data_18733 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18733 _Entry.Title ; NMR structure of the protein NB7890A from Shewanella sp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-21 _Entry.Accession_date 2012-09-21 _Entry.Last_release_date 2012-10-22 _Entry.Original_release_date 2012-10-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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.Entry_ID 1 Pedro Serrano . . . 18733 2 Michael Geralt . . . 18733 3 Bill Pedrini . . . 18733 4 Kurt Wuthrich . . . 18733 5 Reto Horst . . . 18733 6 Wojtek Augustyniak . . . 18733 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 18733 2 'not applicable' 'not applicable' . 18733 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DUF3144 . 18733 Homodimer . 18733 PF11342 . 18733 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18733 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 18733 '15N chemical shifts' 115 18733 '1H chemical shifts' 673 18733 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 . . 2012-10-22 2012-09-21 original author . 18733 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18732 NP_390345.1 18733 PDB 2LYY 'BMRB Entry Tracking System' 18733 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18733 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the protein NB7890A from Shewanella sp' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Pedro Serrano . . . 18733 1 2 Kurt Wuthrich . . . 18733 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18733 _Assembly.ID 1 _Assembly.Name NB7890A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 NB7890A 1 $NB7890A A . yes native no no . . . 18733 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NB7890A _Entity.Sf_category entity _Entity.Sf_framecode NB7890A _Entity.Entry_ID 18733 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NB7890A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNNENAFYARATELIKLANQ QNQNTEIQTGEVSASFMWAL ARYNAWFGSTSFETKEQMQA KKQEMMDYYMDRYKEMLDAN MEDYIENFDHYRATQKMEDY IENFDHYRATQKSNNENAFY ARATELIKLANQQNQNTEIQ TGEVSASFMWALARYNAWFG STSFETKEQMQAKKQEMMDY YMDRYKEMLDANMEDYIENF DHYRATQK ; _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 208 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22935.424 _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 SER . 18733 1 2 2 ASN . 18733 1 3 3 ASN . 18733 1 4 4 GLU . 18733 1 5 5 ASN . 18733 1 6 6 ALA . 18733 1 7 7 PHE . 18733 1 8 8 TYR . 18733 1 9 9 ALA . 18733 1 10 10 ARG . 18733 1 11 11 ALA . 18733 1 12 12 THR . 18733 1 13 13 GLU . 18733 1 14 14 LEU . 18733 1 15 15 ILE . 18733 1 16 16 LYS . 18733 1 17 17 LEU . 18733 1 18 18 ALA . 18733 1 19 19 ASN . 18733 1 20 20 GLN . 18733 1 21 21 GLN . 18733 1 22 22 ASN . 18733 1 23 23 GLN . 18733 1 24 24 ASN . 18733 1 25 25 THR . 18733 1 26 26 GLU . 18733 1 27 27 ILE . 18733 1 28 28 GLN . 18733 1 29 29 THR . 18733 1 30 30 GLY . 18733 1 31 31 GLU . 18733 1 32 32 VAL . 18733 1 33 33 SER . 18733 1 34 34 ALA . 18733 1 35 35 SER . 18733 1 36 36 PHE . 18733 1 37 37 MET . 18733 1 38 38 TRP . 18733 1 39 39 ALA . 18733 1 40 40 LEU . 18733 1 41 41 ALA . 18733 1 42 42 ARG . 18733 1 43 43 TYR . 18733 1 44 44 ASN . 18733 1 45 45 ALA . 18733 1 46 46 TRP . 18733 1 47 47 PHE . 18733 1 48 48 GLY . 18733 1 49 49 SER . 18733 1 50 50 THR . 18733 1 51 51 SER . 18733 1 52 52 PHE . 18733 1 53 53 GLU . 18733 1 54 54 THR . 18733 1 55 55 LYS . 18733 1 56 56 GLU . 18733 1 57 57 GLN . 18733 1 58 58 MET . 18733 1 59 59 GLN . 18733 1 60 60 ALA . 18733 1 61 61 LYS . 18733 1 62 62 LYS . 18733 1 63 63 GLN . 18733 1 64 64 GLU . 18733 1 65 65 MET . 18733 1 66 66 MET . 18733 1 67 67 ASP . 18733 1 68 68 TYR . 18733 1 69 69 TYR . 18733 1 70 70 MET . 18733 1 71 71 ASP . 18733 1 72 72 ARG . 18733 1 73 73 TYR . 18733 1 74 74 LYS . 18733 1 75 75 GLU . 18733 1 76 76 MET . 18733 1 77 77 LEU . 18733 1 78 78 ASP . 18733 1 79 79 ALA . 18733 1 80 80 ASN . 18733 1 81 81 MET . 18733 1 82 82 GLU . 18733 1 83 83 ASP . 18733 1 84 84 TYR . 18733 1 85 85 ILE . 18733 1 86 86 GLU . 18733 1 87 87 ASN . 18733 1 88 88 PHE . 18733 1 89 89 ASP . 18733 1 90 90 HIS . 18733 1 91 91 TYR . 18733 1 92 92 ARG . 18733 1 93 93 ALA . 18733 1 94 94 THR . 18733 1 95 95 GLN . 18733 1 96 96 LYS . 18733 1 97 97 MET . 18733 1 98 98 GLU . 18733 1 99 99 ASP . 18733 1 100 100 TYR . 18733 1 101 101 ILE . 18733 1 102 102 GLU . 18733 1 103 103 ASN . 18733 1 104 104 PHE . 18733 1 105 105 ASP . 18733 1 106 106 HIS . 18733 1 107 107 TYR . 18733 1 108 108 ARG . 18733 1 109 109 ALA . 18733 1 110 110 THR . 18733 1 111 111 GLN . 18733 1 112 112 LYS . 18733 1 113 113 SER . 18733 1 114 114 ASN . 18733 1 115 115 ASN . 18733 1 116 116 GLU . 18733 1 117 117 ASN . 18733 1 118 118 ALA . 18733 1 119 119 PHE . 18733 1 120 120 TYR . 18733 1 121 121 ALA . 18733 1 122 122 ARG . 18733 1 123 123 ALA . 18733 1 124 124 THR . 18733 1 125 125 GLU . 18733 1 126 126 LEU . 18733 1 127 127 ILE . 18733 1 128 128 LYS . 18733 1 129 129 LEU . 18733 1 130 130 ALA . 18733 1 131 131 ASN . 18733 1 132 132 GLN . 18733 1 133 133 GLN . 18733 1 134 134 ASN . 18733 1 135 135 GLN . 18733 1 136 136 ASN . 18733 1 137 137 THR . 18733 1 138 138 GLU . 