data_26877 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26877 _Entry.Title ; Backbone chemical shift assignments of N72D mutant of Vibrio cholerae peptidyl-tRNA hydrolase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-15 _Entry.Accession_date 2016-08-15 _Entry.Last_release_date 2016-08-15 _Entry.Original_release_date 2016-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Ashish Kabra . . . . 26877 2 Salman Shahid . . . . 26877 3 Ashish Arora . . . . 26877 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26877 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 560 26877 '15N chemical shifts' 183 26877 '1H chemical shifts' 183 26877 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 . . 2017-02-16 . original BMRB . 26877 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26875 'VcPth-H24N mutant' 26877 BMRB 26876 'VcPth-N14D mutant' 26877 BMRB 26878 'VcPth-N118D mutant' 26877 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26877 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28096445 _Citation.Full_citation . _Citation.Title ; Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-9001 _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 202 _Citation.Page_last 216 _Citation.Year 2017 _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 Ashish Kabra . . . . 26877 1 2 Salman Shahid . . . . 26877 1 3 Ravikant Pal . . . . 26877 1 4 Rahul Yadav . . . . 26877 1 5 SVSRK Pulavarti . . . . 26877 1 6 Anupam Jain . . . . 26877 1 7 Sarita Tripathi . . . . 26877 1 8 Ashish Arora . . . . 26877 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Molecular dynamics' 26877 1 NMR 26877 1 'peptidyl-tRNA hydrolase' 26877 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26877 _Assembly.ID 1 _Assembly.Name 'VcPth-N72D mutant' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'VcPth-N72D mutant' 1 $VcPth-N72D_mutant A . yes native no no . . . 26877 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VcPth-N72D_mutant _Entity.Sf_category entity _Entity.Sf_framecode VcPth-N72D_mutant _Entity.Entry_ID 26877 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VcPth-N72D_mutant _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMVSQPIKLLVGLANPGPE YAKTRHNAGAWVVEELARIH NVTLKNEPKFFGLTGRLLIN SQELRVLIPTTFMDLSGKAI AALANFYQIKPEEIMVAHDE LDLPPGVAKFKQGGGHGGHN GLKDTISKLGNNKEFYRLRL GIGHPGHKDKVAGYVLGKAP AKEQECLDAAVDESVRCLEI LMKDGLTKAQNRLHTFKAE ; _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 199 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 GLY . 26877 1 2 0 ALA . 26877 1 3 1 MET . 26877 1 4 2 VAL . 26877 1 5 3 SER . 26877 1 6 4 GLN . 26877 1 7 5 PRO . 26877 1 8 6 ILE . 26877 1 9 7 LYS . 26877 1 10 8 LEU . 26877 1 11 9 LEU . 26877 1 12 10 VAL . 26877 1 13 11 GLY . 26877 1 14 12 LEU . 26877 1 15 13 ALA . 26877 1 16 14 ASN . 26877 1 17 15 PRO . 26877 1 18 16 GLY . 26877 1 19 17 PRO . 26877 1 20 18 GLU . 26877 1 21 19 TYR . 26877 1 22 20 ALA . 26877 1 23 21 LYS . 26877 1 24 22 THR . 26877 1 25 23 ARG . 26877 1 26 24 HIS . 26877 1 27 25 ASN . 26877 1 28 26 ALA . 26877 1 29 27 GLY . 26877 1 30 28 ALA . 26877 1 31 29 TRP . 26877 1 32 30 VAL . 26877 1 33 31 VAL . 26877 1 34 32 GLU . 26877 1 35 33 GLU . 26877 1 36 34 LEU . 26877 1 37 35 ALA . 26877 1 38 36 ARG . 26877 1 39 37 ILE . 26877 1 40 38 HIS . 26877 1 41 39 ASN . 26877 1 42 40 VAL . 26877 1 43 41 THR . 26877 1 44 42 LEU . 26877 1 45 43 LYS . 26877 1 46 44 ASN . 26877 1 47 45 GLU . 26877 1 48 46 PRO . 26877 1 49 47 LYS . 26877 1 50 48 PHE . 26877 1 51 49 PHE . 26877 1 52 50 GLY . 26877 1 53 51 LEU . 26877 1 54 52 THR . 26877 1 55 53 GLY . 26877 1 56 54 ARG . 26877 1 57 55 LEU . 26877 1 58 56 LEU . 26877 1 59 57 ILE . 26877 1 60 58 ASN . 26877 1 61 59 SER . 26877 1 62 60 GLN . 26877 1 63 61 GLU . 26877 1 64 62 LEU . 26877 1 65 63 ARG . 26877 1 66 64 VAL . 26877 1 67 65 LEU . 26877 1 68 66 ILE . 26877 1 69 67 PRO . 26877 1 70 68 THR . 26877 1 71 69 THR . 26877 1 72 70 PHE . 26877 1 73 71 MET . 26877 1 74 72 ASP . 26877 1 75 73 LEU . 26877 1 76 74 SER . 26877 1 77 75 GLY . 26877 1 78 76 LYS . 26877 1 79 77 ALA . 26877 1 80 78 ILE . 26877 1 81 79 ALA . 26877 1 82 80 ALA . 26877 1 83 81 LEU . 26877 1 84 82 ALA . 26877 1 85 83 ASN . 26877 1 86 84 PHE . 26877 1 87 85 TYR . 26877 1 88 86 GLN . 26877 1 89 87 ILE . 26877 1 90 88 LYS . 26877 1 91 89 PRO . 26877 1 92 90 GLU . 26877 1 93 91 GLU . 26877 1 94 92 ILE . 26877 1 95 93 MET . 26877 1 96 94 VAL . 26877 1 97 95 ALA . 26877 1 98 96 HIS . 26877 1 99 97 ASP . 26877 1 100 98 GLU . 26877 1 101 99 LEU . 26877 1 102 100 ASP . 26877 1 103 101 LEU . 26877 1 104 102 PRO . 26877 1 105 103 PRO . 26877 1 106 104 GLY . 26877 1 107 105 VAL . 26877 1 108 106 ALA . 26877 1 109 107 LYS . 26877 1 110 108 PHE . 26877 1 111 109 LYS . 26877 1 112 110 GLN . 26877 1 113 111 GLY . 26877 1 114 112 GLY . 26877 1 115 113 GLY . 26877 1 116 114 HIS . 26877 1 117 115 GLY . 26877 1 118 116 GLY . 26877 1 119 117 HIS . 26877 1 120 118 ASN . 26877 1 121 119 GLY . 26877 1 122 120 LEU . 26877 1 123 121 LYS . 26877 1 124 122 ASP . 26877 1 125 123 THR . 26877 1 126 124 ILE . 26877 1 127 125 SER . 26877 1 128 126 LYS . 26877 1 129 127 LEU . 26877 1 130 128 GLY . 26877 1 131 129 ASN . 26877 1 132 130 ASN . 26877 1 133 131 LYS . 26877 1 134 132 GLU . 26877 1 135 133 PHE . 26877 1 136 134 TYR . 26877 1 137 135 ARG . 26877 1 138 136 LEU . 26877 1 139 137 ARG . 26877 1 140 138 LEU . 26877 1 141 139 GLY . 26877 1 142 140 ILE . 26877 1 143 141 GLY . 26877 1 144 142 HIS . 26877 1 145 143 PRO . 26877 1 146 144 GLY . 26877 1 147 145 HIS . 26877 1 148 146 LYS . 26877 1 149 147 ASP . 26877 1 150 148 LYS . 26877 1 151 149 VAL . 26877 1 152 150 ALA . 26877 1 153 151 GLY . 26877 1 154 152 TYR . 26877 1 155 153 VAL . 26877 1 156 154 LEU . 26877 1 157 155 GLY . 26877 1 158 156 LYS . 26877 1 159 157 ALA . 26877 1 160 158 PRO . 26877 1 161 159 ALA . 26877 1 162 160 LYS . 26877 1 163 161 GLU . 26877 1 164 162 GLN . 26877 1 165 163 GLU . 26877 1 166 164 CYS . 26877 1 167 165 LEU . 26877 1 168 166 ASP . 26877 1 169 167 ALA . 26877 1 170 168 ALA . 26877 1 171 169 VAL . 26877 1 172 170 ASP . 26877 1 173 171 GLU . 26877 1 174 172 SER . 26877 1 175 173 VAL . 26877 1 176 174 ARG . 26877 1 177 175 CYS . 26877 1 178 176 LEU . 26877 1 179 177 GLU . 26877 1 180 178 ILE . 26877 1 181 179 LEU . 26877 1 182 180 MET . 26877 1 183 181 LYS . 26877 1 184 182 ASP . 26877 1 185 183 GLY . 26877 1 186 184 LEU . 26877 1 187 185 THR . 26877 1 188 186 LYS . 26877 1 189 187 ALA . 26877 1 190 188 GLN . 26877 1 191 189 ASN . 26877 1 192 190 ARG . 26877 1 193 191 LEU . 26877 1 194 192 HIS . 26877 1 195 193 THR . 26877 1 196 194 PHE . 26877 1 197 195 LYS . 26877 1 198 196 ALA . 26877 1 199 197 GLU . 26877 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 . GLY 1 1 26877 1 . ALA 2 2 26877 1 . MET 3 3 26877 1 . VAL 4 4 26877 1 . SER 5 5 26877 1 . GLN 6 6 26877 1 . PRO 7 7 26877 1 . ILE 8 8 26877 1 . LYS 9 9 26877 1 . LEU 10 10 26877 1 . LEU 11 11 26877 1 . VAL 12 12 26877 1 . GLY 13 13 26877 1 . LEU 14 14 26877 1 . ALA 15 15 26877 1 . ASN 16 16 26877 1 . PRO 17 17 26877 1 . GLY 18 18 26877 1 . PRO 19 19 26877 1 . GLU 20 20 26877 1 . TYR 21 21 26877 1 . ALA 22 22 26877 1 . LYS 23 23 26877 1 . THR 24 24 26877 1 . ARG 25 25 26877 1 . HIS 26 26 26877 1 . ASN 27 27 26877 1 . ALA 28 28 26877 1 . GLY 29 29 26877 1 . ALA 30 30 26877 1 . TRP 31 31 26877 1 . VAL 32 32 26877 1 . VAL 33 33 26877 1 . GLU 34 34 26877 1 . GLU 35 35 26877 1 . LEU 36 36 26877 1 . ALA 37 37 26877 1 . ARG 38 38 26877 1 . ILE 39 39 26877 1 . HIS 40 40 26877 1 . ASN 41 41 26877 1 . VAL 42 42 26877 1 . THR 43 43 26877 1 . LEU 44 44 26877 1 . LYS 45 45 26877 1 . ASN 46 46 26877 1 . GLU 47 47 26877 1 . PRO 48 48 26877 1 . LYS 49 49 26877 1 . PHE 50 50 26877 1 . PHE 51 51 26877 1 . GLY 52 52 26877 1 . LEU 53 53 26877 1 . THR 54 54 26877 1 . GLY 55 55 26877 1 . ARG 56 56 26877 1 . LEU 57 57 26877 1 . LEU 58 58 26877 1 . ILE 59 59 26877 1 . ASN 60 60 26877 1 . SER 61 61 26877 1 . GLN 62 62 26877 1 . GLU 63 63 26877 1 . LEU 64 64 26877 1 . ARG 65 65 26877 1 . VAL 66 66 26877 1 . LEU 67 67 26877 1 . ILE 68 68 26877 1 . PRO 69 69 26877 1 . THR 70 70 26877 1 . THR 71 71 26877 1 . PHE 72 72 26877 1 . MET 73 73 26877 1 . ASP 74 74 26877 1 . LEU 75 75 26877 1 . SER 76 76 26877 1 . GLY 77 77 26877 1 . LYS 78 78 26877 1 . ALA 79 79 26877 1 . ILE 80 80 26877 1 . ALA 81 81 26877 1 . ALA 82 82 26877 1 . LEU 83 83 26877 1 . ALA 84 84 26877 1 . ASN 85 85 26877 1 . PHE 86 86 26877 1 . TYR 87 87 26877 1 . GLN 88 88 26877 1 . ILE 89 89 26877 1 . LYS 90 90 26877 1 . PRO 91 91 26877 1 . GLU 92 92 26877 1 . GLU 93 93 26877 1 . ILE 94 94 26877 1 . MET 95 95 26877 1 . VAL 96 96 26877 1 . ALA 97 97 26877 1 . HIS 98 98 26877 1 . ASP 99 99 26877 1 . GLU 100 100 26877 1 . LEU 101 101 26877 1 . ASP 102 102 26877 1 . LEU 103 103 26877 1 . PRO 104 104 26877 1 . PRO 105 105 26877 1 . GLY 106 106 26877 1 . VAL 107 107 26877 1 . ALA 108 108 26877 1 . LYS 109 109 26877 1 . PHE 110 110 26877 1 . LYS 111 111 26877 1 . GLN 112 112 26877 1 . GLY 113 113 26877 1 . GLY 114 114 26877 1 . GLY 115 115 26877 1 . HIS 116 116 26877 1 . GLY 117 117 26877 1 . GLY 118 118 26877 1 . HIS 119 119 26877 1 . ASN 120 120 26877 1 . GLY 121 121 26877 1 . LEU 122 122 26877 1 . LYS 123 123 26877 1 . ASP 124 124 26877 1 . THR 125 125 26877 1 . ILE 126 126 26877 1 . SER 127 127 26877 1 . LYS 128 128 26877 1 . LEU 129 129 26877 1 . GLY 130 130 26877 1 . ASN 131 131 26877 1 . ASN 132 132 26877 1 . LYS 133 133 26877 1 . GLU 134 134 26877 1 . PHE 135 135 26877 1 . TYR 136 136 26877 1 . ARG 137 137 26877 1 . LEU 138 138 26877 1 . ARG 139 139 26877 1 . LEU 140 140 26877 1 . GLY 141 141 26877 1 . ILE 142 142 26877 1 . GLY 143 143 26877 1 . HIS 144 144 26877 1 . PRO 145 145 26877 1 . GLY 146 146 26877 1 . HIS 147 147 26877 1 . LYS 148 148 26877 1 . ASP 149 149 26877 1 . LYS 150 150 26877 1 . VAL 151 151 26877 1 . ALA 152 152 26877 1 . GLY 153 153 26877 1 . TYR 154 154 26877 1 . VAL 155 155 26877 1 . LEU 156 156 26877 1 . GLY 157 157 26877 1 . LYS 158 158 26877 1 . ALA 159 159 26877 1 . PRO 160 160 26877 1 . ALA 161 161 26877 1 . LYS 162 162 26877 1 . GLU 163 163 26877 1 . GLN 164 164 26877 1 . GLU 165 165 26877 1 . CYS 166 166 26877 1 . LEU 167 167 26877 1 . ASP 168 168 26877 1 . ALA 169 169 26877 1 . ALA 170 170 26877 1 . VAL 171 171 26877 1 . ASP 172 172 26877 1 . GLU 173 173 26877 1 . SER 174 174 26877 1 . VAL 175 175 26877 1 . ARG 176 176 26877 1 . CYS 177 177 26877 1 . LEU 178 178 26877 1 . GLU 179 179 26877 1 . ILE 180 180 26877 1 . LEU 181 181 26877 1 . MET 182 182 26877 1 . LYS 183 183 26877 1 . ASP 184 184 26877 1 . GLY 185 185 26877 1 . LEU 186 186 26877 1 . THR 187 187 26877 1 . LYS 188 188 26877 1 . ALA 189 189 26877 1 . GLN 190 190 26877 1 . ASN 191 191 26877 1 . ARG 192 192 26877 1 . LEU 193 193 26877 1 . HIS 194 194 26877 1 . THR 195 195 26877 1 . PHE 196 196 26877 1 . LYS 197 197 26877 1 . ALA 198 198 26877 1 . GLU 199 199 26877 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26877 _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 $VcPth-N72D_mutant . 