data_26305 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26305 _Entry.Title ; NMR chemical shift of Bryum coronatum chitinase E61Q/W103A mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-07 _Entry.Accession_date 2020-12-21 _Entry.Last_release_date 2020-12-21 _Entry.Original_release_date 2020-12-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Takuya Nagata . . . . 26305 2 Shoko Shinya . . . . 26305 3 Takayuki Ohnuma . . . . 26305 4 Tamo Fukamizo . . . . 26305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 539 26305 '15N chemical shifts' 181 26305 '1H chemical shifts' 181 26305 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-06-19 . original BMRB . 26305 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26306 'NMR chemical shift of Bryum coronatum chitinase E61Q/W103F mutant' 26305 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26305 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33510258 _Citation.DOI 10.1038/s41598-021-81903-3 _Citation.Full_citation . _Citation.Title ; Multi-functionality of a tryptophan residue conserved in substrate-binding groove of GH19 chitinases. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2494 _Citation.Page_last 2494 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takuya Nagata . . . . 26305 1 2 Shoko Shinya . . . . 26305 1 3 Takayuki Ohnuma . . . . 26305 1 4 Tamo Fukamizo . . . . 26305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26305 _Assembly.ID 1 _Assembly.Name 'Bryum coronatum chitinase E61Q/W103A mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Bryum coronatum chitinase E61QW103A mutant' 1 $entity_1 . . yes native no no . . . 26305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BcChiA_E61QW103A _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; QSWTSFVTPAVFEGWFPNRN PFYTYDGLVSASNGYPEFGT TGSLDDQKRELAAFLGNINQ QSGGLQFIQEQNPQSDYCDT SSTQYPCAAGKQYYGRGPIQ LSANYNYGEAGADLGLDLLN NPDLVAQDSTVAWRTALWFW MKRDCHGAITASPPSFSGTI RIINGGLECNQPAGSIGNMQ MENRVTYYTQFCQTLGVDPG TDLRC ; _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 205 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 GLN . 26305 1 2 2 SER . 26305 1 3 3 TRP . 26305 1 4 4 THR . 26305 1 5 5 SER . 26305 1 6 6 PHE . 26305 1 7 7 VAL . 26305 1 8 8 THR . 26305 1 9 9 PRO . 26305 1 10 10 ALA . 26305 1 11 11 VAL . 26305 1 12 12 PHE . 26305 1 13 13 GLU . 26305 1 14 14 GLY . 26305 1 15 15 TRP . 26305 1 16 16 PHE . 26305 1 17 17 PRO . 26305 1 18 18 ASN . 26305 1 19 19 ARG . 26305 1 20 20 ASN . 26305 1 21 21 PRO . 26305 1 22 22 PHE . 26305 1 23 23 TYR . 26305 1 24 24 THR . 26305 1 25 25 TYR . 26305 1 26 26 ASP . 26305 1 27 27 GLY . 26305 1 28 28 LEU . 26305 1 29 29 VAL . 26305 1 30 30 SER . 26305 1 31 31 ALA . 26305 1 32 32 SER . 26305 1 33 33 ASN . 26305 1 34 34 GLY . 26305 1 35 35 TYR . 26305 1 36 36 PRO . 26305 1 37 37 GLU . 26305 1 38 38 PHE . 26305 1 39 39 GLY . 26305 1 40 40 THR . 26305 1 41 41 THR . 26305 1 42 42 GLY . 26305 1 43 43 SER . 26305 1 44 44 LEU . 26305 1 45 45 ASP . 26305 1 46 46 ASP . 26305 1 47 47 GLN . 26305 1 48 48 LYS . 26305 1 49 49 ARG . 26305 1 50 50 GLU . 26305 1 51 51 LEU . 26305 1 52 52 ALA . 26305 1 53 53 ALA . 26305 1 54 54 PHE . 26305 1 55 55 LEU . 26305 1 56 56 GLY . 26305 1 57 57 ASN . 26305 1 58 58 ILE . 26305 1 59 59 ASN . 26305 1 60 60 GLN . 26305 1 61 61 GLN . 26305 1 62 62 SER . 26305 1 63 63 GLY . 26305 1 64 64 GLY . 26305 1 65 65 LEU . 26305 1 66 66 GLN . 26305 1 67 67 PHE . 26305 1 68 68 ILE . 26305 1 69 69 GLN . 26305 1 70 70 GLU . 26305 1 71 71 GLN . 26305 1 72 72 ASN . 26305 1 73 73 PRO . 26305 1 74 74 GLN . 26305 1 75 75 SER . 26305 1 76 76 ASP . 26305 1 77 77 TYR . 26305 1 78 78 CYS . 26305 1 79 79 ASP . 26305 1 80 80 THR . 26305 1 81 81 SER . 26305 1 82 82 SER . 26305 1 83 83 THR . 26305 1 84 84 GLN . 26305 1 85 85 TYR . 26305 1 86 86 PRO . 26305 1 87 87 CYS . 26305 1 88 88 ALA . 26305 1 89 89 ALA . 26305 1 90 90 GLY . 26305 1 91 91 LYS . 26305 1 92 92 GLN . 26305 1 93 93 TYR . 26305 1 94 94 TYR . 26305 1 95 95 GLY . 26305 1 96 96 ARG . 26305 1 97 97 GLY . 26305 1 98 98 PRO . 26305 1 99 99 ILE . 26305 1 100 100 GLN . 26305 1 101 101 LEU . 26305 1 102 102 SER . 26305 1 103 103 ALA . 26305 1 104 104 ASN . 26305 1 105 105 TYR . 26305 1 106 106 ASN . 26305 1 107 107 TYR . 26305 1 108 108 GLY . 26305 1 109 109 GLU . 26305 1 110 110 ALA . 26305 1 111 111 GLY . 26305 1 112 112 ALA . 26305 1 113 113 ASP . 26305 1 114 114 LEU . 26305 1 115 115 GLY . 26305 1 116 116 LEU . 26305 1 117 117 ASP . 26305 1 118 118 LEU . 26305 1 119 119 LEU . 26305 1 120 120 ASN . 26305 1 121 121 ASN . 26305 1 122 122 PRO . 26305 1 123 123 ASP . 26305 1 124 124 LEU . 26305 1 125 125 VAL . 26305 1 126 126 ALA . 26305 1 127 127 GLN . 26305 1 128 128 ASP . 26305 1 129 129 SER . 26305 1 130 130 THR . 26305 1 131 131 VAL . 26305 1 132 132 ALA . 26305 1 133 133 TRP . 26305 1 134 134 ARG . 26305 1 135 135 THR . 26305 1 136 136 ALA . 26305 1 137 137 LEU . 26305 1 138 138 TRP . 26305 1 139 139 PHE . 26305 1 140 140 TRP . 26305 1 141 141 MET . 26305 1 142 142 LYS . 26305 1 143 143 ARG . 26305 1 144 144 ASP . 26305 1 145 145 CYS . 26305 1 146 146 HIS . 26305 1 147 147 GLY . 26305 1 148 148 ALA . 26305 1 149 149 ILE . 26305 1 150 150 THR . 26305 1 151 151 ALA . 26305 1 152 152 SER . 26305 1 153 153 PRO . 26305 1 154 154 PRO . 26305 1 155 155 SER . 26305 1 156 156 PHE . 26305 1 157 157 SER . 26305 1 158 158 GLY . 26305 1 159 159 THR . 26305 1 160 160 ILE . 26305 1 161 161 ARG . 26305 1 162 162 ILE . 26305 1 163 163 ILE . 26305 1 164 164 ASN . 26305 1 165 165 GLY . 26305 1 166 166 GLY . 26305 1 167 167 LEU . 26305 1 168 168 GLU . 26305 1 169 169 CYS . 26305 1 170 170 ASN . 26305 1 171 171 GLN . 26305 1 172 172 PRO . 26305 1 173 173 ALA . 26305 1 174 174 GLY . 26305 1 175 175 SER . 26305 1 176 176 ILE . 26305 1 177 177 GLY . 26305 1 178 178 ASN . 26305 1 179 179 MET . 26305 1 180 180 GLN . 26305 1 181 181 MET . 26305 1 182 182 GLU . 26305 1 183 183 ASN . 26305 1 184 184 ARG . 26305 1 185 185 VAL . 26305 1 186 186 THR . 26305 1 187 187 TYR . 26305 1 188 188 TYR . 26305 1 189 189 THR . 26305 1 190 190 GLN . 26305 1 191 191 PHE . 26305 1 192 192 CYS . 26305 1 193 193 GLN . 26305 1 194 194 THR . 26305 1 195 195 LEU . 26305 1 196 196 GLY . 26305 1 197 197 VAL . 26305 1 198 198 ASP . 26305 1 199 199 PRO . 26305 1 200 200 GLY . 26305 1 201 201 THR . 26305 1 202 202 ASP . 26305 1 203 203 LEU . 26305 1 204 204 ARG . 26305 1 205 205 CYS . 26305 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 . GLN 1 1 26305 1 . SER 2 2 26305 1 . TRP 3 3 26305 1 . THR 4 4 26305 1 . SER 5 5 26305 1 . PHE 6 6 26305 1 . VAL 7 7 26305 1 . THR 8 8 26305 1 . PRO 9 9 26305 1 . ALA 10 10 26305 1 . VAL 11 11 26305 1 . PHE 12 12 26305 1 . GLU 13 13 26305 1 . GLY 14 14 26305 1 . TRP 15 15 26305 1 . PHE 16 16 26305 1 . PRO 17 17 26305 1 . ASN 18 18 26305 1 . ARG 19 19 26305 1 . ASN 20 20 26305 1 . PRO 21 21 26305 1 . PHE 22 22 26305 1 . TYR 23 23 26305 1 . THR 24 24 26305 1 . TYR 25 25 26305 1 . ASP 26 26 26305 1 . GLY 27 27 26305 1 . LEU 28 28 26305 1 . VAL 29 29 26305 1 . SER 30 30 26305 1 . ALA 31 31 26305 1 . SER 32 32 26305 1 . ASN 33 33 26305 1 . GLY 34 34 26305 1 . TYR 35 35 26305 1 . PRO 36 36 26305 1 . GLU 37 37 26305 1 . PHE 38 38 26305 1 . GLY 39 39 26305 1 . THR 40 40 26305 1 . THR 41 41 26305 1 . GLY 42 42 26305 1 . SER 43 43 26305 1 . LEU 44 44 26305 1 . ASP 45 45 26305 1 . ASP 46 46 26305 1 . GLN 47 47 26305 1 . LYS 48 48 26305 1 . ARG 49 49 26305 1 . GLU 50 50 26305 1 . LEU 51 51 26305 1 . ALA 52 52 26305 1 . ALA 53 53 26305 1 . PHE 54 54 26305 1 . LEU 55 55 26305 1 . GLY 56 56 26305 1 . ASN 57 57 26305 1 . ILE 58 58 26305 1 . ASN 59 59 26305 1 . GLN 60 60 26305 1 . GLN 61 61 26305 1 . SER 62 62 26305 1 . GLY 63 63 26305 1 . GLY 64 64 26305 1 . LEU 65 65 26305 1 . GLN 66 66 26305 1 . PHE 67 67 26305 1 . ILE 68 68 26305 1 . GLN 69 69 26305 1 . GLU 70 70 26305 1 . GLN 71 71 26305 1 . ASN 72 72 26305 1 . PRO 73 73 26305 1 . GLN 74 74 26305 1 . SER 75 75 26305 1 . ASP 76 76 26305 1 . TYR 77 77 26305 1 . CYS 78 78 26305 1 . ASP 79 79 26305 1 . THR 80 80 26305 1 . SER 81 81 26305 1 . SER 82 82 26305 1 . THR 83 83 26305 1 . GLN 84 84 26305 1 . TYR 85 85 26305 1 . PRO 86 86 26305 1 . CYS 87 87 26305 1 . ALA 88 88 26305 1 . ALA 89 89 26305 1 . GLY 90 90 26305 1 . LYS 91 91 26305 1 . GLN 92 92 26305 1 . TYR 93 93 26305 1 . TYR 94 94 26305 1 . GLY 95 95 26305 1 . ARG 96 96 26305 1 . GLY 97 97 26305 1 . PRO 98 98 26305 1 . ILE 99 99 26305 1 . GLN 100 100 26305 1 . LEU 101 101 26305 1 . SER 102 102 26305 1 . ALA 103 103 26305 1 . ASN 104 104 26305 1 . TYR 105 105 26305 1 . ASN 106 106 26305 1 . TYR 107 107 26305 1 . GLY 108 108 26305 1 . GLU 109 109 26305 1 . ALA 110 110 26305 1 . GLY 111 111 26305 1 . ALA 112 112 26305 1 . ASP 113 113 26305 1 . LEU 114 114 26305 1 . GLY 115 115 26305 1 . LEU 116 116 26305 1 . ASP 117 117 26305 1 . LEU 118 118 26305 1 . LEU 119 119 26305 1 . ASN 120 120 26305 1 . ASN 121 121 26305 1 . PRO 122 122 26305 1 . ASP 123 123 26305 1 . LEU 124 124 26305 1 . VAL 125 125 26305 1 . ALA 126 126 26305 1 . GLN 127 127 26305 1 . ASP 128 128 26305 1 . SER 129 129 26305 1 . THR 130 130 26305 1 . VAL 131 131 26305 1 . ALA 132 132 26305 1 . TRP 133 133 26305 1 . ARG 134 134 26305 1 . THR 135 135 26305 1 . ALA 136 136 26305 1 . LEU 137 137 26305 1 . TRP 138 138 26305 1 . PHE 139 139 26305 1 . TRP 140 140 26305 1 . MET 141 141 26305 1 . LYS 142 142 26305 1 . ARG 143 143 26305 1 . ASP 144 144 26305 1 . CYS 145 145 26305 1 . HIS 146 146 26305 1 . GLY 147 147 26305 1 . ALA 148 148 26305 1 . ILE 149 149 26305 1 . THR 150 150 26305 1 . ALA 151 151 26305 1 . SER 152 152 26305 1 . PRO 153 153 26305 1 . PRO 154 154 26305 1 . SER 155 155 26305 1 . PHE 156 156 26305 1 . SER 157 157 26305 1 . GLY 158 158 26305 1 . THR 159 159 26305 1 . ILE 160 160 26305 1 . ARG 161 161 26305 1 . ILE 162 162 26305 1 . ILE 163 163 26305 1 . ASN 164 164 26305 1 . GLY 165 165 26305 1 . GLY 166 166 26305 1 . LEU 167 167 26305 1 . GLU 168 168 26305 1 . CYS 169 169 26305 1 . ASN 170 170 26305 1 . GLN 171 171 26305 1 . PRO 172 172 26305 1 . ALA 173 173 26305 1 . GLY 174 174 26305 1 . SER 175 175 26305 1 . ILE 176 176 26305 1 . GLY 177 177 26305 1 . ASN 178 178 26305 1 . MET 179 179 26305 1 . GLN 180 180 26305 1 . MET 181 181 26305 1 . GLU 182 182 26305 1 . ASN 183 183 26305 1 . ARG 184 184 26305 1 . VAL 185 185 26305 1 . THR 186 186 26305 1 . TYR 187 187 26305 1 . TYR 188 188 26305 1 . THR 189 189 26305 1 . GLN 190 190 26305 1 . PHE 191 191 26305 1 . CYS 192 192 26305 1 . GLN 193 193 26305 1 . THR 194 194 26305 1 . LEU 195 195 26305 1 . GLY 196 196 26305 1 . VAL 197 197 26305 1 . ASP 198 198 26305 1 . PRO 199 199 26305 1 . GLY 200 200 26305 1 . THR 201 201 26305 1 . ASP 202 202 26305 1 . LEU 203 203 26305 1 . ARG 204 204 26305 1 . CYS 205 205 26305 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26305 _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 . 