18733 1 139 139 ILE . 18733 1 140 140 GLN . 18733 1 141 141 THR . 18733 1 142 142 GLY . 18733 1 143 143 GLU . 18733 1 144 144 VAL . 18733 1 145 145 SER . 18733 1 146 146 ALA . 18733 1 147 147 SER . 18733 1 148 148 PHE . 18733 1 149 149 MET . 18733 1 150 150 TRP . 18733 1 151 151 ALA . 18733 1 152 152 LEU . 18733 1 153 153 ALA . 18733 1 154 154 ARG . 18733 1 155 155 TYR . 18733 1 156 156 ASN . 18733 1 157 157 ALA . 18733 1 158 158 TRP . 18733 1 159 159 PHE . 18733 1 160 160 GLY . 18733 1 161 161 SER . 18733 1 162 162 THR . 18733 1 163 163 SER . 18733 1 164 164 PHE . 18733 1 165 165 GLU . 18733 1 166 166 THR . 18733 1 167 167 LYS . 18733 1 168 168 GLU . 18733 1 169 169 GLN . 18733 1 170 170 MET . 18733 1 171 171 GLN . 18733 1 172 172 ALA . 18733 1 173 173 LYS . 18733 1 174 174 LYS . 18733 1 175 175 GLN . 18733 1 176 176 GLU . 18733 1 177 177 MET . 18733 1 178 178 MET . 18733 1 179 179 ASP . 18733 1 180 180 TYR . 18733 1 181 181 TYR . 18733 1 182 182 MET . 18733 1 183 183 ASP . 18733 1 184 184 ARG . 18733 1 185 185 TYR . 18733 1 186 186 LYS . 18733 1 187 187 GLU . 18733 1 188 188 MET . 18733 1 189 189 LEU . 18733 1 190 190 ASP . 18733 1 191 191 ALA . 18733 1 192 192 ASN . 18733 1 193 193 MET . 18733 1 194 194 GLU . 18733 1 195 195 ASP . 18733 1 196 196 TYR . 18733 1 197 197 ILE . 18733 1 198 198 GLU . 18733 1 199 199 ASN . 18733 1 200 200 PHE . 18733 1 201 201 ASP . 18733 1 202 202 HIS . 18733 1 203 203 TYR . 18733 1 204 204 ARG . 18733 1 205 205 ALA . 18733 1 206 206 THR . 18733 1 207 207 GLN . 18733 1 208 208 LYS . 18733 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 . SER 1 1 18733 1 . ASN 2 2 18733 1 . ASN 3 3 18733 1 . GLU 4 4 18733 1 . ASN 5 5 18733 1 . ALA 6 6 18733 1 . PHE 7 7 18733 1 . TYR 8 8 18733 1 . ALA 9 9 18733 1 . ARG 10 10 18733 1 . ALA 11 11 18733 1 . THR 12 12 18733 1 . GLU 13 13 18733 1 . LEU 14 14 18733 1 . ILE 15 15 18733 1 . LYS 16 16 18733 1 . LEU 17 17 18733 1 . ALA 18 18 18733 1 . ASN 19 19 18733 1 . GLN 20 20 18733 1 . GLN 21 21 18733 1 . ASN 22 22 18733 1 . GLN 23 23 18733 1 . ASN 24 24 18733 1 . THR 25 25 18733 1 . GLU 26 26 18733 1 . ILE 27 27 18733 1 . GLN 28 28 18733 1 . THR 29 29 18733 1 . GLY 30 30 18733 1 . GLU 31 31 18733 1 . VAL 32 32 18733 1 . SER 33 33 18733 1 . ALA 34 34 18733 1 . SER 35 35 18733 1 . PHE 36 36 18733 1 . MET 37 37 18733 1 . TRP 38 38 18733 1 . ALA 39 39 18733 1 . LEU 40 40 18733 1 . ALA 41 41 18733 1 . ARG 42 42 18733 1 . TYR 43 43 18733 1 . ASN 44 44 18733 1 . ALA 45 45 18733 1 . TRP 46 46 18733 1 . PHE 47 47 18733 1 . GLY 48 48 18733 1 . SER 49 49 18733 1 . THR 50 50 18733 1 . SER 51 51 18733 1 . PHE 52 52 18733 1 . GLU 53 53 18733 1 . THR 54 54 18733 1 . LYS 55 55 18733 1 . GLU 56 56 18733 1 . GLN 57 57 18733 1 . MET 58 58 18733 1 . GLN 59 59 18733 1 . ALA 60 60 18733 1 . LYS 61 61 18733 1 . LYS 62 62 18733 1 . GLN 63 63 18733 1 . GLU 64 64 18733 1 . MET 65 65 18733 1 . MET 66 66 18733 1 . ASP 67 67 18733 1 . TYR 68 68 18733 1 . TYR 69 69 18733 1 . MET 70 70 18733 1 . ASP 71 71 18733 1 . ARG 72 72 18733 1 . TYR 73 73 18733 1 . LYS 74 74 18733 1 . GLU 75 75 18733 1 . MET 76 76 18733 1 . LEU 77 77 18733 1 . ASP 78 78 18733 1 . ALA 79 79 18733 1 . ASN 80 80 18733 1 . MET 81 81 18733 1 . GLU 82 82 18733 1 . ASP 83 83 18733 1 . TYR 84 84 18733 1 . ILE 85 85 18733 1 . GLU 86 86 18733 1 . ASN 87 87 18733 1 . PHE 88 88 18733 1 . ASP 89 89 18733 1 . HIS 90 90 18733 1 . TYR 91 91 18733 1 . ARG 92 92 18733 1 . ALA 93 93 18733 1 . THR 94 94 18733 1 . GLN 95 95 18733 1 . LYS 96 96 18733 1 . MET 97 97 18733 1 . GLU 98 98 18733 1 . ASP 99 99 18733 1 . TYR 100 100 18733 1 . ILE 101 101 18733 1 . GLU 102 102 18733 1 . ASN 103 103 18733 1 . PHE 104 104 18733 1 . ASP 105 105 18733 1 . HIS 106 106 18733 1 . TYR 107 107 18733 1 . ARG 108 108 18733 1 . ALA 109 109 18733 1 . THR 110 110 18733 1 . GLN 111 111 18733 1 . LYS 112 112 18733 1 . SER 113 113 18733 1 . ASN 114 114 18733 1 . ASN 115 115 18733 1 . GLU 116 116 18733 1 . ASN 117 117 18733 1 . ALA 118 118 18733 1 . PHE 119 119 18733 1 . TYR 120 120 18733 1 . ALA 121 121 18733 1 . ARG 122 122 18733 1 . ALA 123 123 18733 1 . THR 124 124 18733 1 . GLU 125 125 18733 1 . LEU 126 126 18733 1 . ILE 127 127 18733 1 . LYS 128 128 18733 1 . LEU 129 129 18733 1 . ALA 130 130 18733 1 . ASN 131 131 18733 1 . GLN 132 132 18733 1 . GLN 133 133 18733 1 . ASN 134 134 18733 1 . GLN 135 135 18733 1 . ASN 136 136 18733 1 . THR 137 137 18733 1 . GLU 138 138 18733 1 . ILE 139 139 18733 1 . GLN 140 140 18733 1 . THR 141 141 18733 1 . GLY 142 142 18733 1 . GLU 143 143 18733 1 . VAL 144 144 18733 1 . SER 145 145 18733 1 . ALA 146 146 18733 1 . SER 147 147 18733 1 . PHE 148 148 18733 1 . MET 149 149 18733 1 . TRP 150 150 18733 1 . ALA 151 151 18733 1 . LEU 152 152 18733 1 . ALA 153 153 18733 1 . ARG 154 154 18733 1 . TYR 155 155 18733 1 . ASN 156 156 18733 1 . ALA 157 157 18733 1 . TRP 158 158 18733 1 . PHE 159 159 18733 1 . GLY 160 160 18733 1 . SER 161 161 18733 1 . THR 162 162 18733 1 . SER 163 163 18733 1 . PHE 164 164 18733 1 . GLU 165 165 18733 1 . THR 166 166 18733 1 . LYS 167 167 18733 1 . GLU 168 168 18733 1 . GLN 169 169 18733 1 . MET 170 170 18733 1 . GLN 171 