data_50241 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50241 _Entry.Title ; Chemical Shifts of Vitronectin Hemopexin-like Domain with DHPC and CaCl2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-21 _Entry.Accession_date 2020-04-21 _Entry.Last_release_date 2020-04-21 _Entry.Original_release_date 2020-04-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Kyungsoo Shin . . . 0000-0003-4836-8798 50241 2 James Kent . E. . . 50241 3 Chandan Singh . . . . 50241 4 Lynn Fujimoto . M. . . 50241 5 Jinghua Yu . . . . 50241 6 Ye Tian . . . . 50241 7 Wonpil Im . . . . 50241 8 Francesca Marassi . M. . . 50241 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50241 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 50241 '15N chemical shifts' 176 50241 '1H chemical shifts' 176 50241 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 3 . . 2020-08-25 2020-04-21 update BMRB 'update entry citation' 50241 2 . . 2020-07-13 2020-04-21 update author 'update entry citation' 50241 1 . . 2020-07-01 2020-04-21 original author 'original release' 50241 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50261 'Vitronectin hemopexin-like domain with DHPC' 50241 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50241 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32699145 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Calcium and hydroxyapatite binding site of human vitronectin provides new insights to abnormal deposit formation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 117 _Citation.Journal_issue 31 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 18504 _Citation.Page_last 18510 _Citation.Year 2020 _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 Kyungsoo Shin . . . . 50241 1 2 James Kent . E. . . 50241 1 3 Chandan Singh . . . . 50241 1 4 Lynn Fujimoto . M. . . 50241 1 5 Jinghua Yu . . . . 50241 1 6 Ye Tian . . . . 50241 1 7 Wonpil Im . . . . 50241 1 8 Francesca Marassi . M. . . 50241 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50241 _Assembly.ID 1 _Assembly.Name 'Vitronectin hemopexin-like domain with CaCl2 and DHPC' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Vitronectin hemopexin-like domain' 1 $entity_1 . . yes native no no . . . 50241 1 2 'Calcium ion, 1' 2 $entity_CA . . no native no no . . . 50241 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 202 202 SG . . . . . . . . . . . . 50241 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50241 _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 ; MELCSGKPFDAFTDLKNGSL FAFRGQYSYELDEKAVRPGY PKLIRDVWGIEGPIDAAFTR INSQGKTYLFKGSQYWRFED GVLDPDYPRNISDGFDGIPD NVDAALALPAHSYSGRERVY FFKGKQYWEYQFQRTSAGTR QPQFISRDWHGVPGQVDAAM AGRISVFFFSGDKYYRVNLR TRRVDTVDPPYPRSIAQYWL GCPA ; _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 204 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50241 1 2 . GLU . 50241 1 3 . LEU . 50241 1 4 . CYS . 50241 1 5 . SER . 50241 1 6 . GLY . 50241 1 7 . LYS . 50241 1 8 . PRO . 50241 1 9 . PHE . 50241 1 10 . ASP . 50241 1 11 . ALA . 50241 1 12 . PHE . 50241 1 13 . THR . 50241 1 14 . ASP . 50241 1 15 . LEU . 50241 1 16 . LYS . 50241 1 17 . ASN . 50241 1 18 . GLY . 50241 1 19 . SER . 50241 1 20 . LEU . 50241 1 21 . PHE . 50241 1 22 . ALA . 50241 1 23 . PHE . 50241 1 24 . ARG . 50241 1 25 . GLY . 50241 1 26 . GLN . 50241 1 27 . TYR . 50241 1 28 . SER . 50241 1 29 . TYR . 50241 1 30 . GLU . 50241 1 31 . LEU . 50241 1 32 . ASP . 50241 1 33 . GLU . 50241 1 34 . LYS . 50241 1 35 . ALA . 50241 1 36 . VAL . 50241 1 37 . ARG . 50241 1 38 . PRO . 50241 1 39 . GLY . 50241 1 40 . TYR . 50241 1 41 . PRO . 50241 1 42 . LYS . 50241 1 43 . LEU . 50241 1 44 . ILE . 50241 1 45 . ARG . 50241 1 46 . ASP . 50241 1 47 . VAL . 50241 1 48 . TRP . 50241 1 49 . GLY . 50241 1 50 . ILE . 50241 1 51 . GLU . 50241 1 52 . GLY . 50241 1 53 . PRO . 50241 1 54 . ILE . 50241 1 55 . ASP . 50241 1 56 . ALA . 50241 1 57 . ALA . 50241 1 58 . PHE . 50241 1 59 . THR . 50241 1 60 . ARG . 50241 1 61 . ILE . 50241 1 62 . ASN . 50241 1 63 . SER . 50241 1 64 . GLN . 50241 1 65 . GLY . 50241 1 66 . LYS . 50241 1 67 . THR . 50241 1 68 . TYR . 50241 1 69 . LEU . 50241 1 70 . PHE . 50241 1 71 . LYS . 50241 1 72 . GLY . 50241 1 73 . SER . 50241 1 74 . GLN . 50241 1 75 . TYR . 50241 1 76 . TRP . 50241 1 77 . ARG . 50241 1 78 . PHE . 50241 1 79 . GLU . 50241 1 80 . ASP . 50241 1 81 . GLY . 50241 1 82 . VAL . 50241 1 83 . LEU . 50241 1 84 . ASP . 50241 1 85 . PRO . 50241 1 86 . ASP . 50241 1 87 . TYR . 50241 1 88 . PRO . 50241 1 89 . ARG . 50241 1 90 . ASN . 50241 1 91 . ILE . 50241 1 92 . SER . 50241 1 93 . ASP . 50241 1 94 . GLY . 50241 1 95 . PHE . 50241 1 96 . ASP . 50241 1 97 . GLY . 50241 1 98 . ILE . 50241 1 99 . PRO . 50241 1 100 . ASP . 50241 1 101 . ASN . 50241 1 102 . VAL . 50241 1 103 . ASP . 50241 1 104 . ALA . 50241 1 105 . ALA . 50241 1 106 . LEU . 50241 1 107 . ALA . 50241 1 108 . LEU . 50241 1 109 . PRO . 50241 1 110 . ALA . 50241 1 111 . HIS . 50241 1 112 . SER . 50241 1 113 . TYR . 50241 1 114 . SER . 50241 1 115 . GLY . 50241 1 116 . ARG . 50241 1 117 . GLU . 50241 1 118 . ARG . 50241 1 119 . VAL . 50241 1 120 . TYR . 50241 1 121 . PHE . 50241 1 122 . PHE . 50241 1 123 . LYS . 50241 1 124 . GLY . 50241 1 125 . LYS . 50241 1 126 . GLN . 50241 1 127 . TYR . 50241 1 128 . TRP . 50241 1 129 . GLU . 50241 1 130 . TYR . 50241 1 131 . GLN . 50241 1 132 . PHE . 50241 1 133 . GLN . 50241 1 134 . ARG . 50241 1 135 . THR . 50241 1 136 . SER . 50241 1 137 . ALA . 50241 1 138 . GLY . 50241 1 139 . THR . 50241 1 140 . ARG . 50241 1 141 . GLN . 50241 1 142 . PRO . 50241 1 143 . GLN . 50241 1 144 . PHE . 50241 1 145 . ILE . 50241 1 146 . SER . 50241 1 147 . ARG . 50241 1 148 . ASP . 50241 1 149 . TRP . 50241 1 150 . HIS . 50241 1 151 . GLY . 50241 1 152 . VAL . 50241 1 153 . PRO . 50241 1 154 . GLY . 50241 1 155 . GLN . 50241 1 156 . VAL . 50241 1 157 . ASP . 50241 1 158 . ALA . 50241 1 159 . ALA . 50241 1 160 . MET . 50241 1 161 . ALA . 50241 1 162 . GLY . 50241 1 163 . ARG . 50241 1 164 . ILE . 50241 1 165 . SER . 50241 1 166 . VAL . 50241 1 167 . PHE . 50241 1 168 . PHE . 50241 1 169 . PHE . 50241 1 170 . SER . 50241 1 171 . GLY . 50241 1 172 . ASP . 50241 1 173 . LYS . 50241 1 174 . TYR . 50241 1 175 . TYR . 50241 1 176 . ARG . 50241 1 177 . VAL . 50241 1 178 . ASN . 50241 1 179 . LEU . 50241 1 180 . ARG . 50241 1 181 . THR . 50241 1 182 . ARG . 50241 1 183 . ARG . 50241 1 184 . VAL . 50241 1 185 . ASP . 50241 1 186 . THR . 50241 1 187 . VAL . 50241 1 188 . ASP . 50241 1 189 . PRO . 50241 1 190 . PRO . 50241 1 191 . TYR . 50241 1 192 . PRO . 50241 1 193 . ARG . 50241 1 194 . SER . 50241 1 195 . ILE . 50241 1 196 . ALA . 50241 1 197 . GLN . 50241 1 198 . TYR . 50241 1 199 . TRP . 50241 1 200 . LEU . 50241 1 201 . GLY . 50241 1 202 . CYS . 50241 1 203 . PRO . 50241 1 204 . ALA . 50241 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 50241 1 . GLU 2 2 50241 1 . LEU 3 3 50241 1 . CYS 4 4 50241 1 . SER 5 5 50241 1 . GLY 6 6 50241 1 . LYS 7 7 50241 1 . PRO 8 8 50241 1 . PHE 9 9 50241 1 . ASP 10 10 50241 1 . ALA 11 11 50241 1 . PHE 12 12 50241 1 . THR 13 13 50241 1 . ASP 14 14 50241 1 . LEU 15 15 50241 1 . LYS 16 16 50241 1 . ASN 17 17 50241 1 . GLY 18 18 50241 1 . SER 19 19 50241 1 . LEU 20 20 50241 1 . PHE 21 21 50241 1 . ALA 22 22 50241 1 . PHE 23 23 50241 1 . ARG 24 24 50241 1 . GLY 25 25 50241 1 . GLN 26 26 50241 1 . TYR 27 27 50241 1 . SER 28 28 50241 1 . TYR 29 29 50241 1 . GLU 30 30 50241 1 . LEU 31 31 50241 1 . ASP 32 32 50241 1 . GLU 33 33 50241 1 . LYS 34 34 50241 1 . ALA 35 35 50241 1 . VAL 36 36 50241 1 . ARG 37 37 50241 1 . PRO 38 38 50241 1 . GLY 39 39 50241 1 . TYR 40 40 50241 1 . PRO 41 41 50241 1 . LYS 42 42 50241 1 . LEU 43 43 50241 1 . ILE 44 44 50241 1 . ARG 45 45 50241 1 . ASP 46 46 50241 1 . VAL 47 47 50241 1 . TRP 48 48 50241 1 . GLY 49 49 50241 1 . ILE 50 50 50241 1 . GLU 51 51 50241 1 . GLY 52 52 50241 1 . PRO 53 53 50241 1 . ILE 54 54 50241 1 . ASP 55 55 50241 1 . ALA 56 56 50241 1 . ALA 57 57 50241 1 . PHE 58 58 50241 1 . THR 59 59 50241 1 . ARG 60 60 50241 1 . ILE 61 61 50241 1 . ASN 62 62 50241 1 . SER 63 63 50241 1 . GLN 64 64 50241 1 . GLY 65 65 50241 1 . LYS 66 66 50241 1 . THR 67 67 50241 1 . TYR 68 68 50241 1 . LEU 69 69 50241 1 . PHE 70 70 50241 1 . LYS 71 71 50241 1 . GLY 72 72 50241 1 . SER 73 73 50241 1 . GLN 74 74 50241 1 . TYR 75 75 50241 1 . TRP 76 76 50241 1 . ARG 77 77 50241 1 . PHE 78 78 50241 1 . GLU 79 79 50241 1 . ASP 80 80 50241 1 . GLY 81 81 50241 1 . VAL 82 82 50241 1 . LEU 83 83 50241 1 . ASP 84 84 50241 1 . PRO 85 85 50241 1 . ASP 86 86 50241 1 . TYR 87 87 50241 1 . PRO 88 88 50241 1 . ARG 89 89 50241 1 . ASN 90 90 50241 1 . ILE 91 91 50241 1 . SER 92 92 50241 1 . ASP 93 93 50241 1 . GLY 94 94 50241 1 . PHE 95 95 50241 1 . ASP 96 96 50241 1 . GLY 97 97 50241 1 . ILE 98 98 50241 1 . PRO 99 99 50241 1 . ASP 100 100 50241 1 . ASN 101 101 50241 1 . VAL 102 102 50241 1 . ASP 103 103 50241 1 . ALA 104 104 50241 1 . ALA 105 105 50241 1 . LEU 106 106 50241 1 . ALA 107 107 50241 1 . LEU 108 108 50241 1 . PRO 109 109 50241 1 . ALA 110 110 50241 1 . HIS 111 111 50241 1 . SER 112 112 50241 1 . TYR 113 113 50241 1 . SER 114 114 50241 1 . GLY 115 115 50241 1 . ARG 116 116 50241 1 . GLU 117 117 50241 1 . ARG 118 118 50241 1 . VAL 119 119 50241 1 . TYR 120 120 50241 1 . PHE 121 121 50241 1 . PHE 122 122 50241 1 . LYS 123 123 50241 1 . GLY 124 124 50241 1 . LYS 125 125 50241 1 . GLN 126 126 50241 1 . TYR 127 127 50241 1 . TRP 128 128 50241 1 . GLU 129 129 50241 1 . TYR 130 130 50241 1 . GLN 131 131 50241 1 . PHE 132 132 50241 1 . GLN 133 133 50241 1 . ARG 134 134 50241 1 . THR 135 135 50241 1 . SER 136 136 50241 1 . ALA 137 137 50241 1 . GLY 138 138 50241 1 . THR 139 139 50241 1 . ARG 140 140 50241 1 . GLN 141 141 50241 1 . PRO 142 142 50241 1 . GLN 143 143 50241 1 . PHE 144 144 50241 1 . ILE 145 145 50241 1 . SER 146 146 50241 1 . ARG 147 147 50241 1 . ASP 148 148 50241 1 . TRP 149 149 50241 1 . HIS 150 150 50241 1 . GLY 151 151 50241 1 . VAL 152 152 50241 1 . PRO 153 153 50241 1 . GLY 154 154 50241 1 . GLN 155 155 50241 1 . VAL 156 156 50241 1 . ASP 157 157 50241 1 . ALA 158 158 50241 1 . ALA 159 159 50241 1 . MET 160 160 50241 1 . ALA 161 161 50241 1 . GLY 162 162 50241 1 . ARG 163 163 50241 1 . ILE 164 164 50241 1 . SER 165 165 50241 1 . VAL 166 166 50241 1 . PHE 167 167 50241 1 . PHE 168 168 50241 1 . PHE 169 169 50241 1 . SER 170 170 50241 1 . GLY 171 171 50241 1 . ASP 172 172 50241 1 . LYS 173 173 50241 1 . TYR 174 174 50241 1 . TYR 175 175 50241 1 . ARG 176 176 50241 1 . VAL 177 177 50241 1 . ASN 178 178 50241 1 . LEU 179 179 50241 1 . ARG 180 180 50241 1 . THR 181 181 50241 1 . ARG 182 182 50241 1 . ARG 183 183 50241 1 . VAL 184 184 50241 1 . ASP 185 185 50241 1 . THR 186 186 50241 1 . VAL 187 187 50241 1 . ASP 188 188 50241 1 . PRO 189 189 50241 1 . PRO 190 190 50241 1 . TYR 191 191 50241 1 . PRO 192 192 50241 1 . ARG 193 193 50241 1 . SER 194 194 50241 1 . ILE 195 195 50241 1 . ALA 196 196 50241 1 . GLN 197 197 50241 1 . TYR 198 198 50241 1 . TRP 199 199 50241 1 . LEU 200 200 50241 1 . GLY 201 201 50241 1 . CYS 202 202 50241 1 . PRO 203 203 50241 1 . ALA 204 204 50241 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 50241 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 50241 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 50241 2 CA 'Three letter code' 50241 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 50241 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50241 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50241 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 50241 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET23a . . . 