216087 organism . 'Gemmabryum coronatum' 'Gemmabryum coronatum' . . Eukaryota Viridiplantae Gemmabryum coronatum . . . . . . . . . . . . . 26305 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 26305 _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' 'E. coli' . 562 Escherichia coli . . . plasmid . . pET22b . . . 26305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26305 _Sample.ID 1 _Sample.Name BcChiA_E61QW103A _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BcChiA_E61QW103A '[U-13C; U-15N]' 1 $assembly_1 1 $entity_1 . protein 0.4 . . mM . . . . 26305 1 2 'sodium acetate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 26305 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26305 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26305 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 26305 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample condition' _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 'ionic strength' 50 . mM 26305 1 pH 5.0 . pH 26305 1 pressure 1 . atm 26305 1 temperature 300 . K 26305 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26305 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26305 1 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 26305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 26305 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26305 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26305 1 3 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26305 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26305 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26305 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 26305 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26305 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 26305 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26305 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 26305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shift' _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' 1 $sample_1 isotropic 26305 1 2 '3D HNCO' 1 $sample_1 isotropic 26305 1 3 '3D HNCACO' 1 $sample_1 isotropic 26305 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26305 1 5 '3D HNCACB' 1 $sample_1 isotropic 26305 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 . . 26305 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN H H 1 8.864 0.001 . 1 . . . . . 1 Q HN . 26305 1 2 . 1 . 1 1 1 GLN C C 13 176.258 0.005 . 1 . . . . . 1 Q CO . 26305 1 3 . 1 . 1 1 1 GLN CA C 13 55.234 0.079 . 1 . . . . . 1 Q CA . 26305 1 4 . 1 . 1 1 1 GLN CB C 13 30.286 0.048 . 1 . . . . . 1 Q CB . 26305 1 5 . 1 . 1 1 1 GLN N N 15 122.969 0.064 . 1 . . . . . 1 Q N . 26305 1 6 . 1 . 1 2 2 SER H H 1 8.644 0.001 . 1 . . . . . 2 S HN . 26305 1 7 . 1 . 1 2 2 SER C C 13 176.158 0.000 . 1 . . . . . 2 S CO . 26305 1 8 . 1 . 1 2 2 SER CA C 13 59.080 0.044 . 1 . . . . . 2 S CA . 26305 1 9 . 1 . 1 2 2 SER CB C 13 62.846 0.094 . 1 . . . . . 2 S CB . 26305 1 10 . 1 . 1 2 2 SER N N 15 116.781 0.069 . 1 . . . . . 2 S N . 26305 1 11 . 1 . 1 3 3 TRP H H 1 7.044 0.002 . 1 . . . . . 3 W HN . 26305 1 12 . 1 . 1 3 3 TRP C C 13 177.605 0.008 . 1 . . . . . 3 W CO . 26305 1 13 . 1 . 1 3 3 TRP CA C 13 56.917 0.000 . 1 . . . . . 3 W CA . 26305 1 14 . 1 . 1 3 3 TRP CB C 13 27.922 0.006 . 1 . . . . . 3 W CB . 26305 1 15 . 1 . 1 3 3 TRP N N 15 123.202 0.053 . 1 . . . . . 3 W N . 26305 1 16 . 1 . 1 4 4 THR H H 1 6.713 0.003 . 1 . . . . . 4 T HN . 26305 1 17 . 1 . 1 4 4 THR C C 13 174.562 0.000 . 1 . . . . . 4 T CO . 26305 1 18 . 1 . 1 4 4 THR CA C 13 62.614 0.000 . 1 . . . . . 4 T CA . 26305 1 19 . 1 . 1 4 4 THR CB C 13 68.646 0.000 . 1 . . . . . 4 T CB . 26305 1 20 . 1 . 1 4 4 THR N N 15 114.217 0.059 . 1 . . . . . 4 T N . 26305 1 21 . 1 . 1 5 5 SER H H 1 7.233 0.002 . 1 . . . . . 5 S HN . 26305 1 22 . 1 . 1 5 5 SER C C 13 174.630 0.019 . 1 . . . . . 5 S CO . 26305 1 23 . 1 . 1 5 5 SER CA C 13 60.265 0.000 . 1 . . . . . 5 S CA . 26305 1 24 . 1 . 1 5 5 SER CB C 13 63.400 0.000 . 1 . . . . . 5 S CB . 26305 1 25 . 1 . 1 5 5 SER N N 15 114.412 0.039 . 1 . . . . . 5 S N . 26305 1 26 . 1 . 1 6 6 PHE H H 1 6.767 0.001 . 1 . . . . . 6 F HN . 26305 1 27 . 1 . 1 6 6 PHE C C 13 176.194 0.013 . 1 . . . . . 6 F CO . 26305 1 28 . 1 . 1 6 6 PHE CA C 13 56.749 0.000 . 1 . . . . . 6 F CA . 26305 1 29 . 1 . 1 6 6 PHE CB C 13 39.685 0.097 . 1 . . . . . 6 F CB . 26305 1 30 . 1 . 1 6 6 PHE N N 15 114.455 0.080 . 1 . . . . . 6 F N . 26305 1 31 . 1 . 1 7 7 VAL H H 1 7.853 0.006 . 1 . . . . . 7 V HN . 26305 1 32 . 1 . 1 7 7 VAL C C 13 173.618 0.006 . 1 . . . . . 7 V CO . 26305 1 33 . 1 . 1 7 7 VAL CA C 13 62.925 0.066 . 1 . . . . . 7 V CA . 26305 1 34 . 1 . 1 7 7 VAL CB C 13 30.342 0.000 . 1 . . . . . 7 V CB . 26305 1 35 . 1 . 1 7 7 VAL N N 15 125.413 0.055 . 1 . . . . . 7 V N . 26305 1 36 . 1 . 1 8 8 THR H H 1 6.205 0.005 . 1 . . . . . 8 T HN . 26305 1 37 . 1 . 1 8 8 THR N N 15 114.967 0.030 . 1 . . . . . 8 T N . 26305 1 38 . 1 . 1 9 9 PRO C C 13 177.940 0.004 . 1 . . . . . 9 P CO . 26305 1 39 . 1 . 1 9 9 PRO CA C 13 65.915 0.136 . 1 . . . . . 9 P CA . 26305 1 40 . 1 . 1 9 9 PRO CB C 13 30.307 0.000 . 1 . . . . . 9 P CB . 26305 1 41 . 1 . 1 10 10 ALA H H 1 7.469 0.001 . 1 . . . . . 10 A HN . 26305 1 42 . 1 . 1 10 10 ALA C C 13 181.039 0.014 . 1 . . . . . 10 A CO . 26305 1 43 . 1 . 1 10 10 ALA CA C 13 54.809 0.066 . 1 . . . . . 10 A CA . 26305 1 44 . 1 . 1 10 10 ALA CB C 13 18.231 0.006 . 1 . . . . . 10 A CB . 26305 1 45 . 1 . 1 10 10 ALA N N 15 116.444 0.054 . 1 . . . . . 10 A N . 26305 1 46 . 1 . 1 11 11 VAL H H 1 7.188 0.004 . 1 . . . . . 11 V HN . 26305 1 47 . 1 . 1 11 11 VAL C C 13 177.247 0.000 . 1 . . . . . 11 V CO . 26305 1 48 . 1 . 1 11 11 VAL CA C 13 65.097 0.000 . 1 . . . . . 11 V CA . 26305 1 49 . 1 . 1 11 11 VAL CB C 13 31.471 0.022 . 1 . . . . . 11 V CB . 26305 1 50 . 1 . 1 11 11 VAL N N 15 121.232 0.048 . 1 . . . . . 11 V N . 26305 1 51 . 1 . 1 12 12 PHE H H 1 7.842 0.008 . 1 . . . . . 12 F HN . 26305 1 52 . 1 . 1 12 12 PHE C C 13 176.238 0.000 . 1 . . . . . 12 F CO . 26305 1 53 . 1 . 1 12 12 PHE CA C 13 62.171 0.023 . 1 . . . . . 12 F CA . 26305 1 54 . 1 . 1 12 12 PHE CB C 13 40.565 0.000 . 1 . . . . . 12 F CB . 26305 1 55 . 1 . 1 12 12 PHE N N 15 119.375 0.052 . 1 . . . . . 12 F N . 26305 1 56 . 1 . 1 13 13 GLU H H 1 8.506 0.003 . 1 . . . . . 13 E HN . 26305 1 57 . 1 . 1 13 13 GLU C C 13 178.740 0.011 . 1 . . . . . 13 E CO . 26305 1 58 . 1 . 1 13 13 GLU CA C 13 58.880 0.133 . 1 . . . . . 13 E CA . 26305 1 59 . 1 . 1 13 13 GLU CB C 13 28.766 0.021 . 1 . . . . . 13 E CB . 26305 1 60 . 1 . 1 13 13 GLU N N 15 117.049 0.052 . 1 . . . . . 13 E N . 26305 1 61 . 1 . 1 14 14 GLY H H 1 7.477 0.001 . 1 . . . . . 14 G HN . 26305 1 62 . 1 . 1 14 14 GLY C C 13 176.359 0.004 . 1 . . . . . 14 G CO . 26305 1 63 . 1 . 1 14 14 GLY CA C 13 46.063 0.013 . 1 . . . . . 14 G CA . 26305 1 64 . 1 . 1 14 14 GLY N N 15 104.072 0.022 . 1 . . . . . 14 G N . 26305 1 65 . 1 . 1 15 15 TRP H H 1 7.540 0.001 . 1 . . . . . 15 W HN . 26305 1 66 . 1 . 1 15 15 TRP C C 13 176.580 0.000 . 1 . . . . . 15 W CO . 26305 1 67 . 1 . 1 15 15 TRP CA C 13 55.663 0.000 . 1 . . . . . 15 W CA . 26305 1 68 . 1 . 1 15 15 TRP CB C 13 30.331 0.045 . 1 . . . . . 15 W CB . 26305 1 69 . 1 . 1 15 15 TRP N N 15 121.097 0.043 . 1 . . . . . 15 W N . 26305 1 70 . 1 . 1 16 16 PHE H H 1 7.393 0.002 . 1 . . . . . 16 F HN . 26305 1 71 . 1 . 1 16 16 PHE CB C 13 39.518 0.000 . 1 . . . . . 16 F CB . 26305 1 72 . 1 . 1 16 16 PHE N N 15 114.629 0.077 . 1 . . . . . 16 F N . 26305 1 73 . 1 . 1 17 17 PRO CA C 13 64.903 0.051 . 1 . . . . . 17 P CA . 26305 1 74 . 1 . 1 17 17 PRO CB C 13 31.851 0.000 . 1 . . . . . 17 P CB . 26305 1 75 . 1 . 1 18 18 ASN H H 1 8.422 0.004 . 1 . . . . . 18 N HN . 26305 1 76 . 1 . 1 18 18 ASN C C 13 173.993 0.000 . 1 . . . . . 18 N CO . 26305 1 77 . 1 . 1 18 18 ASN CA C 13 52.096 0.030 . 1 . . . . . 18 N CA . 26305 1 78 . 1 . 1 18 18 ASN CB C 13 39.024 0.065 . 1 . . . . . 18 N CB . 26305 1 79 . 1 . 1 18 18 ASN N N 15 117.232 0.054 . 1 . . . . . 18 N N . 26305 1 80 . 1 . 1 19 19 ARG H H 1 6.785 0.002 . 1 . . . . . 19 R HN . 26305 1 81 . 1 . 1 19 19 ARG C C 13 175.232 0.027 . 1 . . . . . 19 R CO . 26305 1 82 . 1 . 1 19 19 ARG CA C 13 54.868 0.148 . 1 . . . . . 19 R CA . 26305 1 83 . 1 . 1 19 19 ARG CB C 13 31.273 0.065 . 1 . . . . . 19 R CB . 26305 1 84 . 1 . 1 19 19 ARG N N 15 116.146 0.067 . 1 . . . . . 19 R N . 26305 1 85 . 1 . 1 20 20 ASN H H 1 8.748 0.004 . 1 . . . . . 20 N HN . 26305 1 86 . 1 . 1 20 20 ASN C C 13 175.194 0.000 . 1 . . . . . 20 N CO . 26305 1 87 . 1 . 1 20 20 ASN CA C 13 52.102 0.000 . 1 . . . . . 20 N CA . 26305 1 88 . 1 . 1 20 20 ASN CB C 13 39.692 0.000 . 1 . . . . . 20 N CB . 26305 1 89 . 1 . 1 20 20 ASN N N 15 124.533 0.094 . 1 . . . . . 20 N N . 26305 1 90 . 1 . 1 21 21 PRO C C 13 176.021 0.020 . 1 . . . . . 21 P CO . 26305 1 91 . 1 . 1 21 21 PRO CA C 13 64.341 0.047 . 1 . . . . . 21 P CA . 26305 1 92 . 1 . 1 21 21 PRO CB C 13 31.722 0.000 . 1 . . . . . 21 P CB . 26305 1 93 . 1 . 1 22 22 PHE H H 1 8.572 0.002 . 1 . . . . . 22 F HN . 26305 1 94 . 1 . 1 22 22 PHE C C 13 176.101 0.029 . 1 . . . . . 22 F CO . 26305 1 95 . 1 . 1 22 22 PHE CA C 13 60.757 0.004 . 1 . . . . . 22 F CA . 26305 1 96 . 1 . 1 22 22 PHE CB C 13 42.282 0.014 . 1 . . . . . 22 F CB . 26305 1 97 . 1 . 1 22 22 PHE N N 15 119.671 0.059 . 1 . . . . . 22 F N . 26305 1 98 . 1 . 1 23 23 TYR H H 1 8.210 0.003 . 1 . . . . . 23 Y HN . 26305 1 99 . 1 . 1 23 23 TYR C C 13 174.995 0.004 . 1 . . . . . 23 Y CO . 