171 18733 1 . ALA 172 172 18733 1 . LYS 173 173 18733 1 . LYS 174 174 18733 1 . GLN 175 175 18733 1 . GLU 176 176 18733 1 . MET 177 177 18733 1 . MET 178 178 18733 1 . ASP 179 179 18733 1 . TYR 180 180 18733 1 . TYR 181 181 18733 1 . MET 182 182 18733 1 . ASP 183 183 18733 1 . ARG 184 184 18733 1 . TYR 185 185 18733 1 . LYS 186 186 18733 1 . GLU 187 187 18733 1 . MET 188 188 18733 1 . LEU 189 189 18733 1 . ASP 190 190 18733 1 . ALA 191 191 18733 1 . ASN 192 192 18733 1 . MET 193 193 18733 1 . GLU 194 194 18733 1 . ASP 195 195 18733 1 . TYR 196 196 18733 1 . ILE 197 197 18733 1 . GLU 198 198 18733 1 . ASN 199 199 18733 1 . PHE 200 200 18733 1 . ASP 201 201 18733 1 . HIS 202 202 18733 1 . TYR 203 203 18733 1 . ARG 204 204 18733 1 . ALA 205 205 18733 1 . THR 206 206 18733 1 . GLN 207 207 18733 1 . LYS 208 208 18733 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 18733 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NB7890A . 50422 organism . 'Shewanella sp' g-proteobacteria . . Bacteria . Shewanella sp . . . . . . . . . . . . . . . . . . . . . 18733 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 18733 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NB7890A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pSpeedET . . . . . . 18733 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18733 _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 NB7890A '[U-98% 13C; U-98% 15N]' . . 1 $NB7890A . . 1.2 . . mM . . . . 18733 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18733 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18733 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18733 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18733 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18733 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18733 _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' 0.220 . M 18733 1 pH 6.5 . pH 18733 1 pressure 1 . atm 18733 1 temperature 298 . K 18733 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18733 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 18733 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18733 1 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 18733 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18733 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18733 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18733 1 2 spectrometer_2 Bruker Avance . 800 . . . 18733 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 18733 _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 . . . . . . . . . . . . . . . . . . . . . 18733 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18733 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18733 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18733 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18733 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18733 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18733 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 18733 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18733 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18733 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18733 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 18733 _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' . . . 18733 1 2 '3D 1H-13C NOESY aliphatic' . . . 18733 1 3 '3D 1H-13C NOESY aromatic' . . . 18733 1 4 '3D 1H-15N NOESY' . . . 18733 1 5 '3D HNCA' . . . 18733 1 6 '3D HNCACB' . . . 18733 1 7 '3D CBCA(CO)NH' . . . 18733 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 2 2 ASN HA H 1 4.590 0.009 . 1 . . . A 2 ASN HA . 18733 1 2 . 1 1 2 2 ASN HB2 H 1 2.699 0.009 . 1 . . . A 2 ASN HB2 . 18733 1 3 . 1 1 2 2 ASN HB3 H 1 2.647 0.009 . 1 . . . A 2 ASN HB3 . 18733 1 4 . 1 1 2 2 ASN HD21 H 1 7.519 0.009 . 1 . . . A 2 ASN HD21 . 18733 1 5 . 1 1 2 2 ASN HD22 H 1 6.827 0.009 . 1 . . . A 2 ASN HD22 . 18733 1 6 . 1 1 2 2 ASN CA C 13 53.554 0.190 . 1 . . . A 2 ASN CA . 18733 1 7 . 1 1 2 2 ASN CB C 13 38.650 0.190 . 1 . . . A 2 ASN CB . 18733 1 8 . 1 1 2 2 ASN ND2 N 15 112.838 0.120 . 1 . . . A 2 ASN ND2 . 18733 1 9 . 1 1 3 3 ASN HA H 1 4.526 0.009 . 1 . . . A 3 ASN HA . 18733 1 10 . 1 1 3 3 ASN HB2 H 1 2.639 0.009 . 1 . . . A 3 ASN HB2 . 18733 1 11 . 1 1 3 3 ASN HB3 H 1 2.562 0.009 . 1 . . . A 3 ASN HB3 . 18733 1 12 . 1 1 3 3 ASN HD21 H 1 7.422 0.009 . 1 . . . A 3 ASN HD21 . 18733 1 13 . 1 1 3 3 ASN HD22 H 1 6.772 0.009 . 1 . . . A 3 ASN HD22 . 18733 1 14 . 1 1 3 3 ASN CA C 13 53.720 0.190 . 1 . . . A 3 ASN CA . 18733 1 15 . 1 1 3 3 ASN CB C 13 38.473 0.190 . 1 . . . A 3 ASN CB . 18733 1 16 . 1 1 3 3 ASN ND2 N 15 112.831 0.120 . 1 . . . A 3 ASN ND2 . 18733 1 17 . 1 1 4 4 GLU H H 1 8.362 0.009 . 1 . . . A 4 GLU H . 18733 1 18 . 1 1 4 4 GLU HA H 1 4.086 0.009 . 1 . . . A 4 GLU HA . 18733 1 19 . 1 1 4 4 GLU HB2 H 1 1.974 0.009 . 1 . . . A 4 GLU HB2 . 18733 1 20 . 1 1 4 4 GLU HB3 H 1 1.884 0.009 . 1 . . . A 4 GLU HB3 . 18733 1 21 . 1 1 4 4 GLU HG2 H 1 2.121 0.009 . 1 . . . A 4 GLU HG2 . 18733 1 22 . 1 1 4 4 GLU HG3 H 1 2.121 0.009 . 1 . . . A 4 GLU QG . 18733 1 23 . 1 1 4 4 GLU CA C 13 57.656 0.190 . 1 . . . A 4 GLU CA . 