50241 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 50241 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 50241 CA InChI=1S/Ca/q+2 InChI InChI 1.03 50241 CA [Ca++] SMILES CACTVS 3.341 50241 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 50241 CA [Ca+2] SMILES ACDLabs 10.04 50241 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 50241 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50241 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 50241 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50241 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50241 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50241 _Sample.ID 1 _Sample.Name 'Vitronectin hemopexin-like domain with CaCl2 and DHPC' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Vitronectin hemopexin-like domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 90 . . uM . . . . 50241 1 2 CaCl2 'natural abundance' . . 2 $entity_CA . . 2 . . mM . . . . 50241 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 50241 1 4 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 50241 1 5 DHPC 'natural abundance' . . . . . . 4.5 . . mM . . . . 50241 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 50241 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Conditions 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 50241 1 pressure 1 . atm 50241 1 temperature 303.15 . K 50241 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50241 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50241 1 . 'data analysis' 50241 1 . 'peak picking' 50241 1 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50241 _Software.ID 2 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50241 2 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50241 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50241 3 . processing 50241 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50241 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50241 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50241 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50241 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50241 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50241 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50241 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Water _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . na 0 na indirect . . . . . . 50241 1 H 1 water protons . . . . ppm 4.67 internal direct 1 . . . . . 50241 1 N 15 water protons . . . . na 0 na indirect . . . . . . 50241 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 50241 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Vitronectin hemopexin-like domain with CaCl2 and DHPC' _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 '2D 1H-15N HSQC' . . . 50241 1 2 '3D HNCA' . . . 50241 1 3 '3D HNCO' . . . 50241 1 4 '3D CBCA(CO)NH' . . . 50241 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 . . 50241 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 5 5 SER C C 13 175.942 0.000 . 1 . . . . . 5 SER C . 50241 1 2 . 1 . 1 5 5 SER CA C 13 59.726 0.000 . 1 . . . . . 5 SER CA . 50241 1 3 . 1 . 1 5 5 SER CB C 13 64.421 0.000 . 1 . . . . . 5 SER CB . 50241 1 4 . 1 . 1 6 6 GLY H H 1 9.291 0.010 . 1 . . . . . 6 GLY H . 50241 1 5 . 1 . 1 6 6 GLY C C 13 173.603 0.000 . 1 . . . . . 6 GLY C . 50241 1 6 . 1 . 1 6 6 GLY CA C 13 45.256 0.026 . 1 . . . . . 6 GLY CA . 50241 1 7 . 1 . 1 6 6 GLY N N 15 111.725 0.030 . 1 . . . . . 6 GLY N . 50241 1 8 . 1 . 1 7 7 LYS H H 1 7.545 0.009 . 1 . . . . . 7 LYS H . 50241 1 9 . 1 . 1 7 7 LYS CA C 13 54.987 0.000 . 1 . . . . . 7 LYS CA . 50241 1 10 . 1 . 1 7 7 LYS N N 15 120.323 0.051 . 1 . . . . . 7 LYS N . 50241 1 11 . 1 . 1 8 8 PRO C C 13 176.791 0.000 . 1 . . . . . 8 PRO C . 50241 1 12 . 1 . 1 8 8 PRO CA C 13 63.412 0.000 . 1 . . . . . 8 PRO CA . 50241 1 13 . 1 . 1 8 8 PRO CB C 13 32.477 0.000 . 1 . . . . . 8 PRO CB . 50241 1 14 . 1 . 1 9 9 PHE H H 1 9.499 0.007 . 1 . . . . . 9 PHE H . 50241 1 15 . 1 . 1 9 9 PHE C C 13 173.164 0.000 . 1 . . . . . 9 PHE C . 50241 1 16 . 1 . 1 9 9 PHE CA C 13 59.536 0.078 . 1 . . . . . 9 PHE CA . 50241 1 17 . 1 . 1 9 9 PHE CB C 13 42.288 0.000 . 1 . . . . . 9 PHE CB . 50241 1 18 . 1 . 1 9 9 PHE N N 15 121.066 0.044 . 1 . . . . . 9 PHE N . 50241 1 19 . 1 . 1 10 10 ASP H H 1 9.319 0.008 . 1 . . . . . 10 ASP H . 50241 1 20 . 1 . 1 10 10 ASP C C 13 175.968 0.000 . 1 . . . . . 10 ASP C . 50241 1 21 . 1 . 1 10 10 ASP CA C 13 56.184 0.000 . 1 . . . . . 10 ASP CA . 50241 1 22 . 1 . 1 10 10 ASP CB C 13 43.271 0.000 . 1 . . . . . 10 ASP CB . 50241 1 23 . 1 . 1 10 10 ASP N N 15 115.018 0.040 . 1 . . . . . 10 ASP N . 50241 1 24 . 1 . 1 11 11 ALA H H 1 7.770 0.010 . 1 . . . . . 11 ALA H . 50241 1 25 . 1 . 1 11 11 ALA C C 13 174.636 0.000 . 1 . . . . . 11 ALA C . 50241 1 26 . 1 . 1 11 11 ALA CA C 13 52.289 0.054 . 1 . . . . . 11 ALA CA . 50241 1 27 . 1 . 1 11 11 ALA CB C 13 21.728 0.000 . 1 . . . . . 11 ALA CB . 50241 1 28 . 1 . 1 11 11 ALA N N 15 117.292 0.067 . 1 . . . . . 11 ALA N . 50241 1 29 . 1 . 1 12 12 PHE H H 1 8.828 0.006 . 1 . . . . . 12 PHE H . 50241 1 30 . 1 . 1 12 12 PHE C C 13 176.509 0.000 . 1 . . . . . 12 PHE C . 50241 1 31 . 1 . 1 12 12 PHE CA C 13 57.479 0.034 . 1 . . . . . 12 PHE CA . 50241 1 32 . 1 . 1 12 12 PHE CB C 13 44.752 0.000 . 1 . . . . . 12 PHE CB . 50241 1 33 . 1 . 1 12 12 PHE N N 15 122.263 0.061 . 1 . . . . . 12 PHE N . 50241 1 34 . 1 . 1 13 13 THR H H 1 9.217 0.010 . 1 . . . . . 13 THR H . 50241 1 35 . 1 . 1 13 13 THR C C 13 171.699 0.000 . 1 . . . . . 13 THR C . 50241 1 36 . 1 . 1 13 13 THR CA C 13 61.684 0.026 . 1 . . . . . 13 THR CA . 50241 1 37 . 1 . 1 13 13 THR CB C 13 68.654 0.000 . 1 . . . . . 13 THR CB . 50241 1 38 . 1 . 1 13 13 THR N N 15 110.512 0.040 . 1 . . . . . 13 THR N . 50241 1 39 . 1 . 1 14 14 ASP H H 1 6.643 0.012 . 1 . . . . . 14 ASP H . 50241 1 40 . 1 . 1 14 14 ASP C C 13 176.176 0.000 . 1 . . . . . 14 ASP C . 50241 1 41 . 1 . 1 14 14 ASP CA C 13 55.319 0.037 . 1 . . . . . 14 ASP CA . 50241 1 42 . 1 . 1 14 14 ASP CB C 13 44.468 0.000 . 1 . . . . . 14 ASP CB . 50241 1 43 . 1 . 1 14 14 ASP N N 15 111.979 0.073 . 1 . . . . . 14 ASP N . 50241 1 44 . 1 . 1 15 15 LEU H H 1 7.920 0.019 . 1 . . . . . 15 LEU H . 50241 1 45 . 1 . 1 15 15 LEU C C 13 176.497 0.000 . 1 . . . . . 15 LEU C . 50241 1 46 . 1 . 1 15 15 LEU CA C 13 56.757 0.024 . 1 . . . . . 15 LEU CA . 50241 1 47 . 1 . 1 15 15 LEU CB C 13 44.244 0.000 . 1 . . . . . 15 LEU CB . 50241 1 48 . 1 . 1 15 15 LEU N N 15 120.824 0.036 . 1 . . . . . 15 LEU N . 50241 1 49 . 1 . 1 16 16 LYS H H 1 9.188 0.008 . 1 . . . . . 16 LYS H . 50241 1 50 . 1 . 1 16 16 LYS CA C 13 56.101 0.000 . 1 . . . . . 16 LYS CA . 50241 1 51 . 1 . 1 16 16 LYS N N 15 127.515 0.067 . 1 . . . . . 16 LYS N . 50241 1 52 . 1 . 1 17 17 ASN C C 13 175.978 0.000 . 1 . . . . . 17 ASN C . 50241 1 53 . 1 . 1 17 17 ASN CA C 13 54.548 0.000 . 1 . . . . . 17 ASN CA . 50241 1 54 . 1 . 1 17 17 ASN CB C 13 37.399 0.000 . 1 . . . . . 17 ASN CB . 50241 1 55 . 1 . 1 18 18 GLY H H 1 8.418 0.011 . 1 . . . . . 18 GLY H . 50241 1 56 . 1 . 1 18 18 GLY C C 13 171.968 0.000 . 1 . . . . . 18 GLY C . 50241 1 57 . 1 . 1 18 18 GLY CA C 13 46.267 0.029 . 1 . . . . . 18 GLY CA . 50241 1 58 . 1 . 1 18 18 GLY N N 15 103.144 0.020 . 1 . . . . . 18 GLY N . 50241 1 59 . 1 . 1 19 19 SER H H 1 7.818 0.008 . 1 . . . . . 19 SER H . 50241 1 60 . 1 . 1 19 19 SER C C 13 171.693 0.000 . 1 . . . . . 19 SER C . 50241 1 61 . 1 . 1 19 19 SER CA C 13 56.659 0.011 . 1 . . . . . 19 SER CA . 50241 1 62 . 1 . 1 19 19 SER CB C 13 66.841 0.000 . 1 . . . . . 19 SER CB . 50241 1 63 . 1 . 1 19 19 SER N N 15 113.848 0.010 . 1 . . . . . 19 SER N . 50241 1 64 . 1 . 1 20 20 LEU H H 1 8.616 0.017 . 1 . . . . . 20 LEU H . 50241 1 65 . 1 . 1 20 20 LEU C C 13 173.640 0.000 . 1 . . . . . 20 LEU C . 50241 1 66 . 1 . 1 20 20 LEU CA C 13 55.285 0.063 . 1 . . . . . 20 LEU CA . 50241 1 67 . 1 . 1 20 20 LEU CB C 13 42.479 0.000 . 1 . . . . . 20 LEU CB . 50241 1 68 . 1 . 1 20 20 LEU N N 15 118.118 0.060 . 1 . . . . . 20 LEU N . 50241 1 69 . 1 . 1 21 21 PHE H H 1 8.586 0.012 . 1 . . . . . 21 PHE H . 50241 1 70 . 1 . 1 21 21 PHE C C 13 173.316 0.000 . 1 . . . . . 21 PHE C . 50241 1 71 . 1 . 1 21 21 PHE CA C 13 56.676 0.031 . 1 . . . . . 21 PHE CA . 50241 1 72 . 1 . 1 21 21 PHE CB C 13 42.005 0.000 . 1 . . . . . 21 PHE CB . 50241 1 73 . 1 . 1 21 21 PHE N N 15 116.989 0.036 . 1 . . . . . 21 PHE N . 50241 1 74 . 1 . 1 22 22 ALA H H 1 8.873 0.009 . 1 . . . . . 22 ALA H . 50241 1 75 . 1 . 1 22 22 ALA C C 13 175.547 0.000 . 1 . . . . . 22 ALA C . 50241 1 76 . 1 . 1 22 22 ALA CA C 13 49.457 0.027 . 1 . . . . . 22 ALA CA . 50241 1 77 . 1 . 1 22 22 ALA CB C 13 22.154 0.000 . 1 . . . . . 22 ALA CB . 50241 1 78 . 1 . 1 22 22 ALA N N 15 123.267 0.073 . 1 . . . . . 22 ALA N . 50241 1 79 . 1 . 1 23 23 PHE H H 1 8.814 0.013 . 1 . . . . . 23 PHE H . 50241 1 80 . 1 . 1 23 23 PHE C C 13 175.886 0.000 . 1 . . . . . 23 PHE C . 50241 1 81 . 1 . 1 23 23 PHE CA C 13 56.787 0.002 . 1 . . . . . 23 PHE CA . 50241 1 82 . 1 . 1 23 23 PHE CB C 13 40.657 0.000 . 