26305 1 100 . 1 . 1 23 23 TYR CA C 13 58.253 0.063 . 1 . . . . . 23 Y CA . 26305 1 101 . 1 . 1 23 23 TYR CB C 13 39.965 0.086 . 1 . . . . . 23 Y CB . 26305 1 102 . 1 . 1 23 23 TYR N N 15 113.962 0.069 . 1 . . . . . 23 Y N . 26305 1 103 . 1 . 1 24 24 THR H H 1 8.902 0.005 . 1 . . . . . 24 T HN . 26305 1 104 . 1 . 1 24 24 THR C C 13 174.226 0.016 . 1 . . . . . 24 T CO . 26305 1 105 . 1 . 1 24 24 THR CA C 13 58.148 0.106 . 1 . . . . . 24 T CA . 26305 1 106 . 1 . 1 24 24 THR CB C 13 71.974 0.063 . 1 . . . . . 24 T CB . 26305 1 107 . 1 . 1 24 24 THR N N 15 113.172 0.037 . 1 . . . . . 24 T N . 26305 1 108 . 1 . 1 25 25 TYR H H 1 9.034 0.003 . 1 . . . . . 25 Y HN . 26305 1 109 . 1 . 1 25 25 TYR C C 13 176.601 0.006 . 1 . . . . . 25 Y CO . 26305 1 110 . 1 . 1 25 25 TYR CA C 13 60.791 0.000 . 1 . . . . . 25 Y CA . 26305 1 111 . 1 . 1 25 25 TYR CB C 13 38.297 0.154 . 1 . . . . . 25 Y CB . 26305 1 112 . 1 . 1 25 25 TYR N N 15 124.318 0.035 . 1 . . . . . 25 Y N . 26305 1 113 . 1 . 1 26 26 ASP H H 1 8.386 0.002 . 1 . . . . . 26 D HN . 26305 1 114 . 1 . 1 26 26 ASP C C 13 178.648 0.012 . 1 . . . . . 26 D CO . 26305 1 115 . 1 . 1 26 26 ASP CA C 13 56.804 0.022 . 1 . . . . . 26 D CA . 26305 1 116 . 1 . 1 26 26 ASP CB C 13 39.998 0.089 . 1 . . . . . 26 D CB . 26305 1 117 . 1 . 1 26 26 ASP N N 15 115.598 0.066 . 1 . . . . . 26 D N . 26305 1 118 . 1 . 1 27 27 GLY H H 1 7.868 0.003 . 1 . . . . . 27 G HN . 26305 1 119 . 1 . 1 27 27 GLY C C 13 174.671 0.016 . 1 . . . . . 27 G CO . 26305 1 120 . 1 . 1 27 27 GLY CA C 13 46.849 0.000 . 1 . . . . . 27 G CA . 26305 1 121 . 1 . 1 27 27 GLY N N 15 108.539 0.089 . 1 . . . . . 27 G N . 26305 1 122 . 1 . 1 28 28 LEU H H 1 6.316 0.002 . 1 . . . . . 28 L HN . 26305 1 123 . 1 . 1 28 28 LEU C C 13 178.136 0.001 . 1 . . . . . 28 L CO . 26305 1 124 . 1 . 1 28 28 LEU CA C 13 57.551 0.058 . 1 . . . . . 28 L CA . 26305 1 125 . 1 . 1 28 28 LEU CB C 13 38.408 0.000 . 1 . . . . . 28 L CB . 26305 1 126 . 1 . 1 28 28 LEU N N 15 124.844 0.031 . 1 . . . . . 28 L N . 26305 1 127 . 1 . 1 29 29 VAL H H 1 7.721 0.002 . 1 . . . . . 29 V HN . 26305 1 128 . 1 . 1 29 29 VAL C C 13 179.800 0.018 . 1 . . . . . 29 V CO . 26305 1 129 . 1 . 1 29 29 VAL CA C 13 66.911 0.044 . 1 . . . . . 29 V CA . 26305 1 130 . 1 . 1 29 29 VAL CB C 13 31.358 0.000 . 1 . . . . . 29 V CB . 26305 1 131 . 1 . 1 29 29 VAL N N 15 119.460 0.042 . 1 . . . . . 29 V N . 26305 1 132 . 1 . 1 30 30 SER H H 1 8.226 0.005 . 1 . . . . . 30 S HN . 26305 1 133 . 1 . 1 30 30 SER C C 13 177.948 0.004 . 1 . . . . . 30 S CO . 26305 1 134 . 1 . 1 30 30 SER CA C 13 61.259 0.023 . 1 . . . . . 30 S CA . 26305 1 135 . 1 . 1 30 30 SER CB C 13 62.917 0.051 . 1 . . . . . 30 S CB . 26305 1 136 . 1 . 1 30 30 SER N N 15 114.453 0.049 . 1 . . . . . 30 S N . 26305 1 137 . 1 . 1 31 31 ALA H H 1 8.348 0.001 . 1 . . . . . 31 A HN . 26305 1 138 . 1 . 1 31 31 ALA C C 13 180.264 0.010 . 1 . . . . . 31 A CO . 26305 1 139 . 1 . 1 31 31 ALA CA C 13 54.729 0.044 . 1 . . . . . 31 A CA . 26305 1 140 . 1 . 1 31 31 ALA CB C 13 20.235 0.045 . 1 . . . . . 31 A CB . 26305 1 141 . 1 . 1 31 31 ALA N N 15 122.844 0.046 . 1 . . . . . 31 A N . 26305 1 142 . 1 . 1 32 32 SER H H 1 8.406 0.002 . 1 . . . . . 32 S HN . 26305 1 143 . 1 . 1 32 32 SER C C 13 175.883 0.000 . 1 . . . . . 32 S CO . 26305 1 144 . 1 . 1 32 32 SER CA C 13 62.111 0.031 . 1 . . . . . 32 S CA . 26305 1 145 . 1 . 1 32 32 SER N N 15 114.629 0.066 . 1 . . . . . 32 S N . 26305 1 146 . 1 . 1 33 33 ASN H H 1 7.532 0.002 . 1 . . . . . 33 N HN . 26305 1 147 . 1 . 1 33 33 ASN C C 13 176.881 0.005 . 1 . . . . . 33 N CO . 26305 1 148 . 1 . 1 33 33 ASN CA C 13 55.388 0.121 . 1 . . . . . 33 N CA . 26305 1 149 . 1 . 1 33 33 ASN CB C 13 38.048 0.102 . 1 . . . . . 33 N CB . 26305 1 150 . 1 . 1 33 33 ASN N N 15 121.165 0.034 . 1 . . . . . 33 N N . 26305 1 151 . 1 . 1 34 34 GLY H H 1 7.506 0.004 . 1 . . . . . 34 G HN . 26305 1 152 . 1 . 1 34 34 GLY C C 13 172.549 0.014 . 1 . . . . . 34 G CO . 26305 1 153 . 1 . 1 34 34 GLY CA C 13 44.995 0.011 . 1 . . . . . 34 G CA . 26305 1 154 . 1 . 1 34 34 GLY N N 15 103.496 0.058 . 1 . . . . . 34 G N . 26305 1 155 . 1 . 1 35 35 TYR H H 1 7.473 0.003 . 1 . . . . . 35 Y HN . 26305 1 156 . 1 . 1 35 35 TYR C C 13 173.242 0.000 . 1 . . . . . 35 Y CO . 26305 1 157 . 1 . 1 35 35 TYR CA C 13 55.783 0.000 . 1 . . . . . 35 Y CA . 26305 1 158 . 1 . 1 35 35 TYR CB C 13 40.185 0.000 . 1 . . . . . 35 Y CB . 26305 1 159 . 1 . 1 35 35 TYR N N 15 117.744 0.044 . 1 . . . . . 35 Y N . 26305 1 160 . 1 . 1 36 36 PRO C C 13 177.378 0.000 . 1 . . . . . 36 P CO . 26305 1 161 . 1 . 1 36 36 PRO CA C 13 48.362 . . 1 . . . . . 36 P CA . 26305 1 162 . 1 . 1 37 37 GLU H H 1 9.027 0.006 . 1 . . . . . 37 E HN . 26305 1 163 . 1 . 1 37 37 GLU C C 13 179.028 0.007 . 1 . . . . . 37 E CO . 26305 1 164 . 1 . 1 37 37 GLU CA C 13 57.692 0.068 . 1 . . . . . 37 E CA . 26305 1 165 . 1 . 1 37 37 GLU CB C 13 28.753 0.157 . 1 . . . . . 37 E CB . 26305 1 166 . 1 . 1 37 37 GLU N N 15 114.181 0.033 . 1 . . . . . 37 E N . 26305 1 167 . 1 . 1 38 38 PHE H H 1 8.379 0.002 . 1 . . . . . 38 F HN . 26305 1 168 . 1 . 1 38 38 PHE C C 13 175.586 0.007 . 1 . . . . . 38 F CO . 26305 1 169 . 1 . 1 38 38 PHE CA C 13 59.617 0.015 . 1 . . . . . 38 F CA . 26305 1 170 . 1 . 1 38 38 PHE CB C 13 37.310 0.087 . 1 . . . . . 38 F CB . 26305 1 171 . 1 . 1 38 38 PHE N N 15 123.746 0.053 . 1 . . . . . 38 F N . 26305 1 172 . 1 . 1 39 39 GLY H H 1 8.438 0.011 . 1 . . . . . 39 G HN . 26305 1 173 . 1 . 1 39 39 GLY C C 13 172.849 0.000 . 1 . . . . . 39 G CO . 26305 1 174 . 1 . 1 39 39 GLY CA C 13 46.806 0.052 . 1 . . . . . 39 G CA . 26305 1 175 . 1 . 1 39 39 GLY N N 15 117.138 0.052 . 1 . . . . . 39 G N . 26305 1 176 . 1 . 1 40 40 THR H H 1 7.161 0.005 . 1 . . . . . 40 T HN . 26305 1 177 . 1 . 1 40 40 THR C C 13 174.293 0.007 . 1 . . . . . 40 T CO . 26305 1 178 . 1 . 1 40 40 THR CA C 13 60.969 0.000 . 1 . . . . . 40 T CA . 26305 1 179 . 1 . 1 40 40 THR CB C 13 69.886 0.081 . 1 . . . . . 40 T CB . 26305 1 180 . 1 . 1 40 40 THR N N 15 106.252 0.045 . 1 . . . . . 40 T N . 26305 1 181 . 1 . 1 41 41 THR H H 1 9.146 0.003 . 1 . . . . . 41 T HN . 26305 1 182 . 1 . 1 41 41 THR C C 13 173.094 0.011 . 1 . . . . . 41 T CO . 26305 1 183 . 1 . 1 41 41 THR CA C 13 63.528 0.110 . 1 . . . . . 41 T CA . 26305 1 184 . 1 . 1 41 41 THR CB C 13 70.864 0.038 . 1 . . . . . 41 T CB . 26305 1 185 . 1 . 1 41 41 THR N N 15 122.455 0.048 . 1 . . . . . 41 T N . 26305 1 186 . 1 . 1 42 42 GLY H H 1 8.460 0.002 . 1 . . . . . 42 G HN . 26305 1 187 . 1 . 1 42 42 GLY C C 13 175.699 0.003 . 1 . . . . . 42 G CO . 26305 1 188 . 1 . 1 42 42 GLY CA C 13 44.009 0.021 . 1 . . . . . 42 G CA . 26305 1 189 . 1 . 1 42 42 GLY N N 15 112.424 0.053 . 1 . . . . . 42 G N . 26305 1 190 . 1 . 1 43 43 SER H H 1 9.384 0.003 . 1 . . . . . 43 S HN . 26305 1 191 . 1 . 1 43 43 SER C C 13 174.677 0.005 . 1 . . . . . 43 S CO . 26305 1 192 . 1 . 1 43 43 SER CA C 13 57.533 0.010 . 1 . . . . . 43 S CA . 26305 1 193 . 1 . 1 43 43 SER CB C 13 65.616 0.023 . 1 . . . . . 43 S CB . 26305 1 194 . 1 . 1 43 43 SER N N 15 118.885 0.074 . 1 . . . . . 43 S N . 26305 1 195 . 1 . 1 44 44 LEU H H 1 8.721 0.002 . 1 . . . . . 44 L HN . 26305 1 196 . 1 . 1 44 44 LEU C C 13 178.099 0.013 . 1 . . . . . 44 L CO . 26305 1 197 . 1 . 1 44 44 LEU CA C 13 57.946 0.117 . 1 . . . . . 44 L CA . 26305 1 198 . 1 . 1 44 44 LEU CB C 13 41.028 0.005 . 1 . . . . . 44 L CB . 26305 1 199 . 1 . 1 44 44 LEU N N 15 121.932 0.051 . 1 . . . . . 44 L N . 26305 1 200 . 1 . 1 45 45 ASP H H 1 7.731 0.001 . 1 . . . . . 45 D HN . 26305 1 201 . 1 . 1 45 45 ASP C C 13 177.641 0.019 . 1 . . . . . 45 D CO . 26305 1 202 . 1 . 1 45 45 ASP CA C 13 57.029 0.175 . 1 . . . . . 45 D CA . 26305 1 203 . 1 . 1 45 45 ASP CB C 13 39.992 0.100 . 1 . . . . . 45 D CB . 26305 1 204 . 1 . 1 45 45 ASP N N 15 116.304 0.062 . 1 . . . . . 45 D N . 26305 1 205 . 1 . 1 46 46 ASP H H 1 7.416 0.003 . 1 . . . . . 46 D HN . 26305 1 206 . 1 . 1 46 46 ASP C C 13 177.618 0.006 . 1 . . . . . 46 D CO . 26305 1 207 . 1 . 1 46 46 ASP CA C 13 57.155 0.103 . 1 . . . . . 46 D CA . 26305 1 208 . 1 . 1 46 46 ASP CB C 13 40.958 0.036 . 1 . . . . . 46 D CB . 26305 1 209 . 1 . 1 46 46 ASP N N 15 120.373 0.077 . 1 . . . . . 46 D N . 26305 1 210 . 1 . 1 47 47 GLN H H 1 8.003 0.003 . 1 . . . . . 47 Q HN . 26305 1 211 . 1 . 1 47 47 GLN C C 13 178.705 0.000 . 1 . . . . . 47 Q CO . 26305 1 212 . 1 . 1 47 47 GLN CA C 13 58.344 0.211 . 1 . . . . . 47 Q CA . 26305 1 213 . 1 . 1 47 47 GLN CB C 13 28.870 0.118 . 1 . . . . . 47 Q CB . 26305 1 214 . 1 . 1 47 47 GLN N N 15 120.512 0.066 . 1 . . . . . 47 Q N . 26305 1 215 . 1 . 1 48 48 LYS H H 1 7.853 0.002 . 1 . . . . . 48 K HN . 26305 1 216 . 1 . 1 48 48 LYS C C 13 178.443 0.000 . 1 . . . . . 48 K CO . 26305 1 217 . 1 . 1 48 48 LYS CA C 13 59.344 0.000 . 1 . . . . . 48 K CA . 26305 1 218 . 1 . 1 48 48 LYS CB C 13 34.019 0.006 . 1 . . . . . 48 K CB . 26305 1 219 . 1 . 1 48 48 LYS N N 15 117.551 0.048 . 1 . . . . . 48 K N . 26305 1 220 . 1 . 1 49 49 ARG H H 1 8.487 0.003 . 1 . . . . . 49 R HN . 26305 1 221 . 1 . 1 49 49 ARG C C 13 179.501 0.003 . 1 . . . . . 49 R CO . 26305 1 222 . 1 . 1 49 49 ARG CA C 13 61.428 0.086 . 1 . . . . . 49 R CA . 26305 1 223 . 1 . 1 49 49 ARG CB C 13 32.119 0.039 . 1 . . . . . 49 R CB . 26305 1 224 . 1 . 1 49 49 ARG N N 15 117.819 0.053 . 1 . . . . . 49 R N . 26305 1 225 . 1 . 1 50 50 GLU H H 1 8.779 0.001 . 1 . . . . . 50 E HN . 26305 1 226 . 1 . 1 50 50 GLU C C 13 177.630 0.022 . 1 . . . . . 50 E CO . 26305 1 227 . 1 . 1 50 50 GLU CA C 13 61.486 0.040 . 1 . . . . . 50 E CA . 26305 1 228 . 1 . 1 50 50 GLU CB C 13 26.880 0.019 . 1 . . . . . 50 E CB . 26305 1 229 . 1 . 1 50 50 GLU N N 15 118.456 0.073 . 1 . . . . . 50 E N . 26305 1 230 . 1 . 1 51 51 LEU H H 1 7.699 0.004 . 1 . . . . . 51 L HN . 26305 1 231 . 1 . 1 51 51 LEU C C 13 179.694 0.008 . 1 . . . . . 51 L CO . 26305 1 232 . 1 . 1 51 51 LEU CA C 13 55.110 0.025 . 1 . . . . . 51 L CA . 26305 1 233 . 1 . 1 51 51 LEU CB C 13 40.502 0.027 . 1 . . . . . 51 L CB . 26305 1 234 . 1 . 1 51 51 LEU N N 15 123.159 0.064 . 1 . . . . . 51 L N . 26305 1 235 . 1 . 1 52 52 ALA H H 1 8.677 0.002 . 1 . . . . . 52 A HN . 26305 1 236 . 1 . 1 52 52 ALA C C 13 180.338 0.030 . 1 . . . . . 52 A CO . 