18733 1 24 . 1 1 4 4 GLU CB C 13 29.649 0.190 . 1 . . . A 4 GLU CB . 18733 1 25 . 1 1 4 4 GLU CG C 13 36.398 0.190 . 1 . . . A 4 GLU CG . 18733 1 26 . 1 1 4 4 GLU N N 15 121.638 0.120 . 1 . . . A 4 GLU N . 18733 1 27 . 1 1 5 5 ASN H H 1 8.312 0.009 . 1 . . . A 5 ASN H . 18733 1 28 . 1 1 5 5 ASN HA H 1 4.531 0.009 . 1 . . . A 5 ASN HA . 18733 1 29 . 1 1 5 5 ASN HB2 H 1 2.824 0.009 . 1 . . . A 5 ASN HB2 . 18733 1 30 . 1 1 5 5 ASN HB3 H 1 2.824 0.009 . 1 . . . A 5 ASN QB . 18733 1 31 . 1 1 5 5 ASN HD21 H 1 7.612 0.009 . 1 . . . A 5 ASN HD21 . 18733 1 32 . 1 1 5 5 ASN HD22 H 1 6.830 0.009 . 1 . . . A 5 ASN HD22 . 18733 1 33 . 1 1 5 5 ASN CA C 13 55.114 0.190 . 1 . . . A 5 ASN CA . 18733 1 34 . 1 1 5 5 ASN CB C 13 38.417 0.190 . 1 . . . A 5 ASN CB . 18733 1 35 . 1 1 5 5 ASN N N 15 118.543 0.120 . 1 . . . A 5 ASN N . 18733 1 36 . 1 1 5 5 ASN ND2 N 15 112.383 0.120 . 1 . . . A 5 ASN ND2 . 18733 1 37 . 1 1 6 6 ALA H H 1 8.263 0.009 . 1 . . . A 6 ALA H . 18733 1 38 . 1 1 6 6 ALA HA H 1 4.057 0.009 . 1 . . . A 6 ALA HA . 18733 1 39 . 1 1 6 6 ALA HB1 H 1 1.340 0.009 . 1 . . . A 6 ALA HB1 . 18733 1 40 . 1 1 6 6 ALA HB2 H 1 1.340 0.009 . 1 . . . A 6 ALA HB2 . 18733 1 41 . 1 1 6 6 ALA HB3 H 1 1.340 0.009 . 1 . . . A 6 ALA HB3 . 18733 1 42 . 1 1 6 6 ALA CA C 13 55.266 0.190 . 1 . . . A 6 ALA CA . 18733 1 43 . 1 1 6 6 ALA CB C 13 18.099 0.190 . 1 . . . A 6 ALA CB . 18733 1 44 . 1 1 6 6 ALA N N 15 123.531 0.120 . 1 . . . A 6 ALA N . 18733 1 45 . 1 1 7 7 PHE H H 1 7.693 0.009 . 1 . . . A 7 PHE H . 18733 1 46 . 1 1 7 7 PHE HA H 1 3.777 0.009 . 1 . . . A 7 PHE HA . 18733 1 47 . 1 1 7 7 PHE HB2 H 1 2.863 0.009 . 1 . . . A 7 PHE HB2 . 18733 1 48 . 1 1 7 7 PHE HB3 H 1 2.863 0.009 . 1 . . . A 7 PHE QB . 18733 1 49 . 1 1 7 7 PHE HD1 H 1 6.201 0.009 . 1 . . . A 7 PHE HD1 . 18733 1 50 . 1 1 7 7 PHE HD2 H 1 6.201 0.009 . 1 . . . A 7 PHE HD2 . 18733 1 51 . 1 1 7 7 PHE HE1 H 1 6.436 0.009 . 1 . . . A 7 PHE HE1 . 18733 1 52 . 1 1 7 7 PHE HE2 H 1 6.436 0.009 . 1 . . . A 7 PHE HE2 . 18733 1 53 . 1 1 7 7 PHE HZ H 1 6.839 0.009 . 1 . . . A 7 PHE HZ . 18733 1 54 . 1 1 7 7 PHE CA C 13 61.179 0.190 . 1 . . . A 7 PHE CA . 18733 1 55 . 1 1 7 7 PHE CB C 13 38.947 0.190 . 1 . . . A 7 PHE CB . 18733 1 56 . 1 1 7 7 PHE CD1 C 13 131.618 0.190 . 1 . . . A 7 PHE CD1 . 18733 1 57 . 1 1 7 7 PHE CD2 C 13 131.618 0.190 . 1 . . . A 7 PHE CD2 . 18733 1 58 . 1 1 7 7 PHE CE1 C 13 130.469 0.190 . 1 . . . A 7 PHE CE1 . 18733 1 59 . 1 1 7 7 PHE CE2 C 13 130.469 0.190 . 1 . . . A 7 PHE CE2 . 18733 1 60 . 1 1 7 7 PHE CZ C 13 129.200 0.190 . 1 . . . A 7 PHE CZ . 18733 1 61 . 1 1 7 7 PHE N N 15 119.588 0.120 . 1 . . . A 7 PHE N . 18733 1 62 . 1 1 8 8 TYR H H 1 7.503 0.009 . 1 . . . A 8 TYR H . 18733 1 63 . 1 1 8 8 TYR HA H 1 4.007 0.009 . 1 . . . A 8 TYR HA . 18733 1 64 . 1 1 8 8 TYR HB2 H 1 3.150 0.009 . 1 . . . A 8 TYR HB2 . 18733 1 65 . 1 1 8 8 TYR HB3 H 1 2.782 0.009 . 1 . . . A 8 TYR HB3 . 18733 1 66 . 1 1 8 8 TYR HD1 H 1 6.923 0.009 . 1 . . . A 8 TYR HD1 . 18733 1 67 . 1 1 8 8 TYR HD2 H 1 6.923 0.009 . 1 . . . A 8 TYR HD2 . 18733 1 68 . 1 1 8 8 TYR HE1 H 1 6.209 0.009 . 1 . . . A 8 TYR HE1 . 18733 1 69 . 1 1 8 8 TYR HE2 H 1 6.209 0.009 . 1 . . . A 8 TYR HE2 . 18733 1 70 . 1 1 8 8 TYR CA C 13 61.117 0.190 . 1 . . . A 8 TYR CA . 18733 1 71 . 1 1 8 8 TYR CB C 13 37.370 0.190 . 1 . . . A 8 TYR CB . 18733 1 72 . 1 1 8 8 TYR CD1 C 13 132.803 0.190 . 1 . . . A 8 TYR CD1 . 18733 1 73 . 1 1 8 8 TYR CD2 C 13 132.803 0.190 . 1 . . . A 8 TYR CD2 . 18733 1 74 . 1 1 8 8 TYR CE1 C 13 118.179 0.190 . 1 . . . A 8 TYR CE1 . 18733 1 75 . 1 1 8 8 TYR CE2 C 13 118.179 0.190 . 1 . . . A 8 TYR CE2 . 18733 1 76 . 1 1 8 8 TYR N N 15 116.300 0.120 . 1 . . . A 8 TYR N . 18733 1 77 . 1 1 9 9 ALA H H 1 8.334 0.009 . 1 . . . A 9 ALA H . 18733 1 78 . 1 1 9 9 ALA HA H 1 4.074 0.009 . 1 . . . A 9 ALA HA . 18733 1 79 . 1 1 9 9 ALA HB1 H 1 1.417 0.009 . 1 . . . A 9 ALA HB1 . 18733 1 80 . 1 1 9 9 ALA HB2 H 1 1.417 0.009 . 1 . . . A 9 ALA HB2 . 18733 1 81 . 1 1 9 9 ALA HB3 H 1 1.417 0.009 . 1 . . . A 9 ALA HB3 . 18733 1 82 . 1 1 9 9 ALA CA C 13 55.415 0.190 . 1 . . . A 9 ALA CA . 18733 1 83 . 1 1 9 9 ALA CB C 13 17.797 0.190 . 1 . . . A 9 ALA CB . 18733 1 84 . 1 1 9 9 ALA N N 15 124.516 0.120 . 1 . . . A 9 ALA N . 18733 1 85 . 1 1 10 10 ARG H H 1 8.089 0.009 . 1 . . . A 10 ARG H . 18733 1 86 . 1 1 10 10 ARG HA H 1 3.857 0.009 . 1 . . . A 10 ARG HA . 18733 1 87 . 1 1 10 10 ARG HB2 H 1 1.891 0.009 . 1 . . . A 10 ARG HB2 . 18733 1 88 . 1 1 10 10 ARG HB3 H 1 1.399 0.009 . 1 . . . A 10 ARG HB3 . 18733 1 89 . 1 1 10 10 ARG HG2 H 1 2.059 0.009 . 1 . . . A 10 ARG HG2 . 18733 1 90 . 1 1 10 10 ARG HG3 H 1 0.982 0.009 . 1 . . . A 10 ARG HG3 . 18733 1 91 . 1 1 10 10 ARG HD2 H 1 2.743 0.009 . 1 . . . A 10 ARG HD2 . 18733 1 92 . 1 1 10 10 ARG HD3 H 1 3.245 0.009 . 1 . . . A 10 ARG HD3 . 18733 1 93 . 1 1 10 10 ARG HE H 1 7.920 0.009 . 1 . . . A 10 ARG HE . 18733 1 94 . 1 1 10 10 ARG CA C 13 60.070 0.190 . 1 . . . A 10 ARG CA . 18733 1 95 . 1 1 10 10 ARG CB C 13 31.179 0.190 . 1 . . . A 10 ARG CB . 18733 1 96 . 1 1 10 10 ARG CG C 13 28.654 0.190 . 1 . . . A 10 ARG CG . 18733 1 97 . 1 1 10 10 ARG CD C 13 43.793 0.190 . 1 . . . A 10 ARG CD . 