1 . . . . . 23 PHE CB . 50241 1 83 . 1 . 1 23 23 PHE N N 15 118.305 0.074 . 1 . . . . . 23 PHE N . 50241 1 84 . 1 . 1 24 24 ARG H H 1 9.192 0.013 . 1 . . . . . 24 ARG H . 50241 1 85 . 1 . 1 24 24 ARG C C 13 175.639 0.000 . 1 . . . . . 24 ARG C . 50241 1 86 . 1 . 1 24 24 ARG CA C 13 57.741 0.074 . 1 . . . . . 24 ARG CA . 50241 1 87 . 1 . 1 24 24 ARG CB C 13 33.146 0.000 . 1 . . . . . 24 ARG CB . 50241 1 88 . 1 . 1 24 24 ARG N N 15 124.317 0.035 . 1 . . . . . 24 ARG N . 50241 1 89 . 1 . 1 25 25 GLY H H 1 9.634 0.012 . 1 . . . . . 25 GLY H . 50241 1 90 . 1 . 1 25 25 GLY C C 13 174.875 0.000 . 1 . . . . . 25 GLY C . 50241 1 91 . 1 . 1 25 25 GLY CA C 13 47.174 0.105 . 1 . . . . . 25 GLY CA . 50241 1 92 . 1 . 1 25 25 GLY N N 15 121.588 0.050 . 1 . . . . . 25 GLY N . 50241 1 93 . 1 . 1 26 26 GLN H H 1 8.892 0.006 . 1 . . . . . 26 GLN H . 50241 1 94 . 1 . 1 26 26 GLN C C 13 175.643 0.000 . 1 . . . . . 26 GLN C . 50241 1 95 . 1 . 1 26 26 GLN CA C 13 55.707 0.006 . 1 . . . . . 26 GLN CA . 50241 1 96 . 1 . 1 26 26 GLN CB C 13 28.316 0.000 . 1 . . . . . 26 GLN CB . 50241 1 97 . 1 . 1 26 26 GLN N N 15 123.875 0.029 . 1 . . . . . 26 GLN N . 50241 1 98 . 1 . 1 27 27 TYR H H 1 8.291 0.011 . 1 . . . . . 27 TYR H . 50241 1 99 . 1 . 1 27 27 TYR C C 13 174.667 0.000 . 1 . . . . . 27 TYR C . 50241 1 100 . 1 . 1 27 27 TYR CA C 13 59.510 0.024 . 1 . . . . . 27 TYR CA . 50241 1 101 . 1 . 1 27 27 TYR N N 15 119.739 0.052 . 1 . . . . . 27 TYR N . 50241 1 102 . 1 . 1 28 28 SER H H 1 8.885 0.011 . 1 . . . . . 28 SER H . 50241 1 103 . 1 . 1 28 28 SER C C 13 173.587 0.000 . 1 . . . . . 28 SER C . 50241 1 104 . 1 . 1 28 28 SER CA C 13 56.071 0.015 . 1 . . . . . 28 SER CA . 50241 1 105 . 1 . 1 28 28 SER CB C 13 65.509 0.000 . 1 . . . . . 28 SER CB . 50241 1 106 . 1 . 1 28 28 SER N N 15 117.068 0.038 . 1 . . . . . 28 SER N . 50241 1 107 . 1 . 1 29 29 TYR H H 1 9.535 0.015 . 1 . . . . . 29 TYR H . 50241 1 108 . 1 . 1 29 29 TYR C C 13 174.927 0.000 . 1 . . . . . 29 TYR C . 50241 1 109 . 1 . 1 29 29 TYR CA C 13 56.285 0.088 . 1 . . . . . 29 TYR CA . 50241 1 110 . 1 . 1 29 29 TYR CB C 13 44.582 0.000 . 1 . . . . . 29 TYR CB . 50241 1 111 . 1 . 1 29 29 TYR N N 15 126.006 0.064 . 1 . . . . . 29 TYR N . 50241 1 112 . 1 . 1 30 30 GLU H H 1 8.734 0.004 . 1 . . . . . 30 GLU H . 50241 1 113 . 1 . 1 30 30 GLU C C 13 175.524 0.000 . 1 . . . . . 30 GLU C . 50241 1 114 . 1 . 1 30 30 GLU CA C 13 55.672 0.022 . 1 . . . . . 30 GLU CA . 50241 1 115 . 1 . 1 30 30 GLU CB C 13 29.971 0.000 . 1 . . . . . 30 GLU CB . 50241 1 116 . 1 . 1 30 30 GLU N N 15 121.014 0.049 . 1 . . . . . 30 GLU N . 50241 1 117 . 1 . 1 31 31 LEU H H 1 8.665 0.011 . 1 . . . . . 31 LEU H . 50241 1 118 . 1 . 1 31 31 LEU C C 13 174.223 0.000 . 1 . . . . . 31 LEU C . 50241 1 119 . 1 . 1 31 31 LEU CA C 13 54.251 0.010 . 1 . . . . . 31 LEU CA . 50241 1 120 . 1 . 1 31 31 LEU CB C 13 43.491 0.000 . 1 . . . . . 31 LEU CB . 50241 1 121 . 1 . 1 31 31 LEU N N 15 128.759 0.065 . 1 . . . . . 31 LEU N . 50241 1 122 . 1 . 1 32 32 ASP H H 1 8.208 0.003 . 1 . . . . . 32 ASP H . 50241 1 123 . 1 . 1 32 32 ASP C C 13 176.794 0.000 . 1 . . . . . 32 ASP C . 50241 1 124 . 1 . 1 32 32 ASP CA C 13 52.480 0.067 . 1 . . . . . 32 ASP CA . 50241 1 125 . 1 . 1 32 32 ASP CB C 13 44.830 0.000 . 1 . . . . . 32 ASP CB . 50241 1 126 . 1 . 1 32 32 ASP N N 15 121.056 0.043 . 1 . . . . . 32 ASP N . 50241 1 127 . 1 . 1 33 33 GLU H H 1 8.821 0.007 . 1 . . . . . 33 GLU H . 50241 1 128 . 1 . 1 33 33 GLU C C 13 176.811 0.000 . 1 . . . . . 33 GLU C . 50241 1 129 . 1 . 1 33 33 GLU CA C 13 58.705 0.028 . 1 . . . . . 33 GLU CA . 50241 1 130 . 1 . 1 33 33 GLU CB C 13 29.880 0.000 . 1 . . . . . 33 GLU CB . 50241 1 131 . 1 . 1 33 33 GLU N N 15 124.086 0.043 . 1 . . . . . 33 GLU N . 50241 1 132 . 1 . 1 34 34 LYS H H 1 8.730 0.008 . 1 . . . . . 34 LYS H . 50241 1 133 . 1 . 1 34 34 LYS C C 13 176.504 0.000 . 1 . . . . . 34 LYS C . 50241 1 134 . 1 . 1 34 34 LYS CA C 13 56.208 0.003 . 1 . . . . . 34 LYS CA . 50241 1 135 . 1 . 1 34 34 LYS CB C 13 31.998 0.000 . 1 . . . . . 34 LYS CB . 50241 1 136 . 1 . 1 34 34 LYS N N 15 117.788 0.054 . 1 . . . . . 34 LYS N . 50241 1 137 . 1 . 1 35 35 ALA H H 1 7.763 0.008 . 1 . . . . . 35 ALA H . 50241 1 138 . 1 . 1 35 35 ALA C C 13 177.473 0.000 . 1 . . . . . 35 ALA C . 50241 1 139 . 1 . 1 35 35 ALA CA C 13 51.820 0.013 . 1 . . . . . 35 ALA CA . 50241 1 140 . 1 . 1 35 35 ALA CB C 13 20.459 0.000 . 1 . . . . . 35 ALA CB . 50241 1 141 . 1 . 1 35 35 ALA N N 15 123.261 0.065 . 1 . . . . . 35 ALA N . 50241 1 142 . 1 . 1 36 36 VAL H H 1 8.274 0.007 . 1 . . . . . 36 VAL H . 50241 1 143 . 1 . 1 36 36 VAL C C 13 175.813 0.000 . 1 . . . . . 36 VAL C . 50241 1 144 . 1 . 1 36 36 VAL CA C 13 63.645 0.063 . 1 . . . . . 36 VAL CA . 50241 1 145 . 1 . 1 36 36 VAL CB C 13 31.858 0.000 . 1 . . . . . 36 VAL CB . 50241 1 146 . 1 . 1 36 36 VAL N N 15 116.346 0.039 . 1 . . . . . 36 VAL N . 50241 1 147 . 1 . 1 37 37 ARG H H 1 7.699 0.007 . 1 . . . . . 37 ARG H . 50241 1 148 . 1 . 1 37 37 ARG CA C 13 53.130 0.000 . 1 . . . . . 37 ARG CA . 50241 1 149 . 1 . 1 37 37 ARG N N 15 118.331 0.036 . 1 . . . . . 37 ARG N . 50241 1 150 . 1 . 1 38 38 PRO C C 13 176.736 0.000 . 1 . . . . . 38 PRO C . 50241 1 151 . 1 . 1 38 38 PRO CA C 13 62.984 0.001 . 1 . . . . . 38 PRO CA . 50241 1 152 . 1 . 1 38 38 PRO CB C 13 32.162 0.000 . 1 . . . . . 38 PRO CB . 50241 1 153 . 1 . 1 39 39 GLY H H 1 8.288 0.006 . 1 . . . . . 39 GLY H . 50241 1 154 . 1 . 1 39 39 GLY C C 13 172.988 0.000 . 1 . . . . . 39 GLY C . 50241 1 155 . 1 . 1 39 39 GLY CA C 13 44.952 0.010 . 1 . . . . . 39 GLY CA . 50241 1 156 . 1 . 1 39 39 GLY N N 15 108.291 0.054 . 1 . . . . . 39 GLY N . 50241 1 157 . 1 . 1 40 40 TYR H H 1 8.095 0.009 . 1 . . . . . 40 TYR H . 50241 1 158 . 1 . 1 40 40 TYR CA C 13 56.437 0.000 . 1 . . . . . 40 TYR CA . 50241 1 159 . 1 . 1 40 40 TYR N N 15 120.851 0.042 . 1 . . . . . 40 TYR N . 50241 1 160 . 1 . 1 41 41 PRO C C 13 175.728 0.000 . 1 . . . . . 41 PRO C . 50241 1 161 . 1 . 1 41 41 PRO CA C 13 62.104 0.000 . 1 . . . . . 41 PRO CA . 50241 1 162 . 1 . 1 41 41 PRO CB C 13 31.073 0.000 . 1 . . . . . 41 PRO CB . 50241 1 163 . 1 . 1 42 42 LYS H H 1 7.670 0.011 . 1 . . . . . 42 LYS H . 50241 1 164 . 1 . 1 42 42 LYS C C 13 174.879 0.000 . 1 . . . . . 42 LYS C . 50241 1 165 . 1 . 1 42 42 LYS CA C 13 52.792 0.026 . 1 . . . . . 42 LYS CA . 50241 1 166 . 1 . 1 42 42 LYS CB C 13 31.704 0.000 . 1 . . . . . 42 LYS CB . 50241 1 167 . 1 . 1 42 42 LYS N N 15 118.113 0.057 . 1 . . . . . 42 LYS N . 50241 1 168 . 1 . 1 43 43 LEU H H 1 8.903 0.007 . 1 . . . . . 43 LEU H . 50241 1 169 . 1 . 1 43 43 LEU C C 13 177.393 0.000 . 1 . . . . . 43 LEU C . 50241 1 170 . 1 . 1 43 43 LEU CA C 13 58.995 0.012 . 1 . . . . . 43 LEU CA . 50241 1 171 . 1 . 1 43 43 LEU CB C 13 39.668 0.000 . 1 . . . . . 43 LEU CB . 50241 1 172 . 1 . 1 43 43 LEU N N 15 119.732 0.031 . 1 . . . . . 43 LEU N . 50241 1 173 . 1 . 1 44 44 ILE H H 1 8.771 0.010 . 1 . . . . . 44 ILE H . 50241 1 174 . 1 . 1 44 44 ILE C C 13 179.000 0.000 . 1 . . . . . 44 ILE C . 50241 1 175 . 1 . 1 44 44 ILE CA C 13 66.631 0.006 . 1 . . . . . 44 ILE CA . 50241 1 176 . 1 . 1 44 44 ILE CB C 13 38.460 0.000 . 1 . . . . . 44 ILE CB . 50241 1 177 . 1 . 1 44 44 ILE N N 15 124.854 0.064 . 1 . . . . . 44 ILE N . 50241 1 178 . 1 . 1 45 45 ARG H H 1 8.824 0.012 . 1 . . . . . 45 ARG H . 50241 1 179 . 1 . 1 45 45 ARG C C 13 177.858 0.000 . 1 . . . . . 45 ARG C . 50241 1 180 . 1 . 1 45 45 ARG CA C 13 58.951 0.000 . 1 . . . . . 45 ARG CA . 50241 1 181 . 1 . 1 45 45 ARG CB C 13 29.687 0.000 . 1 . . . . . 45 ARG CB . 50241 1 182 . 1 . 1 45 45 ARG N N 15 118.727 0.051 . 1 . . . . . 45 ARG N . 50241 1 183 . 1 . 1 46 46 ASP H H 1 6.940 0.006 . 1 . . . . . 46 ASP H . 50241 1 184 . 1 . 1 46 46 ASP C C 13 176.815 0.000 . 1 . . . . . 46 ASP C . 50241 1 185 . 1 . 1 46 46 ASP CA C 13 56.359 0.022 . 1 . . . . . 46 ASP CA . 50241 1 186 . 1 . 1 46 46 ASP CB C 13 40.967 0.000 . 1 . . . . . 46 ASP CB . 50241 1 187 . 1 . 1 46 46 ASP N N 15 118.188 0.040 . 1 . . . . . 46 ASP N . 50241 1 188 . 1 . 1 47 47 VAL H H 1 7.569 0.009 . 1 . . . . . 47 VAL H . 50241 1 189 . 1 . 1 47 47 VAL C C 13 176.589 0.000 . 1 . . . . . 47 VAL C . 50241 1 190 . 1 . 1 47 47 VAL CA C 13 64.984 0.041 . 1 . . . . . 47 VAL CA . 50241 1 191 . 1 . 1 47 47 VAL CB C 13 34.282 0.000 . 1 . . . . . 47 VAL CB . 50241 1 192 . 1 . 1 47 47 VAL N N 15 118.892 0.033 . 1 . . . . . 47 VAL N . 50241 1 193 . 1 . 1 48 48 TRP H H 1 8.695 0.011 . 1 . . . . . 48 TRP H . 50241 1 194 . 1 . 1 48 48 TRP C C 13 176.230 0.000 . 1 . . . . . 48 TRP C . 50241 1 195 . 1 . 1 48 48 TRP CA C 13 56.079 0.003 . 1 . . . . . 48 TRP CA . 50241 1 196 . 1 . 1 48 48 TRP CB C 13 29.934 0.000 . 1 . . . . . 48 TRP CB . 50241 1 197 . 1 . 1 48 48 TRP N N 15 118.095 0.084 . 1 . . . . . 48 TRP N . 50241 1 198 . 1 . 1 49 49 GLY H H 1 7.118 0.008 . 1 . . . . . 49 GLY H . 50241 1 199 . 1 . 1 49 49 GLY C C 13 173.312 0.000 . 1 . . . . . 49 GLY C . 50241 1 200 . 1 . 1 49 49 GLY CA C 13 46.242 0.003 . 1 . . . . . 49 GLY CA . 50241 1 201 . 1 . 1 49 49 GLY N N 15 104.385 0.038 . 1 . . . . . 49 GLY N . 50241 1 202 . 1 . 1 50 50 ILE H H 1 6.564 0.006 . 1 . . . . . 50 ILE H . 50241 1 203 . 1 . 1 50 50 ILE C C 13 172.592 0.000 . 1 . . . . . 50 ILE C . 50241 1 204 . 1 . 1 50 50 ILE CA C 13 58.662 0.030 . 1 . . . . . 50 ILE CA . 50241 1 205 . 1 . 1 50 50 ILE CB C 13 41.678 0.000 . 1 . . . . . 50 ILE CB . 50241 1 206 . 1 . 1 50 50 ILE N N 15 113.360 0.066 . 1 . . . . . 50 ILE N . 50241 1 207 . 1 . 1 51 51 GLU H H 1 7.726 0.008 . 1 . . . . . 51 GLU H . 50241 1 208 . 1 . 1 51 51 GLU C C 13 178.114 0.000 . 1 . . . . . 51 GLU C . 50241 1 209 . 1 . 1 51 51 GLU CA C 13 55.379 0.007 . 1 . . . . . 51 GLU CA . 50241 1 210 . 1 . 1 51 51 GLU CB C 13 30.796 0.000 . 1 . . . . . 51 GLU CB . 50241 1 211 . 1 . 1 51 51 GLU N N 15 116.919 0.026 . 1 . . . . . 51 GLU N . 50241 1 212 . 1 . 1 52 52 GLY H H 1 8.282 0.011 . 1 . . . . . 52 GLY H . 50241 1 213 . 1 . 1 52 52 GLY CA C 13 43.495 0.000 . 1 . . . . . 52 GLY CA . 50241 1 214 . 1 . 1 52 52 GLY N N 15 107.829 0.074 . 1 . . . . . 52 GLY N . 50241 1 215 . 1 . 1 53 53 PRO C C 13 175.982 0.000 . 1 . . . . . 53 PRO C . 50241 1 216 . 1 . 1 53 53 PRO CA C 13 61.715 0.000 . 1 . . . . . 53 PRO CA . 50241 1 217 . 1 . 1 53 53 PRO CB C 13 35.236 0.000 . 1 . . . . . 53 PRO CB . 50241 1 218 . 1 . 1 54 54 ILE H H 1 9.071 0.008 . 1 . . . . . 54 ILE H . 50241 1 219 . 1 . 