26305 1 237 . 1 . 1 52 52 ALA CA C 13 55.604 0.088 . 1 . . . . . 52 A CA . 26305 1 238 . 1 . 1 52 52 ALA CB C 13 20.152 0.000 . 1 . . . . . 52 A CB . 26305 1 239 . 1 . 1 52 52 ALA N N 15 120.464 0.053 . 1 . . . . . 52 A N . 26305 1 240 . 1 . 1 53 53 ALA H H 1 9.680 0.002 . 1 . . . . . 53 A HN . 26305 1 241 . 1 . 1 53 53 ALA C C 13 180.257 0.032 . 1 . . . . . 53 A CO . 26305 1 242 . 1 . 1 53 53 ALA CA C 13 55.491 0.000 . 1 . . . . . 53 A CA . 26305 1 243 . 1 . 1 53 53 ALA CB C 13 19.465 0.074 . 1 . . . . . 53 A CB . 26305 1 244 . 1 . 1 53 53 ALA N N 15 121.317 0.055 . 1 . . . . . 53 A N . 26305 1 245 . 1 . 1 54 54 PHE H H 1 9.082 0.018 . 1 . . . . . 54 F HN . 26305 1 246 . 1 . 1 54 54 PHE C C 13 176.664 0.000 . 1 . . . . . 54 F CO . 26305 1 247 . 1 . 1 54 54 PHE CA C 13 60.502 0.000 . 1 . . . . . 54 F CA . 26305 1 248 . 1 . 1 54 54 PHE CB C 13 39.039 0.363 . 1 . . . . . 54 F CB . 26305 1 249 . 1 . 1 54 54 PHE N N 15 124.016 0.087 . 1 . . . . . 54 F N . 26305 1 250 . 1 . 1 55 55 LEU H H 1 8.771 0.001 . 1 . . . . . 55 L HN . 26305 1 251 . 1 . 1 55 55 LEU C C 13 179.481 0.015 . 1 . . . . . 55 L CO . 26305 1 252 . 1 . 1 55 55 LEU CA C 13 57.700 0.101 . 1 . . . . . 55 L CA . 26305 1 253 . 1 . 1 55 55 LEU CB C 13 39.198 0.028 . 1 . . . . . 55 L CB . 26305 1 254 . 1 . 1 55 55 LEU N N 15 117.062 0.041 . 1 . . . . . 55 L N . 26305 1 255 . 1 . 1 56 56 GLY H H 1 9.223 0.001 . 1 . . . . . 56 G HN . 26305 1 256 . 1 . 1 56 56 GLY C C 13 175.163 0.000 . 1 . . . . . 56 G CO . 26305 1 257 . 1 . 1 56 56 GLY CA C 13 47.674 0.005 . 1 . . . . . 56 G CA . 26305 1 258 . 1 . 1 56 56 GLY N N 15 113.155 0.046 . 1 . . . . . 56 G N . 26305 1 259 . 1 . 1 57 57 ASN H H 1 7.827 0.003 . 1 . . . . . 57 N HN . 26305 1 260 . 1 . 1 57 57 ASN CA C 13 58.098 0.000 . 1 . . . . . 57 N CA . 26305 1 261 . 1 . 1 57 57 ASN N N 15 118.794 0.003 . 1 . . . . . 57 N N . 26305 1 262 . 1 . 1 58 58 ILE C C 13 179.324 0.000 . 1 . . . . . 58 I CO . 26305 1 263 . 1 . 1 58 58 ILE CA C 13 63.124 0.000 . 1 . . . . . 58 I CA . 26305 1 264 . 1 . 1 58 58 ILE CB C 13 35.733 0.000 . 1 . . . . . 58 I CB . 26305 1 265 . 1 . 1 59 59 ASN H H 1 8.968 0.004 . 1 . . . . . 59 N HN . 26305 1 266 . 1 . 1 59 59 ASN C C 13 176.638 0.007 . 1 . . . . . 59 N CO . 26305 1 267 . 1 . 1 59 59 ASN CA C 13 57.490 0.056 . 1 . . . . . 59 N CA . 26305 1 268 . 1 . 1 59 59 ASN CB C 13 37.342 0.026 . 1 . . . . . 59 N CB . 26305 1 269 . 1 . 1 59 59 ASN N N 15 123.382 0.051 . 1 . . . . . 59 N N . 26305 1 270 . 1 . 1 60 60 GLN H H 1 7.051 0.007 . 1 . . . . . 60 Q HN . 26305 1 271 . 1 . 1 60 60 GLN CB C 13 28.031 0.000 . 1 . . . . . 60 Q CB . 26305 1 272 . 1 . 1 60 60 GLN N N 15 116.202 0.035 . 1 . . . . . 60 Q N . 26305 1 273 . 1 . 1 61 61 GLN CA C 13 58.228 0.000 . 1 . . . . . 61 Q CA . 26305 1 274 . 1 . 1 62 62 SER H H 1 8.174 0.000 . 1 . . . . . 62 S HN . 26305 1 275 . 1 . 1 62 62 SER CA C 13 57.493 0.000 . 1 . . . . . 62 S CA . 26305 1 276 . 1 . 1 62 62 SER CB C 13 66.023 0.000 . 1 . . . . . 62 S CB . 26305 1 277 . 1 . 1 62 62 SER N N 15 106.392 0.019 . 1 . . . . . 62 S N . 26305 1 278 . 1 . 1 63 63 GLY H H 1 7.364 0.004 . 1 . . . . . 63 G HN . 26305 1 279 . 1 . 1 63 63 GLY C C 13 177.236 0.000 . 1 . . . . . 63 G CO . 26305 1 280 . 1 . 1 63 63 GLY CA C 13 47.978 0.023 . 1 . . . . . 63 G CA . 26305 1 281 . 1 . 1 63 63 GLY N N 15 115.177 0.020 . 1 . . . . . 63 G N . 26305 1 282 . 1 . 1 64 64 GLY H H 1 8.923 0.001 . 1 . . . . . 64 G HN . 26305 1 283 . 1 . 1 64 64 GLY C C 13 175.406 0.039 . 1 . . . . . 64 G CO . 26305 1 284 . 1 . 1 64 64 GLY CA C 13 46.914 0.000 . 1 . . . . . 64 G CA . 26305 1 285 . 1 . 1 64 64 GLY N N 15 107.719 0.061 . 1 . . . . . 64 G N . 26305 1 286 . 1 . 1 65 65 LEU H H 1 7.896 0.004 . 1 . . . . . 65 L HN . 26305 1 287 . 1 . 1 65 65 LEU C C 13 175.478 0.012 . 1 . . . . . 65 L CO . 26305 1 288 . 1 . 1 65 65 LEU CA C 13 55.121 0.033 . 1 . . . . . 65 L CA . 26305 1 289 . 1 . 1 65 65 LEU CB C 13 37.810 0.000 . 1 . . . . . 65 L CB . 26305 1 290 . 1 . 1 65 65 LEU N N 15 111.144 0.050 . 1 . . . . . 65 L N . 26305 1 291 . 1 . 1 66 66 GLN H H 1 7.324 0.002 . 1 . . . . . 66 Q HN . 26305 1 292 . 1 . 1 66 66 GLN C C 13 176.250 0.000 . 1 . . . . . 66 Q CO . 26305 1 293 . 1 . 1 66 66 GLN CA C 13 57.903 0.044 . 1 . . . . . 66 Q CA . 26305 1 294 . 1 . 1 66 66 GLN CB C 13 30.450 0.017 . 1 . . . . . 66 Q CB . 26305 1 295 . 1 . 1 66 66 GLN N N 15 115.175 0.061 . 1 . . . . . 66 Q N . 26305 1 296 . 1 . 1 67 67 PHE H H 1 7.961 0.001 . 1 . . . . . 67 F HN . 26305 1 297 . 1 . 1 67 67 PHE CA C 13 58.048 0.000 . 1 . . . . . 67 F CA . 26305 1 298 . 1 . 1 67 67 PHE CB C 13 39.337 0.056 . 1 . . . . . 67 F CB . 26305 1 299 . 1 . 1 67 67 PHE N N 15 118.285 0.034 . 1 . . . . . 67 F N . 26305 1 300 . 1 . 1 68 68 ILE H H 1 8.763 0.003 . 1 . . . . . 68 I HN . 26305 1 301 . 1 . 1 68 68 ILE CA C 13 63.873 0.000 . 1 . . . . . 68 I CA . 26305 1 302 . 1 . 1 68 68 ILE N N 15 127.847 0.029 . 1 . . . . . 68 I N . 26305 1 303 . 1 . 1 69 69 GLN C C 13 173.300 0.023 . 1 . . . . . 69 Q CO . 26305 1 304 . 1 . 1 69 69 GLN CA C 13 53.356 0.018 . 1 . . . . . 69 Q CA . 26305 1 305 . 1 . 1 69 69 GLN CB C 13 32.327 0.000 . 1 . . . . . 69 Q CB . 26305 1 306 . 1 . 1 70 70 GLU H H 1 8.127 0.003 . 1 . . . . . 70 E HN . 26305 1 307 . 1 . 1 70 70 GLU C C 13 174.843 0.008 . 1 . . . . . 70 E CO . 26305 1 308 . 1 . 1 70 70 GLU CA C 13 57.149 0.121 . 1 . . . . . 70 E CA . 26305 1 309 . 1 . 1 70 70 GLU CB C 13 30.706 0.082 . 1 . . . . . 70 E CB . 26305 1 310 . 1 . 1 70 70 GLU N N 15 123.334 0.059 . 1 . . . . . 70 E N . 26305 1 311 . 1 . 1 71 71 GLN H H 1 8.437 0.002 . 1 . . . . . 71 Q HN . 26305 1 312 . 1 . 1 71 71 GLN C C 13 175.542 0.004 . 1 . . . . . 71 Q CO . 26305 1 313 . 1 . 1 71 71 GLN CA C 13 55.677 0.006 . 1 . . . . . 71 Q CA . 26305 1 314 . 1 . 1 71 71 GLN CB C 13 29.458 0.067 . 1 . . . . . 71 Q CB . 26305 1 315 . 1 . 1 71 71 GLN N N 15 124.815 0.048 . 1 . . . . . 71 Q N . 26305 1 316 . 1 . 1 72 72 ASN H H 1 8.839 0.001 . 1 . . . . . 72 N HN . 26305 1 317 . 1 . 1 72 72 ASN C C 13 171.853 0.000 . 1 . . . . . 72 N CO . 26305 1 318 . 1 . 1 72 72 ASN CA C 13 52.483 0.000 . 1 . . . . . 72 N CA . 26305 1 319 . 1 . 1 72 72 ASN CB C 13 38.457 0.000 . 1 . . . . . 72 N CB . 26305 1 320 . 1 . 1 72 72 ASN N N 15 117.723 0.060 . 1 . . . . . 72 N N . 26305 1 321 . 1 . 1 73 73 PRO C C 13 178.403 0.003 . 1 . . . . . 73 P CO . 26305 1 322 . 1 . 1 73 73 PRO CA C 13 63.317 0.057 . 1 . . . . . 73 P CA . 26305 1 323 . 1 . 1 73 73 PRO CB C 13 32.146 0.036 . 1 . . . . . 73 P CB . 26305 1 324 . 1 . 1 74 74 GLN H H 1 8.973 0.001 . 1 . . . . . 74 Q HN . 26305 1 325 . 1 . 1 74 74 GLN C C 13 174.649 0.011 . 1 . . . . . 74 Q CO . 26305 1 326 . 1 . 1 74 74 GLN CA C 13 55.055 0.003 . 1 . . . . . 74 Q CA . 26305 1 327 . 1 . 1 74 74 GLN CB C 13 29.800 0.019 . 1 . . . . . 74 Q CB . 26305 1 328 . 1 . 1 74 74 GLN N N 15 120.317 0.063 . 1 . . . . . 74 Q N . 26305 1 329 . 1 . 1 75 75 SER H H 1 7.309 0.002 . 1 . . . . . 75 S HN . 26305 1 330 . 1 . 1 75 75 SER C C 13 172.465 0.004 . 1 . . . . . 75 S CO . 26305 1 331 . 1 . 1 75 75 SER CA C 13 55.809 0.058 . 1 . . . . . 75 S CA . 26305 1 332 . 1 . 1 75 75 SER CB C 13 64.056 0.130 . 1 . . . . . 75 S CB . 26305 1 333 . 1 . 1 75 75 SER N N 15 111.474 0.042 . 1 . . . . . 75 S N . 26305 1 334 . 1 . 1 76 76 ASP H H 1 8.191 0.001 . 1 . . . . . 76 D HN . 26305 1 335 . 1 . 1 76 76 ASP CA C 13 54.437 0.000 . 1 . . . . . 76 D CA . 26305 1 336 . 1 . 1 76 76 ASP CB C 13 40.521 0.000 . 1 . . . . . 76 D CB . 26305 1 337 . 1 . 1 76 76 ASP N N 15 118.886 0.042 . 1 . . . . . 76 D N . 26305 1 338 . 1 . 1 77 77 TYR CA C 13 59.255 0.000 . 1 . . . . . 77 Y CA . 26305 1 339 . 1 . 1 77 77 TYR CB C 13 36.201 0.189 . 1 . . . . . 77 Y CB . 26305 1 340 . 1 . 1 78 78 CYS H H 1 8.174 0.002 . 1 . . . . . 78 C HN . 26305 1 341 . 1 . 1 78 78 CYS C C 13 173.964 0.030 . 1 . . . . . 78 C CO . 26305 1 342 . 1 . 1 78 78 CYS CA C 13 55.380 0.090 . 1 . . . . . 78 C CA . 26305 1 343 . 1 . 1 78 78 CYS CB C 13 41.979 0.057 . 1 . . . . . 78 C CB . 26305 1 344 . 1 . 1 78 78 CYS N N 15 116.303 0.040 . 1 . . . . . 78 C N . 26305 1 345 . 1 . 1 79 79 ASP H H 1 9.404 0.004 . 1 . . . . . 79 D HN . 26305 1 346 . 1 . 1 79 79 ASP C C 13 177.902 0.014 . 1 . . . . . 79 D CO . 26305 1 347 . 1 . 1 79 79 ASP CA C 13 52.608 0.037 . 1 . . . . . 79 D CA . 26305 1 348 . 1 . 1 79 79 ASP CB C 13 40.697 0.118 . 1 . . . . . 79 D CB . 26305 1 349 . 1 . 1 79 79 ASP N N 15 130.714 0.072 . 1 . . . . . 79 D N . 26305 1 350 . 1 . 1 80 80 THR H H 1 8.635 0.003 . 1 . . . . . 80 T HN . 26305 1 351 . 1 . 1 80 80 THR C C 13 175.368 0.000 . 1 . . . . . 80 T CO . 26305 1 352 . 1 . 1 80 80 THR CA C 13 63.293 0.000 . 1 . . . . . 80 T CA . 26305 1 353 . 1 . 1 80 80 THR CB C 13 68.728 0.141 . 1 . . . . . 80 T CB . 26305 1 354 . 1 . 1 80 80 THR N N 15 118.685 0.058 . 1 . . . . . 80 T N . 26305 1 355 . 1 . 1 81 81 SER H H 1 8.638 0.003 . 1 . . . . . 81 S HN . 26305 1 356 . 1 . 1 81 81 SER C C 13 174.889 0.009 . 1 . . . . . 81 S CO . 26305 1 357 . 1 . 1 81 81 SER CA C 13 61.736 2.030 . 1 . . . . . 81 S CA . 26305 1 358 . 1 . 1 81 81 SER CB C 13 63.545 0.000 . 1 . . . . . 81 S CB . 26305 1 359 . 1 . 1 81 81 SER N N 15 117.803 0.030 . 1 . . . . . 81 S N . 26305 1 360 . 1 . 1 82 82 SER H H 1 7.036 0.002 . 1 . . . . . 82 S HN . 26305 1 361 . 1 . 1 82 82 SER C C 13 175.658 0.037 . 1 . . . . . 82 S CO . 26305 1 362 . 1 . 1 82 82 SER CA C 13 57.453 0.005 . 1 . . . . . 82 S CA . 26305 1 363 . 1 . 1 82 82 SER CB C 13 63.083 0.124 . 1 . . . . . 82 S CB . 26305 1 364 . 1 . 1 82 82 SER N N 15 115.874 0.052 . 1 . . . . . 82 S N . 26305 1 365 . 1 . 1 83 83 THR H H 1 8.150 0.001 . 1 . . . . . 83 T HN . 26305 1 366 . 1 . 1 83 83 THR C C 13 175.634 0.010 . 1 . . . . . 83 T CO . 26305 1 367 . 1 . 1 83 83 THR CB C 13 68.610 0.069 . 1 . . . . . 83 T CB . 26305 1 368 . 1 . 1 83 83 THR N N 15 118.821 0.051 . 1 . . . . . 83 T N . 26305 1 369 . 1 . 1 84 84 GLN H H 1 8.245 0.001 . 1 . . . . . 84 Q HN . 26305 1 370 . 1 . 1 84 84 GLN C C 13 175.160 0.004 . 1 . . . . . 84 Q CO . 26305 1 371 . 1 . 1 84 84 GLN CA C 13 57.312 0.027 . 1 . . . . . 84 Q CA . 26305 1 372 . 1 . 1 84 84 GLN CB C 13 28.847 0.048 . 1 . . . . . 84 Q CB . 26305 1 373 . 1 . 1 84 84 GLN N N 15 121.092 0.050 . 1 . . . . . 