666 organism . 'Vibrio cholerae' g-proteobacteria . . Bacteria . Vibrio cholerae 'El Tor' . . . . . . . . . . . . 26877 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26877 _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 $VcPth-N72D_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pET-NH6 . . . 26877 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26877 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VcPth-N72D mutant' '[U-100% 15N]' . . 1 $VcPth-N72D_mutant . . 0.8 . . mM . . . . 26877 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26877 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 26877 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26877 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26877 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26877 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VcPth-N72D mutant' '[U-100% 13C; U-100% 15N]' . . 1 $VcPth-N72D_mutant . . 1.0 . . mM . . . . 26877 2 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26877 2 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 26877 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26877 2 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26877 2 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 26877 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 26877 1 pH 6.5 . pH 26877 1 pressure 1 . atm 26877 1 temperature 273 . K 26877 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26877 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26877 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26877 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26877 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26877 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26877 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26877 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26877 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 26877 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26877 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26877 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26877 1 3 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26877 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26877 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26877 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26877 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26877 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26877 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26877 1 2 '3D HNCACB' . . . 26877 1 3 '3D HN(CA)CO' . . . 26877 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.471 0.020 . 1 . . . . 1 MET H . 26877 1 2 . 1 1 3 3 MET C C 13 176.059 0.3 . 1 . . . . 1 MET C . 26877 1 3 . 1 1 3 3 MET CA C 13 55.592 0.3 . 1 . . . . 1 MET CA . 26877 1 4 . 1 1 3 3 MET CB C 13 32.913 0.3 . 1 . . . . 1 MET CB . 26877 1 5 . 1 1 3 3 MET N N 15 120.643 0.3 . 1 . . . . 1 MET N . 26877 1 6 . 1 1 4 4 VAL H H 1 8.222 0.020 . 1 . . . . 2 VAL H . 26877 1 7 . 1 1 4 4 VAL C C 13 175.768 0.3 . 1 . . . . 2 VAL C . 26877 1 8 . 1 1 4 4 VAL CA C 13 62.167 0.3 . 1 . . . . 2 VAL CA . 26877 1 9 . 1 1 4 4 VAL CB C 13 33.109 0.3 . 1 . . . . 2 VAL CB . 26877 1 10 . 1 1 4 4 VAL N N 15 122.468 0.3 . 1 . . . . 2 VAL N . 26877 1 11 . 1 1 5 5 SER H H 1 8.343 0.020 . 1 . . . . 3 SER H . 26877 1 12 . 1 1 5 5 SER C C 13 173.514 0.3 . 1 . . . . 3 SER C . 26877 1 13 . 1 1 5 5 SER CA C 13 58.253 0.3 . 1 . . . . 3 SER CA . 26877 1 14 . 1 1 5 5 SER CB C 13 63.811 0.3 . 1 . . . . 3 SER CB . 26877 1 15 . 1 1 5 5 SER N N 15 119.969 0.3 . 1 . . . . 3 SER N . 26877 1 16 . 1 1 6 6 GLN H H 1 8.370 0.020 . 1 . . . . 4 GLN H . 26877 1 17 . 1 1 6 6 GLN C C 13 173.732 0.3 . 1 . . . . 4 GLN C . 26877 1 18 . 1 1 6 6 GLN CA C 13 53.478 0.3 . 1 . . . . 4 GLN CA . 26877 1 19 . 1 1 6 6 GLN CB C 13 29.369 0.3 . 1 . . . . 4 GLN CB . 26877 1 20 . 1 1 6 6 GLN N N 15 123.865 0.3 . 1 . . . . 4 GLN N . 26877 1 21 . 1 1 7 7 PRO C C 13 176.242 0.3 . 1 . . . . 5 PRO C . 26877 1 22 . 1 1 7 7 PRO CA C 13 64.328 0.3 . 1 . . . . 5 PRO CA . 26877 1 23 . 1 1 7 7 PRO CB C 13 32.547 0.3 . 1 . . . . 5 PRO CB . 26877 1 24 . 1 1 8 8 ILE H H 1 7.715 0.020 . 1 . . . . 6 ILE H . 26877 1 25 . 1 1 8 8 ILE C C 13 175.577 0.3 . 1 . . . . 6 ILE C . 26877 1 26 . 1 1 8 8 ILE CA C 13 59.036 0.3 . 1 . . . . 6 ILE CA . 26877 1 27 . 1 1 8 8 ILE CB C 13 38.684 0.3 . 1 . . . . 6 ILE CB . 26877 1 28 . 1 1 8 8 ILE N N 15 114.275 0.3 . 1 . . . . 6 ILE N . 26877 1 29 . 1 1 9 9 LYS H H 1 9.447 0.020 . 1 . . . . 7 LYS H . 26877 1 30 . 1 1 9 9 LYS C C 13 175.898 0.3 . 1 . . . . 7 LYS C . 26877 1 31 . 1 1 9 9 LYS CA C 13 56.766 0.3 . 1 . . . . 7 LYS CA . 26877 1 32 . 1 1 9 9 LYS CB C 13 37.008 0.3 . 1 . . . . 7 LYS CB . 26877 1 33 . 1 1 9 9 LYS N N 15 121.864 0.3 . 1 . . . . 7 LYS N . 26877 1 34 . 1 1 10 10 LEU H H 1 7.515 0.020 . 1 . . . . 8 LEU H . 26877 1 35 . 1 1 10 10 LEU C C 13 171.660 0.3 . 1 . . . . 8 LEU C . 26877 1 36 . 1 1 10 10 LEU CA C 13 53.219 0.3 . 1 . . . . 8 LEU CA . 26877 1 37 . 1 1 10 10 LEU CB C 13 45.875 0.3 . 1 . . . . 8 LEU CB . 26877 1 38 . 1 1 10 10 LEU N N 15 122.700 0.3 . 1 . . . . 8 LEU N . 26877 1 39 . 1 1 11 11 LEU H H 1 8.890 0.020 . 1 . . . . 9 LEU H . 26877 1 40 . 1 1 11 11 LEU C C 13 173.410 0.3 . 1 . . . . 9 LEU C . 26877 1 41 . 1 1 11 11 LEU CA C 13 52.884 0.3 . 1 . . . . 9 LEU CA . 26877 1 42 . 1 1 11 11 LEU CB C 13 45.563 0.3 . 1 . . . . 9 LEU CB . 26877 1 43 . 1 1 11 11 LEU N N 15 128.977 0.3 . 1 . . . . 9 LEU N . 26877 1 44 . 1 1 12 12 VAL H H 1 9.223 0.020 . 1 . . . . 10 VAL H . 26877 1 45 . 1 1 12 12 VAL C C 13 174.353 0.3 . 1 . . . . 10 VAL C . 26877 1 46 . 1 1 12 12 VAL CA C 13 58.880 0.3 . 1 . . . . 10 VAL CA . 26877 1 47 . 1 1 12 12 VAL CB C 13 35.250 0.3 . 1 . . . . 10 VAL CB . 26877 1 48 . 1 1 12 12 VAL N N 15 126.501 0.3 . 1 . . . . 10 VAL N . 26877 1 49 . 1 1 13 13 GLY H H 1 8.715 0.020 . 1 . . . . 11 GLY H . 26877 1 50 . 1 1 13 13 GLY C C 13 170.943 0.3 . 1 . . . . 11 GLY C . 26877 1 51 . 1 1 13 13 GLY CA C 13 45.172 0.3 . 1 . . . . 11 GLY CA . 26877 1 52 . 1 1 13 13 GLY N N 15 115.632 0.3 . 1 . . . . 11 GLY N . 26877 1 53 . 1 1 14 14 LEU H H 1 7.296 0.020 . 1 . . . . 12 LEU H . 26877 1 54 . 1 1 14 14 LEU C C 13 176.498 0.3 . 1 . . . . 12 LEU C . 26877 1 55 . 1 1 14 14 LEU CA C 13 55.749 0.3 . 1 . . . . 12 LEU CA . 26877 1 56 . 1 1 14 14 LEU CB C 13 40.402 0.3 . 1 . . . . 12 LEU CB . 26877 1 57 . 1 1 14 14 LEU N N 15 119.369 0.3 . 1 . . . . 12 LEU N . 26877 1 58 . 1 1 15 15 ALA H H 1 8.582 0.020 . 1 . . . . 13 ALA H . 26877 1 59 . 1 1 15 15 ALA C C 13 177.295 0.3 . 1 . . . . 13 ALA C . 26877 1 60 . 1 1 15 15 ALA CA C 13 52.774 0.3 . 1 . . . . 13 ALA CA . 26877 1 61 . 1 1 15 15 ALA CB C 13 25.511 0.3 . 1 . . . . 13 ALA CB . 26877 1 62 . 1 1 15 15 ALA N N 15 122.192 0.3 . 1 . . . . 13 ALA N . 26877 1 63 . 1 1 16 16 ASN H H 1 8.901 0.020 . 1 . . . . 14 ASN H . 26877 1 64 . 1 1 16 16 ASN C C 13 173.431 0.3 . 1 . . . . 14 ASN C . 26877 1 65 . 1 1 16 16 ASN CA C 13 51.052 0.3 . 1 . . . . 14 ASN CA . 26877 1 66 . 1 1 16 16 ASN CB C 13 40.484 0.3 . 1 . . . . 14 ASN CB . 26877 1 67 . 1 1 16 16 ASN N N 15 117.021 0.3 . 1 . . . . 14 ASN N . 26877 1 68 . 1 1 19 19 PRO C C 13 179.073 0.3 . 1 . . . . 17 PRO C . 26877 1 69 . 1 1 19 19 PRO CA C 13 65.172 0.3 . 1 . . . . 17 PRO CA . 26877 1 70 . 1 1 19 19 PRO CB C 13 31.874 0.3 . 1 . . . . 17 PRO CB . 26877 1 71 . 1 1 20 20 GLU H H 1 9.692 0.020 . 1 . . . . 18 GLU H . 26877 1 72 . 1 1 20 20 GLU C C 13 177.807 0.3 . 1 . . . . 18 GLU C . 26877 1 73 . 1 1 20 20 GLU CA C 13 58.796 0.3 . 1 . . . . 18 GLU CA . 26877 1 74 . 1 1 20 20 GLU CB C 13 28.358 0.3 . 1 . . . . 18 GLU CB . 26877 1 75 . 1 1 20 20 GLU N N 15 118.633 0.3 . 1 . . . . 18 GLU N . 26877 1 76 . 1 1 21 21 TYR H H 1 7.222 0.020 . 1 . . . . 19 TYR H . 26877 1 77 . 1 1 21 21 TYR C C 13 177.549 0.3 . 1 . . . . 19 TYR C . 26877 1 78 . 1 1 21 21 TYR CA C 13 58.332 0.3 . 1 . . . . 19 TYR CA . 26877 1 79 . 1 1 21 21 TYR CB C 13 39.701 0.3 . 1 . . . . 19 TYR CB . 26877 1 80 . 1 1 21 21 TYR N N 15 115.327 0.3 . 1 . . . . 19 TYR N . 26877 1 81 . 1 1 22 22 ALA H H 1 7.212 0.020 . 1 . . . . 20 ALA H . 26877 1 82 . 1 1 22 22 ALA C C 13 178.131 0.3 . 1 . . . . 20 ALA C . 26877 1 83 . 1 1 22 22 ALA CA C 13 56.059 0.3 . 1 . . . . 20 ALA CA . 26877 1 84 . 1 1 22 22 ALA CB C 13 19.708 0.3 . 1 . . . . 20 ALA CB . 26877 1 85 . 1 1 22 22 ALA N N 15 124.248 0.3 . 1 . . . . 20 ALA N . 26877 1 86 . 1 1 23 23 LYS H H 1 8.876 0.020 . 1 . . . . 21 LYS H . 26877 1 87 . 1 1 23 23 LYS C C 13 176.386 0.3 . 1 . . . . 21 LYS C . 26877 1 88 . 1 1 23 23 LYS CA C 13 54.414 0.3 . 1 . . . . 21 LYS CA . 26877 1 89 . 1 1 23 23 LYS CB C 13 32.109 0.3 . 1 . . . . 21 LYS CB . 26877 1 90 . 1 1 23 23 LYS N N 15 114.757 0.3 . 1 . . . . 21 LYS N . 26877 1 91 . 1 1 24 24 THR H H 1 7.891 0.020 . 1 . . . . 22 THR H . 26877 1 92 . 1 1 24 24 THR C C 13 175.332 0.3 . 1 . . . . 22 THR C . 26877 1 93 . 1 1 24 24 THR CA C 13 61.306 0.3 . 1 . . . . 22 THR CA . 26877 1 94 . 