1 54 54 ILE C C 13 175.197 0.000 . 1 . . . . . 54 ILE C . 50241 1 220 . 1 . 1 54 54 ILE CA C 13 58.227 0.008 . 1 . . . . . 54 ILE CA . 50241 1 221 . 1 . 1 54 54 ILE N N 15 120.110 0.086 . 1 . . . . . 54 ILE N . 50241 1 222 . 1 . 1 55 55 ASP H H 1 8.782 0.006 . 1 . . . . . 55 ASP H . 50241 1 223 . 1 . 1 55 55 ASP C C 13 176.970 0.000 . 1 . . . . . 55 ASP C . 50241 1 224 . 1 . 1 55 55 ASP CA C 13 56.310 0.080 . 1 . . . . . 55 ASP CA . 50241 1 225 . 1 . 1 55 55 ASP CB C 13 42.542 0.000 . 1 . . . . . 55 ASP CB . 50241 1 226 . 1 . 1 55 55 ASP N N 15 122.785 0.055 . 1 . . . . . 55 ASP N . 50241 1 227 . 1 . 1 56 56 ALA H H 1 8.199 0.008 . 1 . . . . . 56 ALA H . 50241 1 228 . 1 . 1 56 56 ALA C C 13 174.864 0.000 . 1 . . . . . 56 ALA C . 50241 1 229 . 1 . 1 56 56 ALA CA C 13 51.705 0.058 . 1 . . . . . 56 ALA CA . 50241 1 230 . 1 . 1 56 56 ALA CB C 13 22.564 0.000 . 1 . . . . . 56 ALA CB . 50241 1 231 . 1 . 1 56 56 ALA N N 15 117.752 0.043 . 1 . . . . . 56 ALA N . 50241 1 232 . 1 . 1 57 57 ALA H H 1 9.058 0.008 . 1 . . . . . 57 ALA H . 50241 1 233 . 1 . 1 57 57 ALA C C 13 174.380 0.000 . 1 . . . . . 57 ALA C . 50241 1 234 . 1 . 1 57 57 ALA CA C 13 51.727 0.040 . 1 . . . . . 57 ALA CA . 50241 1 235 . 1 . 1 57 57 ALA CB C 13 23.074 0.000 . 1 . . . . . 57 ALA CB . 50241 1 236 . 1 . 1 57 57 ALA N N 15 123.287 0.021 . 1 . . . . . 57 ALA N . 50241 1 237 . 1 . 1 58 58 PHE H H 1 8.483 0.007 . 1 . . . . . 58 PHE H . 50241 1 238 . 1 . 1 58 58 PHE CA C 13 55.677 0.000 . 1 . . . . . 58 PHE CA . 50241 1 239 . 1 . 1 58 58 PHE N N 15 114.572 0.056 . 1 . . . . . 58 PHE N . 50241 1 240 . 1 . 1 59 59 THR C C 13 172.978 0.000 . 1 . . . . . 59 THR C . 50241 1 241 . 1 . 1 59 59 THR CA C 13 62.192 0.000 . 1 . . . . . 59 THR CA . 50241 1 242 . 1 . 1 59 59 THR CB C 13 72.832 0.000 . 1 . . . . . 59 THR CB . 50241 1 243 . 1 . 1 60 60 ARG H H 1 9.134 0.007 . 1 . . . . . 60 ARG H . 50241 1 244 . 1 . 1 60 60 ARG CA C 13 55.642 0.000 . 1 . . . . . 60 ARG CA . 50241 1 245 . 1 . 1 60 60 ARG N N 15 125.752 0.053 . 1 . . . . . 60 ARG N . 50241 1 246 . 1 . 1 61 61 ILE C C 13 178.710 0.000 . 1 . . . . . 61 ILE C . 50241 1 247 . 1 . 1 61 61 ILE CA C 13 58.758 0.000 . 1 . . . . . 61 ILE CA . 50241 1 248 . 1 . 1 61 61 ILE CB C 13 42.734 0.000 . 1 . . . . . 61 ILE CB . 50241 1 249 . 1 . 1 62 62 ASN H H 1 8.462 0.008 . 1 . . . . . 62 ASN H . 50241 1 250 . 1 . 1 62 62 ASN C C 13 175.550 0.000 . 1 . . . . . 62 ASN C . 50241 1 251 . 1 . 1 62 62 ASN CA C 13 53.625 0.009 . 1 . . . . . 62 ASN CA . 50241 1 252 . 1 . 1 62 62 ASN CB C 13 39.990 0.000 . 1 . . . . . 62 ASN CB . 50241 1 253 . 1 . 1 62 62 ASN N N 15 114.757 0.056 . 1 . . . . . 62 ASN N . 50241 1 254 . 1 . 1 63 63 SER H H 1 7.402 0.007 . 1 . . . . . 63 SER H . 50241 1 255 . 1 . 1 63 63 SER C C 13 174.911 0.000 . 1 . . . . . 63 SER C . 50241 1 256 . 1 . 1 63 63 SER CA C 13 59.825 0.029 . 1 . . . . . 63 SER CA . 50241 1 257 . 1 . 1 63 63 SER CB C 13 62.706 0.000 . 1 . . . . . 63 SER CB . 50241 1 258 . 1 . 1 63 63 SER N N 15 115.823 0.023 . 1 . . . . . 63 SER N . 50241 1 259 . 1 . 1 64 64 GLN H H 1 8.199 0.007 . 1 . . . . . 64 GLN H . 50241 1 260 . 1 . 1 64 64 GLN C C 13 176.241 0.000 . 1 . . . . . 64 GLN C . 50241 1 261 . 1 . 1 64 64 GLN CA C 13 56.758 0.005 . 1 . . . . . 64 GLN CA . 50241 1 262 . 1 . 1 64 64 GLN CB C 13 28.676 0.000 . 1 . . . . . 64 GLN CB . 50241 1 263 . 1 . 1 64 64 GLN N N 15 118.749 0.054 . 1 . . . . . 64 GLN N . 50241 1 264 . 1 . 1 65 65 GLY H H 1 7.848 0.007 . 1 . . . . . 65 GLY H . 50241 1 265 . 1 . 1 65 65 GLY C C 13 175.040 0.000 . 1 . . . . . 65 GLY C . 50241 1 266 . 1 . 1 65 65 GLY CA C 13 47.188 0.000 . 1 . . . . . 65 GLY CA . 50241 1 267 . 1 . 1 65 65 GLY N N 15 106.749 0.041 . 1 . . . . . 65 GLY N . 50241 1 268 . 1 . 1 66 66 LYS H H 1 8.216 0.006 . 1 . . . . . 66 LYS H . 50241 1 269 . 1 . 1 66 66 LYS C C 13 174.766 0.000 . 1 . . . . . 66 LYS C . 50241 1 270 . 1 . 1 66 66 LYS CA C 13 55.957 0.029 . 1 . . . . . 66 LYS CA . 50241 1 271 . 1 . 1 66 66 LYS CB C 13 33.901 0.000 . 1 . . . . . 66 LYS CB . 50241 1 272 . 1 . 1 66 66 LYS N N 15 119.910 0.036 . 1 . . . . . 66 LYS N . 50241 1 273 . 1 . 1 67 67 THR H H 1 9.068 0.009 . 1 . . . . . 67 THR H . 50241 1 274 . 1 . 1 67 67 THR C C 13 172.516 0.000 . 1 . . . . . 67 THR C . 50241 1 275 . 1 . 1 67 67 THR CA C 13 63.075 0.044 . 1 . . . . . 67 THR CA . 50241 1 276 . 1 . 1 67 67 THR CB C 13 71.804 0.000 . 1 . . . . . 67 THR CB . 50241 1 277 . 1 . 1 67 67 THR N N 15 119.841 0.024 . 1 . . . . . 67 THR N . 50241 1 278 . 1 . 1 68 68 TYR H H 1 9.420 0.007 . 1 . . . . . 68 TYR H . 50241 1 279 . 1 . 1 68 68 TYR C C 13 173.921 0.000 . 1 . . . . . 68 TYR C . 50241 1 280 . 1 . 1 68 68 TYR CA C 13 56.118 0.012 . 1 . . . . . 68 TYR CA . 50241 1 281 . 1 . 1 68 68 TYR CB C 13 40.483 0.000 . 1 . . . . . 68 TYR CB . 50241 1 282 . 1 . 1 68 68 TYR N N 15 128.321 0.039 . 1 . . . . . 68 TYR N . 50241 1 283 . 1 . 1 69 69 LEU H H 1 8.604 0.006 . 1 . . . . . 69 LEU H . 50241 1 284 . 1 . 1 69 69 LEU C C 13 175.543 0.000 . 1 . . . . . 69 LEU C . 50241 1 285 . 1 . 1 69 69 LEU CA C 13 53.704 0.016 . 1 . . . . . 69 LEU CA . 50241 1 286 . 1 . 1 69 69 LEU CB C 13 44.495 0.000 . 1 . . . . . 69 LEU CB . 50241 1 287 . 1 . 1 69 69 LEU N N 15 119.439 0.080 . 1 . . . . . 69 LEU N . 50241 1 288 . 1 . 1 70 70 PHE H H 1 8.634 0.007 . 1 . . . . . 70 PHE H . 50241 1 289 . 1 . 1 70 70 PHE C C 13 175.589 0.000 . 1 . . . . . 70 PHE C . 50241 1 290 . 1 . 1 70 70 PHE CA C 13 57.737 0.041 . 1 . . . . . 70 PHE CA . 50241 1 291 . 1 . 1 70 70 PHE CB C 13 41.347 0.000 . 1 . . . . . 70 PHE CB . 50241 1 292 . 1 . 1 70 70 PHE N N 15 119.503 0.066 . 1 . . . . . 70 PHE N . 50241 1 293 . 1 . 1 71 71 LYS H H 1 9.262 0.005 . 1 . . . . . 71 LYS H . 50241 1 294 . 1 . 1 71 71 LYS C C 13 176.272 0.000 . 1 . . . . . 71 LYS C . 50241 1 295 . 1 . 1 71 71 LYS CA C 13 57.680 0.000 . 1 . . . . . 71 LYS CA . 50241 1 296 . 1 . 1 71 71 LYS CB C 13 35.798 0.000 . 1 . . . . . 71 LYS CB . 50241 1 297 . 1 . 1 71 71 LYS N N 15 122.026 0.020 . 1 . . . . . 71 LYS N . 50241 1 298 . 1 . 1 72 72 GLY H H 1 10.040 0.008 . 1 . . . . . 72 GLY H . 50241 1 299 . 1 . 1 72 72 GLY C C 13 175.394 0.000 . 1 . . . . . 72 GLY C . 50241 1 300 . 1 . 1 72 72 GLY CA C 13 47.600 0.024 . 1 . . . . . 72 GLY CA . 50241 1 301 . 1 . 1 72 72 GLY N N 15 121.371 0.037 . 1 . . . . . 72 GLY N . 50241 1 302 . 1 . 1 73 73 SER H H 1 9.127 0.008 . 1 . . . . . 73 SER H . 50241 1 303 . 1 . 1 73 73 SER C C 13 174.709 0.000 . 1 . . . . . 73 SER C . 50241 1 304 . 1 . 1 73 73 SER CA C 13 58.403 0.003 . 1 . . . . . 73 SER CA . 50241 1 305 . 1 . 1 73 73 SER CB C 13 64.563 0.000 . 1 . . . . . 73 SER CB . 50241 1 306 . 1 . 1 73 73 SER N N 15 124.322 0.037 . 1 . . . . . 73 SER N . 50241 1 307 . 1 . 1 74 74 GLN H H 1 8.354 0.007 . 1 . . . . . 74 GLN H . 50241 1 308 . 1 . 1 74 74 GLN C C 13 172.989 0.000 . 1 . . . . . 74 GLN C . 50241 1 309 . 1 . 1 74 74 GLN CA C 13 55.285 0.052 . 1 . . . . . 74 GLN CA . 50241 1 310 . 1 . 1 74 74 GLN CB C 13 35.655 0.000 . 1 . . . . . 74 GLN CB . 50241 1 311 . 1 . 1 74 74 GLN N N 15 121.732 0.047 . 1 . . . . . 74 GLN N . 50241 1 312 . 1 . 1 75 75 TYR H H 1 8.733 0.007 . 1 . . . . . 75 TYR H . 50241 1 313 . 1 . 1 75 75 TYR C C 13 171.584 0.000 . 1 . . . . . 75 TYR C . 50241 1 314 . 1 . 1 75 75 TYR CA C 13 56.205 0.003 . 1 . . . . . 75 TYR CA . 50241 1 315 . 1 . 1 75 75 TYR CB C 13 41.844 0.000 . 1 . . . . . 75 TYR CB . 50241 1 316 . 1 . 1 75 75 TYR N N 15 114.288 0.050 . 1 . . . . . 75 TYR N . 50241 1 317 . 1 . 1 76 76 TRP H H 1 9.112 0.008 . 1 . . . . . 76 TRP H . 50241 1 318 . 1 . 1 76 76 TRP CA C 13 58.682 0.000 . 1 . . . . . 76 TRP CA . 50241 1 319 . 1 . 1 76 76 TRP N N 15 120.514 0.075 . 1 . . . . . 76 TRP N . 50241 1 320 . 1 . 1 77 77 ARG C C 13 172.050 0.000 . 1 . . . . . 77 ARG C . 50241 1 321 . 1 . 1 77 77 ARG CA C 13 53.749 0.000 . 1 . . . . . 77 ARG CA . 50241 1 322 . 1 . 1 77 77 ARG CB C 13 34.332 0.000 . 1 . . . . . 77 ARG CB . 50241 1 323 . 1 . 1 78 78 PHE H H 1 9.355 0.011 . 1 . . . . . 78 PHE H . 50241 1 324 . 1 . 1 78 78 PHE C C 13 174.499 0.000 . 1 . . . . . 78 PHE C . 50241 1 325 . 1 . 1 78 78 PHE CA C 13 56.387 0.014 . 1 . . . . . 78 PHE CA . 50241 1 326 . 1 . 1 78 78 PHE CB C 13 40.188 0.000 . 1 . . . . . 78 PHE CB . 50241 1 327 . 1 . 1 78 78 PHE N N 15 123.593 0.028 . 1 . . . . . 78 PHE N . 50241 1 328 . 1 . 1 79 79 GLU H H 1 8.568 0.010 . 1 . . . . . 79 GLU H . 50241 1 329 . 1 . 1 79 79 GLU C C 13 175.994 0.000 . 1 . . . . . 79 GLU C . 50241 1 330 . 1 . 1 79 79 GLU CA C 13 55.505 0.000 . 1 . . . . . 79 GLU CA . 50241 1 331 . 1 . 1 79 79 GLU CB C 13 32.342 0.000 . 1 . . . . . 79 GLU CB . 50241 1 332 . 1 . 1 79 79 GLU N N 15 124.293 0.056 . 1 . . . . . 79 GLU N . 50241 1 333 . 1 . 1 80 80 ASP H H 1 9.395 0.012 . 1 . . . . . 80 ASP H . 50241 1 334 . 1 . 1 80 80 ASP C C 13 175.760 0.000 . 1 . . . . . 80 ASP C . 50241 1 335 . 1 . 1 80 80 ASP CA C 13 55.724 0.040 . 1 . . . . . 80 ASP CA . 50241 1 336 . 1 . 1 80 80 ASP CB C 13 40.017 0.000 . 1 . . . . . 80 ASP CB . 50241 1 337 . 1 . 1 80 80 ASP N N 15 129.904 0.063 . 1 . . . . . 80 ASP N . 50241 1 338 . 1 . 1 81 81 GLY H H 1 8.828 0.007 . 1 . . . . . 81 GLY H . 50241 1 339 . 1 . 1 81 81 GLY C C 13 173.604 0.000 . 1 . . . . . 81 GLY C . 50241 1 340 . 1 . 1 81 81 GLY CA C 13 45.261 0.037 . 1 . . . . . 81 GLY CA . 50241 1 341 . 1 . 1 81 81 GLY N N 15 102.503 0.065 . 1 . . . . . 81 GLY N . 50241 1 342 . 1 . 1 82 82 VAL H H 1 7.937 0.008 . 1 . . . . . 82 VAL H . 50241 1 343 . 1 . 1 82 82 VAL C C 13 176.503 0.000 . 1 . . . . . 82 VAL C . 50241 1 344 . 1 . 1 82 82 VAL CA C 13 61.687 0.025 . 1 . . . . . 82 VAL CA . 50241 1 345 . 1 . 1 82 82 VAL CB C 13 33.478 0.000 . 1 . . . . . 82 VAL CB . 50241 1 346 . 1 . 1 82 82 VAL N N 15 121.988 0.030 . 1 . . . . . 82 VAL N . 50241 1 347 . 1 . 1 83 83 LEU H H 1 9.039 0.008 . 1 . . . . . 83 LEU H . 50241 1 348 . 1 . 1 83 83 LEU C C 13 176.145 0.000 . 1 . . . . . 83 LEU C . 50241 1 349 . 1 . 1 83 83 LEU CA C 13 56.026 0.004 . 1 . . . . . 83 LEU CA . 50241 1 350 . 1 . 1 83 83 LEU CB C 13 41.777 0.000 . 1 . . . . . 83 LEU CB . 50241 1 351 . 1 . 1 83 83 LEU N N 15 133.675 0.049 . 1 . . . . . 83 LEU N . 50241 1 352 . 1 . 1 84 84 ASP H H 1 8.439 0.008 . 1 . . . . . 84 ASP H . 50241 1 353 . 1 . 1 84 84 ASP CA C 13 53.434 0.000 . 1 . . . . . 84 ASP CA . 50241 1 354 . 1 . 1 84 84 ASP N N 15 129.593 0.024 . 1 . . . . . 84 ASP N . 50241 1 355 . 1 . 1 85 85 PRO C C 13 176.988 0.000 . 