84 Q N . 26305 1 374 . 1 . 1 85 85 TYR H H 1 7.310 0.002 . 1 . . . . . 85 Y HN . 26305 1 375 . 1 . 1 85 85 TYR C C 13 170.533 0.000 . 1 . . . . . 85 Y CO . 26305 1 376 . 1 . 1 85 85 TYR CA C 13 53.384 0.000 . 1 . . . . . 85 Y CA . 26305 1 377 . 1 . 1 85 85 TYR CB C 13 38.208 0.000 . 1 . . . . . 85 Y CB . 26305 1 378 . 1 . 1 85 85 TYR N N 15 116.147 0.064 . 1 . . . . . 85 Y N . 26305 1 379 . 1 . 1 86 86 PRO C C 13 176.346 0.016 . 1 . . . . . 86 P CO . 26305 1 380 . 1 . 1 86 86 PRO CB C 13 31.420 0.025 . 1 . . . . . 86 P CB . 26305 1 381 . 1 . 1 87 87 CYS H H 1 8.250 0.002 . 1 . . . . . 87 C HN . 26305 1 382 . 1 . 1 87 87 CYS C C 13 174.007 0.017 . 1 . . . . . 87 C CO . 26305 1 383 . 1 . 1 87 87 CYS CA C 13 55.309 0.164 . 1 . . . . . 87 C CA . 26305 1 384 . 1 . 1 87 87 CYS CB C 13 41.627 0.024 . 1 . . . . . 87 C CB . 26305 1 385 . 1 . 1 87 87 CYS N N 15 119.157 0.085 . 1 . . . . . 87 C N . 26305 1 386 . 1 . 1 88 88 ALA H H 1 8.268 0.003 . 1 . . . . . 88 A HN . 26305 1 387 . 1 . 1 88 88 ALA C C 13 177.779 0.001 . 1 . . . . . 88 A CO . 26305 1 388 . 1 . 1 88 88 ALA CA C 13 51.444 0.005 . 1 . . . . . 88 A CA . 26305 1 389 . 1 . 1 88 88 ALA CB C 13 19.473 0.050 . 1 . . . . . 88 A CB . 26305 1 390 . 1 . 1 88 88 ALA N N 15 128.139 0.056 . 1 . . . . . 88 A N . 26305 1 391 . 1 . 1 89 89 ALA H H 1 8.685 0.001 . 1 . . . . . 89 A HN . 26305 1 392 . 1 . 1 89 89 ALA C C 13 179.209 0.008 . 1 . . . . . 89 A CO . 26305 1 393 . 1 . 1 89 89 ALA CA C 13 53.634 0.031 . 1 . . . . . 89 A CA . 26305 1 394 . 1 . 1 89 89 ALA CB C 13 17.849 0.091 . 1 . . . . . 89 A CB . 26305 1 395 . 1 . 1 89 89 ALA N N 15 127.932 0.060 . 1 . . . . . 89 A N . 26305 1 396 . 1 . 1 90 90 GLY H H 1 8.977 0.002 . 1 . . . . . 90 G HN . 26305 1 397 . 1 . 1 90 90 GLY C C 13 173.894 0.027 . 1 . . . . . 90 G CO . 26305 1 398 . 1 . 1 90 90 GLY CA C 13 45.665 0.065 . 1 . . . . . 90 G CA . 26305 1 399 . 1 . 1 90 90 GLY N N 15 111.131 0.055 . 1 . . . . . 90 G N . 26305 1 400 . 1 . 1 91 91 LYS H H 1 7.423 0.003 . 1 . . . . . 91 K HN . 26305 1 401 . 1 . 1 91 91 LYS C C 13 175.880 0.002 . 1 . . . . . 91 K CO . 26305 1 402 . 1 . 1 91 91 LYS CA C 13 52.493 0.074 . 1 . . . . . 91 K CA . 26305 1 403 . 1 . 1 91 91 LYS CB C 13 32.213 0.085 . 1 . . . . . 91 K CB . 26305 1 404 . 1 . 1 91 91 LYS N N 15 117.174 0.062 . 1 . . . . . 91 K N . 26305 1 405 . 1 . 1 92 92 GLN H H 1 8.245 0.002 . 1 . . . . . 92 Q HN . 26305 1 406 . 1 . 1 92 92 GLN C C 13 175.680 0.000 . 1 . . . . . 92 Q CO . 26305 1 407 . 1 . 1 92 92 GLN CA C 13 54.095 0.000 . 1 . . . . . 92 Q CA . 26305 1 408 . 1 . 1 92 92 GLN N N 15 116.038 0.058 . 1 . . . . . 92 Q N . 26305 1 409 . 1 . 1 94 94 TYR C C 13 173.201 0.000 . 1 . . . . . 94 Y CO . 26305 1 410 . 1 . 1 94 94 TYR CA C 13 55.098 0.000 . 1 . . . . . 94 Y CA . 26305 1 411 . 1 . 1 94 94 TYR CB C 13 38.261 0.000 . 1 . . . . . 94 Y CB . 26305 1 412 . 1 . 1 95 95 GLY H H 1 8.863 0.004 . 1 . . . . . 95 G HN . 26305 1 413 . 1 . 1 95 95 GLY C C 13 174.831 0.000 . 1 . . . . . 95 G CO . 26305 1 414 . 1 . 1 95 95 GLY CA C 13 46.345 0.000 . 1 . . . . . 95 G CA . 26305 1 415 . 1 . 1 95 95 GLY N N 15 104.718 0.038 . 1 . . . . . 95 G N . 26305 1 416 . 1 . 1 96 96 ARG C C 13 177.620 0.000 . 1 . . . . . 96 R CO . 26305 1 417 . 1 . 1 96 96 ARG CA C 13 55.349 0.125 . 1 . . . . . 96 R CA . 26305 1 418 . 1 . 1 96 96 ARG CB C 13 37.192 0.073 . 1 . . . . . 96 R CB . 26305 1 419 . 1 . 1 97 97 GLY H H 1 9.073 0.003 . 1 . . . . . 97 G HN . 26305 1 420 . 1 . 1 97 97 GLY C C 13 172.444 0.000 . 1 . . . . . 97 G CO . 26305 1 421 . 1 . 1 97 97 GLY CA C 13 45.604 0.000 . 1 . . . . . 97 G CA . 26305 1 422 . 1 . 1 97 97 GLY N N 15 108.173 0.063 . 1 . . . . . 97 G N . 26305 1 423 . 1 . 1 100 100 GLN C C 13 173.971 0.008 . 1 . . . . . 100 Q CO . 26305 1 424 . 1 . 1 100 100 GLN CA C 13 56.292 0.000 . 1 . . . . . 100 Q CA . 26305 1 425 . 1 . 1 100 100 GLN CB C 13 25.673 0.000 . 1 . . . . . 100 Q CB . 26305 1 426 . 1 . 1 101 101 LEU H H 1 6.891 0.003 . 1 . . . . . 101 L HN . 26305 1 427 . 1 . 1 101 101 LEU C C 13 175.261 0.028 . 1 . . . . . 101 L CO . 26305 1 428 . 1 . 1 101 101 LEU CA C 13 56.319 0.026 . 1 . . . . . 101 L CA . 26305 1 429 . 1 . 1 101 101 LEU CB C 13 42.815 0.059 . 1 . . . . . 101 L CB . 26305 1 430 . 1 . 1 101 101 LEU N N 15 122.076 0.045 . 1 . . . . . 101 L N . 26305 1 431 . 1 . 1 102 102 SER H H 1 8.617 0.002 . 1 . . . . . 102 S HN . 26305 1 432 . 1 . 1 102 102 SER C C 13 173.202 0.000 . 1 . . . . . 102 S CO . 26305 1 433 . 1 . 1 102 102 SER CA C 13 57.897 0.000 . 1 . . . . . 102 S CA . 26305 1 434 . 1 . 1 102 102 SER CB C 13 66.688 0.000 . 1 . . . . . 102 S CB . 26305 1 435 . 1 . 1 102 102 SER N N 15 120.818 0.072 . 1 . . . . . 102 S N . 26305 1 436 . 1 . 1 104 104 ASN C C 13 175.659 0.005 . 1 . . . . . 104 N CO . 26305 1 437 . 1 . 1 104 104 ASN CA C 13 57.686 0.137 . 1 . . . . . 104 N CA . 26305 1 438 . 1 . 1 104 104 ASN CB C 13 36.302 0.211 . 1 . . . . . 104 N CB . 26305 1 439 . 1 . 1 105 105 TYR H H 1 6.671 0.005 . 1 . . . . . 105 Y HN . 26305 1 440 . 1 . 1 105 105 TYR C C 13 176.740 0.000 . 1 . . . . . 105 Y CO . 26305 1 441 . 1 . 1 105 105 TYR CA C 13 57.729 0.000 . 1 . . . . . 105 Y CA . 26305 1 442 . 1 . 1 105 105 TYR CB C 13 36.493 0.000 . 1 . . . . . 105 Y CB . 26305 1 443 . 1 . 1 105 105 TYR N N 15 111.825 0.048 . 1 . . . . . 105 Y N . 26305 1 444 . 1 . 1 106 106 ASN H H 1 6.434 0.002 . 1 . . . . . 106 N HN . 26305 1 445 . 1 . 1 106 106 ASN C C 13 176.402 0.000 . 1 . . . . . 106 N CO . 26305 1 446 . 1 . 1 106 106 ASN CA C 13 55.488 0.000 . 1 . . . . . 106 N CA . 26305 1 447 . 1 . 1 106 106 ASN N N 15 121.111 0.023 . 1 . . . . . 106 N N . 26305 1 448 . 1 . 1 107 107 TYR C C 13 178.312 0.000 . 1 . . . . . 107 Y CO . 26305 1 449 . 1 . 1 108 108 GLY H H 1 8.355 0.001 . 1 . . . . . 108 G HN . 26305 1 450 . 1 . 1 108 108 GLY C C 13 174.601 0.009 . 1 . . . . . 108 G CO . 26305 1 451 . 1 . 1 108 108 GLY CA C 13 47.411 0.008 . 1 . . . . . 108 G CA . 26305 1 452 . 1 . 1 108 108 GLY N N 15 104.360 0.103 . 1 . . . . . 108 G N . 26305 1 453 . 1 . 1 109 109 GLU H H 1 6.840 0.004 . 1 . . . . . 109 E HN . 26305 1 454 . 1 . 1 109 109 GLU C C 13 177.218 0.000 . 1 . . . . . 109 E CO . 26305 1 455 . 1 . 1 109 109 GLU CA C 13 59.365 0.093 . 1 . . . . . 109 E CA . 26305 1 456 . 1 . 1 109 109 GLU CB C 13 29.719 0.074 . 1 . . . . . 109 E CB . 26305 1 457 . 1 . 1 109 109 GLU N N 15 125.341 0.084 . 1 . . . . . 109 E N . 26305 1 458 . 1 . 1 110 110 ALA H H 1 7.447 0.002 . 1 . . . . . 110 A HN . 26305 1 459 . 1 . 1 110 110 ALA C C 13 178.717 1.457 . 1 . . . . . 110 A CO . 26305 1 460 . 1 . 1 110 110 ALA CA C 13 54.344 0.084 . 1 . . . . . 110 A CA . 26305 1 461 . 1 . 1 110 110 ALA CB C 13 16.108 0.051 . 1 . . . . . 110 A CB . 26305 1 462 . 1 . 1 110 110 ALA N N 15 119.893 0.061 . 1 . . . . . 110 A N . 26305 1 463 . 1 . 1 111 111 GLY H H 1 8.063 0.003 . 1 . . . . . 111 G HN . 26305 1 464 . 1 . 1 111 111 GLY C C 13 176.202 0.001 . 1 . . . . . 111 G CO . 26305 1 465 . 1 . 1 111 111 GLY CA C 13 48.118 0.001 . 1 . . . . . 111 G CA . 26305 1 466 . 1 . 1 111 111 GLY N N 15 104.403 0.076 . 1 . . . . . 111 G N . 26305 1 467 . 1 . 1 112 112 ALA H H 1 7.732 0.002 . 1 . . . . . 112 A HN . 26305 1 468 . 1 . 1 112 112 ALA C C 13 180.448 0.004 . 1 . . . . . 112 A CO . 26305 1 469 . 1 . 1 112 112 ALA CA C 13 55.081 0.021 . 1 . . . . . 112 A CA . 26305 1 470 . 1 . 1 112 112 ALA CB C 13 17.965 0.037 . 1 . . . . . 112 A CB . 26305 1 471 . 1 . 1 112 112 ALA N N 15 124.252 0.071 . 1 . . . . . 112 A N . 26305 1 472 . 1 . 1 113 113 ASP H H 1 7.815 0.004 . 1 . . . . . 113 D HN . 26305 1 473 . 1 . 1 113 113 ASP C C 13 178.548 0.030 . 1 . . . . . 113 D CO . 26305 1 474 . 1 . 1 113 113 ASP CA C 13 56.948 0.089 . 1 . . . . . 113 D CA . 26305 1 475 . 1 . 1 113 113 ASP CB C 13 40.373 0.051 . 1 . . . . . 113 D CB . 26305 1 476 . 1 . 1 113 113 ASP N N 15 118.570 0.063 . 1 . . . . . 113 D N . 26305 1 477 . 1 . 1 114 114 LEU H H 1 8.548 0.002 . 1 . . . . . 114 L HN . 26305 1 478 . 1 . 1 114 114 LEU C C 13 177.119 0.007 . 1 . . . . . 114 L CO . 26305 1 479 . 1 . 1 114 114 LEU CA C 13 55.049 0.011 . 1 . . . . . 114 L CA . 26305 1 480 . 1 . 1 114 114 LEU CB C 13 43.208 0.000 . 1 . . . . . 114 L CB . 26305 1 481 . 1 . 1 114 114 LEU N N 15 118.047 0.067 . 1 . . . . . 114 L N . 26305 1 482 . 1 . 1 115 115 GLY H H 1 7.869 0.009 . 1 . . . . . 115 G HN . 26305 1 483 . 1 . 1 115 115 GLY C C 13 174.351 0.016 . 1 . . . . . 115 G CO . 26305 1 484 . 1 . 1 115 115 GLY CA C 13 46.612 0.065 . 1 . . . . . 115 G CA . 26305 1 485 . 1 . 1 115 115 GLY N N 15 109.749 0.075 . 1 . . . . . 115 G N . 26305 1 486 . 1 . 1 116 116 LEU H H 1 8.365 0.002 . 1 . . . . . 116 L HN . 26305 1 487 . 1 . 1 116 116 LEU C C 13 176.680 0.038 . 1 . . . . . 116 L CO . 26305 1 488 . 1 . 1 116 116 LEU CA C 13 52.576 0.052 . 1 . . . . . 116 L CA . 26305 1 489 . 1 . 1 116 116 LEU CB C 13 48.490 0.029 . 1 . . . . . 116 L CB . 26305 1 490 . 1 . 1 116 116 LEU N N 15 118.591 0.043 . 1 . . . . . 116 L N . 26305 1 491 . 1 . 1 117 117 ASP H H 1 8.840 0.001 . 1 . . . . . 117 D HN . 26305 1 492 . 1 . 1 117 117 ASP C C 13 176.735 0.000 . 1 . . . . . 117 D CO . 26305 1 493 . 1 . 1 117 117 ASP CA C 13 52.286 0.000 . 1 . . . . . 117 D CA . 26305 1 494 . 1 . 1 117 117 ASP CB C 13 38.578 0.000 . 1 . . . . . 117 D CB . 26305 1 495 . 1 . 1 117 117 ASP N N 15 123.489 0.048 . 1 . . . . . 117 D N . 26305 1 496 . 1 . 1 118 118 LEU H H 1 7.534 0.001 . 1 . . . . . 118 L HN . 26305 1 497 . 1 . 1 118 118 LEU C C 13 176.864 0.000 . 1 . . . . . 118 L CO . 26305 1 498 . 1 . 1 118 118 LEU CA C 13 55.171 0.121 . 1 . . . . . 118 L CA . 26305 1 499 . 1 . 1 118 118 LEU CB C 13 41.649 0.072 . 1 . . . . . 118 L CB . 26305 1 500 . 1 . 1 118 118 LEU N N 15 119.602 0.050 . 1 . . . . . 118 L N . 26305 1 501 . 1 . 1 119 119 LEU H H 1 8.334 0.002 . 1 . . . . . 119 L HN . 26305 1 502 . 1 . 1 119 119 LEU C C 13 178.684 0.001 . 1 . . . . . 119 L CO . 26305 1 503 . 1 . 1 119 119 LEU CA C 13 57.133 0.068 . 1 . . . . . 119 L CA . 26305 1 504 . 1 . 1 119 119 LEU CB C 13 42.243 0.000 . 1 . . . . . 119 L CB . 26305 1 505 . 1 . 1 119 119 LEU N N 15 117.188 0.069 . 1 . . . . . 119 L N . 26305 1 506 . 1 . 1 120 120 ASN H H 1 7.540 0.004 . 1 . . . . . 120 N HN . 26305 1 507 . 1 . 