18733 1 98 . 1 1 10 10 ARG N N 15 118.255 0.120 . 1 . . . A 10 ARG N . 18733 1 99 . 1 1 10 10 ARG NE N 15 82.710 0.120 . 1 . . . A 10 ARG NE . 18733 1 100 . 1 1 11 11 ALA H H 1 7.484 0.009 . 1 . . . A 11 ALA H . 18733 1 101 . 1 1 11 11 ALA HA H 1 4.079 0.009 . 1 . . . A 11 ALA HA . 18733 1 102 . 1 1 11 11 ALA HB1 H 1 1.672 0.009 . 1 . . . A 11 ALA HB1 . 18733 1 103 . 1 1 11 11 ALA HB2 H 1 1.672 0.009 . 1 . . . A 11 ALA HB2 . 18733 1 104 . 1 1 11 11 ALA HB3 H 1 1.672 0.009 . 1 . . . A 11 ALA HB3 . 18733 1 105 . 1 1 11 11 ALA CA C 13 55.152 0.190 . 1 . . . A 11 ALA CA . 18733 1 106 . 1 1 11 11 ALA CB C 13 19.072 0.190 . 1 . . . A 11 ALA CB . 18733 1 107 . 1 1 11 11 ALA N N 15 119.258 0.120 . 1 . . . A 11 ALA N . 18733 1 108 . 1 1 12 12 THR H H 1 8.620 0.009 . 1 . . . A 12 THR H . 18733 1 109 . 1 1 12 12 THR HA H 1 3.761 0.009 . 1 . . . A 12 THR HA . 18733 1 110 . 1 1 12 12 THR HB H 1 4.254 0.009 . 1 . . . A 12 THR HB . 18733 1 111 . 1 1 12 12 THR HG21 H 1 1.139 0.009 . 1 . . . A 12 THR HG21 . 18733 1 112 . 1 1 12 12 THR HG22 H 1 1.139 0.009 . 1 . . . A 12 THR HG22 . 18733 1 113 . 1 1 12 12 THR HG23 H 1 1.139 0.009 . 1 . . . A 12 THR HG23 . 18733 1 114 . 1 1 12 12 THR CA C 13 67.028 0.190 . 1 . . . A 12 THR CA . 18733 1 115 . 1 1 12 12 THR CB C 13 68.661 0.190 . 1 . . . A 12 THR CB . 18733 1 116 . 1 1 12 12 THR CG2 C 13 21.655 0.190 . 1 . . . A 12 THR CG2 . 18733 1 117 . 1 1 12 12 THR N N 15 114.669 0.120 . 1 . . . A 12 THR N . 18733 1 118 . 1 1 13 13 GLU H H 1 7.599 0.009 . 1 . . . A 13 GLU H . 18733 1 119 . 1 1 13 13 GLU HA H 1 3.782 0.009 . 1 . . . A 13 GLU HA . 18733 1 120 . 1 1 13 13 GLU HB2 H 1 1.850 0.009 . 1 . . . A 13 GLU HB2 . 18733 1 121 . 1 1 13 13 GLU HB3 H 1 1.850 0.009 . 1 . . . A 13 GLU QB . 18733 1 122 . 1 1 13 13 GLU HG2 H 1 2.333 0.009 . 1 . . . A 13 GLU HG2 . 18733 1 123 . 1 1 13 13 GLU HG3 H 1 2.129 0.009 . 1 . . . A 13 GLU HG3 . 18733 1 124 . 1 1 13 13 GLU CA C 13 59.781 0.190 . 1 . . . A 13 GLU CA . 18733 1 125 . 1 1 13 13 GLU CB C 13 29.713 0.190 . 1 . . . A 13 GLU CB . 18733 1 126 . 1 1 13 13 GLU CG C 13 36.602 0.190 . 1 . . . A 13 GLU CG . 18733 1 127 . 1 1 13 13 GLU N N 15 120.838 0.120 . 1 . . . A 13 GLU N . 18733 1 128 . 1 1 14 14 LEU H H 1 7.026 0.009 . 1 . . . A 14 LEU H . 18733 1 129 . 1 1 14 14 LEU HA H 1 3.616 0.009 . 1 . . . A 14 LEU HA . 18733 1 130 . 1 1 14 14 LEU HB2 H 1 1.010 0.009 . 1 . . . A 14 LEU HB2 . 18733 1 131 . 1 1 14 14 LEU HB3 H 1 1.890 0.009 . 1 . . . A 14 LEU HB3 . 18733 1 132 . 1 1 14 14 LEU HG H 1 0.459 0.009 . 1 . . . A 14 LEU HG . 18733 1 133 . 1 1 14 14 LEU HD11 H 1 0.122 0.009 . 1 . . . A 14 LEU HD11 . 18733 1 134 . 1 1 14 14 LEU HD12 H 1 0.122 0.009 . 1 . . . A 14 LEU HD12 . 18733 1 135 . 1 1 14 14 LEU HD13 H 1 0.122 0.009 . 1 . . . A 14 LEU HD13 . 18733 1 136 . 1 1 14 14 LEU HD21 H 1 0.122 0.009 . 1 . . . A 14 LEU HD21 . 18733 1 137 . 1 1 14 14 LEU HD22 H 1 0.122 0.009 . 1 . . . A 14 LEU HD22 . 18733 1 138 . 1 1 14 14 LEU HD23 H 1 0.122 0.009 . 1 . . . A 14 LEU HD23 . 18733 1 139 . 1 1 14 14 LEU CA C 13 58.363 0.190 . 1 . . . A 14 LEU CA . 18733 1 140 . 1 1 14 14 LEU CB C 13 42.109 0.190 . 1 . . . A 14 LEU CB . 18733 1 141 . 1 1 14 14 LEU CG C 13 27.553 0.190 . 1 . . . A 14 LEU CG . 18733 1 142 . 1 1 14 14 LEU CD1 C 13 23.835 0.190 . 1 . . . A 14 LEU CD1 . 18733 1 143 . 1 1 14 14 LEU N N 15 119.831 0.120 . 1 . . . A 14 LEU N . 18733 1 144 . 1 1 15 15 ILE H H 1 7.982 0.009 . 1 . . . A 15 ILE H . 18733 1 145 . 1 1 15 15 ILE HA H 1 3.376 0.009 . 1 . . . A 15 ILE HA . 18733 1 146 . 1 1 15 15 ILE HB H 1 1.800 0.009 . 1 . . . A 15 ILE HB . 18733 1 147 . 1 1 15 15 ILE HG12 H 1 1.108 0.009 . 1 . . . A 15 ILE HG12 . 18733 1 148 . 1 1 15 15 ILE HG13 H 1 1.024 0.009 . 1 . . . A 15 ILE HG13 . 18733 1 149 . 1 1 15 15 ILE HG21 H 1 0.862 0.009 . 1 . . . A 15 ILE HG21 . 18733 1 150 . 1 1 15 15 ILE HG22 H 1 0.862 0.009 . 1 . . . A 15 ILE HG22 . 18733 1 151 . 1 1 15 15 ILE HG23 H 1 0.862 0.009 . 1 . . . A 15 ILE HG23 . 18733 1 152 . 1 1 15 15 ILE HD11 H 1 1.023 0.009 . 1 . . . A 15 ILE HD11 . 18733 1 153 . 1 1 15 15 ILE HD12 H 1 1.023 0.009 . 1 . . . A 15 ILE HD12 . 18733 1 154 . 1 1 15 15 ILE HD13 H 1 1.023 0.009 . 1 . . . A 15 ILE HD13 . 18733 1 155 . 1 1 15 15 ILE CA C 13 66.274 0.190 . 1 . . . A 15 ILE CA . 18733 1 156 . 1 1 15 15 ILE CB C 13 38.343 0.190 . 1 . . . A 15 ILE CB . 18733 1 157 . 1 1 15 15 ILE CG1 C 13 30.994 0.190 . 1 . . . A 15 ILE CG1 . 18733 1 158 . 1 1 15 15 ILE CG2 C 13 17.007 0.190 . 1 . . . A 15 ILE CG2 . 18733 1 159 . 1 1 15 15 ILE CD1 C 13 13.467 0.190 . 1 . . . A 15 ILE CD1 . 18733 1 160 . 1 1 15 15 ILE N N 15 119.150 0.120 . 1 . . . A 15 ILE N . 18733 1 161 . 1 1 16 16 LYS H H 1 8.376 0.009 . 1 . . . A 16 LYS H . 18733 1 162 . 1 1 16 16 LYS HA H 1 3.808 0.009 . 1 . . . A 16 LYS HA . 18733 1 163 . 1 1 16 16 LYS HB2 H 1 1.714 0.009 . 1 . . . A 16 LYS HB2 . 18733 1 164 . 1 1 16 16 LYS HB3 H 1 1.714 0.009 . 1 . . . A 16 LYS QB . 18733 1 165 . 1 1 16 16 LYS HG2 H 1 1.216 0.009 . 1 . . . A 16 LYS HG2 . 18733 1 166 . 1 1 16 16 LYS HG3 H 1 1.479 0.009 . 1 . . . A 16 LYS HG3 . 18733 1 167 . 1 1 16 16 LYS HD2 H 1 1.516 0.009 . 1 . . . A 16 LYS HD2 . 18733 1 168 . 