1 1 24 24 THR CB C 13 72.109 0.3 . 1 . . . . 22 THR CB . 26877 1 95 . 1 1 24 24 THR N N 15 111.200 0.3 . 1 . . . . 22 THR N . 26877 1 96 . 1 1 25 25 ARG H H 1 8.227 0.020 . 1 . . . . 23 ARG H . 26877 1 97 . 1 1 25 25 ARG C C 13 177.142 0.3 . 1 . . . . 23 ARG C . 26877 1 98 . 1 1 25 25 ARG CA C 13 60.993 0.3 . 1 . . . . 23 ARG CA . 26877 1 99 . 1 1 25 25 ARG CB C 13 31.874 0.3 . 1 . . . . 23 ARG CB . 26877 1 100 . 1 1 25 25 ARG N N 15 119.712 0.3 . 1 . . . . 23 ARG N . 26877 1 101 . 1 1 26 26 HIS H H 1 8.281 0.020 . 1 . . . . 24 HIS H . 26877 1 102 . 1 1 26 26 HIS C C 13 172.969 0.3 . 1 . . . . 24 HIS C . 26877 1 103 . 1 1 26 26 HIS CA C 13 53.393 0.3 . 1 . . . . 24 HIS CA . 26877 1 104 . 1 1 26 26 HIS CB C 13 28.823 0.3 . 1 . . . . 24 HIS CB . 26877 1 105 . 1 1 26 26 HIS N N 15 114.521 0.3 . 1 . . . . 24 HIS N . 26877 1 106 . 1 1 27 27 ASN H H 1 7.648 0.020 . 1 . . . . 25 ASN H . 26877 1 107 . 1 1 27 27 ASN C C 13 175.150 0.3 . 1 . . . . 25 ASN C . 26877 1 108 . 1 1 27 27 ASN CA C 13 52.148 0.3 . 1 . . . . 25 ASN CA . 26877 1 109 . 1 1 27 27 ASN CB C 13 38.214 0.3 . 1 . . . . 25 ASN CB . 26877 1 110 . 1 1 27 27 ASN N N 15 116.121 0.3 . 1 . . . . 25 ASN N . 26877 1 111 . 1 1 28 28 ALA H H 1 7.110 0.020 . 1 . . . . 26 ALA H . 26877 1 112 . 1 1 28 28 ALA C C 13 178.349 0.3 . 1 . . . . 26 ALA C . 26877 1 113 . 1 1 28 28 ALA CA C 13 54.496 0.3 . 1 . . . . 26 ALA CA . 26877 1 114 . 1 1 28 28 ALA CB C 13 18.410 0.3 . 1 . . . . 26 ALA CB . 26877 1 115 . 1 1 28 28 ALA N N 15 120.702 0.3 . 1 . . . . 26 ALA N . 26877 1 116 . 1 1 29 29 GLY H H 1 8.934 0.020 . 1 . . . . 27 GLY H . 26877 1 117 . 1 1 29 29 GLY C C 13 176.350 0.3 . 1 . . . . 27 GLY C . 26877 1 118 . 1 1 29 29 GLY CA C 13 46.981 0.3 . 1 . . . . 27 GLY CA . 26877 1 119 . 1 1 29 29 GLY N N 15 100.449 0.3 . 1 . . . . 27 GLY N . 26877 1 120 . 1 1 30 30 ALA H H 1 7.058 0.020 . 1 . . . . 28 ALA H . 26877 1 121 . 1 1 30 30 ALA C C 13 179.222 0.3 . 1 . . . . 28 ALA C . 26877 1 122 . 1 1 30 30 ALA CA C 13 55.592 0.3 . 1 . . . . 28 ALA CA . 26877 1 123 . 1 1 30 30 ALA CB C 13 18.332 0.3 . 1 . . . . 28 ALA CB . 26877 1 124 . 1 1 30 30 ALA N N 15 123.233 0.3 . 1 . . . . 28 ALA N . 26877 1 125 . 1 1 31 31 TRP H H 1 7.624 0.020 . 1 . . . . 29 TRP H . 26877 1 126 . 1 1 31 31 TRP C C 13 179.973 0.3 . 1 . . . . 29 TRP C . 26877 1 127 . 1 1 31 31 TRP CA C 13 57.862 0.3 . 1 . . . . 29 TRP CA . 26877 1 128 . 1 1 31 31 TRP CB C 13 29.056 0.3 . 1 . . . . 29 TRP CB . 26877 1 129 . 1 1 31 31 TRP N N 15 118.086 0.3 . 1 . . . . 29 TRP N . 26877 1 130 . 1 1 32 32 VAL H H 1 7.223 0.020 . 1 . . . . 30 VAL H . 26877 1 131 . 1 1 32 32 VAL C C 13 176.542 0.3 . 1 . . . . 30 VAL C . 26877 1 132 . 1 1 32 32 VAL CA C 13 66.160 0.3 . 1 . . . . 30 VAL CA . 26877 1 133 . 1 1 32 32 VAL CB C 13 32.030 0.3 . 1 . . . . 30 VAL CB . 26877 1 134 . 1 1 32 32 VAL N N 15 116.204 0.3 . 1 . . . . 30 VAL N . 26877 1 135 . 1 1 33 33 VAL H H 1 6.881 0.020 . 1 . . . . 31 VAL H . 26877 1 136 . 1 1 33 33 VAL C C 13 176.895 0.3 . 1 . . . . 31 VAL C . 26877 1 137 . 1 1 33 33 VAL CA C 13 67.647 0.3 . 1 . . . . 31 VAL CA . 26877 1 138 . 1 1 33 33 VAL CB C 13 31.639 0.3 . 1 . . . . 31 VAL CB . 26877 1 139 . 1 1 33 33 VAL N N 15 118.636 0.3 . 1 . . . . 31 VAL N . 26877 1 140 . 1 1 34 34 GLU H H 1 9.037 0.020 . 1 . . . . 32 GLU H . 26877 1 141 . 1 1 34 34 GLU C C 13 179.715 0.3 . 1 . . . . 32 GLU C . 26877 1 142 . 1 1 34 34 GLU CA C 13 60.054 0.3 . 1 . . . . 32 GLU CA . 26877 1 143 . 1 1 34 34 GLU CB C 13 30.073 0.3 . 1 . . . . 32 GLU CB . 26877 1 144 . 1 1 34 34 GLU N N 15 117.904 0.3 . 1 . . . . 32 GLU N . 26877 1 145 . 1 1 35 35 GLU H H 1 7.953 0.020 . 1 . . . . 33 GLU H . 26877 1 146 . 1 1 35 35 GLU C C 13 177.549 0.3 . 1 . . . . 33 GLU C . 26877 1 147 . 1 1 35 35 GLU CA C 13 59.002 0.3 . 1 . . . . 33 GLU CA . 26877 1 148 . 1 1 35 35 GLU CB C 13 28.796 0.3 . 1 . . . . 33 GLU CB . 26877 1 149 . 1 1 35 35 GLU N N 15 120.146 0.3 . 1 . . . . 33 GLU N . 26877 1 150 . 1 1 36 36 LEU H H 1 8.271 0.020 . 1 . . . . 34 LEU H . 26877 1 151 . 1 1 36 36 LEU C C 13 178.429 0.3 . 1 . . . . 34 LEU C . 26877 1 152 . 1 1 36 36 LEU CA C 13 58.422 0.3 . 1 . . . . 34 LEU CA . 26877 1 153 . 1 1 36 36 LEU CB C 13 42.441 0.3 . 1 . . . . 34 LEU CB . 26877 1 154 . 1 1 36 36 LEU N N 15 120.997 0.3 . 1 . . . . 34 LEU N . 26877 1 155 . 1 1 37 37 ALA H H 1 8.425 0.020 . 1 . . . . 35 ALA H . 26877 1 156 . 1 1 37 37 ALA C C 13 178.858 0.3 . 1 . . . . 35 ALA C . 26877 1 157 . 1 1 37 37 ALA CA C 13 55.670 0.3 . 1 . . . . 35 ALA CA . 26877 1 158 . 1 1 37 37 ALA CB C 13 17.157 0.3 . 1 . . . . 35 ALA CB . 26877 1 159 . 1 1 37 37 ALA N N 15 118.371 0.3 . 1 . . . . 35 ALA N . 26877 1 160 . 1 1 38 38 ARG H H 1 8.023 0.020 . 1 . . . . 36 ARG H . 26877 1 161 . 1 1 38 38 ARG C C 13 181.330 0.3 . 1 . . . . 36 ARG C . 26877 1 162 . 1 1 38 38 ARG CA C 13 59.819 0.3 . 1 . . . . 36 ARG CA . 26877 1 163 . 1 1 38 38 ARG CB C 13 30.438 0.3 . 1 . . . . 36 ARG CB . 26877 1 164 . 1 1 38 38 ARG N N 15 119.064 0.3 . 1 . . . . 36 ARG N . 26877 1 165 . 1 1 39 39 ILE H H 1 8.385 0.020 . 1 . . . . 37 ILE H . 26877 1 166 . 1 1 39 39 ILE C C 13 177.331 0.3 . 1 . . . . 37 ILE C . 26877 1 167 . 1 1 39 39 ILE CA C 13 64.359 0.3 . 1 . . . . 37 ILE CA . 26877 1 168 . 1 1 39 39 ILE CB C 13 38.214 0.3 . 1 . . . . 37 ILE CB . 26877 1 169 . 1 1 39 39 ILE N N 15 118.916 0.3 . 1 . . . . 37 ILE N . 26877 1 170 . 1 1 40 40 HIS H H 1 7.433 0.020 . 1 . . . . 38 HIS H . 26877 1 171 . 1 1 40 40 HIS C C 13 173.042 0.3 . 1 . . . . 38 HIS C . 26877 1 172 . 1 1 40 40 HIS CA C 13 56.935 0.3 . 1 . . . . 38 HIS CA . 26877 1 173 . 1 1 40 40 HIS CB C 13 29.781 0.3 . 1 . . . . 38 HIS CB . 26877 1 174 . 1 1 40 40 HIS N N 15 116.380 0.3 . 1 . . . . 38 HIS N . 26877 1 175 . 1 1 41 41 ASN H H 1 7.911 0.020 . 1 . . . . 39 ASN H . 26877 1 176 . 1 1 41 41 ASN C C 13 174.096 0.3 . 1 . . . . 39 ASN C . 26877 1 177 . 1 1 41 41 ASN CA C 13 54.653 0.3 . 1 . . . . 39 ASN CA . 26877 1 178 . 1 1 41 41 ASN CB C 13 37.353 0.3 . 1 . . . . 39 ASN CB . 26877 1 179 . 1 1 41 41 ASN N N 15 117.157 0.3 . 1 . . . . 39 ASN N . 26877 1 180 . 1 1 42 42 VAL H H 1 8.557 0.020 . 1 . . . . 40 VAL H . 26877 1 181 . 1 1 42 42 VAL C C 13 175.361 0.3 . 1 . . . . 40 VAL C . 26877 1 182 . 1 1 42 42 VAL CA C 13 61.776 0.3 . 1 . . . . 40 VAL CA . 26877 1 183 . 1 1 42 42 VAL CB C 13 34.222 0.3 . 1 . . . . 40 VAL CB . 26877 1 184 . 1 1 42 42 VAL N N 15 120.061 0.3 . 1 . . . . 40 VAL N . 26877 1 185 . 1 1 43 43 THR H H 1 8.585 0.020 . 1 . . . . 41 THR H . 26877 1 186 . 1 1 43 43 THR C C 13 174.033 0.3 . 1 . . . . 41 THR C . 26877 1 187 . 1 1 43 43 THR CA C 13 61.776 0.3 . 1 . . . . 41 THR CA . 26877 1 188 . 1 1 43 43 THR CB C 13 69.525 0.3 . 1 . . . . 41 THR CB . 26877 1 189 . 1 1 43 43 THR N N 15 124.156 0.3 . 1 . . . . 41 THR N . 26877 1 190 . 1 1 44 44 LEU H H 1 8.756 0.020 . 1 . . . . 42 LEU H . 26877 1 191 . 1 1 44 44 LEU C C 13 175.919 0.3 . 1 . . . . 42 LEU C . 26877 1 192 . 1 1 44 44 LEU CA C 13 54.809 0.3 . 1 . . . . 42 LEU CA . 26877 1 193 . 1 1 44 44 LEU CB C 13 41.893 0.3 . 1 . . . . 42 LEU CB . 26877 1 194 . 1 1 44 44 LEU N N 15 128.629 0.3 . 1 . . . . 42 LEU N . 26877 1 195 . 1 1 45 45 LYS H H 1 8.722 0.020 . 1 . . . . 43 LYS H . 26877 1 196 . 1 1 45 45 LYS C C 13 175.619 0.3 . 1 . . . . 43 LYS C . 26877 1 197 . 1 1 45 45 LYS CA C 13 54.496 0.3 . 1 . . . . 43 LYS CA . 26877 1 198 . 1 1 45 45 LYS CB C 13 35.944 0.3 . 1 . . . . 43 LYS CB . 26877 1 199 . 1 1 45 45 LYS N N 15 122.493 0.3 . 1 . . . . 43 LYS N . 26877 1 200 . 1 1 46 46 ASN H H 1 8.887 0.020 . 1 . . . . 44 ASN H . 26877 1 201 . 1 1 46 46 ASN C C 13 174.718 0.3 . 1 . . . . 44 ASN C . 26877 1 202 . 1 1 46 46 ASN CA C 13 54.484 0.3 . 1 . . . . 44 ASN CA . 26877 1 203 . 1 1 46 46 ASN CB C 13 38.840 0.3 . 1 . . . . 44 ASN CB . 26877 1 204 . 1 1 46 46 ASN N N 15 123.102 0.3 . 1 . . . . 44 ASN N . 26877 1 205 . 1 1 47 47 GLU H H 1 8.664 0.020 . 1 . . . . 45 GLU H . 26877 1 206 . 1 1 47 47 GLU C C 13 173.731 0.3 . 1 . . . . 45 GLU C . 26877 1 207 . 1 1 47 47 GLU CA C 13 53.244 0.3 . 1 . . . . 45 GLU CA . 26877 1 208 . 1 1 47 47 GLU CB C 13 31.639 0.3 . 1 . . . . 45 GLU CB . 26877 1 209 . 1 1 47 47 GLU N N 15 129.122 0.3 . 1 . . . . 45 GLU N . 26877 1 210 . 1 1 48 48 PRO C C 13 175.298 0.3 . 1 . . . . 46 PRO C . 26877 1 211 . 1 1 48 48 PRO CA C 13 64.985 0.3 . 1 . . . . 46 PRO CA . 26877 1 212 . 1 1 48 48 PRO CB C 13 32.030 0.3 . 1 . . . . 46 PRO CB . 26877 1 213 . 1 1 49 49 LYS H H 1 8.210 0.020 . 1 . . . . 47 LYS H . 26877 1 214 . 1 1 49 49 LYS C C 13 174.932 0.3 . 1 . . . . 47 LYS C . 26877 1 215 . 1 1 49 49 LYS CA C 13 57.862 0.3 . 1 . . . . 47 LYS CA . 26877 1 216 . 1 1 49 49 LYS CB C 13 31.561 0.3 . 1 . . . . 47 LYS CB . 26877 1 217 . 1 1 49 49 LYS N N 15 116.055 0.3 . 1 . . . . 47 LYS N . 26877 1 218 . 1 1 50 50 PHE H H 1 7.380 0.020 . 1 . . . . 48 PHE H . 26877 1 219 . 1 1 50 50 PHE C C 13 172.810 0.3 . 1 . . . . 48 PHE C . 26877 1 220 . 1 1 50 50 PHE CA C 13 53.870 0.3 . 1 . . . . 48 PHE CA . 26877 1 221 . 1 1 50 50 PHE CB C 13 39.701 0.3 . 1 . . . . 48 PHE CB . 26877 1 222 . 1 1 50 50 PHE N N 15 114.879 0.3 . 1 . . . . 48 PHE N . 26877 1 223 . 1 1 51 51 PHE H H 1 6.897 0.020 . 1 . . . . 49 PHE H . 26877 1 224 . 1 1 51 51 PHE C C 13 175.298 0.3 . 1 . . . . 49 PHE C . 26877 1 225 . 1 1 51 51 PHE CA C 13 58.019 0.3 . 1 . . . . 49 PHE CA . 26877 1 226 . 1 1 51 51 PHE CB C 13 36.431 0.3 . 1 . . . . 49 PHE CB . 26877 1 227 . 1 1 51 51 PHE N N 15 110.556 0.3 . 1 . . . . 49 PHE N . 26877 1 228 . 1 1 52 52 GLY H H 1 6.820 0.020 . 1 . . . . 50 GLY H . 26877 1 229 . 1 1 52 52 GLY C C 13 170.643 0.3 . 1 . . . . 50 GLY C . 26877 1 230 . 1 1 52 52 GLY CA C 13 47.138 0.3 . 1 . . . . 50 GLY CA . 26877 1 231 . 1 1 52 52 GLY N N 15 137.036 0.3 . 1 . . . . 50 GLY N . 26877 1 232 . 1 1 53 53 LEU H H 1 8.669 0.020 . 1 . . . . 51 LEU H . 26877 1 233 . 1 1 53 53 LEU C C 13 177.164 0.3 . 1 . . . . 51 LEU C . 26877 1 234 . 1 1 53 53 LEU CA C 13 53.087 0.3 . 1 . . . . 51 LEU CA . 26877 1 235 . 1 1 53 53 LEU CB C 13 44.163 0.3 . 1 . . . . 51 LEU CB . 26877 1 236 . 