1 120 120 ASN C C 13 174.724 0.000 . 1 . . . . . 120 N CO . 26305 1 508 . 1 . 1 120 120 ASN CA C 13 54.030 0.165 . 1 . . . . . 120 N CA . 26305 1 509 . 1 . 1 120 120 ASN CB C 13 38.583 0.021 . 1 . . . . . 120 N CB . 26305 1 510 . 1 . 1 120 120 ASN N N 15 113.561 0.039 . 1 . . . . . 120 N N . 26305 1 511 . 1 . 1 121 121 ASN H H 1 7.385 0.004 . 1 . . . . . 121 N HN . 26305 1 512 . 1 . 1 121 121 ASN C C 13 171.480 0.000 . 1 . . . . . 121 N CO . 26305 1 513 . 1 . 1 121 121 ASN CB C 13 37.839 0.000 . 1 . . . . . 121 N CB . 26305 1 514 . 1 . 1 121 121 ASN N N 15 114.633 0.062 . 1 . . . . . 121 N N . 26305 1 515 . 1 . 1 122 122 PRO C C 13 177.266 0.010 . 1 . . . . . 122 P CO . 26305 1 516 . 1 . 1 122 122 PRO CA C 13 65.168 0.000 . 1 . . . . . 122 P CA . 26305 1 517 . 1 . 1 122 122 PRO CB C 13 31.896 0.000 . 1 . . . . . 122 P CB . 26305 1 518 . 1 . 1 123 123 ASP H H 1 7.235 0.003 . 1 . . . . . 123 D HN . 26305 1 519 . 1 . 1 123 123 ASP CA C 13 56.606 0.039 . 1 . . . . . 123 D CA . 26305 1 520 . 1 . 1 123 123 ASP CB C 13 41.226 0.088 . 1 . . . . . 123 D CB . 26305 1 521 . 1 . 1 123 123 ASP N N 15 114.234 0.071 . 1 . . . . . 123 D N . 26305 1 522 . 1 . 1 124 124 LEU H H 1 7.460 0.003 . 1 . . . . . 124 L HN . 26305 1 523 . 1 . 1 124 124 LEU C C 13 178.159 0.000 . 1 . . . . . 124 L CO . 26305 1 524 . 1 . 1 124 124 LEU CA C 13 57.958 0.000 . 1 . . . . . 124 L CA . 26305 1 525 . 1 . 1 124 124 LEU CB C 13 42.769 0.011 . 1 . . . . . 124 L CB . 26305 1 526 . 1 . 1 124 124 LEU N N 15 120.512 0.039 . 1 . . . . . 124 L N . 26305 1 527 . 1 . 1 125 125 VAL H H 1 7.275 0.005 . 1 . . . . . 125 V HN . 26305 1 528 . 1 . 1 125 125 VAL C C 13 172.869 0.028 . 1 . . . . . 125 V CO . 26305 1 529 . 1 . 1 125 125 VAL CA C 13 65.779 0.130 . 1 . . . . . 125 V CA . 26305 1 530 . 1 . 1 125 125 VAL CB C 13 31.688 0.000 . 1 . . . . . 125 V CB . 26305 1 531 . 1 . 1 125 125 VAL N N 15 113.357 0.045 . 1 . . . . . 125 V N . 26305 1 532 . 1 . 1 126 126 ALA H H 1 6.939 0.003 . 1 . . . . . 126 A HN . 26305 1 533 . 1 . 1 126 126 ALA C C 13 175.604 0.002 . 1 . . . . . 126 A CO . 26305 1 534 . 1 . 1 126 126 ALA CA C 13 50.982 0.009 . 1 . . . . . 126 A CA . 26305 1 535 . 1 . 1 126 126 ALA CB C 13 20.452 0.000 . 1 . . . . . 126 A CB . 26305 1 536 . 1 . 1 126 126 ALA N N 15 113.062 0.041 . 1 . . . . . 126 A N . 26305 1 537 . 1 . 1 127 127 GLN H H 1 7.269 0.005 . 1 . . . . . 127 Q HN . 26305 1 538 . 1 . 1 127 127 GLN C C 13 176.038 0.007 . 1 . . . . . 127 Q CO . 26305 1 539 . 1 . 1 127 127 GLN CA C 13 56.010 0.129 . 1 . . . . . 127 Q CA . 26305 1 540 . 1 . 1 127 127 GLN CB C 13 30.431 0.033 . 1 . . . . . 127 Q CB . 26305 1 541 . 1 . 1 127 127 GLN N N 15 114.212 0.075 . 1 . . . . . 127 Q N . 26305 1 542 . 1 . 1 128 128 ASP H H 1 7.687 0.001 . 1 . . . . . 128 D HN . 26305 1 543 . 1 . 1 128 128 ASP C C 13 175.549 0.017 . 1 . . . . . 128 D CO . 26305 1 544 . 1 . 1 128 128 ASP CA C 13 52.638 0.000 . 1 . . . . . 128 D CA . 26305 1 545 . 1 . 1 128 128 ASP CB C 13 43.247 0.040 . 1 . . . . . 128 D CB . 26305 1 546 . 1 . 1 128 128 ASP N N 15 120.607 0.061 . 1 . . . . . 128 D N . 26305 1 547 . 1 . 1 129 129 SER H H 1 8.915 0.004 . 1 . . . . . 129 S HN . 26305 1 548 . 1 . 1 129 129 SER CA C 13 60.706 0.010 . 1 . . . . . 129 S CA . 26305 1 549 . 1 . 1 129 129 SER CB C 13 62.319 0.000 . 1 . . . . . 129 S CB . 26305 1 550 . 1 . 1 129 129 SER N N 15 122.105 0.038 . 1 . . . . . 129 S N . 26305 1 551 . 1 . 1 130 130 THR H H 1 8.249 0.002 . 1 . . . . . 130 T HN . 26305 1 552 . 1 . 1 130 130 THR C C 13 177.203 0.000 . 1 . . . . . 130 T CO . 26305 1 553 . 1 . 1 130 130 THR CA C 13 67.333 0.064 . 1 . . . . . 130 T CA . 26305 1 554 . 1 . 1 130 130 THR N N 15 119.900 0.061 . 1 . . . . . 130 T N . 26305 1 555 . 1 . 1 131 131 VAL H H 1 8.009 0.002 . 1 . . . . . 131 V HN . 26305 1 556 . 1 . 1 131 131 VAL C C 13 177.988 0.007 . 1 . . . . . 131 V CO . 26305 1 557 . 1 . 1 131 131 VAL CA C 13 67.714 0.145 . 1 . . . . . 131 V CA . 26305 1 558 . 1 . 1 131 131 VAL CB C 13 30.809 0.119 . 1 . . . . . 131 V CB . 26305 1 559 . 1 . 1 131 131 VAL N N 15 124.573 0.057 . 1 . . . . . 131 V N . 26305 1 560 . 1 . 1 132 132 ALA H H 1 8.723 0.002 . 1 . . . . . 132 A HN . 26305 1 561 . 1 . 1 132 132 ALA C C 13 181.929 0.005 . 1 . . . . . 132 A CO . 26305 1 562 . 1 . 1 132 132 ALA CA C 13 56.881 0.038 . 1 . . . . . 132 A CA . 26305 1 563 . 1 . 1 132 132 ALA CB C 13 17.929 0.000 . 1 . . . . . 132 A CB . 26305 1 564 . 1 . 1 132 132 ALA N N 15 121.990 0.048 . 1 . . . . . 132 A N . 26305 1 565 . 1 . 1 133 133 TRP H H 1 8.635 0.002 . 1 . . . . . 133 W HN . 26305 1 566 . 1 . 1 133 133 TRP C C 13 179.104 0.023 . 1 . . . . . 133 W CO . 26305 1 567 . 1 . 1 133 133 TRP CA C 13 61.032 0.000 . 1 . . . . . 133 W CA . 26305 1 568 . 1 . 1 133 133 TRP CB C 13 31.152 0.000 . 1 . . . . . 133 W CB . 26305 1 569 . 1 . 1 133 133 TRP N N 15 119.080 0.023 . 1 . . . . . 133 W N . 26305 1 570 . 1 . 1 134 134 ARG H H 1 8.950 0.001 . 1 . . . . . 134 R HN . 26305 1 571 . 1 . 1 134 134 ARG C C 13 179.080 0.002 . 1 . . . . . 134 R CO . 26305 1 572 . 1 . 1 134 134 ARG CA C 13 61.641 0.038 . 1 . . . . . 134 R CA . 26305 1 573 . 1 . 1 134 134 ARG CB C 13 30.952 0.052 . 1 . . . . . 134 R CB . 26305 1 574 . 1 . 1 134 134 ARG N N 15 119.316 0.050 . 1 . . . . . 134 R N . 26305 1 575 . 1 . 1 135 135 THR H H 1 8.637 0.003 . 1 . . . . . 135 T HN . 26305 1 576 . 1 . 1 135 135 THR C C 13 175.204 0.000 . 1 . . . . . 135 T CO . 26305 1 577 . 1 . 1 135 135 THR CA C 13 66.375 0.115 . 1 . . . . . 135 T CA . 26305 1 578 . 1 . 1 135 135 THR CB C 13 69.995 0.088 . 1 . . . . . 135 T CB . 26305 1 579 . 1 . 1 135 135 THR N N 15 108.078 0.060 . 1 . . . . . 135 T N . 26305 1 580 . 1 . 1 136 136 ALA H H 1 7.351 0.002 . 1 . . . . . 136 A HN . 26305 1 581 . 1 . 1 136 136 ALA C C 13 179.129 0.000 . 1 . . . . . 136 A CO . 26305 1 582 . 1 . 1 136 136 ALA CA C 13 54.667 0.067 . 1 . . . . . 136 A CA . 26305 1 583 . 1 . 1 136 136 ALA CB C 13 19.661 0.058 . 1 . . . . . 136 A CB . 26305 1 584 . 1 . 1 136 136 ALA N N 15 124.161 0.042 . 1 . . . . . 136 A N . 26305 1 585 . 1 . 1 137 137 LEU H H 1 8.146 0.002 . 1 . . . . . 137 L HN . 26305 1 586 . 1 . 1 137 137 LEU C C 13 177.253 0.003 . 1 . . . . . 137 L CO . 26305 1 587 . 1 . 1 137 137 LEU CA C 13 57.334 0.010 . 1 . . . . . 137 L CA . 26305 1 588 . 1 . 1 137 137 LEU CB C 13 42.404 0.056 . 1 . . . . . 137 L CB . 26305 1 589 . 1 . 1 137 137 LEU N N 15 120.265 0.025 . 1 . . . . . 137 L N . 26305 1 590 . 1 . 1 138 138 TRP H H 1 9.070 0.002 . 1 . . . . . 138 W HN . 26305 1 591 . 1 . 1 138 138 TRP C C 13 176.716 0.000 . 1 . . . . . 138 W CO . 26305 1 592 . 1 . 1 138 138 TRP CA C 13 61.885 0.080 . 1 . . . . . 138 W CA . 26305 1 593 . 1 . 1 138 138 TRP CB C 13 27.931 0.018 . 1 . . . . . 138 W CB . 26305 1 594 . 1 . 1 138 138 TRP N N 15 120.490 0.078 . 1 . . . . . 138 W N . 26305 1 595 . 1 . 1 139 139 PHE H H 1 7.889 0.002 . 1 . . . . . 139 F HN . 26305 1 596 . 1 . 1 139 139 PHE CA C 13 61.720 0.140 . 1 . . . . . 139 F CA . 26305 1 597 . 1 . 1 139 139 PHE CB C 13 40.241 0.068 . 1 . . . . . 139 F CB . 26305 1 598 . 1 . 1 139 139 PHE N N 15 119.930 0.034 . 1 . . . . . 139 F N . 26305 1 599 . 1 . 1 140 140 TRP H H 1 7.991 0.002 . 1 . . . . . 140 W HN . 26305 1 600 . 1 . 1 140 140 TRP C C 13 177.953 0.000 . 1 . . . . . 140 W CO . 26305 1 601 . 1 . 1 140 140 TRP CA C 13 60.621 0.000 . 1 . . . . . 140 W CA . 26305 1 602 . 1 . 1 140 140 TRP CB C 13 30.354 0.000 . 1 . . . . . 140 W CB . 26305 1 603 . 1 . 1 140 140 TRP N N 15 117.365 0.061 . 1 . . . . . 140 W N . 26305 1 604 . 1 . 1 141 141 MET H H 1 8.232 0.011 . 1 . . . . . 141 M HN . 26305 1 605 . 1 . 1 141 141 MET C C 13 179.395 0.003 . 1 . . . . . 141 M CO . 26305 1 606 . 1 . 1 141 141 MET CA C 13 55.080 0.000 . 1 . . . . . 141 M CA . 26305 1 607 . 1 . 1 141 141 MET CB C 13 29.325 0.077 . 1 . . . . . 141 M CB . 26305 1 608 . 1 . 1 141 141 MET N N 15 114.311 0.118 . 1 . . . . . 141 M N . 26305 1 609 . 1 . 1 142 142 LYS H H 1 9.278 0.002 . 1 . . . . . 142 K HN . 26305 1 610 . 1 . 1 142 142 LYS C C 13 179.106 0.007 . 1 . . . . . 142 K CO . 26305 1 611 . 1 . 1 142 142 LYS CA C 13 57.901 0.050 . 1 . . . . . 142 K CA . 26305 1 612 . 1 . 1 142 142 LYS CB C 13 31.443 0.000 . 1 . . . . . 142 K CB . 26305 1 613 . 1 . 1 142 142 LYS N N 15 124.218 0.073 . 1 . . . . . 142 K N . 26305 1 614 . 1 . 1 143 143 ARG H H 1 7.559 0.002 . 1 . . . . . 143 R HN . 26305 1 615 . 1 . 1 143 143 ARG C C 13 175.599 0.009 . 1 . . . . . 143 R CO . 26305 1 616 . 1 . 1 143 143 ARG CA C 13 54.477 0.016 . 1 . . . . . 143 R CA . 26305 1 617 . 1 . 1 143 143 ARG CB C 13 26.933 0.010 . 1 . . . . . 143 R CB . 26305 1 618 . 1 . 1 143 143 ARG N N 15 113.449 0.065 . 1 . . . . . 143 R N . 26305 1 619 . 1 . 1 144 144 ASP H H 1 7.019 0.003 . 1 . . . . . 144 D HN . 26305 1 620 . 1 . 1 144 144 ASP C C 13 177.935 0.004 . 1 . . . . . 144 D CO . 26305 1 621 . 1 . 1 144 144 ASP CA C 13 55.974 0.130 . 1 . . . . . 144 D CA . 26305 1 622 . 1 . 1 144 144 ASP CB C 13 38.743 0.057 . 1 . . . . . 144 D CB . 26305 1 623 . 1 . 1 144 144 ASP N N 15 111.901 0.037 . 1 . . . . . 144 D N . 26305 1 624 . 1 . 1 145 145 CYS H H 1 7.392 0.003 . 1 . . . . . 145 C HN . 26305 1 625 . 1 . 1 145 145 CYS C C 13 176.402 0.003 . 1 . . . . . 145 C CO . 26305 1 626 . 1 . 1 145 145 CYS CA C 13 62.582 0.001 . 1 . . . . . 145 C CA . 26305 1 627 . 1 . 1 145 145 CYS CB C 13 24.396 0.026 . 1 . . . . . 145 C CB . 26305 1 628 . 1 . 1 145 145 CYS N N 15 118.449 0.056 . 1 . . . . . 145 C N . 26305 1 629 . 1 . 1 146 146 HIS H H 1 6.668 0.004 . 1 . . . . . 146 H HN . 26305 1 630 . 1 . 1 146 146 HIS C C 13 176.414 0.007 . 1 . . . . . 146 H CO . 26305 1 631 . 1 . 1 146 146 HIS CA C 13 58.270 0.006 . 1 . . . . . 146 H CA . 26305 1 632 . 1 . 1 146 146 HIS CB C 13 30.409 0.017 . 1 . . . . . 146 H CB . 26305 1 633 . 1 . 1 146 146 HIS N N 15 114.009 0.096 . 1 . . . . . 146 H N . 26305 1 634 . 1 . 1 147 147 GLY H H 1 7.613 0.004 . 1 . . . . . 147 G HN . 26305 1 635 . 1 . 1 147 147 GLY C C 13 174.193 0.009 . 1 . . . . . 147 G CO . 26305 1 636 . 1 . 1 147 147 GLY CA C 13 46.472 0.099 . 1 . . . . . 147 G CA . 26305 1 637 . 1 . 1 147 147 GLY N N 15 109.551 0.054 . 1 . . . . . 147 G N . 26305 1 638 . 1 . 1 148 148 ALA H H 1 6.650 0.003 . 1 . . . . . 148 A HN . 