1 1 16 16 LYS HD3 H 1 1.516 0.009 . 1 . . . A 16 LYS QD . 18733 1 169 . 1 1 16 16 LYS HE2 H 1 2.779 0.009 . 1 . . . A 16 LYS HE2 . 18733 1 170 . 1 1 16 16 LYS HE3 H 1 2.779 0.009 . 1 . . . A 16 LYS QE . 18733 1 171 . 1 1 16 16 LYS CA C 13 59.950 0.190 . 1 . . . A 16 LYS CA . 18733 1 172 . 1 1 16 16 LYS CB C 13 32.109 0.190 . 1 . . . A 16 LYS CB . 18733 1 173 . 1 1 16 16 LYS CG C 13 25.483 0.190 . 1 . . . A 16 LYS CG . 18733 1 174 . 1 1 16 16 LYS CD C 13 29.513 0.190 . 1 . . . A 16 LYS CD . 18733 1 175 . 1 1 16 16 LYS CE C 13 41.842 0.190 . 1 . . . A 16 LYS CE . 18733 1 176 . 1 1 16 16 LYS N N 15 118.734 0.120 . 1 . . . A 16 LYS N . 18733 1 177 . 1 1 17 17 LEU H H 1 7.147 0.009 . 1 . . . A 17 LEU H . 18733 1 178 . 1 1 17 17 LEU HA H 1 4.017 0.009 . 1 . . . A 17 LEU HA . 18733 1 179 . 1 1 17 17 LEU HB2 H 1 1.232 0.009 . 1 . . . A 17 LEU HB2 . 18733 1 180 . 1 1 17 17 LEU HB3 H 1 1.601 0.009 . 1 . . . A 17 LEU HB3 . 18733 1 181 . 1 1 17 17 LEU HG H 1 1.149 0.009 . 1 . . . A 17 LEU HG . 18733 1 182 . 1 1 17 17 LEU HD11 H 1 0.755 0.009 . 1 . . . A 17 LEU HD11 . 18733 1 183 . 1 1 17 17 LEU HD12 H 1 0.755 0.009 . 1 . . . A 17 LEU HD12 . 18733 1 184 . 1 1 17 17 LEU HD13 H 1 0.755 0.009 . 1 . . . A 17 LEU HD13 . 18733 1 185 . 1 1 17 17 LEU HD21 H 1 0.574 0.009 . 1 . . . A 17 LEU HD21 . 18733 1 186 . 1 1 17 17 LEU HD22 H 1 0.574 0.009 . 1 . . . A 17 LEU HD22 . 18733 1 187 . 1 1 17 17 LEU HD23 H 1 0.574 0.009 . 1 . . . A 17 LEU HD23 . 18733 1 188 . 1 1 17 17 LEU CA C 13 57.733 0.190 . 1 . . . A 17 LEU CA . 18733 1 189 . 1 1 17 17 LEU CB C 13 40.385 0.190 . 1 . . . A 17 LEU CB . 18733 1 190 . 1 1 17 17 LEU CG C 13 26.988 0.190 . 1 . . . A 17 LEU CG . 18733 1 191 . 1 1 17 17 LEU CD1 C 13 22.930 0.190 . 1 . . . A 17 LEU CD1 . 18733 1 192 . 1 1 17 17 LEU CD2 C 13 26.781 0.190 . 1 . . . A 17 LEU CD2 . 18733 1 193 . 1 1 17 17 LEU N N 15 121.376 0.120 . 1 . . . A 17 LEU N . 18733 1 194 . 1 1 18 18 ALA H H 1 7.756 0.009 . 1 . . . A 18 ALA H . 18733 1 195 . 1 1 18 18 ALA HA H 1 3.547 0.009 . 1 . . . A 18 ALA HA . 18733 1 196 . 1 1 18 18 ALA HB1 H 1 0.605 0.009 . 1 . . . A 18 ALA HB1 . 18733 1 197 . 1 1 18 18 ALA HB2 H 1 0.605 0.009 . 1 . . . A 18 ALA HB2 . 18733 1 198 . 1 1 18 18 ALA HB3 H 1 0.605 0.009 . 1 . . . A 18 ALA HB3 . 18733 1 199 . 1 1 18 18 ALA CA C 13 55.031 0.190 . 1 . . . A 18 ALA CA . 18733 1 200 . 1 1 18 18 ALA CB C 13 17.716 0.190 . 1 . . . A 18 ALA CB . 18733 1 201 . 1 1 18 18 ALA N N 15 123.298 0.120 . 1 . . . A 18 ALA N . 18733 1 202 . 1 1 19 19 ASN H H 1 8.584 0.009 . 1 . . . A 19 ASN H . 18733 1 203 . 1 1 19 19 ASN HA H 1 4.504 0.009 . 1 . . . A 19 ASN HA . 18733 1 204 . 1 1 19 19 ASN HB2 H 1 2.770 0.009 . 1 . . . A 19 ASN HB2 . 18733 1 205 . 1 1 19 19 ASN HB3 H 1 2.613 0.009 . 1 . . . A 19 ASN HB3 . 18733 1 206 . 1 1 19 19 ASN HD21 H 1 6.525 0.009 . 1 . . . A 19 ASN HD21 . 18733 1 207 . 1 1 19 19 ASN HD22 H 1 7.425 0.009 . 1 . . . A 19 ASN HD22 . 18733 1 208 . 1 1 19 19 ASN CA C 13 55.633 0.190 . 1 . . . A 19 ASN CA . 18733 1 209 . 1 1 19 19 ASN CB C 13 37.683 0.190 . 1 . . . A 19 ASN CB . 18733 1 210 . 1 1 19 19 ASN N N 15 114.581 0.120 . 1 . . . A 19 ASN N . 18733 1 211 . 1 1 19 19 ASN ND2 N 15 111.959 0.120 . 1 . . . A 19 ASN ND2 . 18733 1 212 . 1 1 20 20 GLN H H 1 7.934 0.009 . 1 . . . A 20 GLN H . 18733 1 213 . 1 1 20 20 GLN HA H 1 3.959 0.009 . 1 . . . A 20 GLN HA . 18733 1 214 . 1 1 20 20 GLN HB2 H 1 2.165 0.009 . 1 . . . A 20 GLN HB2 . 18733 1 215 . 1 1 20 20 GLN HB3 H 1 2.165 0.009 . 1 . . . A 20 GLN QB . 18733 1 216 . 1 1 20 20 GLN HG2 H 1 2.327 0.009 . 1 . . . A 20 GLN HG2 . 18733 1 217 . 1 1 20 20 GLN HG3 H 1 2.215 0.009 . 1 . . . A 20 GLN HG3 . 18733 1 218 . 1 1 20 20 GLN HE21 H 1 7.363 0.009 . 1 . . . A 20 GLN HE21 . 18733 1 219 . 1 1 20 20 GLN HE22 H 1 6.683 0.009 . 1 . . . A 20 GLN HE22 . 18733 1 220 . 1 1 20 20 GLN CA C 13 58.913 0.190 . 1 . . . A 20 GLN CA . 18733 1 221 . 1 1 20 20 GLN CB C 13 28.293 0.190 . 1 . . . A 20 GLN CB . 18733 1 222 . 1 1 20 20 GLN CG C 13 33.989 0.190 . 1 . . . A 20 GLN CG . 18733 1 223 . 1 1 20 20 GLN N N 15 122.054 0.120 . 1 . . . A 20 GLN N . 18733 1 224 . 1 1 20 20 GLN NE2 N 15 111.602 0.120 . 1 . . . A 20 GLN NE2 . 18733 1 225 . 1 1 21 21 GLN H H 1 8.300 0.009 . 1 . . . A 21 GLN H . 18733 1 226 . 1 1 21 21 GLN HA H 1 3.863 0.009 . 1 . . . A 21 GLN HA . 18733 1 227 . 1 1 21 21 GLN HB2 H 1 2.568 0.009 . 1 . . . A 21 GLN HB2 . 18733 1 228 . 1 1 21 21 GLN HB3 H 1 1.455 0.009 . 1 . . . A 21 GLN HB3 . 18733 1 229 . 1 1 21 21 GLN HG2 H 1 2.629 0.009 . 1 . . . A 21 GLN HG2 . 18733 1 230 . 1 1 21 21 GLN HG3 H 1 2.229 0.009 . 1 . . . A 21 GLN HG3 . 18733 1 231 . 1 1 21 21 GLN HE21 H 1 5.937 0.009 . 1 . . . A 21 GLN HE21 . 18733 1 232 . 1 1 21 21 GLN HE22 H 1 7.842 0.009 . 1 . . . A 21 GLN HE22 . 18733 1 233 . 1 1 21 21 GLN CA C 13 58.371 0.190 . 1 . . . A 21 GLN CA . 18733 1 234 . 1 1 21 21 GLN CB C 13 27.603 0.190 . 1 . . . A 21 GLN CB . 18733 1 235 . 1 1 21 21 GLN CG C 13 32.909 0.190 . 1 . . . A 21 GLN CG . 18733 1 236 . 1 1 21 21 GLN N N 15 120.962 0.120 . 1 . . . A 21 GLN N . 18733 1 237 . 1 1 21 21 GLN NE2 N 15 107.236 0.120 . 1 . . . A 21 GLN NE2 . 18733 1 238 . 1 1 22 22 ASN H H 1 7.834 0.009 . 