1 1 53 53 LEU N N 15 119.509 0.3 . 1 . . . . 51 LEU N . 26877 1 237 . 1 1 54 54 THR H H 1 9.205 0.020 . 1 . . . . 52 THR H . 26877 1 238 . 1 1 54 54 THR C C 13 173.732 0.3 . 1 . . . . 52 THR C . 26877 1 239 . 1 1 54 54 THR CA C 13 59.036 0.3 . 1 . . . . 52 THR CA . 26877 1 240 . 1 1 54 54 THR CB C 13 72.578 0.3 . 1 . . . . 52 THR CB . 26877 1 241 . 1 1 54 54 THR N N 15 112.673 0.3 . 1 . . . . 52 THR N . 26877 1 242 . 1 1 55 55 GLY H H 1 7.847 0.020 . 1 . . . . 53 GLY H . 26877 1 243 . 1 1 55 55 GLY C C 13 171.545 0.3 . 1 . . . . 53 GLY C . 26877 1 244 . 1 1 55 55 GLY CA C 13 45.024 0.3 . 1 . . . . 53 GLY CA . 26877 1 245 . 1 1 55 55 GLY N N 15 106.023 0.3 . 1 . . . . 53 GLY N . 26877 1 246 . 1 1 56 56 ARG H H 1 8.584 0.020 . 1 . . . . 54 ARG H . 26877 1 247 . 1 1 56 56 ARG C C 13 172.678 0.3 . 1 . . . . 54 ARG C . 26877 1 248 . 1 1 56 56 ARG CA C 13 55.749 0.3 . 1 . . . . 54 ARG CA . 26877 1 249 . 1 1 56 56 ARG CB C 13 32.813 0.3 . 1 . . . . 54 ARG CB . 26877 1 250 . 1 1 56 56 ARG N N 15 122.371 0.3 . 1 . . . . 54 ARG N . 26877 1 251 . 1 1 57 57 LEU H H 1 8.951 0.020 . 1 . . . . 55 LEU H . 26877 1 252 . 1 1 57 57 LEU C C 13 174.011 0.3 . 1 . . . . 55 LEU C . 26877 1 253 . 1 1 57 57 LEU CA C 13 54.105 0.3 . 1 . . . . 55 LEU CA . 26877 1 254 . 1 1 57 57 LEU CB C 13 44.242 0.3 . 1 . . . . 55 LEU CB . 26877 1 255 . 1 1 57 57 LEU N N 15 125.453 0.3 . 1 . . . . 55 LEU N . 26877 1 256 . 1 1 58 58 LEU H H 1 8.391 0.020 . 1 . . . . 56 LEU H . 26877 1 257 . 1 1 58 58 LEU C C 13 176.263 0.3 . 1 . . . . 56 LEU C . 26877 1 258 . 1 1 58 58 LEU CA C 13 53.688 0.3 . 1 . . . . 56 LEU CA . 26877 1 259 . 1 1 58 58 LEU CB C 13 43.694 0.3 . 1 . . . . 56 LEU CB . 26877 1 260 . 1 1 58 58 LEU N N 15 123.663 0.3 . 1 . . . . 56 LEU N . 26877 1 261 . 1 1 59 59 ILE H H 1 8.593 0.020 . 1 . . . . 57 ILE H . 26877 1 262 . 1 1 59 59 ILE C C 13 175.629 0.3 . 1 . . . . 57 ILE C . 26877 1 263 . 1 1 59 59 ILE CA C 13 60.132 0.3 . 1 . . . . 57 ILE CA . 26877 1 264 . 1 1 59 59 ILE CB C 13 40.484 0.3 . 1 . . . . 57 ILE CB . 26877 1 265 . 1 1 59 59 ILE N N 15 124.022 0.3 . 1 . . . . 57 ILE N . 26877 1 266 . 1 1 60 60 ASN H H 1 9.463 0.020 . 1 . . . . 58 ASN H . 26877 1 267 . 1 1 60 60 ASN C C 13 174.968 0.3 . 1 . . . . 58 ASN C . 26877 1 268 . 1 1 60 60 ASN CA C 13 54.766 0.3 . 1 . . . . 58 ASN CA . 26877 1 269 . 1 1 60 60 ASN CB C 13 37.745 0.3 . 1 . . . . 58 ASN CB . 26877 1 270 . 1 1 60 60 ASN N N 15 127.595 0.3 . 1 . . . . 58 ASN N . 26877 1 271 . 1 1 61 61 SER H H 1 8.643 0.020 . 1 . . . . 59 SER H . 26877 1 272 . 1 1 61 61 SER C C 13 172.605 0.3 . 1 . . . . 59 SER C . 26877 1 273 . 1 1 61 61 SER CA C 13 60.445 0.3 . 1 . . . . 59 SER CA . 26877 1 274 . 1 1 61 61 SER CB C 13 62.246 0.3 . 1 . . . . 59 SER CB . 26877 1 275 . 1 1 61 61 SER N N 15 107.063 0.3 . 1 . . . . 59 SER N . 26877 1 276 . 1 1 62 62 GLN H H 1 7.904 0.020 . 1 . . . . 60 GLN H . 26877 1 277 . 1 1 62 62 GLN C C 13 174.205 0.3 . 1 . . . . 60 GLN C . 26877 1 278 . 1 1 62 62 GLN CA C 13 54.183 0.3 . 1 . . . . 60 GLN CA . 26877 1 279 . 1 1 62 62 GLN CB C 13 31.169 0.3 . 1 . . . . 60 GLN CB . 26877 1 280 . 1 1 62 62 GLN N N 15 120.997 0.3 . 1 . . . . 60 GLN N . 26877 1 281 . 1 1 63 63 GLU H H 1 8.597 0.020 . 1 . . . . 61 GLU H . 26877 1 282 . 1 1 63 63 GLU C C 13 174.896 0.3 . 1 . . . . 61 GLU C . 26877 1 283 . 1 1 63 63 GLU CA C 13 55.827 0.3 . 1 . . . . 61 GLU CA . 26877 1 284 . 1 1 63 63 GLU CB C 13 31.639 0.3 . 1 . . . . 61 GLU CB . 26877 1 285 . 1 1 63 63 GLU N N 15 122.655 0.3 . 1 . . . . 61 GLU N . 26877 1 286 . 1 1 64 64 LEU H H 1 9.118 0.020 . 1 . . . . 62 LEU H . 26877 1 287 . 1 1 64 64 LEU C C 13 175.276 0.3 . 1 . . . . 62 LEU C . 26877 1 288 . 1 1 64 64 LEU CA C 13 53.713 0.3 . 1 . . . . 62 LEU CA . 26877 1 289 . 1 1 64 64 LEU CB C 13 45.416 0.3 . 1 . . . . 62 LEU CB . 26877 1 290 . 1 1 64 64 LEU N N 15 129.560 0.3 . 1 . . . . 62 LEU N . 26877 1 291 . 1 1 65 65 ARG H H 1 7.778 0.020 . 1 . . . . 63 ARG H . 26877 1 292 . 1 1 65 65 ARG C C 13 174.998 0.3 . 1 . . . . 63 ARG C . 26877 1 293 . 1 1 65 65 ARG CA C 13 55.983 0.3 . 1 . . . . 63 ARG CA . 26877 1 294 . 1 1 65 65 ARG CB C 13 31.013 0.3 . 1 . . . . 63 ARG CB . 26877 1 295 . 1 1 65 65 ARG N N 15 125.601 0.3 . 1 . . . . 63 ARG N . 26877 1 296 . 1 1 66 66 VAL H H 1 8.182 0.020 . 1 . . . . 64 VAL H . 26877 1 297 . 1 1 66 66 VAL C C 13 174.353 0.3 . 1 . . . . 64 VAL C . 26877 1 298 . 1 1 66 66 VAL CA C 13 57.784 0.3 . 1 . . . . 64 VAL CA . 26877 1 299 . 1 1 66 66 VAL CB C 13 34.927 0.3 . 1 . . . . 64 VAL CB . 26877 1 300 . 1 1 66 66 VAL N N 15 112.853 0.3 . 1 . . . . 64 VAL N . 26877 1 301 . 1 1 67 67 LEU H H 1 8.147 0.020 . 1 . . . . 65 LEU H . 26877 1 302 . 1 1 67 67 LEU C C 13 174.459 0.3 . 1 . . . . 65 LEU C . 26877 1 303 . 1 1 67 67 LEU CA C 13 53.557 0.3 . 1 . . . . 65 LEU CA . 26877 1 304 . 1 1 67 67 LEU CB C 13 47.686 0.3 . 1 . . . . 65 LEU CB . 26877 1 305 . 1 1 67 67 LEU N N 15 122.354 0.3 . 1 . . . . 65 LEU N . 26877 1 306 . 1 1 68 68 ILE H H 1 9.108 0.020 . 1 . . . . 66 ILE H . 26877 1 307 . 1 1 68 68 ILE C C 13 173.660 0.3 . 1 . . . . 66 ILE C . 26877 1 308 . 1 1 68 68 ILE CA C 13 58.567 0.3 . 1 . . . . 66 ILE CA . 26877 1 309 . 1 1 68 68 ILE CB C 13 41.815 0.3 . 1 . . . . 66 ILE CB . 26877 1 310 . 1 1 68 68 ILE N N 15 126.983 0.3 . 1 . . . . 66 ILE N . 26877 1 311 . 1 1 69 69 PRO C C 13 177.549 0.3 . 1 . . . . 67 PRO C . 26877 1 312 . 1 1 69 69 PRO CA C 13 63.203 0.3 . 1 . . . . 67 PRO CA . 26877 1 313 . 1 1 69 69 PRO CB C 13 33.109 0.3 . 1 . . . . 67 PRO CB . 26877 1 314 . 1 1 70 70 THR H H 1 9.643 0.020 . 1 . . . . 68 THR H . 26877 1 315 . 1 1 70 70 THR C C 13 174.054 0.3 . 1 . . . . 68 THR C . 26877 1 316 . 1 1 70 70 THR CA C 13 60.445 0.3 . 1 . . . . 68 THR CA . 26877 1 317 . 1 1 70 70 THR CB C 13 67.177 0.3 . 1 . . . . 68 THR CB . 26877 1 318 . 1 1 70 70 THR N N 15 115.272 0.3 . 1 . . . . 68 THR N . 26877 1 319 . 1 1 71 71 THR H H 1 7.038 0.020 . 1 . . . . 69 THR H . 26877 1 320 . 1 1 71 71 THR C C 13 177.184 0.3 . 1 . . . . 69 THR C . 26877 1 321 . 1 1 71 71 THR CA C 13 62.011 0.3 . 1 . . . . 69 THR CA . 26877 1 322 . 1 1 71 71 THR CB C 13 71.013 0.3 . 1 . . . . 69 THR CB . 26877 1 323 . 1 1 71 71 THR N N 15 111.066 0.3 . 1 . . . . 69 THR N . 26877 1 324 . 1 1 72 72 PHE H H 1 8.043 0.020 . 1 . . . . 70 PHE H . 26877 1 325 . 1 1 72 72 PHE C C 13 178.822 0.3 . 1 . . . . 70 PHE C . 26877 1 326 . 1 1 72 72 PHE CA C 13 62.559 0.3 . 1 . . . . 70 PHE CA . 26877 1 327 . 1 1 72 72 PHE CB C 13 38.371 0.3 . 1 . . . . 70 PHE CB . 26877 1 328 . 1 1 72 72 PHE N N 15 112.056 0.3 . 1 . . . . 70 PHE N . 26877 1 329 . 1 1 73 73 MET H H 1 8.573 0.020 . 1 . . . . 71 MET H . 26877 1 330 . 1 1 73 73 MET C C 13 179.258 0.3 . 1 . . . . 71 MET C . 26877 1 331 . 1 1 73 73 MET CA C 13 58.488 0.3 . 1 . . . . 71 MET CA . 26877 1 332 . 1 1 73 73 MET CB C 13 32.628 0.3 . 1 . . . . 71 MET CB . 26877 1 333 . 1 1 73 73 MET N N 15 121.849 0.3 . 1 . . . . 71 MET N . 26877 1 334 . 1 1 74 74 ASP H H 1 8.731 0.020 . 1 . . . . 72 ASP H . 26877 1 335 . 1 1 74 74 ASP C C 13 174.350 0.3 . 1 . . . . 72 ASP C . 26877 1 336 . 1 1 74 74 ASP CA C 13 56.278 0.3 . 1 . . . . 72 ASP CA . 26877 1 337 . 1 1 74 74 ASP CB C 13 40.183 0.3 . 1 . . . . 72 ASP CB . 26877 1 338 . 1 1 74 74 ASP N N 15 117.101 0.3 . 1 . . . . 72 ASP N . 26877 1 339 . 1 1 75 75 LEU H H 1 7.308 0.020 . 1 . . . . 73 LEU H . 26877 1 340 . 1 1 75 75 LEU C C 13 177.622 0.3 . 1 . . . . 73 LEU C . 26877 1 341 . 1 1 75 75 LEU CA C 13 53.870 0.3 . 1 . . . . 73 LEU CA . 26877 1 342 . 1 1 75 75 LEU CB C 13 43.537 0.3 . 1 . . . . 73 LEU CB . 26877 1 343 . 1 1 75 75 LEU N N 15 117.880 0.3 . 1 . . . . 73 LEU N . 26877 1 344 . 1 1 76 76 SER H H 1 7.492 0.020 . 1 . . . . 74 SER H . 26877 1 345 . 1 1 76 76 SER C C 13 175.640 0.3 . 1 . . . . 74 SER C . 26877 1 346 . 1 1 76 76 SER CA C 13 63.498 0.3 . 1 . . . . 74 SER CA . 26877 1 347 . 1 1 76 76 SER CB C 13 66.081 0.3 . 1 . . . . 74 SER CB . 26877 1 348 . 1 1 76 76 SER N N 15 114.188 0.3 . 1 . . . . 74 SER N . 26877 1 349 . 1 1 77 77 GLY H H 1 10.019 0.020 . 1 . . . . 75 GLY H . 26877 1 350 . 1 1 77 77 GLY C C 13 174.859 0.3 . 1 . . . . 75 GLY C . 26877 1 351 . 1 1 77 77 GLY CA C 13 47.999 0.3 . 1 . . . . 75 GLY CA . 26877 1 352 . 1 1 77 77 GLY N N 15 107.951 0.3 . 1 . . . . 75 GLY N . 26877 1 353 . 1 1 78 78 LYS H H 1 7.964 0.020 . 1 . . . . 76 LYS H . 26877 1 354 . 1 1 78 78 LYS C C 13 178.894 0.3 . 1 . . . . 76 LYS C . 26877 1 355 . 1 1 78 78 LYS CA C 13 59.271 0.3 . 1 . . . . 76 LYS CA . 26877 1 356 . 1 1 78 78 LYS CB C 13 32.813 0.3 . 1 . . . . 76 LYS CB . 26877 1 357 . 1 1 78 78 LYS N N 15 120.323 0.3 . 1 . . . . 76 LYS N . 26877 1 358 . 1 1 79 79 ALA H H 1 6.813 0.020 . 1 . . . . 77 ALA H . 26877 1 359 . 1 1 79 79 ALA C C 13 177.404 0.3 . 1 . . . . 77 ALA C . 26877 1 360 . 1 1 79 79 ALA CA C 13 54.966 0.3 . 1 . . . . 77 ALA CA . 26877 1 361 . 1 1 79 79 ALA CB C 13 20.758 0.3 . 1 . . . . 77 ALA CB . 26877 1 362 . 1 1 79 79 ALA N N 15 121.305 0.3 . 1 . . . . 77 ALA N . 26877 1 363 . 1 1 80 80 ILE H H 1 7.081 0.020 . 1 . . . . 78 ILE H . 26877 1 364 . 1 1 80 80 ILE C C 13 177.077 0.3 . 1 . . . . 78 ILE C . 26877 1 365 . 1 1 80 80 ILE CA C 13 65.846 0.3 . 1 . . . . 78 ILE CA . 26877 1 366 . 1 1 80 80 ILE CB C 13 39.154 0.3 . 1 . . . . 78 ILE CB . 26877 1 367 . 1 1 80 80 ILE N N 15 115.677 0.3 . 1 . . . . 78 ILE N . 26877 1 368 . 1 1 81 81 ALA H H 1 8.615 0.020 . 1 . . . . 79 ALA H . 26877 1 369 . 1 1 81 81 ALA C C 13 179.329 0.3 . 1 . . . . 79 ALA C . 26877 1 370 . 1 1 81 81 ALA CA C 13 55.044 0.3 . 1 . . . . 79 ALA CA . 26877 1 371 . 1 1 81 81 ALA CB C 13 18.008 0.3 . 1 . . . . 79 ALA CB . 26877 1 372 . 1 1 81 81 ALA N N 15 118.215 0.3 . 1 . . . . 79 ALA N . 26877 1 373 . 1 1 82 82 ALA H H 1 7.431 0.020 . 1 . . . . 80 ALA H . 26877 1 374 . 1 1 82 82 ALA C C 13 180.676 0.3 . 1 . . . . 80 ALA C . 26877 1 375 . 1 1 82 82 ALA CA C 13 55.592 0.3 . 1 . . . . 80 ALA CA . 26877 1 376 . 1 1 82 82 ALA CB C 13 18.723 0.3 . 1 . . . . 80 ALA CB . 26877 1 377 . 1 1 82 82 ALA N N 15 118.907 0.3 . 1 . . . . 80 ALA N . 26877 1 378 . 1 1 83 83 LEU H H 1 7.933 0.020 . 