1 . . . . . 85 PRO C . 50241 1 356 . 1 . 1 85 85 PRO CA C 13 63.393 0.000 . 1 . . . . . 85 PRO CA . 50241 1 357 . 1 . 1 85 85 PRO CB C 13 31.853 0.000 . 1 . . . . . 85 PRO CB . 50241 1 358 . 1 . 1 86 86 ASP H H 1 8.576 0.009 . 1 . . . . . 86 ASP H . 50241 1 359 . 1 . 1 86 86 ASP C C 13 173.865 0.000 . 1 . . . . . 86 ASP C . 50241 1 360 . 1 . 1 86 86 ASP CA C 13 55.748 0.000 . 1 . . . . . 86 ASP CA . 50241 1 361 . 1 . 1 86 86 ASP CB C 13 38.746 0.000 . 1 . . . . . 86 ASP CB . 50241 1 362 . 1 . 1 86 86 ASP N N 15 115.227 0.045 . 1 . . . . . 86 ASP N . 50241 1 363 . 1 . 1 87 87 TYR H H 1 7.299 0.008 . 1 . . . . . 87 TYR H . 50241 1 364 . 1 . 1 87 87 TYR CA C 13 57.795 0.000 . 1 . . . . . 87 TYR CA . 50241 1 365 . 1 . 1 87 87 TYR N N 15 114.955 0.024 . 1 . . . . . 87 TYR N . 50241 1 366 . 1 . 1 88 88 PRO C C 13 175.072 0.000 . 1 . . . . . 88 PRO C . 50241 1 367 . 1 . 1 88 88 PRO CA C 13 61.827 0.000 . 1 . . . . . 88 PRO CA . 50241 1 368 . 1 . 1 88 88 PRO CB C 13 34.421 0.000 . 1 . . . . . 88 PRO CB . 50241 1 369 . 1 . 1 89 89 ARG H H 1 7.745 0.007 . 1 . . . . . 89 ARG H . 50241 1 370 . 1 . 1 89 89 ARG C C 13 174.421 0.000 . 1 . . . . . 89 ARG C . 50241 1 371 . 1 . 1 89 89 ARG CA C 13 53.867 0.002 . 1 . . . . . 89 ARG CA . 50241 1 372 . 1 . 1 89 89 ARG CB C 13 34.312 0.000 . 1 . . . . . 89 ARG CB . 50241 1 373 . 1 . 1 89 89 ARG N N 15 117.109 0.032 . 1 . . . . . 89 ARG N . 50241 1 374 . 1 . 1 90 90 ASN H H 1 8.895 0.005 . 1 . . . . . 90 ASN H . 50241 1 375 . 1 . 1 90 90 ASN C C 13 178.012 0.000 . 1 . . . . . 90 ASN C . 50241 1 376 . 1 . 1 90 90 ASN CA C 13 53.042 0.057 . 1 . . . . . 90 ASN CA . 50241 1 377 . 1 . 1 90 90 ASN CB C 13 37.690 0.000 . 1 . . . . . 90 ASN CB . 50241 1 378 . 1 . 1 90 90 ASN N N 15 118.602 0.045 . 1 . . . . . 90 ASN N . 50241 1 379 . 1 . 1 91 91 ILE H H 1 9.041 0.007 . 1 . . . . . 91 ILE H . 50241 1 380 . 1 . 1 91 91 ILE C C 13 177.248 0.000 . 1 . . . . . 91 ILE C . 50241 1 381 . 1 . 1 91 91 ILE CA C 13 67.318 0.005 . 1 . . . . . 91 ILE CA . 50241 1 382 . 1 . 1 91 91 ILE CB C 13 38.474 0.000 . 1 . . . . . 91 ILE CB . 50241 1 383 . 1 . 1 91 91 ILE N N 15 128.008 0.046 . 1 . . . . . 91 ILE N . 50241 1 384 . 1 . 1 92 92 SER H H 1 8.925 0.005 . 1 . . . . . 92 SER H . 50241 1 385 . 1 . 1 92 92 SER C C 13 175.641 0.000 . 1 . . . . . 92 SER C . 50241 1 386 . 1 . 1 92 92 SER CA C 13 60.847 0.023 . 1 . . . . . 92 SER CA . 50241 1 387 . 1 . 1 92 92 SER CB C 13 62.906 0.000 . 1 . . . . . 92 SER CB . 50241 1 388 . 1 . 1 92 92 SER N N 15 112.329 0.037 . 1 . . . . . 92 SER N . 50241 1 389 . 1 . 1 93 93 ASP H H 1 7.312 0.007 . 1 . . . . . 93 ASP H . 50241 1 390 . 1 . 1 93 93 ASP C C 13 176.986 0.000 . 1 . . . . . 93 ASP C . 50241 1 391 . 1 . 1 93 93 ASP CA C 13 55.437 0.022 . 1 . . . . . 93 ASP CA . 50241 1 392 . 1 . 1 93 93 ASP CB C 13 41.654 0.000 . 1 . . . . . 93 ASP CB . 50241 1 393 . 1 . 1 93 93 ASP N N 15 118.995 0.054 . 1 . . . . . 93 ASP N . 50241 1 394 . 1 . 1 94 94 GLY H H 1 7.816 0.007 . 1 . . . . . 94 GLY H . 50241 1 395 . 1 . 1 94 94 GLY C C 13 173.139 0.000 . 1 . . . . . 94 GLY C . 50241 1 396 . 1 . 1 94 94 GLY CA C 13 45.910 0.040 . 1 . . . . . 94 GLY CA . 50241 1 397 . 1 . 1 94 94 GLY N N 15 106.352 0.048 . 1 . . . . . 94 GLY N . 50241 1 398 . 1 . 1 95 95 PHE H H 1 8.488 0.008 . 1 . . . . . 95 PHE H . 50241 1 399 . 1 . 1 95 95 PHE C C 13 173.592 0.000 . 1 . . . . . 95 PHE C . 50241 1 400 . 1 . 1 95 95 PHE CA C 13 55.818 0.009 . 1 . . . . . 95 PHE CA . 50241 1 401 . 1 . 1 95 95 PHE CB C 13 38.169 0.000 . 1 . . . . . 95 PHE CB . 50241 1 402 . 1 . 1 95 95 PHE N N 15 120.119 0.035 . 1 . . . . . 95 PHE N . 50241 1 403 . 1 . 1 96 96 ASP H H 1 8.036 0.006 . 1 . . . . . 96 ASP H . 50241 1 404 . 1 . 1 96 96 ASP C C 13 176.948 0.000 . 1 . . . . . 96 ASP C . 50241 1 405 . 1 . 1 96 96 ASP CA C 13 56.421 0.001 . 1 . . . . . 96 ASP CA . 50241 1 406 . 1 . 1 96 96 ASP CB C 13 41.278 0.000 . 1 . . . . . 96 ASP CB . 50241 1 407 . 1 . 1 96 96 ASP N N 15 120.998 0.035 . 1 . . . . . 96 ASP N . 50241 1 408 . 1 . 1 97 97 GLY H H 1 8.471 0.008 . 1 . . . . . 97 GLY H . 50241 1 409 . 1 . 1 97 97 GLY C C 13 173.426 0.000 . 1 . . . . . 97 GLY C . 50241 1 410 . 1 . 1 97 97 GLY CA C 13 45.450 0.013 . 1 . . . . . 97 GLY CA . 50241 1 411 . 1 . 1 97 97 GLY N N 15 112.619 0.037 . 1 . . . . . 97 GLY N . 50241 1 412 . 1 . 1 98 98 ILE H H 1 7.415 0.007 . 1 . . . . . 98 ILE H . 50241 1 413 . 1 . 1 98 98 ILE CA C 13 54.266 0.000 . 1 . . . . . 98 ILE CA . 50241 1 414 . 1 . 1 98 98 ILE N N 15 122.967 0.033 . 1 . . . . . 98 ILE N . 50241 1 415 . 1 . 1 99 99 PRO C C 13 172.444 0.000 . 1 . . . . . 99 PRO C . 50241 1 416 . 1 . 1 99 99 PRO CA C 13 62.196 0.000 . 1 . . . . . 99 PRO CA . 50241 1 417 . 1 . 1 99 99 PRO CB C 13 32.233 0.000 . 1 . . . . . 99 PRO CB . 50241 1 418 . 1 . 1 100 100 ASP H H 1 7.008 0.007 . 1 . . . . . 100 ASP H . 50241 1 419 . 1 . 1 100 100 ASP C C 13 176.581 0.000 . 1 . . . . . 100 ASP C . 50241 1 420 . 1 . 1 100 100 ASP CA C 13 52.924 0.011 . 1 . . . . . 100 ASP CA . 50241 1 421 . 1 . 1 100 100 ASP CB C 13 42.541 0.000 . 1 . . . . . 100 ASP CB . 50241 1 422 . 1 . 1 100 100 ASP N N 15 110.405 0.029 . 1 . . . . . 100 ASP N . 50241 1 423 . 1 . 1 101 101 ASN H H 1 8.079 0.009 . 1 . . . . . 101 ASN H . 50241 1 424 . 1 . 1 101 101 ASN C C 13 175.559 0.000 . 1 . . . . . 101 ASN C . 50241 1 425 . 1 . 1 101 101 ASN CA C 13 54.187 0.006 . 1 . . . . . 101 ASN CA . 50241 1 426 . 1 . 1 101 101 ASN CB C 13 36.955 0.000 . 1 . . . . . 101 ASN CB . 50241 1 427 . 1 . 1 101 101 ASN N N 15 114.447 0.029 . 1 . . . . . 101 ASN N . 50241 1 428 . 1 . 1 102 102 VAL H H 1 8.203 0.007 . 1 . . . . . 102 VAL H . 50241 1 429 . 1 . 1 102 102 VAL C C 13 175.777 0.000 . 1 . . . . . 102 VAL C . 50241 1 430 . 1 . 1 102 102 VAL CA C 13 62.869 0.010 . 1 . . . . . 102 VAL CA . 50241 1 431 . 1 . 1 102 102 VAL CB C 13 32.406 0.000 . 1 . . . . . 102 VAL CB . 50241 1 432 . 1 . 1 102 102 VAL N N 15 112.939 0.049 . 1 . . . . . 102 VAL N . 50241 1 433 . 1 . 1 103 103 ASP H H 1 9.091 0.013 . 1 . . . . . 103 ASP H . 50241 1 434 . 1 . 1 103 103 ASP C C 13 175.821 0.000 . 1 . . . . . 103 ASP C . 50241 1 435 . 1 . 1 103 103 ASP CA C 13 56.142 0.086 . 1 . . . . . 103 ASP CA . 50241 1 436 . 1 . 1 103 103 ASP CB C 13 41.517 0.000 . 1 . . . . . 103 ASP CB . 50241 1 437 . 1 . 1 103 103 ASP N N 15 118.273 0.048 . 1 . . . . . 103 ASP N . 50241 1 438 . 1 . 1 104 104 ALA H H 1 7.534 0.009 . 1 . . . . . 104 ALA H . 50241 1 439 . 1 . 1 104 104 ALA C C 13 174.407 0.000 . 1 . . . . . 104 ALA C . 50241 1 440 . 1 . 1 104 104 ALA CA C 13 51.212 0.047 . 1 . . . . . 104 ALA CA . 50241 1 441 . 1 . 1 104 104 ALA CB C 13 22.816 0.000 . 1 . . . . . 104 ALA CB . 50241 1 442 . 1 . 1 104 104 ALA N N 15 117.333 0.081 . 1 . . . . . 104 ALA N . 50241 1 443 . 1 . 1 105 105 ALA H H 1 8.740 0.009 . 1 . . . . . 105 ALA H . 50241 1 444 . 1 . 1 105 105 ALA C C 13 175.043 0.000 . 1 . . . . . 105 ALA C . 50241 1 445 . 1 . 1 105 105 ALA CA C 13 51.524 0.106 . 1 . . . . . 105 ALA CA . 50241 1 446 . 1 . 1 105 105 ALA CB C 13 24.501 0.000 . 1 . . . . . 105 ALA CB . 50241 1 447 . 1 . 1 105 105 ALA N N 15 122.252 0.013 . 1 . . . . . 105 ALA N . 50241 1 448 . 1 . 1 106 106 LEU H H 1 8.716 0.010 . 1 . . . . . 106 LEU H . 50241 1 449 . 1 . 1 106 106 LEU CA C 13 58.425 0.000 . 1 . . . . . 106 LEU CA . 50241 1 450 . 1 . 1 106 106 LEU N N 15 111.066 0.046 . 1 . . . . . 106 LEU N . 50241 1 451 . 1 . 1 107 107 ALA C C 13 175.549 0.000 . 1 . . . . . 107 ALA C . 50241 1 452 . 1 . 1 107 107 ALA CA C 13 50.583 0.000 . 1 . . . . . 107 ALA CA . 50241 1 453 . 1 . 1 107 107 ALA CB C 13 21.487 0.000 . 1 . . . . . 107 ALA CB . 50241 1 454 . 1 . 1 108 108 LEU H H 1 8.671 0.003 . 1 . . . . . 108 LEU H . 50241 1 455 . 1 . 1 108 108 LEU CA C 13 51.394 0.000 . 1 . . . . . 108 LEU CA . 50241 1 456 . 1 . 1 108 108 LEU N N 15 120.015 0.061 . 1 . . . . . 108 LEU N . 50241 1 457 . 1 . 1 109 109 PRO C C 13 176.807 0.000 . 1 . . . . . 109 PRO C . 50241 1 458 . 1 . 1 109 109 PRO CA C 13 62.116 0.000 . 1 . . . . . 109 PRO CA . 50241 1 459 . 1 . 1 109 109 PRO CB C 13 32.545 0.000 . 1 . . . . . 109 PRO CB . 50241 1 460 . 1 . 1 110 110 ALA H H 1 8.684 0.007 . 1 . . . . . 110 ALA H . 50241 1 461 . 1 . 1 110 110 ALA CA C 13 53.185 0.000 . 1 . . . . . 110 ALA CA . 50241 1 462 . 1 . 1 110 110 ALA N N 15 122.632 0.028 . 1 . . . . . 110 ALA N . 50241 1 463 . 1 . 1 112 112 SER C C 13 174.798 0.000 . 1 . . . . . 112 SER C . 50241 1 464 . 1 . 1 112 112 SER CA C 13 59.495 0.000 . 1 . . . . . 112 SER CA . 50241 1 465 . 1 . 1 112 112 SER CB C 13 64.236 0.000 . 1 . . . . . 112 SER CB . 50241 1 466 . 1 . 1 113 113 TYR H H 1 8.374 0.011 . 1 . . . . . 113 TYR H . 50241 1 467 . 1 . 1 113 113 TYR C C 13 175.982 0.000 . 1 . . . . . 113 TYR C . 50241 1 468 . 1 . 1 113 113 TYR CA C 13 58.862 0.009 . 1 . . . . . 113 TYR CA . 50241 1 469 . 1 . 1 113 113 TYR CB C 13 38.317 0.000 . 1 . . . . . 113 TYR CB . 50241 1 470 . 1 . 1 113 113 TYR N N 15 120.408 0.052 . 1 . . . . . 113 TYR N . 50241 1 471 . 1 . 1 114 114 SER H H 1 8.083 0.012 . 1 . . . . . 114 SER H . 50241 1 472 . 1 . 1 114 114 SER C C 13 175.024 0.000 . 1 . . . . . 114 SER C . 50241 1 473 . 1 . 1 114 114 SER CA C 13 58.705 0.009 . 1 . . . . . 114 SER CA . 50241 1 474 . 1 . 1 114 114 SER CB C 13 63.780 0.000 . 1 . . . . . 114 SER CB . 50241 1 475 . 1 . 1 114 114 SER N N 15 114.330 0.027 . 1 . . . . . 114 SER N . 50241 1 476 . 1 . 1 115 115 GLY H H 1 8.112 0.007 . 1 . . . . . 115 GLY H . 50241 1 477 . 1 . 1 115 115 GLY C C 13 173.596 0.000 . 1 . . . . . 115 GLY C . 50241 1 478 . 1 . 1 115 115 GLY CA C 13 45.540 0.001 . 1 . . . . . 115 GLY CA . 50241 1 479 . 1 . 1 115 115 GLY N N 15 110.189 0.070 . 1 . . . . . 115 GLY N . 50241 1 480 . 1 . 1 116 116 ARG H H 1 7.943 0.012 . 1 . . . . . 116 ARG H . 50241 1 481 . 1 . 1 116 116 ARG C C 13 175.593 0.000 . 1 . . . . . 116 ARG C . 50241 1 482 . 1 . 1 116 116 ARG CA C 13 55.177 0.016 . 1 . . . . . 116 ARG CA . 50241 1 483 . 1 . 1 116 116 ARG CB C 13 31.575 0.000 . 1 . . . . . 116 ARG CB . 50241 1 484 . 1 . 1 116 116 ARG N N 15 119.089 0.053 . 1 . . . . . 116 ARG N . 50241 1 485 . 1 . 1 117 117 GLU H H 1 8.757 0.005 . 1 . . . . . 117 GLU H . 50241 1 486 . 1 . 1 117 117 GLU C C 13 176.222 0.000 . 1 . . . . . 117 GLU C . 50241 1 487 . 1 . 1 117 117 GLU CA C 13 57.206 0.000 . 1 . . . . . 117 GLU CA . 50241 1 488 . 1 . 1 117 117 GLU CB C 13 30.850 0.000 . 1 . . . . . 117 GLU CB . 