1 . . . A 22 ASN H . 18733 1 239 . 1 1 22 22 ASN HA H 1 4.550 0.009 . 1 . . . A 22 ASN HA . 18733 1 240 . 1 1 22 22 ASN HB2 H 1 2.899 0.009 . 1 . . . A 22 ASN HB2 . 18733 1 241 . 1 1 22 22 ASN HB3 H 1 2.747 0.009 . 1 . . . A 22 ASN HB3 . 18733 1 242 . 1 1 22 22 ASN HD21 H 1 6.911 0.009 . 1 . . . A 22 ASN HD21 . 18733 1 243 . 1 1 22 22 ASN HD22 H 1 7.577 0.009 . 1 . . . A 22 ASN HD22 . 18733 1 244 . 1 1 22 22 ASN CA C 13 53.545 0.190 . 1 . . . A 22 ASN CA . 18733 1 245 . 1 1 22 22 ASN CB C 13 39.752 0.190 . 1 . . . A 22 ASN CB . 18733 1 246 . 1 1 22 22 ASN N N 15 114.486 0.120 . 1 . . . A 22 ASN N . 18733 1 247 . 1 1 22 22 ASN ND2 N 15 112.254 0.120 . 1 . . . A 22 ASN ND2 . 18733 1 248 . 1 1 23 23 GLN H H 1 7.473 0.009 . 1 . . . A 23 GLN H . 18733 1 249 . 1 1 23 23 GLN HA H 1 4.121 0.009 . 1 . . . A 23 GLN HA . 18733 1 250 . 1 1 23 23 GLN HB2 H 1 2.109 0.009 . 1 . . . A 23 GLN HB2 . 18733 1 251 . 1 1 23 23 GLN HB3 H 1 2.022 0.009 . 1 . . . A 23 GLN HB3 . 18733 1 252 . 1 1 23 23 GLN HG2 H 1 2.471 0.009 . 1 . . . A 23 GLN HG2 . 18733 1 253 . 1 1 23 23 GLN HG3 H 1 2.401 0.009 . 1 . . . A 23 GLN HG3 . 18733 1 254 . 1 1 23 23 GLN HE21 H 1 7.345 0.009 . 1 . . . A 23 GLN HE21 . 18733 1 255 . 1 1 23 23 GLN HE22 H 1 6.745 0.009 . 1 . . . A 23 GLN HE22 . 18733 1 256 . 1 1 23 23 GLN CA C 13 56.336 0.190 . 1 . . . A 23 GLN CA . 18733 1 257 . 1 1 23 23 GLN CB C 13 28.367 0.190 . 1 . . . A 23 GLN CB . 18733 1 258 . 1 1 23 23 GLN CG C 13 33.892 0.190 . 1 . . . A 23 GLN CG . 18733 1 259 . 1 1 23 23 GLN N N 15 117.002 0.120 . 1 . . . A 23 GLN N . 18733 1 260 . 1 1 23 23 GLN NE2 N 15 111.966 0.120 . 1 . . . A 23 GLN NE2 . 18733 1 261 . 1 1 24 24 ASN H H 1 7.468 0.009 . 1 . . . A 24 ASN H . 18733 1 262 . 1 1 24 24 ASN HA H 1 4.554 0.009 . 1 . . . A 24 ASN HA . 18733 1 263 . 1 1 24 24 ASN HB2 H 1 2.825 0.009 . 1 . . . A 24 ASN HB2 . 18733 1 264 . 1 1 24 24 ASN HB3 H 1 2.777 0.009 . 1 . . . A 24 ASN HB3 . 18733 1 265 . 1 1 24 24 ASN HD21 H 1 7.452 0.009 . 1 . . . A 24 ASN HD21 . 18733 1 266 . 1 1 24 24 ASN HD22 H 1 6.953 0.009 . 1 . . . A 24 ASN HD22 . 18733 1 267 . 1 1 24 24 ASN CA C 13 53.550 0.190 . 1 . . . A 24 ASN CA . 18733 1 268 . 1 1 24 24 ASN CB C 13 38.856 0.190 . 1 . . . A 24 ASN CB . 18733 1 269 . 1 1 24 24 ASN N N 15 117.868 0.120 . 1 . . . A 24 ASN N . 18733 1 270 . 1 1 24 24 ASN ND2 N 15 112.103 0.120 . 1 . . . A 24 ASN ND2 . 18733 1 271 . 1 1 25 25 THR H H 1 8.176 0.009 . 1 . . . A 25 THR H . 18733 1 272 . 1 1 25 25 THR HA H 1 4.193 0.009 . 1 . . . A 25 THR HA . 18733 1 273 . 1 1 25 25 THR HB H 1 4.275 0.009 . 1 . . . A 25 THR HB . 18733 1 274 . 1 1 25 25 THR HG21 H 1 1.193 0.009 . 1 . . . A 25 THR HG21 . 18733 1 275 . 1 1 25 25 THR HG22 H 1 1.193 0.009 . 1 . . . A 25 THR HG22 . 18733 1 276 . 1 1 25 25 THR HG23 H 1 1.193 0.009 . 1 . . . A 25 THR HG23 . 18733 1 277 . 1 1 25 25 THR CA C 13 63.026 0.190 . 1 . . . A 25 THR CA . 18733 1 278 . 1 1 25 25 THR CB C 13 69.388 0.190 . 1 . . . A 25 THR CB . 18733 1 279 . 1 1 25 25 THR CG2 C 13 21.645 0.190 . 1 . . . A 25 THR CG2 . 18733 1 280 . 1 1 25 25 THR N N 15 115.612 0.120 . 1 . . . A 25 THR N . 18733 1 281 . 1 1 26 26 GLU H H 1 8.370 0.009 . 1 . . . A 26 GLU H . 18733 1 282 . 1 1 26 26 GLU HA H 1 4.213 0.009 . 1 . . . A 26 GLU HA . 18733 1 283 . 1 1 26 26 GLU HB2 H 1 1.872 0.009 . 1 . . . A 26 GLU HB2 . 18733 1 284 . 1 1 26 26 GLU HB3 H 1 2.080 0.009 . 1 . . . A 26 GLU HB3 . 18733 1 285 . 1 1 26 26 GLU HG2 H 1 2.216 0.009 . 1 . . . A 26 GLU HG2 . 18733 1 286 . 1 1 26 26 GLU HG3 H 1 2.130 0.009 . 1 . . . A 26 GLU HG3 . 18733 1 287 . 1 1 26 26 GLU CA C 13 56.803 0.190 . 1 . . . A 26 GLU CA . 18733 1 288 . 1 1 26 26 GLU CB C 13 29.566 0.190 . 1 . . . A 26 GLU CB . 18733 1 289 . 1 1 26 26 GLU CG C 13 36.595 0.190 . 1 . . . A 26 GLU CG . 18733 1 290 . 1 1 26 26 GLU N N 15 119.600 0.120 . 1 . . . A 26 GLU N . 18733 1 291 . 1 1 27 27 ILE H H 1 7.395 0.009 . 1 . . . A 27 ILE H . 18733 1 292 . 1 1 27 27 ILE HA H 1 4.320 0.009 . 1 . . . A 27 ILE HA . 18733 1 293 . 1 1 27 27 ILE HB H 1 1.776 0.009 . 1 . . . A 27 ILE HB . 18733 1 294 . 1 1 27 27 ILE HG12 H 1 1.121 0.009 . 1 . . . A 27 ILE HG12 . 18733 1 295 . 1 1 27 27 ILE HG13 H 1 1.321 0.009 . 1 . . . A 27 ILE HG13 . 18733 1 296 . 1 1 27 27 ILE HG21 H 1 0.775 0.009 . 1 . . . A 27 ILE HG21 . 18733 1 297 . 1 1 27 27 ILE HG22 H 1 0.775 0.009 . 1 . . . A 27 ILE HG22 . 18733 1 298 . 1 1 27 27 ILE HG23 H 1 0.775 0.009 . 1 . . . A 27 ILE HG23 . 18733 1 299 . 1 1 27 27 ILE HD11 H 1 0.681 0.009 . 1 . . . A 27 ILE HD11 . 18733 1 300 . 1 1 27 27 ILE HD12 H 1 0.681 0.009 . 1 . . . A 27 ILE HD12 . 18733 1 301 . 1 1 27 27 ILE HD13 H 1 0.681 0.009 . 1 . . . A 27 ILE HD13 . 18733 1 302 . 1 1 27 27 ILE CA C 13 59.638 0.190 . 1 . . . A 27 ILE CA . 18733 1 303 . 1 1 27 27 ILE CB C 13 39.531 0.190 . 1 . . . A 27 ILE CB . 18733 1 304 . 1 1 27 27 ILE CG1 C 13 26.730 0.190 . 1 . . . A 27 ILE CG1 . 18733 1 305 . 1 1 27 27 ILE CG2 C 13 17.984 0.190 . 1 . . . A 27 ILE CG2 . 18733 1 306 . 1 1 27 27 ILE CD1 C 13 13.447 0.190 . 1 . . . A 27 ILE CD1 . 18733 1 307 . 1 1 27 27 ILE N N 15 118.383 0.120 . 1 . . . A 27 ILE N . 18733 1 308 . 1 1 28 28 GLN H H 1 8.576 0.009 . 