1 . . . . 81 LEU H . 26877 1 379 . 1 1 83 83 LEU C C 13 178.750 0.3 . 1 . . . . 81 LEU C . 26877 1 380 . 1 1 83 83 LEU CA C 13 59.271 0.3 . 1 . . . . 81 LEU CA . 26877 1 381 . 1 1 83 83 LEU CB C 13 42.598 0.3 . 1 . . . . 81 LEU CB . 26877 1 382 . 1 1 83 83 LEU N N 15 120.004 0.3 . 1 . . . . 81 LEU N . 26877 1 383 . 1 1 84 84 ALA H H 1 8.879 0.020 . 1 . . . . 82 ALA H . 26877 1 384 . 1 1 84 84 ALA C C 13 180.130 0.3 . 1 . . . . 82 ALA C . 26877 1 385 . 1 1 84 84 ALA CA C 13 56.140 0.3 . 1 . . . . 82 ALA CA . 26877 1 386 . 1 1 84 84 ALA CB C 13 17.236 0.3 . 1 . . . . 82 ALA CB . 26877 1 387 . 1 1 84 84 ALA N N 15 121.007 0.3 . 1 . . . . 82 ALA N . 26877 1 388 . 1 1 85 85 ASN H H 1 8.631 0.020 . 1 . . . . 83 ASN H . 26877 1 389 . 1 1 85 85 ASN C C 13 178.085 0.3 . 1 . . . . 83 ASN C . 26877 1 390 . 1 1 85 85 ASN CA C 13 55.827 0.3 . 1 . . . . 83 ASN CA . 26877 1 391 . 1 1 85 85 ASN CB C 13 38.371 0.3 . 1 . . . . 83 ASN CB . 26877 1 392 . 1 1 85 85 ASN N N 15 114.020 0.3 . 1 . . . . 83 ASN N . 26877 1 393 . 1 1 86 86 PHE H H 1 7.599 0.020 . 1 . . . . 84 PHE H . 26877 1 394 . 1 1 86 86 PHE C C 13 177.004 0.3 . 1 . . . . 84 PHE C . 26877 1 395 . 1 1 86 86 PHE CA C 13 62.089 0.3 . 1 . . . . 84 PHE CA . 26877 1 396 . 1 1 86 86 PHE CB C 13 40.406 0.3 . 1 . . . . 84 PHE CB . 26877 1 397 . 1 1 86 86 PHE N N 15 121.341 0.3 . 1 . . . . 84 PHE N . 26877 1 398 . 1 1 87 87 TYR H H 1 7.541 0.020 . 1 . . . . 85 TYR H . 26877 1 399 . 1 1 87 87 TYR C C 13 173.732 0.3 . 1 . . . . 85 TYR C . 26877 1 400 . 1 1 87 87 TYR CA C 13 59.193 0.3 . 1 . . . . 85 TYR CA . 26877 1 401 . 1 1 87 87 TYR CB C 13 38.919 0.3 . 1 . . . . 85 TYR CB . 26877 1 402 . 1 1 87 87 TYR N N 15 113.053 0.3 . 1 . . . . 85 TYR N . 26877 1 403 . 1 1 88 88 GLN H H 1 7.674 0.020 . 1 . . . . 86 GLN H . 26877 1 404 . 1 1 88 88 GLN C C 13 174.605 0.3 . 1 . . . . 86 GLN C . 26877 1 405 . 1 1 88 88 GLN CA C 13 57.236 0.3 . 1 . . . . 86 GLN CA . 26877 1 406 . 1 1 88 88 GLN CB C 13 25.846 0.3 . 1 . . . . 86 GLN CB . 26877 1 407 . 1 1 88 88 GLN N N 15 117.741 0.3 . 1 . . . . 86 GLN N . 26877 1 408 . 1 1 89 89 ILE H H 1 8.771 0.020 . 1 . . . . 87 ILE H . 26877 1 409 . 1 1 89 89 ILE C C 13 175.514 0.3 . 1 . . . . 87 ILE C . 26877 1 410 . 1 1 89 89 ILE CA C 13 61.619 0.3 . 1 . . . . 87 ILE CA . 26877 1 411 . 1 1 89 89 ILE CB C 13 40.484 0.3 . 1 . . . . 87 ILE CB . 26877 1 412 . 1 1 89 89 ILE N N 15 122.177 0.3 . 1 . . . . 87 ILE N . 26877 1 413 . 1 1 90 90 LYS H H 1 8.933 0.020 . 1 . . . . 88 LYS H . 26877 1 414 . 1 1 90 90 LYS C C 13 175.477 0.3 . 1 . . . . 88 LYS C . 26877 1 415 . 1 1 90 90 LYS CA C 13 54.887 0.3 . 1 . . . . 88 LYS CA . 26877 1 416 . 1 1 90 90 LYS CB C 13 31.639 0.3 . 1 . . . . 88 LYS CB . 26877 1 417 . 1 1 90 90 LYS N N 15 128.791 0.3 . 1 . . . . 88 LYS N . 26877 1 418 . 1 1 91 91 PRO C C 13 176.542 0.3 . 1 . . . . 89 PRO C . 26877 1 419 . 1 1 91 91 PRO CA C 13 66.297 0.3 . 1 . . . . 89 PRO CA . 26877 1 420 . 1 1 91 91 PRO CB C 13 31.703 0.3 . 1 . . . . 89 PRO CB . 26877 1 421 . 1 1 92 92 GLU H H 1 9.305 0.020 . 1 . . . . 90 GLU H . 26877 1 422 . 1 1 92 92 GLU C C 13 176.241 0.3 . 1 . . . . 90 GLU C . 26877 1 423 . 1 1 92 92 GLU CA C 13 59.036 0.3 . 1 . . . . 90 GLU CA . 26877 1 424 . 1 1 92 92 GLU CB C 13 28.508 0.3 . 1 . . . . 90 GLU CB . 26877 1 425 . 1 1 92 92 GLU N N 15 111.380 0.3 . 1 . . . . 90 GLU N . 26877 1 426 . 1 1 93 93 GLU H H 1 8.080 0.020 . 1 . . . . 91 GLU H . 26877 1 427 . 1 1 93 93 GLU C C 13 175.254 0.3 . 1 . . . . 91 GLU C . 26877 1 428 . 1 1 93 93 GLU CA C 13 54.653 0.3 . 1 . . . . 91 GLU CA . 26877 1 429 . 1 1 93 93 GLU CB C 13 30.856 0.3 . 1 . . . . 91 GLU CB . 26877 1 430 . 1 1 93 93 GLU N N 15 116.343 0.3 . 1 . . . . 91 GLU N . 26877 1 431 . 1 1 94 94 ILE H H 1 8.028 0.020 . 1 . . . . 92 ILE H . 26877 1 432 . 1 1 94 94 ILE C C 13 173.710 0.3 . 1 . . . . 92 ILE C . 26877 1 433 . 1 1 94 94 ILE CA C 13 60.837 0.3 . 1 . . . . 92 ILE CA . 26877 1 434 . 1 1 94 94 ILE CB C 13 40.171 0.3 . 1 . . . . 92 ILE CB . 26877 1 435 . 1 1 94 94 ILE N N 15 122.768 0.3 . 1 . . . . 92 ILE N . 26877 1 436 . 1 1 95 95 MET H H 1 9.162 0.020 . 1 . . . . 93 MET H . 26877 1 437 . 1 1 95 95 MET C C 13 173.514 0.3 . 1 . . . . 93 MET C . 26877 1 438 . 1 1 95 95 MET CA C 13 53.322 0.3 . 1 . . . . 93 MET CA . 26877 1 439 . 1 1 95 95 MET CB C 13 36.570 0.3 . 1 . . . . 93 MET CB . 26877 1 440 . 1 1 95 95 MET N N 15 125.444 0.3 . 1 . . . . 93 MET N . 26877 1 441 . 1 1 96 96 VAL H H 1 9.383 0.020 . 1 . . . . 94 VAL H . 26877 1 442 . 1 1 96 96 VAL C C 13 174.568 0.3 . 1 . . . . 94 VAL C . 26877 1 443 . 1 1 96 96 VAL CA C 13 61.306 0.3 . 1 . . . . 94 VAL CA . 26877 1 444 . 1 1 96 96 VAL CB C 13 33.518 0.3 . 1 . . . . 94 VAL CB . 26877 1 445 . 1 1 96 96 VAL N N 15 128.665 0.3 . 1 . . . . 94 VAL N . 26877 1 446 . 1 1 97 97 ALA H H 1 9.984 0.020 . 1 . . . . 95 ALA H . 26877 1 447 . 1 1 97 97 ALA C C 13 175.768 0.3 . 1 . . . . 95 ALA C . 26877 1 448 . 1 1 97 97 ALA CA C 13 50.191 0.3 . 1 . . . . 95 ALA CA . 26877 1 449 . 1 1 97 97 ALA CB C 13 20.210 0.3 . 1 . . . . 95 ALA CB . 26877 1 450 . 1 1 97 97 ALA N N 15 132.506 0.3 . 1 . . . . 95 ALA N . 26877 1 451 . 1 1 98 98 HIS H H 1 8.951 0.020 . 1 . . . . 96 HIS H . 26877 1 452 . 1 1 98 98 HIS C C 13 171.543 0.3 . 1 . . . . 96 HIS C . 26877 1 453 . 1 1 98 98 HIS CA C 13 53.870 0.3 . 1 . . . . 96 HIS CA . 26877 1 454 . 1 1 98 98 HIS CB C 13 32.578 0.3 . 1 . . . . 96 HIS CB . 26877 1 455 . 1 1 98 98 HIS N N 15 118.982 0.3 . 1 . . . . 96 HIS N . 26877 1 456 . 1 1 99 99 ASP H H 1 10.407 0.020 . 1 . . . . 97 ASP H . 26877 1 457 . 1 1 99 99 ASP C C 13 177.658 0.3 . 1 . . . . 97 ASP C . 26877 1 458 . 1 1 99 99 ASP CA C 13 53.635 0.3 . 1 . . . . 97 ASP CA . 26877 1 459 . 1 1 99 99 ASP CB C 13 40.249 0.3 . 1 . . . . 97 ASP CB . 26877 1 460 . 1 1 99 99 ASP N N 15 115.600 0.3 . 1 . . . . 97 ASP N . 26877 1 461 . 1 1 100 100 GLU H H 1 9.160 0.020 . 1 . . . . 98 GLU H . 26877 1 462 . 1 1 100 100 GLU C C 13 174.932 0.3 . 1 . . . . 98 GLU C . 26877 1 463 . 1 1 100 100 GLU CA C 13 53.635 0.3 . 1 . . . . 98 GLU CA . 26877 1 464 . 1 1 100 100 GLU CB C 13 33.439 0.3 . 1 . . . . 98 GLU CB . 26877 1 465 . 1 1 100 100 GLU N N 15 127.452 0.3 . 1 . . . . 98 GLU N . 26877 1 466 . 1 1 101 101 LEU H H 1 8.653 0.020 . 1 . . . . 99 LEU H . 26877 1 467 . 1 1 101 101 LEU C C 13 177.986 0.3 . 1 . . . . 99 LEU C . 26877 1 468 . 1 1 101 101 LEU CA C 13 57.001 0.3 . 1 . . . . 99 LEU CA . 26877 1 469 . 1 1 101 101 LEU CB C 13 44.344 0.3 . 1 . . . . 99 LEU CB . 26877 1 470 . 1 1 101 101 LEU N N 15 132.737 0.3 . 1 . . . . 99 LEU N . 26877 1 471 . 1 1 102 102 ASP H H 1 9.170 0.020 . 1 . . . . 100 ASP H . 26877 1 472 . 1 1 102 102 ASP C C 13 175.114 0.3 . 1 . . . . 100 ASP C . 26877 1 473 . 1 1 102 102 ASP CA C 13 54.966 0.3 . 1 . . . . 100 ASP CA . 26877 1 474 . 1 1 102 102 ASP CB C 13 40.876 0.3 . 1 . . . . 100 ASP CB . 26877 1 475 . 1 1 102 102 ASP N N 15 114.311 0.3 . 1 . . . . 100 ASP N . 26877 1 476 . 1 1 103 103 LEU H H 1 7.384 0.020 . 1 . . . . 101 LEU H . 26877 1 477 . 1 1 103 103 LEU C C 13 172.533 0.3 . 1 . . . . 101 LEU C . 26877 1 478 . 1 1 103 103 LEU CA C 13 51.365 0.3 . 1 . . . . 101 LEU CA . 26877 1 479 . 1 1 103 103 LEU CB C 13 45.338 0.3 . 1 . . . . 101 LEU CB . 26877 1 480 . 1 1 103 103 LEU N N 15 120.023 0.3 . 1 . . . . 101 LEU N . 26877 1 481 . 1 1 105 105 PRO C C 13 178.429 0.3 . 1 . . . . 103 PRO C . 26877 1 482 . 1 1 105 105 PRO CA C 13 62.922 0.3 . 1 . . . . 103 PRO CA . 26877 1 483 . 1 1 105 105 PRO CB C 13 31.422 0.3 . 1 . . . . 103 PRO CB . 26877 1 484 . 1 1 106 106 GLY H H 1 9.784 0.020 . 1 . . . . 104 GLY H . 26877 1 485 . 1 1 106 106 GLY C C 13 172.024 0.3 . 1 . . . . 104 GLY C . 26877 1 486 . 1 1 106 106 GLY CA C 13 45.876 0.3 . 1 . . . . 104 GLY CA . 26877 1 487 . 1 1 106 106 GLY N N 15 113.970 0.3 . 1 . . . . 104 GLY N . 26877 1 488 . 1 1 107 107 VAL H H 1 7.477 0.020 . 1 . . . . 105 VAL H . 26877 1 489 . 1 1 107 107 VAL C C 13 174.654 0.3 . 1 . . . . 105 VAL C . 26877 1 490 . 1 1 107 107 VAL CA C 13 60.523 0.3 . 1 . . . . 105 VAL CA . 26877 1 491 . 1 1 107 107 VAL CB C 13 34.927 0.3 . 1 . . . . 105 VAL CB . 26877 1 492 . 1 1 107 107 VAL N N 15 116.227 0.3 . 1 . . . . 105 VAL N . 26877 1 493 . 1 1 108 108 ALA H H 1 9.467 0.020 . 1 . . . . 106 ALA H . 26877 1 494 . 1 1 108 108 ALA C C 13 174.954 0.3 . 1 . . . . 106 ALA C . 26877 1 495 . 1 1 108 108 ALA CA C 13 51.521 0.3 . 1 . . . . 106 ALA CA . 26877 1 496 . 1 1 108 108 ALA CB C 13 23.733 0.3 . 1 . . . . 106 ALA CB . 26877 1 497 . 1 1 108 108 ALA N N 15 129.904 0.3 . 1 . . . . 106 ALA N . 26877 1 498 . 1 1 109 109 LYS H H 1 8.153 0.020 . 1 . . . . 107 LYS H . 26877 1 499 . 1 1 109 109 LYS C C 13 176.262 0.3 . 1 . . . . 107 LYS C . 26877 1 500 . 1 1 109 109 LYS CA C 13 54.574 0.3 . 1 . . . . 107 LYS CA . 26877 1 501 . 1 1 109 109 LYS CB C 13 39.623 0.3 . 1 . . . . 107 LYS CB . 26877 1 502 . 1 1 109 109 LYS N N 15 114.040 0.3 . 1 . . . . 107 LYS N . 26877 1 503 . 1 1 110 110 PHE H H 1 11.598 0.020 . 1 . . . . 108 PHE H . 26877 1 504 . 1 1 110 110 PHE C C 13 177.828 0.3 . 1 . . . . 108 PHE C . 26877 1 505 . 1 1 110 110 PHE CA C 13 56.688 0.3 . 1 . . . . 108 PHE CA . 26877 1 506 . 1 1 110 110 PHE CB C 13 42.044 0.3 . 1 . . . . 108 PHE CB . 26877 1 507 . 1 1 110 110 PHE N N 15 122.950 0.3 . 1 . . . . 108 PHE N . 26877 1 508 . 1 1 111 111 LYS H H 1 9.237 0.020 . 1 . . . . 109 LYS H . 26877 1 509 . 1 1 111 111 LYS C C 13 173.152 0.3 . 1 . . . . 109 LYS C . 26877 1 510 . 1 1 111 111 LYS CA C 13 56.218 0.3 . 1 . . . . 109 LYS CA . 26877 1 511 . 1 1 111 111 LYS CB C 13 38.449 0.3 . 1 . . . . 109 LYS CB . 26877 1 512 . 1 1 111 111 LYS N N 15 122.782 0.3 . 1 . . . . 109 LYS N . 26877 1 513 . 1 1 112 112 GLN H H 1 8.881 0.020 . 1 . . . . 110 GLN H . 26877 1 514 . 1 1 112 112 GLN C C 13 175.150 0.3 . 1 . . . . 110 GLN C . 26877 1 515 . 1 1 112 112 GLN CA C 13 55.891 0.3 . 1 . . . . 110 GLN CA . 26877 1 516 . 1 1 112 112 GLN CB C 13 29.447 0.3 . 1 . . . . 110 GLN CB . 26877 1 517 . 1 1 112 112 GLN N N 15 127.101 0.3 . 1 . . . . 110 GLN N . 26877 1 518 . 