50241 1 489 . 1 . 1 117 117 GLU N N 15 123.692 0.027 . 1 . . . . . 117 GLU N . 50241 1 490 . 1 . 1 118 118 ARG H H 1 8.225 0.013 . 1 . . . . . 118 ARG H . 50241 1 491 . 1 . 1 118 118 ARG C C 13 173.069 0.000 . 1 . . . . . 118 ARG C . 50241 1 492 . 1 . 1 118 118 ARG CA C 13 54.914 0.016 . 1 . . . . . 118 ARG CA . 50241 1 493 . 1 . 1 118 118 ARG CB C 13 33.643 0.000 . 1 . . . . . 118 ARG CB . 50241 1 494 . 1 . 1 118 118 ARG N N 15 122.346 0.046 . 1 . . . . . 118 ARG N . 50241 1 495 . 1 . 1 119 119 VAL H H 1 8.696 0.009 . 1 . . . . . 119 VAL H . 50241 1 496 . 1 . 1 119 119 VAL C C 13 174.141 0.000 . 1 . . . . . 119 VAL C . 50241 1 497 . 1 . 1 119 119 VAL CA C 13 59.816 0.000 . 1 . . . . . 119 VAL CA . 50241 1 498 . 1 . 1 119 119 VAL CB C 13 34.765 0.000 . 1 . . . . . 119 VAL CB . 50241 1 499 . 1 . 1 119 119 VAL N N 15 120.429 0.035 . 1 . . . . . 119 VAL N . 50241 1 500 . 1 . 1 120 120 TYR H H 1 8.830 0.006 . 1 . . . . . 120 TYR H . 50241 1 501 . 1 . 1 120 120 TYR C C 13 173.564 0.000 . 1 . . . . . 120 TYR C . 50241 1 502 . 1 . 1 120 120 TYR CA C 13 56.031 0.000 . 1 . . . . . 120 TYR CA . 50241 1 503 . 1 . 1 120 120 TYR CB C 13 42.442 0.000 . 1 . . . . . 120 TYR CB . 50241 1 504 . 1 . 1 120 120 TYR N N 15 122.296 0.060 . 1 . . . . . 120 TYR N . 50241 1 505 . 1 . 1 121 121 PHE H H 1 7.954 0.007 . 1 . . . . . 121 PHE H . 50241 1 506 . 1 . 1 121 121 PHE C C 13 174.721 0.000 . 1 . . . . . 121 PHE C . 50241 1 507 . 1 . 1 121 121 PHE CA C 13 56.641 0.017 . 1 . . . . . 121 PHE CA . 50241 1 508 . 1 . 1 121 121 PHE CB C 13 43.668 0.000 . 1 . . . . . 121 PHE CB . 50241 1 509 . 1 . 1 121 121 PHE N N 15 115.565 0.047 . 1 . . . . . 121 PHE N . 50241 1 510 . 1 . 1 122 122 PHE H H 1 9.047 0.006 . 1 . . . . . 122 PHE H . 50241 1 511 . 1 . 1 122 122 PHE C C 13 175.696 0.000 . 1 . . . . . 122 PHE C . 50241 1 512 . 1 . 1 122 122 PHE CA C 13 56.902 0.006 . 1 . . . . . 122 PHE CA . 50241 1 513 . 1 . 1 122 122 PHE CB C 13 41.147 0.000 . 1 . . . . . 122 PHE CB . 50241 1 514 . 1 . 1 122 122 PHE N N 15 119.485 0.036 . 1 . . . . . 122 PHE N . 50241 1 515 . 1 . 1 123 123 LYS H H 1 9.566 0.007 . 1 . . . . . 123 LYS H . 50241 1 516 . 1 . 1 123 123 LYS C C 13 175.846 0.000 . 1 . . . . . 123 LYS C . 50241 1 517 . 1 . 1 123 123 LYS CA C 13 58.491 0.038 . 1 . . . . . 123 LYS CA . 50241 1 518 . 1 . 1 123 123 LYS CB C 13 35.411 0.000 . 1 . . . . . 123 LYS CB . 50241 1 519 . 1 . 1 123 123 LYS N N 15 123.851 0.023 . 1 . . . . . 123 LYS N . 50241 1 520 . 1 . 1 124 124 GLY H H 1 10.103 0.008 . 1 . . . . . 124 GLY H . 50241 1 521 . 1 . 1 124 124 GLY C C 13 174.298 0.000 . 1 . . . . . 124 GLY C . 50241 1 522 . 1 . 1 124 124 GLY CA C 13 46.963 0.034 . 1 . . . . . 124 GLY CA . 50241 1 523 . 1 . 1 124 124 GLY N N 15 122.898 0.036 . 1 . . . . . 124 GLY N . 50241 1 524 . 1 . 1 125 125 LYS H H 1 8.954 0.006 . 1 . . . . . 125 LYS H . 50241 1 525 . 1 . 1 125 125 LYS C C 13 177.392 0.000 . 1 . . . . . 125 LYS C . 50241 1 526 . 1 . 1 125 125 LYS CA C 13 56.629 0.000 . 1 . . . . . 125 LYS CA . 50241 1 527 . 1 . 1 125 125 LYS CB C 13 33.604 0.000 . 1 . . . . . 125 LYS CB . 50241 1 528 . 1 . 1 125 125 LYS N N 15 122.901 0.036 . 1 . . . . . 125 LYS N . 50241 1 529 . 1 . 1 126 126 GLN H H 1 8.151 0.006 . 1 . . . . . 126 GLN H . 50241 1 530 . 1 . 1 126 126 GLN C C 13 172.926 0.000 . 1 . . . . . 126 GLN C . 50241 1 531 . 1 . 1 126 126 GLN CA C 13 55.035 0.026 . 1 . . . . . 126 GLN CA . 50241 1 532 . 1 . 1 126 126 GLN CB C 13 34.272 0.000 . 1 . . . . . 126 GLN CB . 50241 1 533 . 1 . 1 126 126 GLN N N 15 119.273 0.014 . 1 . . . . . 126 GLN N . 50241 1 534 . 1 . 1 127 127 TYR H H 1 8.591 0.009 . 1 . . . . . 127 TYR H . 50241 1 535 . 1 . 1 127 127 TYR C C 13 171.635 0.000 . 1 . . . . . 127 TYR C . 50241 1 536 . 1 . 1 127 127 TYR CA C 13 55.854 0.029 . 1 . . . . . 127 TYR CA . 50241 1 537 . 1 . 1 127 127 TYR CB C 13 42.760 0.000 . 1 . . . . . 127 TYR CB . 50241 1 538 . 1 . 1 127 127 TYR N N 15 115.447 0.054 . 1 . . . . . 127 TYR N . 50241 1 539 . 1 . 1 128 128 TRP H H 1 9.511 0.005 . 1 . . . . . 128 TRP H . 50241 1 540 . 1 . 1 128 128 TRP C C 13 174.966 0.000 . 1 . . . . . 128 TRP C . 50241 1 541 . 1 . 1 128 128 TRP CA C 13 57.764 0.000 . 1 . . . . . 128 TRP CA . 50241 1 542 . 1 . 1 128 128 TRP CB C 13 35.795 0.000 . 1 . . . . . 128 TRP CB . 50241 1 543 . 1 . 1 128 128 TRP N N 15 121.599 0.038 . 1 . . . . . 128 TRP N . 50241 1 544 . 1 . 1 129 129 GLU H H 1 8.686 0.007 . 1 . . . . . 129 GLU H . 50241 1 545 . 1 . 1 129 129 GLU C C 13 174.189 0.000 . 1 . . . . . 129 GLU C . 50241 1 546 . 1 . 1 129 129 GLU CA C 13 55.053 0.038 . 1 . . . . . 129 GLU CA . 50241 1 547 . 1 . 1 129 129 GLU CB C 13 32.554 0.000 . 1 . . . . . 129 GLU CB . 50241 1 548 . 1 . 1 129 129 GLU N N 15 122.812 0.034 . 1 . . . . . 129 GLU N . 50241 1 549 . 1 . 1 130 130 TYR H H 1 9.544 0.010 . 1 . . . . . 130 TYR H . 50241 1 550 . 1 . 1 130 130 TYR C C 13 173.317 0.000 . 1 . . . . . 130 TYR C . 50241 1 551 . 1 . 1 130 130 TYR CA C 13 57.991 0.016 . 1 . . . . . 130 TYR CA . 50241 1 552 . 1 . 1 130 130 TYR CB C 13 41.909 0.000 . 1 . . . . . 130 TYR CB . 50241 1 553 . 1 . 1 130 130 TYR N N 15 129.320 0.018 . 1 . . . . . 130 TYR N . 50241 1 554 . 1 . 1 131 131 GLN H H 1 7.184 0.007 . 1 . . . . . 131 GLN H . 50241 1 555 . 1 . 1 131 131 GLN C C 13 174.305 0.000 . 1 . . . . . 131 GLN C . 50241 1 556 . 1 . 1 131 131 GLN CA C 13 54.135 0.000 . 1 . . . . . 131 GLN CA . 50241 1 557 . 1 . 1 131 131 GLN CB C 13 30.868 0.000 . 1 . . . . . 131 GLN CB . 50241 1 558 . 1 . 1 131 131 GLN N N 15 124.650 0.009 . 1 . . . . . 131 GLN N . 50241 1 559 . 1 . 1 132 132 PHE H H 1 7.919 0.011 . 1 . . . . . 132 PHE H . 50241 1 560 . 1 . 1 132 132 PHE C C 13 176.329 0.000 . 1 . . . . . 132 PHE C . 50241 1 561 . 1 . 1 132 132 PHE CA C 13 60.311 0.000 . 1 . . . . . 132 PHE CA . 50241 1 562 . 1 . 1 132 132 PHE CB C 13 39.528 0.000 . 1 . . . . . 132 PHE CB . 50241 1 563 . 1 . 1 132 132 PHE N N 15 120.210 0.034 . 1 . . . . . 132 PHE N . 50241 1 564 . 1 . 1 133 133 GLN H H 1 8.228 0.008 . 1 . . . . . 133 GLN H . 50241 1 565 . 1 . 1 133 133 GLN C C 13 175.128 0.000 . 1 . . . . . 133 GLN C . 50241 1 566 . 1 . 1 133 133 GLN CA C 13 55.842 0.012 . 1 . . . . . 133 GLN CA . 50241 1 567 . 1 . 1 133 133 GLN CB C 13 28.926 0.000 . 1 . . . . . 133 GLN CB . 50241 1 568 . 1 . 1 133 133 GLN N N 15 117.670 0.059 . 1 . . . . . 133 GLN N . 50241 1 569 . 1 . 1 134 134 ARG H H 1 8.231 0.007 . 1 . . . . . 134 ARG H . 50241 1 570 . 1 . 1 134 134 ARG C C 13 176.668 0.000 . 1 . . . . . 134 ARG C . 50241 1 571 . 1 . 1 134 134 ARG CA C 13 56.446 0.000 . 1 . . . . . 134 ARG CA . 50241 1 572 . 1 . 1 134 134 ARG CB C 13 30.619 0.000 . 1 . . . . . 134 ARG CB . 50241 1 573 . 1 . 1 134 134 ARG N N 15 121.928 0.061 . 1 . . . . . 134 ARG N . 50241 1 574 . 1 . 1 135 135 THR H H 1 8.261 0.011 . 1 . . . . . 135 THR H . 50241 1 575 . 1 . 1 135 135 THR C C 13 174.635 0.000 . 1 . . . . . 135 THR C . 50241 1 576 . 1 . 1 135 135 THR CA C 13 61.537 0.017 . 1 . . . . . 135 THR CA . 50241 1 577 . 1 . 1 135 135 THR CB C 13 70.124 0.000 . 1 . . . . . 135 THR CB . 50241 1 578 . 1 . 1 135 135 THR N N 15 114.953 0.037 . 1 . . . . . 135 THR N . 50241 1 579 . 1 . 1 136 136 SER H H 1 8.251 0.010 . 1 . . . . . 136 SER H . 50241 1 580 . 1 . 1 136 136 SER C C 13 174.196 0.000 . 1 . . . . . 136 SER C . 50241 1 581 . 1 . 1 136 136 SER CA C 13 58.399 0.009 . 1 . . . . . 136 SER CA . 50241 1 582 . 1 . 1 136 136 SER CB C 13 64.031 0.000 . 1 . . . . . 136 SER CB . 50241 1 583 . 1 . 1 136 136 SER N N 15 117.214 0.020 . 1 . . . . . 136 SER N . 50241 1 584 . 1 . 1 137 137 ALA H H 1 8.344 0.007 . 1 . . . . . 137 ALA H . 50241 1 585 . 1 . 1 137 137 ALA C C 13 178.082 0.000 . 1 . . . . . 137 ALA C . 50241 1 586 . 1 . 1 137 137 ALA CA C 13 52.812 0.002 . 1 . . . . . 137 ALA CA . 50241 1 587 . 1 . 1 137 137 ALA CB C 13 19.390 0.000 . 1 . . . . . 137 ALA CB . 50241 1 588 . 1 . 1 137 137 ALA N N 15 125.506 0.029 . 1 . . . . . 137 ALA N . 50241 1 589 . 1 . 1 138 138 GLY H H 1 8.221 0.008 . 1 . . . . . 138 GLY H . 50241 1 590 . 1 . 1 138 138 GLY C C 13 174.020 0.000 . 1 . . . . . 138 GLY C . 50241 1 591 . 1 . 1 138 138 GLY CA C 13 45.196 0.003 . 1 . . . . . 138 GLY CA . 50241 1 592 . 1 . 1 138 138 GLY N N 15 107.751 0.037 . 1 . . . . . 138 GLY N . 50241 1 593 . 1 . 1 139 139 THR H H 1 8.186 0.005 . 1 . . . . . 139 THR H . 50241 1 594 . 1 . 1 139 139 THR C C 13 174.657 0.000 . 1 . . . . . 139 THR C . 50241 1 595 . 1 . 1 139 139 THR CA C 13 62.063 0.052 . 1 . . . . . 139 THR CA . 50241 1 596 . 1 . 1 139 139 THR CB C 13 70.000 0.000 . 1 . . . . . 139 THR CB . 50241 1 597 . 1 . 1 139 139 THR N N 15 115.342 0.030 . 1 . . . . . 139 THR N . 50241 1 598 . 1 . 1 140 140 ARG H H 1 8.634 0.007 . 1 . . . . . 140 ARG H . 50241 1 599 . 1 . 1 140 140 ARG C C 13 175.883 0.000 . 1 . . . . . 140 ARG C . 50241 1 600 . 1 . 1 140 140 ARG CA C 13 56.009 0.008 . 1 . . . . . 140 ARG CA . 50241 1 601 . 1 . 1 140 140 ARG CB C 13 30.756 0.000 . 1 . . . . . 140 ARG CB . 50241 1 602 . 1 . 1 140 140 ARG N N 15 125.248 0.029 . 1 . . . . . 140 ARG N . 50241 1 603 . 1 . 1 141 141 GLN H H 1 8.329 0.008 . 1 . . . . . 141 GLN H . 50241 1 604 . 1 . 1 141 141 GLN CA C 13 53.586 0.000 . 1 . . . . . 141 GLN CA . 50241 1 605 . 1 . 1 141 141 GLN N N 15 122.464 0.039 . 1 . . . . . 141 GLN N . 50241 1 606 . 1 . 1 142 142 PRO C C 13 176.027 0.000 . 1 . . . . . 142 PRO C . 50241 1 607 . 1 . 1 142 142 PRO CA C 13 62.687 0.000 . 1 . . . . . 142 PRO CA . 50241 1 608 . 1 . 1 142 142 PRO CB C 13 31.220 0.000 . 1 . . . . . 142 PRO CB . 50241 1 609 . 1 . 1 143 143 GLN H H 1 8.351 0.010 . 1 . . . . . 143 GLN H . 50241 1 610 . 1 . 1 143 143 GLN C C 13 176.081 0.000 . 1 . . . . . 143 GLN C . 50241 1 611 . 1 . 1 143 143 GLN CA C 13 54.032 0.007 . 1 . . . . . 143 GLN CA . 50241 1 612 . 1 . 1 143 143 GLN CB C 13 36.671 0.000 . 1 . . . . . 143 GLN CB . 50241 1 613 . 1 . 1 143 143 GLN N N 15 120.415 0.024 . 1 . . . . . 143 GLN N . 50241 1 614 . 1 . 1 144 144 PHE H H 1 9.194 0.007 . 1 . . . . . 144 PHE H . 50241 1 615 . 1 . 1 144 144 PHE C C 13 179.013 0.000 . 1 . . . . . 144 PHE C . 50241 1 616 . 1 . 1 144 144 PHE CA C 13 55.344 0.039 . 1 . . . . . 144 PHE CA . 50241 1 617 . 1 . 1 144 144 PHE CB C 13 41.131 0.000 . 1 . . . . . 144 PHE CB . 50241 1 618 . 1 . 1 144 144 PHE N N 15 123.018 0.052 . 1 . . . . . 144 PHE N . 50241 1 619 . 1 . 1 145 145 ILE H H 1 9.083 0.010 . 1 . . . . . 145 ILE H . 50241 1 620 . 