26305 1 639 . 1 . 1 148 148 ALA C C 13 179.584 0.029 . 1 . . . . . 148 A CO . 26305 1 640 . 1 . 1 148 148 ALA CA C 13 54.759 0.000 . 1 . . . . . 148 A CA . 26305 1 641 . 1 . 1 148 148 ALA CB C 13 16.756 0.066 . 1 . . . . . 148 A CB . 26305 1 642 . 1 . 1 148 148 ALA N N 15 121.959 0.039 . 1 . . . . . 148 A N . 26305 1 643 . 1 . 1 149 149 ILE H H 1 7.427 0.005 . 1 . . . . . 149 I HN . 26305 1 644 . 1 . 1 149 149 ILE C C 13 174.145 0.006 . 1 . . . . . 149 I CO . 26305 1 645 . 1 . 1 149 149 ILE CA C 13 58.464 0.000 . 1 . . . . . 149 I CA . 26305 1 646 . 1 . 1 149 149 ILE CB C 13 39.556 0.126 . 1 . . . . . 149 I CB . 26305 1 647 . 1 . 1 149 149 ILE N N 15 112.974 0.080 . 1 . . . . . 149 I N . 26305 1 648 . 1 . 1 150 150 THR H H 1 6.909 0.004 . 1 . . . . . 150 T HN . 26305 1 649 . 1 . 1 150 150 THR C C 13 172.468 0.003 . 1 . . . . . 150 T CO . 26305 1 650 . 1 . 1 150 150 THR CA C 13 61.908 0.139 . 1 . . . . . 150 T CA . 26305 1 651 . 1 . 1 150 150 THR CB C 13 68.946 0.186 . 1 . . . . . 150 T CB . 26305 1 652 . 1 . 1 150 150 THR N N 15 107.642 0.059 . 1 . . . . . 150 T N . 26305 1 653 . 1 . 1 151 151 ALA H H 1 6.407 0.002 . 1 . . . . . 151 A HN . 26305 1 654 . 1 . 1 151 151 ALA C C 13 174.483 0.001 . 1 . . . . . 151 A CO . 26305 1 655 . 1 . 1 151 151 ALA CA C 13 52.131 0.034 . 1 . . . . . 151 A CA . 26305 1 656 . 1 . 1 151 151 ALA CB C 13 19.295 0.021 . 1 . . . . . 151 A CB . 26305 1 657 . 1 . 1 151 151 ALA N N 15 123.656 0.044 . 1 . . . . . 151 A N . 26305 1 658 . 1 . 1 152 152 SER H H 1 7.907 0.002 . 1 . . . . . 152 S HN . 26305 1 659 . 1 . 1 152 152 SER C C 13 173.302 0.000 . 1 . . . . . 152 S CO . 26305 1 660 . 1 . 1 152 152 SER CA C 13 53.071 0.000 . 1 . . . . . 152 S CA . 26305 1 661 . 1 . 1 152 152 SER CB C 13 64.248 0.000 . 1 . . . . . 152 S CB . 26305 1 662 . 1 . 1 152 152 SER N N 15 111.189 0.023 . 1 . . . . . 152 S N . 26305 1 663 . 1 . 1 154 154 PRO C C 13 178.089 0.001 . 1 . . . . . 154 P CO . 26305 1 664 . 1 . 1 154 154 PRO CA C 13 63.443 0.000 . 1 . . . . . 154 P CA . 26305 1 665 . 1 . 1 154 154 PRO CB C 13 32.233 0.049 . 1 . . . . . 154 P CB . 26305 1 666 . 1 . 1 155 155 SER H H 1 7.820 0.002 . 1 . . . . . 155 S HN . 26305 1 667 . 1 . 1 155 155 SER C C 13 173.606 0.000 . 1 . . . . . 155 S CO . 26305 1 668 . 1 . 1 155 155 SER CA C 13 55.321 0.148 . 1 . . . . . 155 S CA . 26305 1 669 . 1 . 1 155 155 SER CB C 13 63.785 0.031 . 1 . . . . . 155 S CB . 26305 1 670 . 1 . 1 155 155 SER N N 15 116.386 0.068 . 1 . . . . . 155 S N . 26305 1 671 . 1 . 1 156 156 PHE H H 1 8.012 0.001 . 1 . . . . . 156 F HN . 26305 1 672 . 1 . 1 156 156 PHE C C 13 180.589 0.000 . 1 . . . . . 156 F CO . 26305 1 673 . 1 . 1 156 156 PHE CA C 13 62.503 0.041 . 1 . . . . . 156 F CA . 26305 1 674 . 1 . 1 156 156 PHE CB C 13 39.087 0.000 . 1 . . . . . 156 F CB . 26305 1 675 . 1 . 1 156 156 PHE N N 15 127.574 0.050 . 1 . . . . . 156 F N . 26305 1 676 . 1 . 1 157 157 SER H H 1 8.652 0.007 . 1 . . . . . 157 S HN . 26305 1 677 . 1 . 1 157 157 SER C C 13 176.330 0.000 . 1 . . . . . 157 S CO . 26305 1 678 . 1 . 1 157 157 SER CA C 13 61.414 0.098 . 1 . . . . . 157 S CA . 26305 1 679 . 1 . 1 157 157 SER N N 15 119.079 0.110 . 1 . . . . . 157 S N . 26305 1 680 . 1 . 1 158 158 GLY H H 1 7.828 0.005 . 1 . . . . . 158 G HN . 26305 1 681 . 1 . 1 158 158 GLY C C 13 176.199 0.015 . 1 . . . . . 158 G CO . 26305 1 682 . 1 . 1 158 158 GLY CA C 13 46.788 0.018 . 1 . . . . . 158 G CA . 26305 1 683 . 1 . 1 158 158 GLY N N 15 109.323 0.026 . 1 . . . . . 158 G N . 26305 1 684 . 1 . 1 159 159 THR H H 1 7.368 0.002 . 1 . . . . . 159 T HN . 26305 1 685 . 1 . 1 159 159 THR C C 13 174.650 0.000 . 1 . . . . . 159 T CO . 26305 1 686 . 1 . 1 159 159 THR CA C 13 64.694 0.048 . 1 . . . . . 159 T CA . 26305 1 687 . 1 . 1 159 159 THR CB C 13 67.759 0.091 . 1 . . . . . 159 T CB . 26305 1 688 . 1 . 1 159 159 THR N N 15 112.951 0.059 . 1 . . . . . 159 T N . 26305 1 689 . 1 . 1 160 160 ILE H H 1 6.538 0.004 . 1 . . . . . 160 I HN . 26305 1 690 . 1 . 1 160 160 ILE C C 13 178.279 0.004 . 1 . . . . . 160 I CO . 26305 1 691 . 1 . 1 160 160 ILE CA C 13 65.912 0.172 . 1 . . . . . 160 I CA . 26305 1 692 . 1 . 1 160 160 ILE CB C 13 37.565 0.143 . 1 . . . . . 160 I CB . 26305 1 693 . 1 . 1 160 160 ILE N N 15 123.340 0.131 . 1 . . . . . 160 I N . 26305 1 694 . 1 . 1 161 161 ARG H H 1 7.955 0.004 . 1 . . . . . 161 R HN . 26305 1 695 . 1 . 1 161 161 ARG C C 13 179.459 0.018 . 1 . . . . . 161 R CO . 26305 1 696 . 1 . 1 161 161 ARG CA C 13 49.586 . . 1 . . . . . 161 R CA . 26305 1 697 . 1 . 1 161 161 ARG CB C 13 30.104 0.000 . 1 . . . . . 161 R CB . 26305 1 698 . 1 . 1 161 161 ARG N N 15 117.366 0.060 . 1 . . . . . 161 R N . 26305 1 699 . 1 . 1 162 162 ILE H H 1 7.282 0.004 . 1 . . . . . 162 I HN . 26305 1 700 . 1 . 1 162 162 ILE C C 13 177.491 0.000 . 1 . . . . . 162 I CO . 26305 1 701 . 1 . 1 162 162 ILE CA C 13 64.882 0.000 . 1 . . . . . 162 I CA . 26305 1 702 . 1 . 1 162 162 ILE CB C 13 38.808 0.087 . 1 . . . . . 162 I CB . 26305 1 703 . 1 . 1 162 162 ILE N N 15 119.243 0.073 . 1 . . . . . 162 I N . 26305 1 704 . 1 . 1 163 163 ILE H H 1 7.811 0.000 . 1 . . . . . 163 I HN . 26305 1 705 . 1 . 1 163 163 ILE C C 13 177.049 0.000 . 1 . . . . . 163 I CO . 26305 1 706 . 1 . 1 163 163 ILE CA C 13 65.661 0.000 . 1 . . . . . 163 I CA . 26305 1 707 . 1 . 1 163 163 ILE CB C 13 38.852 0.313 . 1 . . . . . 163 I CB . 26305 1 708 . 1 . 1 163 163 ILE N N 15 119.339 0.012 . 1 . . . . . 163 I N . 26305 1 709 . 1 . 1 164 164 ASN H H 1 8.693 0.001 . 1 . . . . . 164 N HN . 26305 1 710 . 1 . 1 164 164 ASN C C 13 176.460 0.000 . 1 . . . . . 164 N CO . 26305 1 711 . 1 . 1 164 164 ASN CA C 13 52.279 0.000 . 1 . . . . . 164 N CA . 26305 1 712 . 1 . 1 164 164 ASN CB C 13 39.421 0.203 . 1 . . . . . 164 N CB . 26305 1 713 . 1 . 1 164 164 ASN N N 15 115.157 0.051 . 1 . . . . . 164 N N . 26305 1 714 . 1 . 1 165 165 GLY H H 1 7.822 0.003 . 1 . . . . . 165 G HN . 26305 1 715 . 1 . 1 165 165 GLY C C 13 175.581 0.007 . 1 . . . . . 165 G CO . 26305 1 716 . 1 . 1 165 165 GLY CA C 13 49.417 0.075 . 1 . . . . . 165 G CA . 26305 1 717 . 1 . 1 165 165 GLY N N 15 109.409 0.071 . 1 . . . . . 165 G N . 26305 1 718 . 1 . 1 166 166 GLY H H 1 8.710 0.003 . 1 . . . . . 166 G HN . 26305 1 719 . 1 . 1 166 166 GLY C C 13 174.808 0.008 . 1 . . . . . 166 G CO . 26305 1 720 . 1 . 1 166 166 GLY CA C 13 46.697 0.021 . 1 . . . . . 166 G CA . 26305 1 721 . 1 . 1 166 166 GLY N N 15 108.004 0.063 . 1 . . . . . 166 G N . 26305 1 722 . 1 . 1 167 167 LEU H H 1 6.928 0.006 . 1 . . . . . 167 L HN . 26305 1 723 . 1 . 1 167 167 LEU C C 13 177.613 0.000 . 1 . . . . . 167 L CO . 26305 1 724 . 1 . 1 167 167 LEU CA C 13 54.968 0.000 . 1 . . . . . 167 L CA . 26305 1 725 . 1 . 1 167 167 LEU CB C 13 43.474 0.079 . 1 . . . . . 167 L CB . 26305 1 726 . 1 . 1 167 167 LEU N N 15 117.216 0.077 . 1 . . . . . 167 L N . 26305 1 727 . 1 . 1 168 168 GLU H H 1 7.411 0.003 . 1 . . . . . 168 E HN . 26305 1 728 . 1 . 1 168 168 GLU C C 13 176.410 0.017 . 1 . . . . . 168 E CO . 26305 1 729 . 1 . 1 168 168 GLU CA C 13 57.646 0.000 . 1 . . . . . 168 E CA . 26305 1 730 . 1 . 1 168 168 GLU CB C 13 32.457 0.000 . 1 . . . . . 168 E CB . 26305 1 731 . 1 . 1 168 168 GLU N N 15 114.247 0.068 . 1 . . . . . 168 E N . 26305 1 732 . 1 . 1 169 169 CYS H H 1 7.985 0.002 . 1 . . . . . 169 C HN . 26305 1 733 . 1 . 1 169 169 CYS C C 13 175.870 0.002 . 1 . . . . . 169 C CO . 26305 1 734 . 1 . 1 169 169 CYS CA C 13 51.055 0.082 . 1 . . . . . 169 C CA . 26305 1 735 . 1 . 1 169 169 CYS CB C 13 36.759 0.006 . 1 . . . . . 169 C CB . 26305 1 736 . 1 . 1 169 169 CYS N N 15 113.967 0.053 . 1 . . . . . 169 C N . 26305 1 737 . 1 . 1 170 170 ASN H H 1 10.395 0.002 . 1 . . . . . 170 N HN . 26305 1 738 . 1 . 1 170 170 ASN C C 13 174.702 0.000 . 1 . . . . . 170 N CO . 26305 1 739 . 1 . 1 170 170 ASN CA C 13 54.656 0.040 . 1 . . . . . 170 N CA . 26305 1 740 . 1 . 1 170 170 ASN CB C 13 37.358 0.076 . 1 . . . . . 170 N CB . 26305 1 741 . 1 . 1 170 170 ASN N N 15 120.489 0.069 . 1 . . . . . 170 N N . 26305 1 742 . 1 . 1 171 171 GLN H H 1 8.406 0.002 . 1 . . . . . 171 Q HN . 26305 1 743 . 1 . 1 171 171 GLN CA C 13 51.981 0.000 . 1 . . . . . 171 Q CA . 26305 1 744 . 1 . 1 171 171 GLN CB C 13 29.096 0.000 . 1 . . . . . 171 Q CB . 26305 1 745 . 1 . 1 171 171 GLN N N 15 116.800 0.071 . 1 . . . . . 171 Q N . 26305 1 746 . 1 . 1 172 172 PRO C C 13 177.613 0.000 . 1 . . . . . 172 P CO . 26305 1 747 . 1 . 1 172 172 PRO CB C 13 32.068 0.045 . 1 . . . . . 172 P CB . 26305 1 748 . 1 . 1 173 173 ALA H H 1 8.771 0.001 . 1 . . . . . 173 A HN . 26305 1 749 . 1 . 1 173 173 ALA C C 13 178.977 0.003 . 1 . . . . . 173 A CO . 26305 1 750 . 1 . 1 173 173 ALA CA C 13 53.546 0.068 . 1 . . . . . 173 A CA . 26305 1 751 . 1 . 1 173 173 ALA CB C 13 17.571 0.005 . 1 . . . . . 173 A CB . 26305 1 752 . 1 . 1 173 173 ALA N N 15 127.192 0.044 . 1 . . . . . 173 A N . 26305 1 753 . 1 . 1 174 174 GLY H H 1 8.725 0.002 . 1 . . . . . 174 G HN . 26305 1 754 . 1 . 1 174 174 GLY C C 13 173.871 0.011 . 1 . . . . . 174 G CO . 26305 1 755 . 1 . 1 174 174 GLY CA C 13 45.351 0.067 . 1 . . . . . 174 G CA . 26305 1 756 . 1 . 1 174 174 GLY N N 15 111.755 0.071 . 1 . . . . . 174 G N . 26305 1 757 . 1 . 1 175 175 SER H H 1 7.793 0.002 . 1 . . . . . 175 S HN . 26305 1 758 . 1 . 1 175 175 SER C C 13 174.948 0.009 . 1 . . . . . 175 S CO . 26305 1 759 . 1 . 1 175 175 SER CA C 13 57.922 0.068 . 1 . . . . . 175 S CA . 26305 1 760 . 1 . 1 175 175 SER CB C 13 65.638 0.039 . 1 . . . . . 175 S CB . 26305 1 761 . 1 . 1 175 175 SER N N 15 115.118 0.070 . 1 . . . . . 175 S N . 26305 1 762 . 1 . 1 176 176 ILE H H 1 8.823 0.003 . 1 . . . . . 176 I HN . 26305 1 763 . 1 . 1 176 176 ILE C C 13 178.279 0.000 . 1 . . . . . 176 I CO . 26305 1 764 . 1 . 1 176 176 ILE CA C 13 64.228 0.046 . 1 . . . . . 176 I CA . 26305 1 765 . 1 . 1 176 176 ILE CB C 13 37.564 0.070 . 1 . . . . . 176 I CB . 26305 1 766 . 1 . 1 176 176 ILE N N 15 121.961 0.066 . 1 . . . . . 176 I N . 26305 1 767 . 1 . 1 177 177 GLY H H 1 8.851 0.001 . 1 . . . . . 177 G HN . 26305 1 768 . 1 . 1 177 177 GLY C C 13 175.127 0.014 . 1 . . . . . 177 G CO . 26305 1 769 . 1 . 1 177 177 GLY CA C 13 47.396 0.038 . 1 . . . . . 177 G CA . 26305 1 770 . 1 . 1 177 177 GLY N N 15 108.091 0.037 . 