1 1 113 113 GLY H H 1 7.146 0.020 . 1 . . . . 111 GLY H . 26877 1 519 . 1 1 113 113 GLY C C 13 171.543 0.3 . 1 . . . . 111 GLY C . 26877 1 520 . 1 1 113 113 GLY CA C 13 44.633 0.3 . 1 . . . . 111 GLY CA . 26877 1 521 . 1 1 113 113 GLY N N 15 114.002 0.3 . 1 . . . . 111 GLY N . 26877 1 522 . 1 1 114 114 GLY H H 1 7.603 0.020 . 1 . . . . 112 GLY H . 26877 1 523 . 1 1 114 114 GLY C C 13 174.823 0.3 . 1 . . . . 112 GLY C . 26877 1 524 . 1 1 114 114 GLY CA C 13 43.381 0.3 . 1 . . . . 112 GLY CA . 26877 1 525 . 1 1 114 114 GLY N N 15 102.554 0.3 . 1 . . . . 112 GLY N . 26877 1 526 . 1 1 115 115 GLY H H 1 8.080 0.020 . 1 . . . . 113 GLY H . 26877 1 527 . 1 1 115 115 GLY C C 13 174.750 0.3 . 1 . . . . 113 GLY C . 26877 1 528 . 1 1 115 115 GLY CA C 13 44.822 0.3 . 1 . . . . 113 GLY CA . 26877 1 529 . 1 1 115 115 GLY N N 15 104.384 0.3 . 1 . . . . 113 GLY N . 26877 1 530 . 1 1 116 116 HIS H H 1 7.477 0.020 . 1 . . . . 114 HIS H . 26877 1 531 . 1 1 116 116 HIS C C 13 177.658 0.3 . 1 . . . . 114 HIS C . 26877 1 532 . 1 1 116 116 HIS CA C 13 55.118 0.3 . 1 . . . . 114 HIS CA . 26877 1 533 . 1 1 116 116 HIS CB C 13 31.738 0.3 . 1 . . . . 114 HIS CB . 26877 1 534 . 1 1 116 116 HIS N N 15 114.319 0.3 . 1 . . . . 114 HIS N . 26877 1 535 . 1 1 117 117 GLY H H 1 8.438 0.020 . 1 . . . . 115 GLY H . 26877 1 536 . 1 1 117 117 GLY C C 13 175.368 0.3 . 1 . . . . 115 GLY C . 26877 1 537 . 1 1 117 117 GLY CA C 13 46.986 0.3 . 1 . . . . 115 GLY CA . 26877 1 538 . 1 1 117 117 GLY N N 15 112.045 0.3 . 1 . . . . 115 GLY N . 26877 1 539 . 1 1 118 118 GLY H H 1 11.031 0.020 . 1 . . . . 116 GLY H . 26877 1 540 . 1 1 118 118 GLY C C 13 174.132 0.3 . 1 . . . . 116 GLY C . 26877 1 541 . 1 1 118 118 GLY CA C 13 45.024 0.3 . 1 . . . . 116 GLY CA . 26877 1 542 . 1 1 118 118 GLY N N 15 112.727 0.3 . 1 . . . . 116 GLY N . 26877 1 543 . 1 1 119 119 HIS H H 1 8.257 0.020 . 1 . . . . 117 HIS H . 26877 1 544 . 1 1 119 119 HIS C C 13 176.822 0.3 . 1 . . . . 117 HIS C . 26877 1 545 . 1 1 119 119 HIS CA C 13 57.392 0.3 . 1 . . . . 117 HIS CA . 26877 1 546 . 1 1 119 119 HIS CB C 13 32.190 0.3 . 1 . . . . 117 HIS CB . 26877 1 547 . 1 1 119 119 HIS N N 15 124.830 0.3 . 1 . . . . 117 HIS N . 26877 1 548 . 1 1 120 120 ASN H H 1 9.331 0.020 . 1 . . . . 118 ASN H . 26877 1 549 . 1 1 120 120 ASN C C 13 178.531 0.3 . 1 . . . . 118 ASN C . 26877 1 550 . 1 1 120 120 ASN CA C 13 56.592 0.3 . 1 . . . . 118 ASN CA . 26877 1 551 . 1 1 120 120 ASN CB C 13 36.960 0.3 . 1 . . . . 118 ASN CB . 26877 1 552 . 1 1 120 120 ASN N N 15 127.526 0.3 . 1 . . . . 118 ASN N . 26877 1 553 . 1 1 121 121 GLY H H 1 9.531 0.020 . 1 . . . . 119 GLY H . 26877 1 554 . 1 1 121 121 GLY C C 13 177.163 0.3 . 1 . . . . 119 GLY C . 26877 1 555 . 1 1 121 121 GLY CA C 13 47.373 0.3 . 1 . . . . 119 GLY CA . 26877 1 556 . 1 1 121 121 GLY N N 15 112.553 0.3 . 1 . . . . 119 GLY N . 26877 1 557 . 1 1 122 122 LEU H H 1 8.116 0.020 . 1 . . . . 120 LEU H . 26877 1 558 . 1 1 122 122 LEU C C 13 178.729 0.3 . 1 . . . . 120 LEU C . 26877 1 559 . 1 1 122 122 LEU CA C 13 57.940 0.3 . 1 . . . . 120 LEU CA . 26877 1 560 . 1 1 122 122 LEU CB C 13 42.833 0.3 . 1 . . . . 120 LEU CB . 26877 1 561 . 1 1 122 122 LEU N N 15 125.768 0.3 . 1 . . . . 120 LEU N . 26877 1 562 . 1 1 123 123 LYS H H 1 8.682 0.020 . 1 . . . . 121 LYS H . 26877 1 563 . 1 1 123 123 LYS C C 13 177.496 0.3 . 1 . . . . 121 LYS C . 26877 1 564 . 1 1 123 123 LYS CA C 13 60.837 0.3 . 1 . . . . 121 LYS CA . 26877 1 565 . 1 1 123 123 LYS CB C 13 33.204 0.3 . 1 . . . . 121 LYS CB . 26877 1 566 . 1 1 123 123 LYS N N 15 120.178 0.3 . 1 . . . . 121 LYS N . 26877 1 567 . 1 1 124 124 ASP H H 1 7.277 0.020 . 1 . . . . 122 ASP H . 26877 1 568 . 1 1 124 124 ASP C C 13 178.107 0.3 . 1 . . . . 122 ASP C . 26877 1 569 . 1 1 124 124 ASP CA C 13 58.175 0.3 . 1 . . . . 122 ASP CA . 26877 1 570 . 1 1 124 124 ASP CB C 13 43.694 0.3 . 1 . . . . 122 ASP CB . 26877 1 571 . 1 1 124 124 ASP N N 15 117.542 0.3 . 1 . . . . 122 ASP N . 26877 1 572 . 1 1 125 125 THR H H 1 7.602 0.020 . 1 . . . . 123 THR H . 26877 1 573 . 1 1 125 125 THR C C 13 174.568 0.3 . 1 . . . . 123 THR C . 26877 1 574 . 1 1 125 125 THR CA C 13 69.447 0.3 . 1 . . . . 123 THR CA . 26877 1 575 . 1 1 125 125 THR CB C 13 67.803 0.3 . 1 . . . . 123 THR CB . 26877 1 576 . 1 1 125 125 THR N N 15 116.712 0.3 . 1 . . . . 123 THR N . 26877 1 577 . 1 1 126 126 ILE H H 1 8.059 0.020 . 1 . . . . 124 ILE H . 26877 1 578 . 1 1 126 126 ILE C C 13 178.894 0.3 . 1 . . . . 124 ILE C . 26877 1 579 . 1 1 126 126 ILE CA C 13 65.424 0.3 . 1 . . . . 124 ILE CA . 26877 1 580 . 1 1 126 126 ILE CB C 13 39.593 0.3 . 1 . . . . 124 ILE CB . 26877 1 581 . 1 1 126 126 ILE N N 15 118.792 0.3 . 1 . . . . 124 ILE N . 26877 1 582 . 1 1 127 127 SER H H 1 7.382 0.020 . 1 . . . . 125 SER H . 26877 1 583 . 1 1 127 127 SER C C 13 178.729 0.3 . 1 . . . . 125 SER C . 26877 1 584 . 1 1 127 127 SER CA C 13 61.619 0.3 . 1 . . . . 125 SER CA . 26877 1 585 . 1 1 127 127 SER CB C 13 63.263 0.3 . 1 . . . . 125 SER CB . 26877 1 586 . 1 1 127 127 SER N N 15 111.215 0.3 . 1 . . . . 125 SER N . 26877 1 587 . 1 1 128 128 LYS H H 1 8.467 0.020 . 1 . . . . 126 LYS H . 26877 1 588 . 1 1 128 128 LYS C C 13 178.204 0.3 . 1 . . . . 126 LYS C . 26877 1 589 . 1 1 128 128 LYS CA C 13 58.019 0.3 . 1 . . . . 126 LYS CA . 26877 1 590 . 1 1 128 128 LYS CB C 13 31.604 0.3 . 1 . . . . 126 LYS CB . 26877 1 591 . 1 1 128 128 LYS N N 15 119.584 0.3 . 1 . . . . 126 LYS N . 26877 1 592 . 1 1 129 129 LEU H H 1 7.727 0.020 . 1 . . . . 127 LEU H . 26877 1 593 . 1 1 129 129 LEU C C 13 176.459 0.3 . 1 . . . . 127 LEU C . 26877 1 594 . 1 1 129 129 LEU CA C 13 54.343 0.3 . 1 . . . . 127 LEU CA . 26877 1 595 . 1 1 129 129 LEU CB C 13 40.530 0.3 . 1 . . . . 127 LEU CB . 26877 1 596 . 1 1 129 129 LEU N N 15 119.799 0.3 . 1 . . . . 127 LEU N . 26877 1 597 . 1 1 130 130 GLY H H 1 7.747 0.020 . 1 . . . . 128 GLY H . 26877 1 598 . 1 1 130 130 GLY C C 13 175.186 0.3 . 1 . . . . 128 GLY C . 26877 1 599 . 1 1 130 130 GLY CA C 13 46.903 0.3 . 1 . . . . 128 GLY CA . 26877 1 600 . 1 1 130 130 GLY N N 15 107.939 0.3 . 1 . . . . 128 GLY N . 26877 1 601 . 1 1 131 131 ASN H H 1 8.226 0.020 . 1 . . . . 129 ASN H . 26877 1 602 . 1 1 131 131 ASN C C 13 174.968 0.3 . 1 . . . . 129 ASN C . 26877 1 603 . 1 1 131 131 ASN CA C 13 54.261 0.3 . 1 . . . . 129 ASN CA . 26877 1 604 . 1 1 131 131 ASN CB C 13 37.040 0.3 . 1 . . . . 129 ASN CB . 26877 1 605 . 1 1 131 131 ASN N N 15 115.758 0.3 . 1 . . . . 129 ASN N . 26877 1 606 . 1 1 133 133 LYS C C 13 178.567 0.3 . 1 . . . . 131 LYS C . 26877 1 607 . 1 1 133 133 LYS CA C 13 55.730 0.3 . 1 . . . . 131 LYS CA . 26877 1 608 . 1 1 133 133 LYS CB C 13 33.252 0.3 . 1 . . . . 131 LYS CB . 26877 1 609 . 1 1 134 134 GLU H H 1 8.661 0.020 . 1 . . . . 132 GLU H . 26877 1 610 . 1 1 134 134 GLU C C 13 175.318 0.3 . 1 . . . . 132 GLU C . 26877 1 611 . 1 1 134 134 GLU CA C 13 56.923 0.3 . 1 . . . . 132 GLU CA . 26877 1 612 . 1 1 134 134 GLU CB C 13 27.803 0.3 . 1 . . . . 132 GLU CB . 26877 1 613 . 1 1 134 134 GLU N N 15 119.529 0.3 . 1 . . . . 132 GLU N . 26877 1 614 . 1 1 135 135 PHE H H 1 6.640 0.020 . 1 . . . . 133 PHE H . 26877 1 615 . 1 1 135 135 PHE C C 13 177.622 0.3 . 1 . . . . 133 PHE C . 26877 1 616 . 1 1 135 135 PHE CA C 13 55.201 0.3 . 1 . . . . 133 PHE CA . 26877 1 617 . 1 1 135 135 PHE CB C 13 40.249 0.3 . 1 . . . . 133 PHE CB . 26877 1 618 . 1 1 135 135 PHE N N 15 114.479 0.3 . 1 . . . . 133 PHE N . 26877 1 619 . 1 1 136 136 TYR H H 1 9.210 0.020 . 1 . . . . 134 TYR H . 26877 1 620 . 1 1 136 136 TYR C C 13 176.095 0.3 . 1 . . . . 134 TYR C . 26877 1 621 . 1 1 136 136 TYR CA C 13 59.506 0.3 . 1 . . . . 134 TYR CA . 26877 1 622 . 1 1 136 136 TYR CB C 13 41.658 0.3 . 1 . . . . 134 TYR CB . 26877 1 623 . 1 1 136 136 TYR N N 15 121.166 0.3 . 1 . . . . 134 TYR N . 26877 1 624 . 1 1 137 137 ARG H H 1 9.866 0.020 . 1 . . . . 135 ARG H . 26877 1 625 . 1 1 137 137 ARG C C 13 174.353 0.3 . 1 . . . . 135 ARG C . 26877 1 626 . 1 1 137 137 ARG CA C 13 54.758 0.3 . 1 . . . . 135 ARG CA . 26877 1 627 . 1 1 137 137 ARG CB C 13 32.187 0.3 . 1 . . . . 135 ARG CB . 26877 1 628 . 1 1 137 137 ARG N N 15 119.822 0.3 . 1 . . . . 135 ARG N . 26877 1 629 . 1 1 138 138 LEU H H 1 8.555 0.020 . 1 . . . . 136 LEU H . 26877 1 630 . 1 1 138 138 LEU C C 13 173.131 0.3 . 1 . . . . 136 LEU C . 26877 1 631 . 1 1 138 138 LEU CA C 13 54.731 0.3 . 1 . . . . 136 LEU CA . 26877 1 632 . 1 1 138 138 LEU CB C 13 42.989 0.3 . 1 . . . . 136 LEU CB . 26877 1 633 . 1 1 138 138 LEU N N 15 126.337 0.3 . 1 . . . . 136 LEU N . 26877 1 634 . 1 1 139 139 ARG H H 1 9.205 0.020 . 1 . . . . 137 ARG H . 26877 1 635 . 1 1 139 139 ARG C C 13 174.010 0.3 . 1 . . . . 137 ARG C . 26877 1 636 . 1 1 139 139 ARG CA C 13 54.484 0.3 . 1 . . . . 137 ARG CA . 26877 1 637 . 1 1 139 139 ARG CB C 13 32.265 0.3 . 1 . . . . 137 ARG CB . 26877 1 638 . 1 1 139 139 ARG N N 15 124.459 0.3 . 1 . . . . 137 ARG N . 26877 1 639 . 1 1 140 140 LEU H H 1 8.590 0.020 . 1 . . . . 138 LEU H . 26877 1 640 . 1 1 140 140 LEU C C 13 175.940 0.3 . 1 . . . . 138 LEU C . 26877 1 641 . 1 1 140 140 LEU CA C 13 53.870 0.3 . 1 . . . . 138 LEU CA . 26877 1 642 . 1 1 140 140 LEU CB C 13 41.580 0.3 . 1 . . . . 138 LEU CB . 26877 1 643 . 1 1 140 140 LEU N N 15 125.801 0.3 . 1 . . . . 138 LEU N . 26877 1 644 . 1 1 141 141 GLY H H 1 8.555 0.020 . 1 . . . . 139 GLY H . 26877 1 645 . 1 1 141 141 GLY C C 13 174.353 0.3 . 1 . . . . 139 GLY C . 26877 1 646 . 1 1 141 141 GLY CA C 13 48.782 0.3 . 1 . . . . 139 GLY CA . 26877 1 647 . 1 1 141 141 GLY N N 15 113.422 0.3 . 1 . . . . 139 GLY N . 26877 1 648 . 1 1 142 142 ILE H H 1 8.091 0.020 . 1 . . . . 140 ILE H . 26877 1 649 . 1 1 142 142 ILE C C 13 178.604 0.3 . 1 . . . . 140 ILE C . 26877 1 650 . 1 1 142 142 ILE CA C 13 60.837 0.3 . 1 . . . . 140 ILE CA . 26877 1 651 . 1 1 142 142 ILE CB C 13 42.050 0.3 . 1 . . . . 140 ILE CB . 26877 1 652 . 1 1 142 142 ILE N N 15 112.017 0.3 . 1 . . . . 140 ILE N . 26877 1 653 . 1 1 143 143 GLY H H 1 9.400 0.020 . 1 . . . . 141 GLY H . 26877 1 654 . 1 1 143 143 GLY C C 13 167.407 0.3 . 