1 . 1 145 145 ILE C C 13 177.519 0.000 . 1 . . . . . 145 ILE C . 50241 1 621 . 1 . 1 145 145 ILE CA C 13 66.455 0.006 . 1 . . . . . 145 ILE CA . 50241 1 622 . 1 . 1 145 145 ILE CB C 13 44.688 0.000 . 1 . . . . . 145 ILE CB . 50241 1 623 . 1 . 1 145 145 ILE N N 15 126.295 0.054 . 1 . . . . . 145 ILE N . 50241 1 624 . 1 . 1 146 146 SER H H 1 9.109 0.007 . 1 . . . . . 146 SER H . 50241 1 625 . 1 . 1 146 146 SER C C 13 175.738 0.000 . 1 . . . . . 146 SER C . 50241 1 626 . 1 . 1 146 146 SER CA C 13 60.366 0.024 . 1 . . . . . 146 SER CA . 50241 1 627 . 1 . 1 146 146 SER CB C 13 63.026 0.000 . 1 . . . . . 146 SER CB . 50241 1 628 . 1 . 1 146 146 SER N N 15 110.982 0.056 . 1 . . . . . 146 SER N . 50241 1 629 . 1 . 1 147 147 ARG H H 1 6.972 0.009 . 1 . . . . . 147 ARG H . 50241 1 630 . 1 . 1 147 147 ARG C C 13 176.296 0.000 . 1 . . . . . 147 ARG C . 50241 1 631 . 1 . 1 147 147 ARG CA C 13 57.833 0.010 . 1 . . . . . 147 ARG CA . 50241 1 632 . 1 . 1 147 147 ARG CB C 13 30.856 0.000 . 1 . . . . . 147 ARG CB . 50241 1 633 . 1 . 1 147 147 ARG N N 15 119.009 0.070 . 1 . . . . . 147 ARG N . 50241 1 634 . 1 . 1 148 148 ASP H H 1 6.717 0.009 . 1 . . . . . 148 ASP H . 50241 1 635 . 1 . 1 148 148 ASP C C 13 174.736 0.000 . 1 . . . . . 148 ASP C . 50241 1 636 . 1 . 1 148 148 ASP CA C 13 54.251 0.035 . 1 . . . . . 148 ASP CA . 50241 1 637 . 1 . 1 148 148 ASP CB C 13 41.872 0.000 . 1 . . . . . 148 ASP CB . 50241 1 638 . 1 . 1 148 148 ASP N N 15 114.505 0.036 . 1 . . . . . 148 ASP N . 50241 1 639 . 1 . 1 149 149 TRP H H 1 8.192 0.006 . 1 . . . . . 149 TRP H . 50241 1 640 . 1 . 1 149 149 TRP C C 13 174.799 0.000 . 1 . . . . . 149 TRP C . 50241 1 641 . 1 . 1 149 149 TRP CA C 13 54.183 0.054 . 1 . . . . . 149 TRP CA . 50241 1 642 . 1 . 1 149 149 TRP CB C 13 25.713 0.000 . 1 . . . . . 149 TRP CB . 50241 1 643 . 1 . 1 149 149 TRP N N 15 124.031 0.038 . 1 . . . . . 149 TRP N . 50241 1 644 . 1 . 1 150 150 HIS H H 1 8.013 0.009 . 1 . . . . . 150 HIS H . 50241 1 645 . 1 . 1 150 150 HIS C C 13 175.390 0.000 . 1 . . . . . 150 HIS C . 50241 1 646 . 1 . 1 150 150 HIS CA C 13 58.156 0.044 . 1 . . . . . 150 HIS CA . 50241 1 647 . 1 . 1 150 150 HIS CB C 13 29.117 0.000 . 1 . . . . . 150 HIS CB . 50241 1 648 . 1 . 1 150 150 HIS N N 15 119.182 0.039 . 1 . . . . . 150 HIS N . 50241 1 649 . 1 . 1 151 151 GLY H H 1 8.933 0.007 . 1 . . . . . 151 GLY H . 50241 1 650 . 1 . 1 151 151 GLY C C 13 173.755 0.000 . 1 . . . . . 151 GLY C . 50241 1 651 . 1 . 1 151 151 GLY CA C 13 44.690 0.084 . 1 . . . . . 151 GLY CA . 50241 1 652 . 1 . 1 151 151 GLY N N 15 113.974 0.043 . 1 . . . . . 151 GLY N . 50241 1 653 . 1 . 1 152 152 VAL H H 1 7.559 0.009 . 1 . . . . . 152 VAL H . 50241 1 654 . 1 . 1 152 152 VAL CA C 13 59.470 0.000 . 1 . . . . . 152 VAL CA . 50241 1 655 . 1 . 1 152 152 VAL N N 15 122.788 0.072 . 1 . . . . . 152 VAL N . 50241 1 656 . 1 . 1 153 153 PRO C C 13 175.628 0.000 . 1 . . . . . 153 PRO C . 50241 1 657 . 1 . 1 153 153 PRO CA C 13 63.231 0.000 . 1 . . . . . 153 PRO CA . 50241 1 658 . 1 . 1 153 153 PRO CB C 13 32.193 0.000 . 1 . . . . . 153 PRO CB . 50241 1 659 . 1 . 1 154 154 GLY H H 1 7.443 0.007 . 1 . . . . . 154 GLY H . 50241 1 660 . 1 . 1 154 154 GLY C C 13 171.707 0.000 . 1 . . . . . 154 GLY C . 50241 1 661 . 1 . 1 154 154 GLY CA C 13 46.453 0.011 . 1 . . . . . 154 GLY CA . 50241 1 662 . 1 . 1 154 154 GLY N N 15 104.226 0.054 . 1 . . . . . 154 GLY N . 50241 1 663 . 1 . 1 155 155 GLN H H 1 7.473 0.007 . 1 . . . . . 155 GLN H . 50241 1 664 . 1 . 1 155 155 GLN C C 13 175.118 0.000 . 1 . . . . . 155 GLN C . 50241 1 665 . 1 . 1 155 155 GLN CA C 13 55.774 0.029 . 1 . . . . . 155 GLN CA . 50241 1 666 . 1 . 1 155 155 GLN CB C 13 29.634 0.000 . 1 . . . . . 155 GLN CB . 50241 1 667 . 1 . 1 155 155 GLN N N 15 118.095 0.053 . 1 . . . . . 155 GLN N . 50241 1 668 . 1 . 1 156 156 VAL H H 1 9.391 0.009 . 1 . . . . . 156 VAL H . 50241 1 669 . 1 . 1 156 156 VAL C C 13 174.350 0.000 . 1 . . . . . 156 VAL C . 50241 1 670 . 1 . 1 156 156 VAL CA C 13 60.189 0.074 . 1 . . . . . 156 VAL CA . 50241 1 671 . 1 . 1 156 156 VAL CB C 13 33.871 0.000 . 1 . . . . . 156 VAL CB . 50241 1 672 . 1 . 1 156 156 VAL N N 15 120.587 0.066 . 1 . . . . . 156 VAL N . 50241 1 673 . 1 . 1 157 157 ASP H H 1 9.016 0.003 . 1 . . . . . 157 ASP H . 50241 1 674 . 1 . 1 157 157 ASP C C 13 175.901 0.000 . 1 . . . . . 157 ASP C . 50241 1 675 . 1 . 1 157 157 ASP CA C 13 55.201 0.050 . 1 . . . . . 157 ASP CA . 50241 1 676 . 1 . 1 157 157 ASP CB C 13 43.570 0.000 . 1 . . . . . 157 ASP CB . 50241 1 677 . 1 . 1 157 157 ASP N N 15 119.418 0.048 . 1 . . . . . 157 ASP N . 50241 1 678 . 1 . 1 158 158 ALA H H 1 8.036 0.008 . 1 . . . . . 158 ALA H . 50241 1 679 . 1 . 1 158 158 ALA C C 13 174.734 0.000 . 1 . . . . . 158 ALA C . 50241 1 680 . 1 . 1 158 158 ALA CA C 13 51.553 0.009 . 1 . . . . . 158 ALA CA . 50241 1 681 . 1 . 1 158 158 ALA CB C 13 21.264 0.000 . 1 . . . . . 158 ALA CB . 50241 1 682 . 1 . 1 158 158 ALA N N 15 116.642 0.051 . 1 . . . . . 158 ALA N . 50241 1 683 . 1 . 1 159 159 ALA H H 1 9.236 0.008 . 1 . . . . . 159 ALA H . 50241 1 684 . 1 . 1 159 159 ALA C C 13 174.349 0.000 . 1 . . . . . 159 ALA C . 50241 1 685 . 1 . 1 159 159 ALA CA C 13 51.634 0.036 . 1 . . . . . 159 ALA CA . 50241 1 686 . 1 . 1 159 159 ALA CB C 13 23.504 0.000 . 1 . . . . . 159 ALA CB . 50241 1 687 . 1 . 1 159 159 ALA N N 15 124.134 0.029 . 1 . . . . . 159 ALA N . 50241 1 688 . 1 . 1 160 160 MET H H 1 8.370 0.007 . 1 . . . . . 160 MET H . 50241 1 689 . 1 . 1 160 160 MET C C 13 176.177 0.000 . 1 . . . . . 160 MET C . 50241 1 690 . 1 . 1 160 160 MET CA C 13 56.104 0.000 . 1 . . . . . 160 MET CA . 50241 1 691 . 1 . 1 160 160 MET CB C 13 34.239 0.000 . 1 . . . . . 160 MET CB . 50241 1 692 . 1 . 1 160 160 MET N N 15 112.663 0.073 . 1 . . . . . 160 MET N . 50241 1 693 . 1 . 1 161 161 ALA H H 1 7.711 0.011 . 1 . . . . . 161 ALA H . 50241 1 694 . 1 . 1 161 161 ALA C C 13 178.237 0.000 . 1 . . . . . 161 ALA C . 50241 1 695 . 1 . 1 161 161 ALA CA C 13 52.379 0.040 . 1 . . . . . 161 ALA CA . 50241 1 696 . 1 . 1 161 161 ALA CB C 13 21.637 0.000 . 1 . . . . . 161 ALA CB . 50241 1 697 . 1 . 1 161 161 ALA N N 15 116.954 0.060 . 1 . . . . . 161 ALA N . 50241 1 698 . 1 . 1 162 162 GLY H H 1 8.712 0.008 . 1 . . . . . 162 GLY H . 50241 1 699 . 1 . 1 162 162 GLY C C 13 173.119 0.000 . 1 . . . . . 162 GLY C . 50241 1 700 . 1 . 1 162 162 GLY CA C 13 44.501 0.064 . 1 . . . . . 162 GLY CA . 50241 1 701 . 1 . 1 162 162 GLY N N 15 110.534 0.039 . 1 . . . . . 162 GLY N . 50241 1 702 . 1 . 1 163 163 ARG H H 1 8.710 0.005 . 1 . . . . . 163 ARG H . 50241 1 703 . 1 . 1 163 163 ARG C C 13 177.512 0.000 . 1 . . . . . 163 ARG C . 50241 1 704 . 1 . 1 163 163 ARG CA C 13 59.546 0.044 . 1 . . . . . 163 ARG CA . 50241 1 705 . 1 . 1 163 163 ARG CB C 13 30.776 0.000 . 1 . . . . . 163 ARG CB . 50241 1 706 . 1 . 1 163 163 ARG N N 15 122.477 0.075 . 1 . . . . . 163 ARG N . 50241 1 707 . 1 . 1 164 164 ILE H H 1 8.460 0.007 . 1 . . . . . 164 ILE H . 50241 1 708 . 1 . 1 164 164 ILE C C 13 175.310 0.000 . 1 . . . . . 164 ILE C . 50241 1 709 . 1 . 1 164 164 ILE CA C 13 61.080 0.009 . 1 . . . . . 164 ILE CA . 50241 1 710 . 1 . 1 164 164 ILE CB C 13 40.140 0.000 . 1 . . . . . 164 ILE CB . 50241 1 711 . 1 . 1 164 164 ILE N N 15 112.969 0.073 . 1 . . . . . 164 ILE N . 50241 1 712 . 1 . 1 165 165 SER H H 1 7.594 0.007 . 1 . . . . . 165 SER H . 50241 1 713 . 1 . 1 165 165 SER C C 13 171.767 0.000 . 1 . . . . . 165 SER C . 50241 1 714 . 1 . 1 165 165 SER CA C 13 56.871 0.012 . 1 . . . . . 165 SER CA . 50241 1 715 . 1 . 1 165 165 SER CB C 13 65.755 0.000 . 1 . . . . . 165 SER CB . 50241 1 716 . 1 . 1 165 165 SER N N 15 116.798 0.049 . 1 . . . . . 165 SER N . 50241 1 717 . 1 . 1 166 166 VAL H H 1 8.493 0.011 . 1 . . . . . 166 VAL H . 50241 1 718 . 1 . 1 166 166 VAL C C 13 172.875 0.000 . 1 . . . . . 166 VAL C . 50241 1 719 . 1 . 1 166 166 VAL CA C 13 59.492 0.032 . 1 . . . . . 166 VAL CA . 50241 1 720 . 1 . 1 166 166 VAL CB C 13 33.840 0.000 . 1 . . . . . 166 VAL CB . 50241 1 721 . 1 . 1 166 166 VAL N N 15 114.966 0.032 . 1 . . . . . 166 VAL N . 50241 1 722 . 1 . 1 167 167 PHE H H 1 9.076 0.009 . 1 . . . . . 167 PHE H . 50241 1 723 . 1 . 1 167 167 PHE C C 13 174.287 0.000 . 1 . . . . . 167 PHE C . 50241 1 724 . 1 . 1 167 167 PHE CA C 13 55.947 0.007 . 1 . . . . . 167 PHE CA . 50241 1 725 . 1 . 1 167 167 PHE CB C 13 42.380 0.000 . 1 . . . . . 167 PHE CB . 50241 1 726 . 1 . 1 167 167 PHE N N 15 119.881 0.043 . 1 . . . . . 167 PHE N . 50241 1 727 . 1 . 1 168 168 PHE H H 1 8.771 0.008 . 1 . . . . . 168 PHE H . 50241 1 728 . 1 . 1 168 168 PHE C C 13 174.248 0.000 . 1 . . . . . 168 PHE C . 50241 1 729 . 1 . 1 168 168 PHE CA C 13 56.735 0.044 . 1 . . . . . 168 PHE CA . 50241 1 730 . 1 . 1 168 168 PHE CB C 13 43.457 0.000 . 1 . . . . . 168 PHE CB . 50241 1 731 . 1 . 1 168 168 PHE N N 15 117.854 0.037 . 1 . . . . . 168 PHE N . 50241 1 732 . 1 . 1 169 169 PHE H H 1 8.261 0.008 . 1 . . . . . 169 PHE H . 50241 1 733 . 1 . 1 169 169 PHE C C 13 175.071 0.000 . 1 . . . . . 169 PHE C . 50241 1 734 . 1 . 1 169 169 PHE CA C 13 57.507 0.046 . 1 . . . . . 169 PHE CA . 50241 1 735 . 1 . 1 169 169 PHE CB C 13 39.962 0.000 . 1 . . . . . 169 PHE CB . 50241 1 736 . 1 . 1 169 169 PHE N N 15 121.021 0.049 . 1 . . . . . 169 PHE N . 50241 1 737 . 1 . 1 170 170 SER H H 1 9.432 0.011 . 1 . . . . . 170 SER H . 50241 1 738 . 1 . 1 170 170 SER C C 13 174.860 0.000 . 1 . . . . . 170 SER C . 50241 1 739 . 1 . 1 170 170 SER CA C 13 56.927 0.004 . 1 . . . . . 170 SER CA . 50241 1 740 . 1 . 1 170 170 SER CB C 13 63.859 0.000 . 1 . . . . . 170 SER CB . 50241 1 741 . 1 . 1 170 170 SER N N 15 118.051 0.048 . 1 . . . . . 170 SER N . 50241 1 742 . 1 . 1 171 171 GLY H H 1 10.419 0.008 . 1 . . . . . 171 GLY H . 50241 1 743 . 1 . 1 171 171 GLY C C 13 174.270 0.000 . 1 . . . . . 171 GLY C . 50241 1 744 . 1 . 1 171 171 GLY CA C 13 48.076 0.014 . 1 . . . . . 171 GLY CA . 50241 1 745 . 1 . 1 171 171 GLY N N 15 122.174 0.033 . 1 . . . . . 171 GLY N . 50241 1 746 . 1 . 1 172 172 ASP H H 1 9.222 0.009 . 1 . . . . . 172 ASP H . 50241 1 747 . 1 . 1 172 172 ASP C C 13 176.559 0.000 . 1 . . . . . 172 ASP C . 50241 1 748 . 1 . 1 172 172 ASP CA C 13 53.794 0.010 . 1 . . . . . 172 ASP CA . 50241 1 749 . 1 . 1 172 172 ASP CB C 13 40.825 0.000 . 1 . . . . . 172 ASP CB . 50241 1 750 . 1 . 1 172 172 ASP N N 15 125.846 0.016 . 1 . . . . . 172 ASP N . 50241 1 751 . 