1 . . . . . 177 G N . 26305 1 771 . 1 . 1 178 178 ASN H H 1 7.145 0.003 . 1 . . . . . 178 N HN . 26305 1 772 . 1 . 1 178 178 ASN C C 13 176.201 0.016 . 1 . . . . . 178 N CO . 26305 1 773 . 1 . 1 178 178 ASN CA C 13 57.306 0.000 . 1 . . . . . 178 N CA . 26305 1 774 . 1 . 1 178 178 ASN CB C 13 41.954 0.000 . 1 . . . . . 178 N CB . 26305 1 775 . 1 . 1 178 178 ASN N N 15 118.783 0.039 . 1 . . . . . 178 N N . 26305 1 776 . 1 . 1 179 179 MET H H 1 8.261 0.002 . 1 . . . . . 179 M HN . 26305 1 777 . 1 . 1 179 179 MET C C 13 178.748 0.017 . 1 . . . . . 179 M CO . 26305 1 778 . 1 . 1 179 179 MET CA C 13 58.763 0.124 . 1 . . . . . 179 M CA . 26305 1 779 . 1 . 1 179 179 MET CB C 13 31.879 0.000 . 1 . . . . . 179 M CB . 26305 1 780 . 1 . 1 179 179 MET N N 15 117.433 0.062 . 1 . . . . . 179 M N . 26305 1 781 . 1 . 1 180 180 GLN H H 1 7.806 0.004 . 1 . . . . . 180 Q HN . 26305 1 782 . 1 . 1 180 180 GLN C C 13 176.516 0.004 . 1 . . . . . 180 Q CO . 26305 1 783 . 1 . 1 180 180 GLN CA C 13 59.880 0.000 . 1 . . . . . 180 Q CA . 26305 1 784 . 1 . 1 180 180 GLN CB C 13 27.495 0.049 . 1 . . . . . 180 Q CB . 26305 1 785 . 1 . 1 180 180 GLN N N 15 119.908 0.101 . 1 . . . . . 180 Q N . 26305 1 786 . 1 . 1 181 181 MET H H 1 7.613 0.002 . 1 . . . . . 181 M HN . 26305 1 787 . 1 . 1 181 181 MET C C 13 178.418 0.008 . 1 . . . . . 181 M CO . 26305 1 788 . 1 . 1 181 181 MET CA C 13 60.417 0.048 . 1 . . . . . 181 M CA . 26305 1 789 . 1 . 1 181 181 MET CB C 13 29.396 0.000 . 1 . . . . . 181 M CB . 26305 1 790 . 1 . 1 181 181 MET N N 15 121.656 0.042 . 1 . . . . . 181 M N . 26305 1 791 . 1 . 1 182 182 GLU H H 1 8.304 0.001 . 1 . . . . . 182 E HN . 26305 1 792 . 1 . 1 182 182 GLU C C 13 179.685 0.004 . 1 . . . . . 182 E CO . 26305 1 793 . 1 . 1 182 182 GLU CA C 13 58.472 0.043 . 1 . . . . . 182 E CA . 26305 1 794 . 1 . 1 182 182 GLU CB C 13 28.882 0.090 . 1 . . . . . 182 E CB . 26305 1 795 . 1 . 1 182 182 GLU N N 15 116.433 0.038 . 1 . . . . . 182 E N . 26305 1 796 . 1 . 1 183 183 ASN H H 1 8.113 0.003 . 1 . . . . . 183 N HN . 26305 1 797 . 1 . 1 183 183 ASN C C 13 176.271 0.000 . 1 . . . . . 183 N CO . 26305 1 798 . 1 . 1 183 183 ASN CA C 13 55.197 0.000 . 1 . . . . . 183 N CA . 26305 1 799 . 1 . 1 183 183 ASN CB C 13 36.965 0.000 . 1 . . . . . 183 N CB . 26305 1 800 . 1 . 1 183 183 ASN N N 15 120.224 0.060 . 1 . . . . . 183 N N . 26305 1 801 . 1 . 1 184 184 ARG H H 1 7.622 0.004 . 1 . . . . . 184 R HN . 26305 1 802 . 1 . 1 184 184 ARG C C 13 177.815 0.006 . 1 . . . . . 184 R CO . 26305 1 803 . 1 . 1 184 184 ARG CA C 13 61.174 0.124 . 1 . . . . . 184 R CA . 26305 1 804 . 1 . 1 184 184 ARG CB C 13 29.436 0.000 . 1 . . . . . 184 R CB . 26305 1 805 . 1 . 1 184 184 ARG N N 15 117.721 0.001 . 1 . . . . . 184 R N . 26305 1 806 . 1 . 1 185 185 VAL H H 1 7.625 0.004 . 1 . . . . . 185 V HN . 26305 1 807 . 1 . 1 185 185 VAL C C 13 179.139 0.002 . 1 . . . . . 185 V CO . 26305 1 808 . 1 . 1 185 185 VAL CA C 13 67.121 0.110 . 1 . . . . . 185 V CA . 26305 1 809 . 1 . 1 185 185 VAL CB C 13 31.611 0.000 . 1 . . . . . 185 V CB . 26305 1 810 . 1 . 1 185 185 VAL N N 15 117.622 0.089 . 1 . . . . . 185 V N . 26305 1 811 . 1 . 1 186 186 THR H H 1 8.869 0.003 . 1 . . . . . 186 T HN . 26305 1 812 . 1 . 1 186 186 THR C C 13 175.428 0.000 . 1 . . . . . 186 T CO . 26305 1 813 . 1 . 1 186 186 THR CA C 13 67.866 0.000 . 1 . . . . . 186 T CA . 26305 1 814 . 1 . 1 186 186 THR N N 15 121.799 0.036 . 1 . . . . . 186 T N . 26305 1 815 . 1 . 1 187 187 TYR H H 1 8.031 0.001 . 1 . . . . . 187 Y HN . 26305 1 816 . 1 . 1 187 187 TYR C C 13 176.272 0.027 . 1 . . . . . 187 Y CO . 26305 1 817 . 1 . 1 187 187 TYR CB C 13 36.573 0.089 . 1 . . . . . 187 Y CB . 26305 1 818 . 1 . 1 187 187 TYR N N 15 120.362 0.033 . 1 . . . . . 187 Y N . 26305 1 819 . 1 . 1 188 188 TYR H H 1 8.305 0.003 . 1 . . . . . 188 Y HN . 26305 1 820 . 1 . 1 188 188 TYR C C 13 177.933 0.000 . 1 . . . . . 188 Y CO . 26305 1 821 . 1 . 1 188 188 TYR CA C 13 60.184 0.065 . 1 . . . . . 188 Y CA . 26305 1 822 . 1 . 1 188 188 TYR CB C 13 39.332 0.009 . 1 . . . . . 188 Y CB . 26305 1 823 . 1 . 1 188 188 TYR N N 15 117.284 0.058 . 1 . . . . . 188 Y N . 26305 1 824 . 1 . 1 189 189 THR H H 1 8.442 0.005 . 1 . . . . . 189 T HN . 26305 1 825 . 1 . 1 189 189 THR C C 13 177.582 0.000 . 1 . . . . . 189 T CO . 26305 1 826 . 1 . 1 189 189 THR CA C 13 66.709 0.000 . 1 . . . . . 189 T CA . 26305 1 827 . 1 . 1 189 189 THR CB C 13 68.535 0.009 . 1 . . . . . 189 T CB . 26305 1 828 . 1 . 1 189 189 THR N N 15 111.693 0.067 . 1 . . . . . 189 T N . 26305 1 829 . 1 . 1 190 190 GLN H H 1 8.277 0.001 . 1 . . . . . 190 Q HN . 26305 1 830 . 1 . 1 190 190 GLN C C 13 179.088 0.008 . 1 . . . . . 190 Q CO . 26305 1 831 . 1 . 1 190 190 GLN CA C 13 59.215 0.033 . 1 . . . . . 190 Q CA . 26305 1 832 . 1 . 1 190 190 GLN CB C 13 27.609 0.000 . 1 . . . . . 190 Q CB . 26305 1 833 . 1 . 1 190 190 GLN N N 15 124.237 0.042 . 1 . . . . . 190 Q N . 26305 1 834 . 1 . 1 191 191 PHE H H 1 8.599 0.002 . 1 . . . . . 191 F HN . 26305 1 835 . 1 . 1 191 191 PHE C C 13 179.336 0.017 . 1 . . . . . 191 F CO . 26305 1 836 . 1 . 1 191 191 PHE CA C 13 57.284 0.000 . 1 . . . . . 191 F CA . 26305 1 837 . 1 . 1 191 191 PHE CB C 13 35.556 0.048 . 1 . . . . . 191 F CB . 26305 1 838 . 1 . 1 191 191 PHE N N 15 122.568 0.077 . 1 . . . . . 191 F N . 26305 1 839 . 1 . 1 192 192 CYS H H 1 8.480 0.002 . 1 . . . . . 192 C HN . 26305 1 840 . 1 . 1 192 192 CYS C C 13 177.279 0.012 . 1 . . . . . 192 C CO . 26305 1 841 . 1 . 1 192 192 CYS CA C 13 65.511 0.111 . 1 . . . . . 192 C CA . 26305 1 842 . 1 . 1 192 192 CYS CB C 13 25.762 0.038 . 1 . . . . . 192 C CB . 26305 1 843 . 1 . 1 192 192 CYS N N 15 118.820 0.080 . 1 . . . . . 192 C N . 26305 1 844 . 1 . 1 193 193 GLN H H 1 7.818 0.003 . 1 . . . . . 193 Q HN . 26305 1 845 . 1 . 1 193 193 GLN C C 13 180.198 0.009 . 1 . . . . . 193 Q CO . 26305 1 846 . 1 . 1 193 193 GLN CA C 13 59.354 0.160 . 1 . . . . . 193 Q CA . 26305 1 847 . 1 . 1 193 193 GLN CB C 13 27.459 0.046 . 1 . . . . . 193 Q CB . 26305 1 848 . 1 . 1 193 193 GLN N N 15 120.056 0.096 . 1 . . . . . 193 Q N . 26305 1 849 . 1 . 1 194 194 THR H H 1 8.232 0.001 . 1 . . . . . 194 T HN . 26305 1 850 . 1 . 1 194 194 THR C C 13 176.221 0.000 . 1 . . . . . 194 T CO . 26305 1 851 . 1 . 1 194 194 THR CA C 13 67.041 0.031 . 1 . . . . . 194 T CA . 26305 1 852 . 1 . 1 194 194 THR CB C 13 69.160 0.005 . 1 . . . . . 194 T CB . 26305 1 853 . 1 . 1 194 194 THR N N 15 117.938 0.100 . 1 . . . . . 194 T N . 26305 1 854 . 1 . 1 195 195 LEU H H 1 7.580 0.002 . 1 . . . . . 195 L HN . 26305 1 855 . 1 . 1 195 195 LEU C C 13 175.878 0.003 . 1 . . . . . 195 L CO . 26305 1 856 . 1 . 1 195 195 LEU CA C 13 54.820 0.039 . 1 . . . . . 195 L CA . 26305 1 857 . 1 . 1 195 195 LEU CB C 13 42.471 0.097 . 1 . . . . . 195 L CB . 26305 1 858 . 1 . 1 195 195 LEU N N 15 116.052 0.030 . 1 . . . . . 195 L N . 26305 1 859 . 1 . 1 196 196 GLY H H 1 7.974 0.001 . 1 . . . . . 196 G HN . 26305 1 860 . 1 . 1 196 196 GLY C C 13 173.822 0.003 . 1 . . . . . 196 G CO . 26305 1 861 . 1 . 1 196 196 GLY CA C 13 46.707 0.047 . 1 . . . . . 196 G CA . 26305 1 862 . 1 . 1 196 196 GLY N N 15 109.972 0.060 . 1 . . . . . 196 G N . 26305 1 863 . 1 . 1 197 197 VAL H H 1 7.815 0.004 . 1 . . . . . 197 V HN . 26305 1 864 . 1 . 1 197 197 VAL C C 13 172.419 0.002 . 1 . . . . . 197 V CO . 26305 1 865 . 1 . 1 197 197 VAL CA C 13 58.091 0.114 . 1 . . . . . 197 V CA . 26305 1 866 . 1 . 1 197 197 VAL CB C 13 36.113 0.089 . 1 . . . . . 197 V CB . 26305 1 867 . 1 . 1 197 197 VAL N N 15 118.048 0.058 . 1 . . . . . 197 V N . 26305 1 868 . 1 . 1 198 198 ASP H H 1 8.325 0.003 . 1 . . . . . 198 D HN . 26305 1 869 . 1 . 1 198 198 ASP C C 13 174.974 0.000 . 1 . . . . . 198 D CO . 26305 1 870 . 1 . 1 198 198 ASP CA C 13 51.618 0.000 . 1 . . . . . 198 D CA . 26305 1 871 . 1 . 1 198 198 ASP N N 15 128.963 0.074 . 1 . . . . . 198 D N . 26305 1 872 . 1 . 1 199 199 PRO C C 13 178.461 0.000 . 1 . . . . . 199 P CO . 26305 1 873 . 1 . 1 199 199 PRO CA C 13 48.490 . . 1 . . . . . 199 P CA . 26305 1 874 . 1 . 1 200 200 GLY H H 1 8.109 0.002 . 1 . . . . . 200 G HN . 26305 1 875 . 1 . 1 200 200 GLY C C 13 173.195 0.003 . 1 . . . . . 200 G CO . 26305 1 876 . 1 . 1 200 200 GLY CA C 13 43.360 0.013 . 1 . . . . . 200 G CA . 26305 1 877 . 1 . 1 200 200 GLY N N 15 107.227 0.023 . 1 . . . . . 200 G N . 26305 1 878 . 1 . 1 201 201 THR H H 1 7.742 0.004 . 1 . . . . . 201 T HN . 26305 1 879 . 1 . 1 201 201 THR C C 13 176.012 0.009 . 1 . . . . . 201 T CO . 26305 1 880 . 1 . 1 201 201 THR CA C 13 61.631 0.063 . 1 . . . . . 201 T CA . 26305 1 881 . 1 . 1 201 201 THR CB C 13 69.718 0.035 . 1 . . . . . 201 T CB . 26305 1 882 . 1 . 1 201 201 THR N N 15 104.649 0.043 . 1 . . . . . 201 T N . 26305 1 883 . 1 . 1 202 202 ASP H H 1 8.530 0.003 . 1 . . . . . 202 D HN . 26305 1 884 . 1 . 1 202 202 ASP C C 13 175.395 0.004 . 1 . . . . . 202 D CO . 26305 1 885 . 1 . 1 202 202 ASP CA C 13 52.808 0.075 . 1 . . . . . 202 D CA . 26305 1 886 . 1 . 1 202 202 ASP CB C 13 38.981 0.105 . 1 . . . . . 202 D CB . 26305 1 887 . 1 . 1 202 202 ASP N N 15 125.885 0.061 . 1 . . . . . 202 D N . 26305 1 888 . 1 . 1 203 203 LEU H H 1 7.838 0.002 . 1 . . . . . 203 L HN . 26305 1 889 . 1 . 1 203 203 LEU C C 13 174.182 0.009 . 1 . . . . . 203 L CO . 26305 1 890 . 1 . 1 203 203 LEU CA C 13 57.171 0.084 . 1 . . . . . 203 L CA . 26305 1 891 . 1 . 1 203 203 LEU CB C 13 44.825 0.065 . 1 . . . . . 203 L CB . 26305 1 892 . 1 . 1 203 203 LEU N N 15 122.630 0.096 . 1 . . . . . 203 L N . 26305 1 893 . 1 . 1 204 204 ARG H H 1 7.694 0.003 . 1 . . . . . 204 R HN . 26305 1 894 . 1 . 1 204 204 ARG C C 13 176.218 0.005 . 1 . . . . . 204 R CO . 26305 1 895 . 1 . 1 204 204 ARG CA C 13 55.325 0.000 . 1 . . . . . 204 R CA . 26305 1 896 . 1 . 1 204 204 ARG CB C 13 32.826 0.000 . 1 . . . . . 204 R CB . 26305 1 897 . 1 . 1 204 204 ARG N N 15 111.771 0.049 . 1 . . . . . 204 R N . 26305 1 898 . 1 . 1 205 205 CYS H H 1 7.463 0.005 . 1 . . . . . 205 C HN . 26305 1 899 . 1 . 1 205 205 CYS C C 13 178.150 0.000 . 1 . . . . . 205 C CO . 26305 1 900 . 1 . 1 205 205 CYS CA C 13 57.844 0.000 . 1 . . . . . 205 C CA . 26305 1 901 . 1 . 1 205 205 CYS N N 15 120.315 0.100 . 1 . . . . . 205 C N . 26305 1 stop_ save_