1 . . . . 141 GLY C . 26877 1 655 . 1 1 143 143 GLY CA C 13 45.416 0.3 . 1 . . . . 141 GLY CA . 26877 1 656 . 1 1 143 143 GLY N N 15 116.313 0.3 . 1 . . . . 141 GLY N . 26877 1 657 . 1 1 144 144 HIS H H 1 7.590 0.020 . 1 . . . . 142 HIS H . 26877 1 658 . 1 1 144 144 HIS C C 13 175.223 0.3 . 1 . . . . 142 HIS C . 26877 1 659 . 1 1 144 144 HIS CA C 13 53.087 0.3 . 1 . . . . 142 HIS CA . 26877 1 660 . 1 1 144 144 HIS CB C 13 33.942 0.3 . 1 . . . . 142 HIS CB . 26877 1 661 . 1 1 144 144 HIS N N 15 112.848 0.3 . 1 . . . . 142 HIS N . 26877 1 662 . 1 1 145 145 PRO C C 13 176.713 0.3 . 1 . . . . 143 PRO C . 26877 1 663 . 1 1 145 145 PRO CA C 13 62.922 0.3 . 1 . . . . 143 PRO CA . 26877 1 664 . 1 1 145 145 PRO CB C 13 32.828 0.3 . 1 . . . . 143 PRO CB . 26877 1 665 . 1 1 146 146 GLY H H 1 8.106 0.020 . 1 . . . . 144 GLY H . 26877 1 666 . 1 1 146 146 GLY C C 13 174.496 0.3 . 1 . . . . 144 GLY C . 26877 1 667 . 1 1 146 146 GLY CA C 13 44.563 0.3 . 1 . . . . 144 GLY CA . 26877 1 668 . 1 1 146 146 GLY N N 15 106.533 0.3 . 1 . . . . 144 GLY N . 26877 1 669 . 1 1 147 147 HIS H H 1 7.021 0.020 . 1 . . . . 145 HIS H . 26877 1 670 . 1 1 147 147 HIS C C 13 176.495 0.3 . 1 . . . . 145 HIS C . 26877 1 671 . 1 1 147 147 HIS CA C 13 57.079 0.3 . 1 . . . . 145 HIS CA . 26877 1 672 . 1 1 147 147 HIS CB C 13 34.144 0.3 . 1 . . . . 145 HIS CB . 26877 1 673 . 1 1 147 147 HIS N N 15 117.541 0.3 . 1 . . . . 145 HIS N . 26877 1 674 . 1 1 148 148 LYS C C 13 178.422 0.3 . 1 . . . . 146 LYS C . 26877 1 675 . 1 1 148 148 LYS CA C 13 59.453 0.3 . 1 . . . . 146 LYS CA . 26877 1 676 . 1 1 148 148 LYS CB C 13 32.266 0.3 . 1 . . . . 146 LYS CB . 26877 1 677 . 1 1 149 149 ASP H H 1 10.475 0.020 . 1 . . . . 147 ASP H . 26877 1 678 . 1 1 149 149 ASP C C 13 177.222 0.3 . 1 . . . . 147 ASP C . 26877 1 679 . 1 1 149 149 ASP CA C 13 56.059 0.3 . 1 . . . . 147 ASP CA . 26877 1 680 . 1 1 149 149 ASP CB C 13 40.093 0.3 . 1 . . . . 147 ASP CB . 26877 1 681 . 1 1 149 149 ASP N N 15 121.796 0.3 . 1 . . . . 147 ASP N . 26877 1 682 . 1 1 150 150 LYS H H 1 7.739 0.020 . 1 . . . . 148 LYS H . 26877 1 683 . 1 1 150 150 LYS C C 13 177.163 0.3 . 1 . . . . 148 LYS C . 26877 1 684 . 1 1 150 150 LYS CA C 13 55.827 0.3 . 1 . . . . 148 LYS CA . 26877 1 685 . 1 1 150 150 LYS CB C 13 34.271 0.3 . 1 . . . . 148 LYS CB . 26877 1 686 . 1 1 150 150 LYS N N 15 116.953 0.3 . 1 . . . . 148 LYS N . 26877 1 687 . 1 1 151 151 VAL H H 1 7.335 0.020 . 1 . . . . 149 VAL H . 26877 1 688 . 1 1 151 151 VAL C C 13 176.241 0.3 . 1 . . . . 149 VAL C . 26877 1 689 . 1 1 151 151 VAL CA C 13 68.103 0.3 . 1 . . . . 149 VAL CA . 26877 1 690 . 1 1 151 151 VAL CB C 13 32.109 0.3 . 1 . . . . 149 VAL CB . 26877 1 691 . 1 1 151 151 VAL N N 15 121.300 0.3 . 1 . . . . 149 VAL N . 26877 1 692 . 1 1 152 152 ALA H H 1 8.660 0.020 . 1 . . . . 150 ALA H . 26877 1 693 . 1 1 152 152 ALA C C 13 180.016 0.3 . 1 . . . . 150 ALA C . 26877 1 694 . 1 1 152 152 ALA CA C 13 55.827 0.3 . 1 . . . . 150 ALA CA . 26877 1 695 . 1 1 152 152 ALA CB C 13 17.627 0.3 . 1 . . . . 150 ALA CB . 26877 1 696 . 1 1 152 152 ALA N N 15 122.133 0.3 . 1 . . . . 150 ALA N . 26877 1 697 . 1 1 153 153 GLY H H 1 8.342 0.020 . 1 . . . . 151 GLY H . 26877 1 698 . 1 1 153 153 GLY C C 13 175.841 0.3 . 1 . . . . 151 GLY C . 26877 1 699 . 1 1 153 153 GLY CA C 13 45.964 0.3 . 1 . . . . 151 GLY CA . 26877 1 700 . 1 1 153 153 GLY N N 15 102.441 0.3 . 1 . . . . 151 GLY N . 26877 1 701 . 1 1 154 154 TYR H H 1 7.912 0.020 . 1 . . . . 152 TYR H . 26877 1 702 . 1 1 154 154 TYR C C 13 179.694 0.3 . 1 . . . . 152 TYR C . 26877 1 703 . 1 1 154 154 TYR CA C 13 61.385 0.3 . 1 . . . . 152 TYR CA . 26877 1 704 . 1 1 154 154 TYR CB C 13 40.484 0.3 . 1 . . . . 152 TYR CB . 26877 1 705 . 1 1 154 154 TYR N N 15 123.395 0.3 . 1 . . . . 152 TYR N . 26877 1 706 . 1 1 155 155 VAL H H 1 8.609 0.020 . 1 . . . . 153 VAL H . 26877 1 707 . 1 1 155 155 VAL C C 13 175.620 0.3 . 1 . . . . 153 VAL C . 26877 1 708 . 1 1 155 155 VAL CA C 13 65.142 0.3 . 1 . . . . 153 VAL CA . 26877 1 709 . 1 1 155 155 VAL CB C 13 31.091 0.3 . 1 . . . . 153 VAL CB . 26877 1 710 . 1 1 155 155 VAL N N 15 112.844 0.3 . 1 . . . . 153 VAL N . 26877 1 711 . 1 1 156 156 LEU H H 1 6.895 0.020 . 1 . . . . 154 LEU H . 26877 1 712 . 1 1 156 156 LEU C C 13 175.005 0.3 . 1 . . . . 154 LEU C . 26877 1 713 . 1 1 156 156 LEU CA C 13 53.948 0.3 . 1 . . . . 154 LEU CA . 26877 1 714 . 1 1 156 156 LEU CB C 13 40.641 0.3 . 1 . . . . 154 LEU CB . 26877 1 715 . 1 1 156 156 LEU N N 15 117.742 0.3 . 1 . . . . 154 LEU N . 26877 1 716 . 1 1 157 157 GLY H H 1 7.305 0.020 . 1 . . . . 155 GLY H . 26877 1 717 . 1 1 157 157 GLY C C 13 171.844 0.3 . 1 . . . . 155 GLY C . 26877 1 718 . 1 1 157 157 GLY CA C 13 43.615 0.3 . 1 . . . . 155 GLY CA . 26877 1 719 . 1 1 157 157 GLY N N 15 107.868 0.3 . 1 . . . . 155 GLY N . 26877 1 720 . 1 1 158 158 LYS H H 1 8.135 0.020 . 1 . . . . 156 LYS H . 26877 1 721 . 1 1 158 158 LYS C C 13 176.386 0.3 . 1 . . . . 156 LYS C . 26877 1 722 . 1 1 158 158 LYS CA C 13 54.887 0.3 . 1 . . . . 156 LYS CA . 26877 1 723 . 1 1 158 158 LYS CB C 13 33.518 0.3 . 1 . . . . 156 LYS CB . 26877 1 724 . 1 1 158 158 LYS N N 15 118.430 0.3 . 1 . . . . 156 LYS N . 26877 1 725 . 1 1 159 159 ALA H H 1 9.739 0.020 . 1 . . . . 157 ALA H . 26877 1 726 . 1 1 159 159 ALA C C 13 175.695 0.3 . 1 . . . . 157 ALA C . 26877 1 727 . 1 1 159 159 ALA CA C 13 50.895 0.3 . 1 . . . . 157 ALA CA . 26877 1 728 . 1 1 159 159 ALA CB C 13 17.784 0.3 . 1 . . . . 157 ALA CB . 26877 1 729 . 1 1 159 159 ALA N N 15 130.734 0.3 . 1 . . . . 157 ALA N . 26877 1 730 . 1 1 160 160 PRO C C 13 176.624 0.3 . 1 . . . . 158 PRO C . 26877 1 731 . 1 1 160 160 PRO CA C 13 62.167 0.3 . 1 . . . . 158 PRO CA . 26877 1 732 . 1 1 160 160 PRO CB C 13 32.343 0.3 . 1 . . . . 158 PRO CB . 26877 1 733 . 1 1 161 161 ALA H H 1 8.546 0.020 . 1 . . . . 159 ALA H . 26877 1 734 . 1 1 161 161 ALA C C 13 179.731 0.3 . 1 . . . . 159 ALA C . 26877 1 735 . 1 1 161 161 ALA CA C 13 56.766 0.3 . 1 . . . . 159 ALA CA . 26877 1 736 . 1 1 161 161 ALA CB C 13 18.723 0.3 . 1 . . . . 159 ALA CB . 26877 1 737 . 1 1 161 161 ALA N N 15 123.803 0.3 . 1 . . . . 159 ALA N . 26877 1 738 . 1 1 162 162 LYS H H 1 8.847 0.020 . 1 . . . . 160 LYS H . 26877 1 739 . 1 1 162 162 LYS C C 13 179.115 0.3 . 1 . . . . 160 LYS C . 26877 1 740 . 1 1 162 162 LYS CA C 13 58.958 0.3 . 1 . . . . 160 LYS CA . 26877 1 741 . 1 1 162 162 LYS CB C 13 31.561 0.3 . 1 . . . . 160 LYS CB . 26877 1 742 . 1 1 162 162 LYS N N 15 116.951 0.3 . 1 . . . . 160 LYS N . 26877 1 743 . 1 1 163 163 GLU H H 1 6.949 0.020 . 1 . . . . 161 GLU H . 26877 1 744 . 1 1 163 163 GLU C C 13 178.707 0.3 . 1 . . . . 161 GLU C . 26877 1 745 . 1 1 163 163 GLU CA C 13 59.349 0.3 . 1 . . . . 161 GLU CA . 26877 1 746 . 1 1 163 163 GLU CB C 13 31.247 0.3 . 1 . . . . 161 GLU CB . 26877 1 747 . 1 1 163 163 GLU N N 15 118.779 0.3 . 1 . . . . 161 GLU N . 26877 1 748 . 1 1 164 164 GLN H H 1 8.970 0.020 . 1 . . . . 162 GLN H . 26877 1 749 . 1 1 164 164 GLN C C 13 177.184 0.3 . 1 . . . . 162 GLN C . 26877 1 750 . 1 1 164 164 GLN CA C 13 58.019 0.3 . 1 . . . . 162 GLN CA . 26877 1 751 . 1 1 164 164 GLN CB C 13 28.273 0.3 . 1 . . . . 162 GLN CB . 26877 1 752 . 1 1 164 164 GLN N N 15 120.420 0.3 . 1 . . . . 162 GLN N . 26877 1 753 . 1 1 165 165 GLU H H 1 8.023 0.020 . 1 . . . . 163 GLU H . 26877 1 754 . 1 1 165 165 GLU C C 13 180.130 0.3 . 1 . . . . 163 GLU C . 26877 1 755 . 1 1 165 165 GLU CA C 13 59.897 0.3 . 1 . . . . 163 GLU CA . 26877 1 756 . 1 1 165 165 GLU CB C 13 29.760 0.3 . 1 . . . . 163 GLU CB . 26877 1 757 . 1 1 165 165 GLU N N 15 118.029 0.3 . 1 . . . . 163 GLU N . 26877 1 758 . 1 1 166 166 CYS H H 1 7.266 0.020 . 1 . . . . 164 CYS H . 26877 1 759 . 1 1 166 166 CYS C C 13 176.677 0.3 . 1 . . . . 164 CYS C . 26877 1 760 . 1 1 166 166 CYS CA C 13 63.420 0.3 . 1 . . . . 164 CYS CA . 26877 1 761 . 1 1 166 166 CYS CB C 13 26.316 0.3 . 1 . . . . 164 CYS CB . 26877 1 762 . 1 1 166 166 CYS N N 15 118.889 0.3 . 1 . . . . 164 CYS N . 26877 1 763 . 1 1 167 167 LEU H H 1 8.326 0.020 . 1 . . . . 165 LEU H . 26877 1 764 . 1 1 167 167 LEU C C 13 178.931 0.3 . 1 . . . . 165 LEU C . 26877 1 765 . 1 1 167 167 LEU CA C 13 58.410 0.3 . 1 . . . . 165 LEU CA . 26877 1 766 . 1 1 167 167 LEU CB C 13 42.285 0.3 . 1 . . . . 165 LEU CB . 26877 1 767 . 1 1 167 167 LEU N N 15 121.457 0.3 . 1 . . . . 165 LEU N . 26877 1 768 . 1 1 168 168 ASP H H 1 9.147 0.020 . 1 . . . . 166 ASP H . 26877 1 769 . 1 1 168 168 ASP C C 13 179.029 0.3 . 1 . . . . 166 ASP C . 26877 1 770 . 1 1 168 168 ASP CA C 13 57.392 0.3 . 1 . . . . 166 ASP CA . 26877 1 771 . 1 1 168 168 ASP CB C 13 39.701 0.3 . 1 . . . . 166 ASP CB . 26877 1 772 . 1 1 168 168 ASP N N 15 119.629 0.3 . 1 . . . . 166 ASP N . 26877 1 773 . 1 1 169 169 ALA H H 1 7.716 0.020 . 1 . . . . 167 ALA H . 26877 1 774 . 1 1 169 169 ALA C C 13 180.616 0.3 . 1 . . . . 167 ALA C . 26877 1 775 . 1 1 169 169 ALA CA C 13 54.966 0.3 . 1 . . . . 167 ALA CA . 26877 1 776 . 1 1 169 169 ALA CB C 13 18.488 0.3 . 1 . . . . 167 ALA CB . 26877 1 777 . 1 1 169 169 ALA N N 15 122.442 0.3 . 1 . . . . 167 ALA N . 26877 1 778 . 1 1 170 170 ALA H H 1 8.137 0.020 . 1 . . . . 168 ALA H . 26877 1 779 . 1 1 170 170 ALA C C 13 180.917 0.3 . 1 . . . . 168 ALA C . 26877 1 780 . 1 1 170 170 ALA CA C 13 55.435 0.3 . 1 . . . . 168 ALA CA . 26877 1 781 . 1 1 170 170 ALA CB C 13 17.705 0.3 . 1 . . . . 168 ALA CB . 26877 1 782 . 1 1 170 170 ALA N N 15 122.779 0.3 . 1 . . . . 168 ALA N . 26877 1 783 . 1 1 171 171 VAL H H 1 9.023 0.020 . 1 . . . . 169 VAL H . 26877 1 784 . 1 1 171 171 VAL C C 13 177.404 0.3 . 1 . . . . 169 VAL C . 26877 1 785 . 1 1 171 171 VAL CA C 13 67.725 0.3 . 1 . . . . 169 VAL CA . 26877 1 786 . 1 1 171 171 VAL CB C 13 31.639 0.3 . 1 . . . . 169 VAL CB . 26877 1 787 . 1 1 171 171 VAL N N 15 124.790 0.3 . 1 . . . . 169 VAL N . 26877 1 788 . 1 1 172 172 ASP H H 1 8.115 0.020 . 1 . . . . 170 ASP H . 26877 1 789 . 1 1 172 172 ASP C C 13 178.858 0.3 . 1 . . . . 170 ASP C . 26877 1 790 . 1 1 172 172 ASP CA C 13 57.862 0.3 . 1 . . . . 170 ASP CA . 