1 . 1 173 173 LYS H H 1 8.477 0.011 . 1 . . . . . 173 LYS H . 50241 1 752 . 1 . 1 173 173 LYS C C 13 174.098 0.000 . 1 . . . . . 173 LYS C . 50241 1 753 . 1 . 1 173 173 LYS CA C 13 55.488 0.030 . 1 . . . . . 173 LYS CA . 50241 1 754 . 1 . 1 173 173 LYS CB C 13 37.757 0.000 . 1 . . . . . 173 LYS CB . 50241 1 755 . 1 . 1 173 173 LYS N N 15 121.706 0.045 . 1 . . . . . 173 LYS N . 50241 1 756 . 1 . 1 174 174 TYR H H 1 8.988 0.009 . 1 . . . . . 174 TYR H . 50241 1 757 . 1 . 1 174 174 TYR C C 13 171.986 0.000 . 1 . . . . . 174 TYR C . 50241 1 758 . 1 . 1 174 174 TYR CA C 13 55.584 0.023 . 1 . . . . . 174 TYR CA . 50241 1 759 . 1 . 1 174 174 TYR CB C 13 42.593 0.000 . 1 . . . . . 174 TYR CB . 50241 1 760 . 1 . 1 174 174 TYR N N 15 114.488 0.053 . 1 . . . . . 174 TYR N . 50241 1 761 . 1 . 1 175 175 TYR H H 1 8.732 0.007 . 1 . . . . . 175 TYR H . 50241 1 762 . 1 . 1 175 175 TYR CA C 13 57.233 0.000 . 1 . . . . . 175 TYR CA . 50241 1 763 . 1 . 1 175 175 TYR N N 15 115.925 0.067 . 1 . . . . . 175 TYR N . 50241 1 764 . 1 . 1 176 176 ARG C C 13 173.501 0.000 . 1 . . . . . 176 ARG C . 50241 1 765 . 1 . 1 176 176 ARG CA C 13 54.582 0.000 . 1 . . . . . 176 ARG CA . 50241 1 766 . 1 . 1 176 176 ARG CB C 13 35.539 0.000 . 1 . . . . . 176 ARG CB . 50241 1 767 . 1 . 1 177 177 VAL H H 1 9.018 0.005 . 1 . . . . . 177 VAL H . 50241 1 768 . 1 . 1 177 177 VAL C C 13 174.355 0.000 . 1 . . . . . 177 VAL C . 50241 1 769 . 1 . 1 177 177 VAL CA C 13 60.016 0.045 . 1 . . . . . 177 VAL CA . 50241 1 770 . 1 . 1 177 177 VAL CB C 13 34.300 0.000 . 1 . . . . . 177 VAL CB . 50241 1 771 . 1 . 1 177 177 VAL N N 15 126.867 0.054 . 1 . . . . . 177 VAL N . 50241 1 772 . 1 . 1 178 178 ASN H H 1 7.765 0.006 . 1 . . . . . 178 ASN H . 50241 1 773 . 1 . 1 178 178 ASN C C 13 176.996 0.000 . 1 . . . . . 178 ASN C . 50241 1 774 . 1 . 1 178 178 ASN CA C 13 54.669 0.000 . 1 . . . . . 178 ASN CA . 50241 1 775 . 1 . 1 178 178 ASN CB C 13 40.300 0.000 . 1 . . . . . 178 ASN CB . 50241 1 776 . 1 . 1 178 178 ASN N N 15 126.620 0.040 . 1 . . . . . 178 ASN N . 50241 1 777 . 1 . 1 179 179 LEU H H 1 8.547 0.010 . 1 . . . . . 179 LEU H . 50241 1 778 . 1 . 1 179 179 LEU C C 13 177.366 0.000 . 1 . . . . . 179 LEU C . 50241 1 779 . 1 . 1 179 179 LEU CA C 13 58.128 0.076 . 1 . . . . . 179 LEU CA . 50241 1 780 . 1 . 1 179 179 LEU CB C 13 42.532 0.000 . 1 . . . . . 179 LEU CB . 50241 1 781 . 1 . 1 179 179 LEU N N 15 126.447 0.026 . 1 . . . . . 179 LEU N . 50241 1 782 . 1 . 1 180 180 ARG H H 1 8.201 0.011 . 1 . . . . . 180 ARG H . 50241 1 783 . 1 . 1 180 180 ARG C C 13 178.567 0.000 . 1 . . . . . 180 ARG C . 50241 1 784 . 1 . 1 180 180 ARG CA C 13 58.967 0.045 . 1 . . . . . 180 ARG CA . 50241 1 785 . 1 . 1 180 180 ARG CB C 13 29.918 0.000 . 1 . . . . . 180 ARG CB . 50241 1 786 . 1 . 1 180 180 ARG N N 15 117.683 0.052 . 1 . . . . . 180 ARG N . 50241 1 787 . 1 . 1 181 181 THR H H 1 8.018 0.008 . 1 . . . . . 181 THR H . 50241 1 788 . 1 . 1 181 181 THR C C 13 175.524 0.000 . 1 . . . . . 181 THR C . 50241 1 789 . 1 . 1 181 181 THR CA C 13 61.786 0.082 . 1 . . . . . 181 THR CA . 50241 1 790 . 1 . 1 181 181 THR CB C 13 69.961 0.000 . 1 . . . . . 181 THR CB . 50241 1 791 . 1 . 1 181 181 THR N N 15 107.008 0.035 . 1 . . . . . 181 THR N . 50241 1 792 . 1 . 1 182 182 ARG H H 1 8.192 0.010 . 1 . . . . . 182 ARG H . 50241 1 793 . 1 . 1 182 182 ARG C C 13 172.890 0.000 . 1 . . . . . 182 ARG C . 50241 1 794 . 1 . 1 182 182 ARG CA C 13 56.895 0.020 . 1 . . . . . 182 ARG CA . 50241 1 795 . 1 . 1 182 182 ARG CB C 13 26.645 0.000 . 1 . . . . . 182 ARG CB . 50241 1 796 . 1 . 1 182 182 ARG N N 15 116.128 0.074 . 1 . . . . . 182 ARG N . 50241 1 797 . 1 . 1 183 183 ARG H H 1 7.498 0.005 . 1 . . . . . 183 ARG H . 50241 1 798 . 1 . 1 183 183 ARG C C 13 176.367 0.000 . 1 . . . . . 183 ARG C . 50241 1 799 . 1 . 1 183 183 ARG CA C 13 53.843 0.018 . 1 . . . . . 183 ARG CA . 50241 1 800 . 1 . 1 183 183 ARG CB C 13 33.647 0.000 . 1 . . . . . 183 ARG CB . 50241 1 801 . 1 . 1 183 183 ARG N N 15 114.604 0.054 . 1 . . . . . 183 ARG N . 50241 1 802 . 1 . 1 184 184 VAL H H 1 8.174 0.010 . 1 . . . . . 184 VAL H . 50241 1 803 . 1 . 1 184 184 VAL C C 13 176.785 0.000 . 1 . . . . . 184 VAL C . 50241 1 804 . 1 . 1 184 184 VAL CA C 13 63.233 0.017 . 1 . . . . . 184 VAL CA . 50241 1 805 . 1 . 1 184 184 VAL CB C 13 32.696 0.000 . 1 . . . . . 184 VAL CB . 50241 1 806 . 1 . 1 184 184 VAL N N 15 124.390 0.031 . 1 . . . . . 184 VAL N . 50241 1 807 . 1 . 1 185 185 ASP H H 1 8.296 0.014 . 1 . . . . . 185 ASP H . 50241 1 808 . 1 . 1 185 185 ASP C C 13 175.887 0.000 . 1 . . . . . 185 ASP C . 50241 1 809 . 1 . 1 185 185 ASP CA C 13 55.415 0.033 . 1 . . . . . 185 ASP CA . 50241 1 810 . 1 . 1 185 185 ASP CB C 13 42.523 0.000 . 1 . . . . . 185 ASP CB . 50241 1 811 . 1 . 1 185 185 ASP N N 15 130.207 0.040 . 1 . . . . . 185 ASP N . 50241 1 812 . 1 . 1 186 186 THR H H 1 8.732 0.008 . 1 . . . . . 186 THR H . 50241 1 813 . 1 . 1 186 186 THR C C 13 173.619 0.000 . 1 . . . . . 186 THR C . 50241 1 814 . 1 . 1 186 186 THR CA C 13 62.848 0.008 . 1 . . . . . 186 THR CA . 50241 1 815 . 1 . 1 186 186 THR CB C 13 68.899 0.000 . 1 . . . . . 186 THR CB . 50241 1 816 . 1 . 1 186 186 THR N N 15 118.510 0.027 . 1 . . . . . 186 THR N . 50241 1 817 . 1 . 1 187 187 VAL H H 1 7.728 0.005 . 1 . . . . . 187 VAL H . 50241 1 818 . 1 . 1 187 187 VAL C C 13 173.584 0.000 . 1 . . . . . 187 VAL C . 50241 1 819 . 1 . 1 187 187 VAL CA C 13 59.286 0.003 . 1 . . . . . 187 VAL CA . 50241 1 820 . 1 . 1 187 187 VAL CB C 13 36.404 0.000 . 1 . . . . . 187 VAL CB . 50241 1 821 . 1 . 1 187 187 VAL N N 15 121.294 0.024 . 1 . . . . . 187 VAL N . 50241 1 822 . 1 . 1 188 188 ASP H H 1 7.994 0.002 . 1 . . . . . 188 ASP H . 50241 1 823 . 1 . 1 188 188 ASP CA C 13 50.833 0.000 . 1 . . . . . 188 ASP CA . 50241 1 824 . 1 . 1 188 188 ASP N N 15 118.805 0.051 . 1 . . . . . 188 ASP N . 50241 1 825 . 1 . 1 190 190 PRO C C 13 176.931 0.000 . 1 . . . . . 190 PRO C . 50241 1 826 . 1 . 1 190 190 PRO CA C 13 63.117 0.000 . 1 . . . . . 190 PRO CA . 50241 1 827 . 1 . 1 190 190 PRO CB C 13 32.430 0.000 . 1 . . . . . 190 PRO CB . 50241 1 828 . 1 . 1 191 191 TYR H H 1 8.322 0.006 . 1 . . . . . 191 TYR H . 50241 1 829 . 1 . 1 191 191 TYR CA C 13 58.534 0.000 . 1 . . . . . 191 TYR CA . 50241 1 830 . 1 . 1 191 191 TYR N N 15 115.420 0.048 . 1 . . . . . 191 TYR N . 50241 1 831 . 1 . 1 192 192 PRO C C 13 174.907 0.000 . 1 . . . . . 192 PRO C . 50241 1 832 . 1 . 1 192 192 PRO CA C 13 61.362 0.000 . 1 . . . . . 192 PRO CA . 50241 1 833 . 1 . 1 192 192 PRO CB C 13 33.618 0.000 . 1 . . . . . 192 PRO CB . 50241 1 834 . 1 . 1 193 193 ARG H H 1 7.604 0.011 . 1 . . . . . 193 ARG H . 50241 1 835 . 1 . 1 193 193 ARG C C 13 175.352 0.000 . 1 . . . . . 193 ARG C . 50241 1 836 . 1 . 1 193 193 ARG CA C 13 53.748 0.000 . 1 . . . . . 193 ARG CA . 50241 1 837 . 1 . 1 193 193 ARG CB C 13 35.173 0.000 . 1 . . . . . 193 ARG CB . 50241 1 838 . 1 . 1 193 193 ARG N N 15 119.243 0.056 . 1 . . . . . 193 ARG N . 50241 1 839 . 1 . 1 194 194 SER H H 1 8.637 0.010 . 1 . . . . . 194 SER H . 50241 1 840 . 1 . 1 194 194 SER C C 13 177.339 0.000 . 1 . . . . . 194 SER C . 50241 1 841 . 1 . 1 194 194 SER CA C 13 58.312 0.077 . 1 . . . . . 194 SER CA . 50241 1 842 . 1 . 1 194 194 SER CB C 13 64.356 0.000 . 1 . . . . . 194 SER CB . 50241 1 843 . 1 . 1 194 194 SER N N 15 113.104 0.034 . 1 . . . . . 194 SER N . 50241 1 844 . 1 . 1 195 195 ILE H H 1 9.036 0.011 . 1 . . . . . 195 ILE H . 50241 1 845 . 1 . 1 195 195 ILE C C 13 178.396 0.000 . 1 . . . . . 195 ILE C . 50241 1 846 . 1 . 1 195 195 ILE CA C 13 65.658 0.026 . 1 . . . . . 195 ILE CA . 50241 1 847 . 1 . 1 195 195 ILE N N 15 130.958 0.052 . 1 . . . . . 195 ILE N . 50241 1 848 . 1 . 1 196 196 ALA H H 1 9.525 0.004 . 1 . . . . . 196 ALA H . 50241 1 849 . 1 . 1 196 196 ALA C C 13 179.409 0.000 . 1 . . . . . 196 ALA C . 50241 1 850 . 1 . 1 196 196 ALA CA C 13 55.319 0.013 . 1 . . . . . 196 ALA CA . 50241 1 851 . 1 . 1 196 196 ALA CB C 13 17.559 0.000 . 1 . . . . . 196 ALA CB . 50241 1 852 . 1 . 1 196 196 ALA N N 15 123.147 0.011 . 1 . . . . . 196 ALA N . 50241 1 853 . 1 . 1 197 197 GLN H H 1 8.047 0.009 . 1 . . . . . 197 GLN H . 50241 1 854 . 1 . 1 197 197 GLN C C 13 177.860 0.000 . 1 . . . . . 197 GLN C . 50241 1 855 . 1 . 1 197 197 GLN CA C 13 58.036 0.013 . 1 . . . . . 197 GLN CA . 50241 1 856 . 1 . 1 197 197 GLN CB C 13 29.180 0.000 . 1 . . . . . 197 GLN CB . 50241 1 857 . 1 . 1 197 197 GLN N N 15 115.960 0.062 . 1 . . . . . 197 GLN N . 50241 1 858 . 1 . 1 198 198 TYR H H 1 7.677 0.009 . 1 . . . . . 198 TYR H . 50241 1 859 . 1 . 1 198 198 TYR C C 13 176.806 0.000 . 1 . . . . . 198 TYR C . 50241 1 860 . 1 . 1 198 198 TYR CA C 13 61.859 0.051 . 1 . . . . . 198 TYR CA . 50241 1 861 . 1 . 1 198 198 TYR CB C 13 40.343 0.000 . 1 . . . . . 198 TYR CB . 50241 1 862 . 1 . 1 198 198 TYR N N 15 114.158 0.045 . 1 . . . . . 198 TYR N . 50241 1 863 . 1 . 1 199 199 TRP H H 1 8.811 0.010 . 1 . . . . . 199 TRP H . 50241 1 864 . 1 . 1 199 199 TRP CA C 13 58.899 0.000 . 1 . . . . . 199 TRP CA . 50241 1 865 . 1 . 1 199 199 TRP N N 15 116.435 0.065 . 1 . . . . . 199 TRP N . 50241 1 866 . 1 . 1 200 200 LEU C C 13 176.677 0.000 . 1 . . . . . 200 LEU C . 50241 1 867 . 1 . 1 200 200 LEU CA C 13 53.873 0.000 . 1 . . . . . 200 LEU CA . 50241 1 868 . 1 . 1 200 200 LEU CB C 13 42.261 0.000 . 1 . . . . . 200 LEU CB . 50241 1 869 . 1 . 1 201 201 GLY H H 1 7.081 0.007 . 1 . . . . . 201 GLY H . 50241 1 870 . 1 . 1 201 201 GLY C C 13 175.307 0.000 . 1 . . . . . 201 GLY C . 50241 1 871 . 1 . 1 201 201 GLY CA C 13 46.541 0.082 . 1 . . . . . 201 GLY CA . 50241 1 872 . 1 . 1 201 201 GLY N N 15 104.876 0.092 . 1 . . . . . 201 GLY N . 50241 1 873 . 1 . 1 202 202 CYS H H 1 8.128 0.011 . 1 . . . . . 202 CYS H . 50241 1 874 . 1 . 1 202 202 CYS CA C 13 56.283 0.000 . 1 . . . . . 202 CYS CA . 50241 1 875 . 1 . 1 202 202 CYS N N 15 119.707 0.056 . 1 . . . . . 202 CYS N . 50241 1 876 . 1 . 1 203 203 PRO C C 13 175.829 0.000 . 1 . . . . . 203 PRO C . 50241 1 877 . 1 . 1 203 203 PRO CA C 13 63.420 0.000 . 1 . . . . . 203 PRO CA . 50241 1 878 . 1 . 1 203 203 PRO CB C 13 31.795 0.000 . 1 . . . . . 203 PRO CB . 50241 1 879 . 1 . 1 204 204 ALA H H 1 7.892 0.007 . 1 . . . . . 204 ALA H . 50241 1 880 . 1 . 1 204 204 ALA CA C 13 53.791 0.000 . 1 . . . . . 204 ALA CA . 50241 1 881 . 1 . 1 204 204 ALA N N 15 128.851 0.046 . 1 . . . . . 204 ALA N . 50241 1 stop_ save_