26877 1 791 . 1 1 172 172 ASP CB C 13 40.511 0.3 . 1 . . . . 170 ASP CB . 26877 1 792 . 1 1 172 172 ASP N N 15 119.539 0.3 . 1 . . . . 170 ASP N . 26877 1 793 . 1 1 173 173 GLU H H 1 7.789 0.020 . 1 . . . . 171 GLU H . 26877 1 794 . 1 1 173 173 GLU C C 13 179.050 0.3 . 1 . . . . 171 GLU C . 26877 1 795 . 1 1 173 173 GLU CA C 13 58.175 0.3 . 1 . . . . 171 GLU CA . 26877 1 796 . 1 1 173 173 GLU CB C 13 28.116 0.3 . 1 . . . . 171 GLU CB . 26877 1 797 . 1 1 173 173 GLU N N 15 119.971 0.3 . 1 . . . . 171 GLU N . 26877 1 798 . 1 1 174 174 SER H H 1 8.434 0.020 . 1 . . . . 172 SER H . 26877 1 799 . 1 1 174 174 SER C C 13 175.804 0.3 . 1 . . . . 172 SER C . 26877 1 800 . 1 1 174 174 SER CA C 13 64.594 0.3 . 1 . . . . 172 SER CA . 26877 1 801 . 1 1 174 174 SER CB C 13 62.794 0.3 . 1 . . . . 172 SER CB . 26877 1 802 . 1 1 174 174 SER N N 15 119.397 0.3 . 1 . . . . 172 SER N . 26877 1 803 . 1 1 175 175 VAL H H 1 8.285 0.020 . 1 . . . . 173 VAL H . 26877 1 804 . 1 1 175 175 VAL C C 13 178.204 0.3 . 1 . . . . 173 VAL C . 26877 1 805 . 1 1 175 175 VAL CA C 13 67.803 0.3 . 1 . . . . 173 VAL CA . 26877 1 806 . 1 1 175 175 VAL CB C 13 31.089 0.3 . 1 . . . . 173 VAL CB . 26877 1 807 . 1 1 175 175 VAL N N 15 122.075 0.3 . 1 . . . . 173 VAL N . 26877 1 808 . 1 1 176 176 ARG H H 1 7.631 0.020 . 1 . . . . 174 ARG H . 26877 1 809 . 1 1 176 176 ARG C C 13 180.938 0.3 . 1 . . . . 174 ARG C . 26877 1 810 . 1 1 176 176 ARG CA C 13 59.506 0.3 . 1 . . . . 174 ARG CA . 26877 1 811 . 1 1 176 176 ARG CB C 13 30.073 0.3 . 1 . . . . 174 ARG CB . 26877 1 812 . 1 1 176 176 ARG N N 15 118.807 0.3 . 1 . . . . 174 ARG N . 26877 1 813 . 1 1 177 177 CYS H H 1 8.621 0.020 . 1 . . . . 175 CYS H . 26877 1 814 . 1 1 177 177 CYS C C 13 176.541 0.3 . 1 . . . . 175 CYS C . 26877 1 815 . 1 1 177 177 CYS CA C 13 64.437 0.3 . 1 . . . . 175 CYS CA . 26877 1 816 . 1 1 177 177 CYS CB C 13 27.255 0.3 . 1 . . . . 175 CYS CB . 26877 1 817 . 1 1 177 177 CYS N N 15 117.156 0.3 . 1 . . . . 175 CYS N . 26877 1 818 . 1 1 178 178 LEU H H 1 8.673 0.020 . 1 . . . . 176 LEU H . 26877 1 819 . 1 1 178 178 LEU C C 13 178.450 0.3 . 1 . . . . 176 LEU C . 26877 1 820 . 1 1 178 178 LEU CA C 13 57.862 0.3 . 1 . . . . 176 LEU CA . 26877 1 821 . 1 1 178 178 LEU CB C 13 41.893 0.3 . 1 . . . . 176 LEU CB . 26877 1 822 . 1 1 178 178 LEU N N 15 125.592 0.3 . 1 . . . . 176 LEU N . 26877 1 823 . 1 1 179 179 GLU H H 1 7.491 0.020 . 1 . . . . 177 GLU H . 26877 1 824 . 1 1 179 179 GLU C C 13 179.222 0.3 . 1 . . . . 177 GLU C . 26877 1 825 . 1 1 179 179 GLU CA C 13 60.329 0.3 . 1 . . . . 177 GLU CA . 26877 1 826 . 1 1 179 179 GLU CB C 13 29.212 0.3 . 1 . . . . 177 GLU CB . 26877 1 827 . 1 1 179 179 GLU N N 15 118.458 0.3 . 1 . . . . 177 GLU N . 26877 1 828 . 1 1 180 180 ILE H H 1 7.388 0.020 . 1 . . . . 178 ILE H . 26877 1 829 . 1 1 180 180 ILE C C 13 177.695 0.3 . 1 . . . . 178 ILE C . 26877 1 830 . 1 1 180 180 ILE CA C 13 65.142 0.3 . 1 . . . . 178 ILE CA . 26877 1 831 . 1 1 180 180 ILE CB C 13 38.527 0.3 . 1 . . . . 178 ILE CB . 26877 1 832 . 1 1 180 180 ILE N N 15 119.025 0.3 . 1 . . . . 178 ILE N . 26877 1 833 . 1 1 181 181 LEU H H 1 8.476 0.020 . 1 . . . . 179 LEU H . 26877 1 834 . 1 1 181 181 LEU C C 13 178.129 0.3 . 1 . . . . 179 LEU C . 26877 1 835 . 1 1 181 181 LEU CA C 13 58.645 0.3 . 1 . . . . 179 LEU CA . 26877 1 836 . 1 1 181 181 LEU CB C 13 41.893 0.3 . 1 . . . . 179 LEU CB . 26877 1 837 . 1 1 181 181 LEU N N 15 123.937 0.3 . 1 . . . . 179 LEU N . 26877 1 838 . 1 1 182 182 MET H H 1 7.134 0.020 . 1 . . . . 180 MET H . 26877 1 839 . 1 1 182 182 MET C C 13 176.350 0.3 . 1 . . . . 180 MET C . 26877 1 840 . 1 1 182 182 MET CA C 13 55.905 0.3 . 1 . . . . 180 MET CA . 26877 1 841 . 1 1 182 182 MET CB C 13 31.013 0.3 . 1 . . . . 180 MET CB . 26877 1 842 . 1 1 182 182 MET N N 15 113.163 0.3 . 1 . . . . 180 MET N . 26877 1 843 . 1 1 183 183 LYS H H 1 7.627 0.020 . 1 . . . . 181 LYS H . 26877 1 844 . 1 1 183 183 LYS C C 13 176.350 0.3 . 1 . . . . 181 LYS C . 26877 1 845 . 1 1 183 183 LYS CA C 13 58.723 0.3 . 1 . . . . 181 LYS CA . 26877 1 846 . 1 1 183 183 LYS CB C 13 34.927 0.3 . 1 . . . . 181 LYS CB . 26877 1 847 . 1 1 183 183 LYS N N 15 118.163 0.3 . 1 . . . . 181 LYS N . 26877 1 848 . 1 1 184 184 ASP H H 1 9.163 0.020 . 1 . . . . 182 ASP H . 26877 1 849 . 1 1 184 184 ASP C C 13 177.331 0.3 . 1 . . . . 182 ASP C . 26877 1 850 . 1 1 184 184 ASP CA C 13 54.887 0.3 . 1 . . . . 182 ASP CA . 26877 1 851 . 1 1 184 184 ASP CB C 13 44.790 0.3 . 1 . . . . 182 ASP CB . 26877 1 852 . 1 1 184 184 ASP N N 15 116.924 0.3 . 1 . . . . 182 ASP N . 26877 1 853 . 1 1 185 185 GLY H H 1 7.707 0.020 . 1 . . . . 183 GLY H . 26877 1 854 . 1 1 185 185 GLY C C 13 173.260 0.3 . 1 . . . . 183 GLY C . 26877 1 855 . 1 1 185 185 GLY CA C 13 44.641 0.3 . 1 . . . . 183 GLY CA . 26877 1 856 . 1 1 185 185 GLY N N 15 110.574 0.3 . 1 . . . . 183 GLY N . 26877 1 857 . 1 1 186 186 LEU H H 1 8.337 0.020 . 1 . . . . 184 LEU H . 26877 1 858 . 1 1 186 186 LEU C C 13 177.586 0.3 . 1 . . . . 184 LEU C . 26877 1 859 . 1 1 186 186 LEU CA C 13 58.410 0.3 . 1 . . . . 184 LEU CA . 26877 1 860 . 1 1 186 186 LEU CB C 13 42.206 0.3 . 1 . . . . 184 LEU CB . 26877 1 861 . 1 1 186 186 LEU N N 15 118.917 0.3 . 1 . . . . 184 LEU N . 26877 1 862 . 1 1 187 187 THR H H 1 8.294 0.020 . 1 . . . . 185 THR H . 26877 1 863 . 1 1 187 187 THR C C 13 176.422 0.3 . 1 . . . . 185 THR C . 26877 1 864 . 1 1 187 187 THR CA C 13 67.021 0.3 . 1 . . . . 185 THR CA . 26877 1 865 . 1 1 187 187 THR CB C 13 68.351 0.3 . 1 . . . . 185 THR CB . 26877 1 866 . 1 1 187 187 THR N N 15 115.744 0.3 . 1 . . . . 185 THR N . 26877 1 867 . 1 1 188 188 LYS H H 1 8.209 0.020 . 1 . . . . 186 LYS H . 26877 1 868 . 1 1 188 188 LYS C C 13 179.329 0.3 . 1 . . . . 186 LYS C . 26877 1 869 . 1 1 188 188 LYS CA C 13 59.547 0.3 . 1 . . . . 186 LYS CA . 26877 1 870 . 1 1 188 188 LYS CB C 13 32.343 0.3 . 1 . . . . 186 LYS CB . 26877 1 871 . 1 1 188 188 LYS N N 15 120.316 0.3 . 1 . . . . 186 LYS N . 26877 1 872 . 1 1 189 189 ALA H H 1 7.544 0.020 . 1 . . . . 187 ALA H . 26877 1 873 . 1 1 189 189 ALA C C 13 178.772 0.3 . 1 . . . . 187 ALA C . 26877 1 874 . 1 1 189 189 ALA CA C 13 55.905 0.3 . 1 . . . . 187 ALA CA . 26877 1 875 . 1 1 189 189 ALA CB C 13 19.584 0.3 . 1 . . . . 187 ALA CB . 26877 1 876 . 1 1 189 189 ALA N N 15 122.025 0.3 . 1 . . . . 187 ALA N . 26877 1 877 . 1 1 190 190 GLN H H 1 9.092 0.020 . 1 . . . . 188 GLN H . 26877 1 878 . 1 1 190 190 GLN C C 13 176.863 0.3 . 1 . . . . 188 GLN C . 26877 1 879 . 1 1 190 190 GLN CA C 13 59.036 0.3 . 1 . . . . 188 GLN CA . 26877 1 880 . 1 1 190 190 GLN CB C 13 29.056 0.3 . 1 . . . . 188 GLN CB . 26877 1 881 . 1 1 190 190 GLN N N 15 118.025 0.3 . 1 . . . . 188 GLN N . 26877 1 882 . 1 1 191 191 ASN H H 1 8.234 0.020 . 1 . . . . 189 ASN H . 26877 1 883 . 1 1 191 191 ASN C C 13 177.368 0.3 . 1 . . . . 189 ASN C . 26877 1 884 . 1 1 191 191 ASN CA C 13 55.670 0.3 . 1 . . . . 189 ASN CA . 26877 1 885 . 1 1 191 191 ASN CB C 13 37.979 0.3 . 1 . . . . 189 ASN CB . 26877 1 886 . 1 1 191 191 ASN N N 15 117.295 0.3 . 1 . . . . 189 ASN N . 26877 1 887 . 1 1 192 192 ARG H H 1 7.190 0.020 . 1 . . . . 190 ARG H . 26877 1 888 . 1 1 192 192 ARG C C 13 178.428 0.3 . 1 . . . . 190 ARG C . 26877 1 889 . 1 1 192 192 ARG CA C 13 59.036 0.3 . 1 . . . . 190 ARG CA . 26877 1 890 . 1 1 192 192 ARG CB C 13 29.760 0.3 . 1 . . . . 190 ARG CB . 26877 1 891 . 1 1 192 192 ARG N N 15 117.448 0.3 . 1 . . . . 190 ARG N . 26877 1 892 . 1 1 193 193 LEU H H 1 8.586 0.020 . 1 . . . . 191 LEU H . 26877 1 893 . 1 1 193 193 LEU C C 13 179.373 0.3 . 1 . . . . 191 LEU C . 26877 1 894 . 1 1 193 193 LEU CA C 13 58.645 0.3 . 1 . . . . 191 LEU CA . 26877 1 895 . 1 1 193 193 LEU CB C 13 41.502 0.3 . 1 . . . . 191 LEU CB . 26877 1 896 . 1 1 193 193 LEU N N 15 122.144 0.3 . 1 . . . . 191 LEU N . 26877 1 897 . 1 1 194 194 HIS H H 1 8.997 0.020 . 1 . . . . 192 HIS H . 26877 1 898 . 1 1 194 194 HIS C C 13 177.163 0.3 . 1 . . . . 192 HIS C . 26877 1 899 . 1 1 194 194 HIS CA C 13 57.001 0.3 . 1 . . . . 192 HIS CA . 26877 1 900 . 1 1 194 194 HIS CB C 13 28.351 0.3 . 1 . . . . 192 HIS CB . 26877 1 901 . 1 1 194 194 HIS N N 15 113.737 0.3 . 1 . . . . 192 HIS N . 26877 1 902 . 1 1 195 195 THR H H 1 7.609 0.020 . 1 . . . . 193 THR H . 26877 1 903 . 1 1 195 195 THR C C 13 174.053 0.3 . 1 . . . . 193 THR C . 26877 1 904 . 1 1 195 195 THR CA C 13 62.011 0.3 . 1 . . . . 193 THR CA . 26877 1 905 . 1 1 195 195 THR CB C 13 69.995 0.3 . 1 . . . . 193 THR CB . 26877 1 906 . 1 1 195 195 THR N N 15 110.322 0.3 . 1 . . . . 193 THR N . 26877 1 907 . 1 1 196 196 PHE H H 1 7.699 0.020 . 1 . . . . 194 PHE H . 26877 1 908 . 1 1 196 196 PHE C C 13 175.640 0.3 . 1 . . . . 194 PHE C . 26877 1 909 . 1 1 196 196 PHE CA C 13 59.271 0.3 . 1 . . . . 194 PHE CA . 26877 1 910 . 1 1 196 196 PHE CB C 13 39.858 0.3 . 1 . . . . 194 PHE CB . 26877 1 911 . 1 1 196 196 PHE N N 15 124.894 0.3 . 1 . . . . 194 PHE N . 26877 1 912 . 1 1 197 197 LYS H H 1 7.573 0.020 . 1 . . . . 195 LYS H . 26877 1 913 . 1 1 197 197 LYS C C 13 173.914 0.3 . 1 . . . . 195 LYS C . 26877 1 914 . 1 1 197 197 LYS CA C 13 56.453 0.3 . 1 . . . . 195 LYS CA . 26877 1 915 . 1 1 197 197 LYS CB C 13 34.927 0.3 . 1 . . . . 195 LYS CB . 26877 1 916 . 1 1 197 197 LYS N N 15 128.713 0.3 . 1 . . . . 195 LYS N . 26877 1 917 . 1 1 198 198 ALA H H 1 8.300 0.020 . 1 . . . . 196 ALA H . 26877 1 918 . 1 1 198 198 ALA C C 13 175.619 0.3 . 1 . . . . 196 ALA C . 26877 1 919 . 1 1 198 198 ALA CA C 13 52.148 0.3 . 1 . . . . 196 ALA CA . 26877 1 920 . 1 1 198 198 ALA CB C 13 20.602 0.3 . 1 . . . . 196 ALA CB . 26877 1 921 . 1 1 198 198 ALA N N 15 129.707 0.3 . 1 . . . . 196 ALA N . 26877 1 922 . 1 1 199 199 GLU H H 1 7.820 0.020 . 1 . . . . 197 GLU H . 26877 1 923 . 1 1 199 199 GLU C C 13 180.616 0.3 . 1 . . . . 197 GLU C . 26877 1 924 . 1 1 199 199 GLU CA C 13 57.471 0.3 . 1 . . . . 197 GLU CA . 26877 1 925 . 1 1 199 199 GLU CB C 13 32.500 0.3 . 1 . . . . 197 GLU CB . 26877 1 926 . 1 1 199 199 GLU N N 15 125.451 0.3 . 1 . . . . 197 GLU N . 26877 1 stop_ save_