1 . . . A 28 GLN H . 18733 1 309 . 1 1 28 28 GLN HA H 1 4.593 0.009 . 1 . . . A 28 GLN HA . 18733 1 310 . 1 1 28 28 GLN HB2 H 1 1.932 0.009 . 1 . . . A 28 GLN HB2 . 18733 1 311 . 1 1 28 28 GLN HB3 H 1 2.300 0.009 . 1 . . . A 28 GLN HB3 . 18733 1 312 . 1 1 28 28 GLN HG2 H 1 2.388 0.009 . 1 . . . A 28 GLN HG2 . 18733 1 313 . 1 1 28 28 GLN HG3 H 1 2.415 0.009 . 1 . . . A 28 GLN HG3 . 18733 1 314 . 1 1 28 28 GLN HE21 H 1 7.520 0.009 . 1 . . . A 28 GLN HE21 . 18733 1 315 . 1 1 28 28 GLN HE22 H 1 6.800 0.009 . 1 . . . A 28 GLN HE22 . 18733 1 316 . 1 1 28 28 GLN CA C 13 54.684 0.190 . 1 . . . A 28 GLN CA . 18733 1 317 . 1 1 28 28 GLN CB C 13 30.183 0.190 . 1 . . . A 28 GLN CB . 18733 1 318 . 1 1 28 28 GLN CG C 13 33.951 0.190 . 1 . . . A 28 GLN CG . 18733 1 319 . 1 1 28 28 GLN N N 15 122.321 0.120 . 1 . . . A 28 GLN N . 18733 1 320 . 1 1 28 28 GLN NE2 N 15 113.135 0.120 . 1 . . . A 28 GLN NE2 . 18733 1 321 . 1 1 29 29 THR H H 1 8.609 0.009 . 1 . . . A 29 THR H . 18733 1 322 . 1 1 29 29 THR HA H 1 3.916 0.009 . 1 . . . A 29 THR HA . 18733 1 323 . 1 1 29 29 THR HB H 1 3.852 0.009 . 1 . . . A 29 THR HB . 18733 1 324 . 1 1 29 29 THR HG21 H 1 1.081 0.009 . 1 . . . A 29 THR HG21 . 18733 1 325 . 1 1 29 29 THR HG22 H 1 1.081 0.009 . 1 . . . A 29 THR HG22 . 18733 1 326 . 1 1 29 29 THR HG23 H 1 1.081 0.009 . 1 . . . A 29 THR HG23 . 18733 1 327 . 1 1 29 29 THR CA C 13 65.895 0.190 . 1 . . . A 29 THR CA . 18733 1 328 . 1 1 29 29 THR CB C 13 68.708 0.190 . 1 . . . A 29 THR CB . 18733 1 329 . 1 1 29 29 THR CG2 C 13 22.883 0.190 . 1 . . . A 29 THR CG2 . 18733 1 330 . 1 1 29 29 THR N N 15 119.517 0.120 . 1 . . . A 29 THR N . 18733 1 331 . 1 1 30 30 GLY H H 1 8.923 0.009 . 1 . . . A 30 GLY H . 18733 1 332 . 1 1 30 30 GLY HA2 H 1 3.388 0.009 . 1 . . . A 30 GLY HA2 . 18733 1 333 . 1 1 30 30 GLY HA3 H 1 4.026 0.009 . 1 . . . A 30 GLY HA3 . 18733 1 334 . 1 1 30 30 GLY CA C 13 47.126 0.190 . 1 . . . A 30 GLY CA . 18733 1 335 . 1 1 30 30 GLY N N 15 109.285 0.120 . 1 . . . A 30 GLY N . 18733 1 336 . 1 1 31 31 GLU H H 1 7.692 0.009 . 1 . . . A 31 GLU H . 18733 1 337 . 1 1 31 31 GLU HA H 1 4.259 0.009 . 1 . . . A 31 GLU HA . 18733 1 338 . 1 1 31 31 GLU HB2 H 1 2.258 0.009 . 1 . . . A 31 GLU HB2 . 18733 1 339 . 1 1 31 31 GLU HB3 H 1 2.065 0.009 . 1 . . . A 31 GLU HB3 . 18733 1 340 . 1 1 31 31 GLU HG2 H 1 2.282 0.009 . 1 . . . A 31 GLU HG2 . 18733 1 341 . 1 1 31 31 GLU HG3 H 1 2.236 0.009 . 1 . . . A 31 GLU HG3 . 18733 1 342 . 1 1 31 31 GLU CA C 13 59.424 0.190 . 1 . . . A 31 GLU CA . 18733 1 343 . 1 1 31 31 GLU CB C 13 29.410 0.190 . 1 . . . A 31 GLU CB . 18733 1 344 . 1 1 31 31 GLU CG C 13 37.968 0.190 . 1 . . . A 31 GLU CG . 18733 1 345 . 1 1 31 31 GLU N N 15 120.940 0.120 . 1 . . . A 31 GLU N . 18733 1 346 . 1 1 32 32 VAL H H 1 7.632 0.009 . 1 . . . A 32 VAL H . 18733 1 347 . 1 1 32 32 VAL HA H 1 3.568 0.009 . 1 . . . A 32 VAL HA . 18733 1 348 . 1 1 32 32 VAL HB H 1 2.236 0.009 . 1 . . . A 32 VAL HB . 18733 1 349 . 1 1 32 32 VAL HG11 H 1 0.916 0.009 . 1 . . . A 32 VAL HG11 . 18733 1 350 . 1 1 32 32 VAL HG12 H 1 0.916 0.009 . 1 . . . A 32 VAL HG12 . 18733 1 351 . 1 1 32 32 VAL HG13 H 1 0.916 0.009 . 1 . . . A 32 VAL HG13 . 18733 1 352 . 1 1 32 32 VAL HG21 H 1 0.743 0.009 . 1 . . . A 32 VAL HG21 . 18733 1 353 . 1 1 32 32 VAL HG22 H 1 0.743 0.009 . 1 . . . A 32 VAL HG22 . 18733 1 354 . 1 1 32 32 VAL HG23 H 1 0.743 0.009 . 1 . . . A 32 VAL HG23 . 18733 1 355 . 1 1 32 32 VAL CA C 13 66.122 0.190 . 1 . . . A 32 VAL CA . 18733 1 356 . 1 1 32 32 VAL CB C 13 31.157 0.190 . 1 . . . A 32 VAL CB . 18733 1 357 . 1 1 32 32 VAL CG1 C 13 21.746 0.190 . 1 . . . A 32 VAL CG1 . 18733 1 358 . 1 1 32 32 VAL CG2 C 13 23.349 0.190 . 1 . . . A 32 VAL CG2 . 18733 1 359 . 1 1 32 32 VAL N N 15 122.718 0.120 . 1 . . . A 32 VAL N . 18733 1 360 . 1 1 33 33 SER H H 1 8.178 0.009 . 1 . . . A 33 SER H . 18733 1 361 . 1 1 33 33 SER HA H 1 4.112 0.009 . 1 . . . A 33 SER HA . 18733 1 362 . 1 1 33 33 SER HB2 H 1 3.729 0.009 . 1 . . . A 33 SER HB2 . 18733 1 363 . 1 1 33 33 SER HB3 H 1 4.005 0.009 . 1 . . . A 33 SER HB3 . 18733 1 364 . 1 1 33 33 SER CA C 13 62.119 0.190 . 1 . . . A 33 SER CA . 18733 1 365 . 1 1 33 33 SER CB C 13 63.293 0.190 . 1 . . . A 33 SER CB . 18733 1 366 . 1 1 33 33 SER N N 15 114.886 0.120 . 1 . . . A 33 SER N . 18733 1 367 . 1 1 34 34 ALA H H 1 7.675 0.009 . 1 . . . A 34 ALA H . 18733 1 368 . 1 1 34 34 ALA HA H 1 4.505 0.009 . 1 . . . A 34 ALA HA . 18733 1 369 . 1 1 34 34 ALA HB1 H 1 1.740 0.009 . 1 . . . A 34 ALA HB1 . 18733 1 370 . 1 1 34 34 ALA HB2 H 1 1.740 0.009 . 1 . . . A 34 ALA HB2 . 18733 1 371 . 1 1 34 34 ALA HB3 H 1 1.740 0.009 . 1 . . . A 34 ALA HB3 . 18733 1 372 . 1 1 34 34 ALA CA C 13 55.790 0.190 . 1 . . . A 34 ALA CA . 18733 1 373 . 1 1 34 34 ALA CB C 13 18.845 0.190 . 1 . . . A 34 ALA CB . 18733 1 374 . 1 1 34 34 ALA N N 15 121.240 0.120 . 1 . . . A 34 ALA N . 18733 1 375 . 1 1 35 35 SER H H 1 7.998 0.009 . 1 . . . A 35 SER H . 18733 1 376 . 1 1 35 35 SER HA H 1 3.420 0.009 . 1 . . . A 35 SER HA . 18733 1 377 . 1 1 35 35 SER HB2 H 1 2.615 0.009 . 1 . . . A 35 SER HB2 . 18733 1 378 . 1 1 35 35 SER HB3 H 1 3.504 0.009 . 1 . . . A 35 SER HB3 . 18733 1 379 . 1 1 35 35 SER CA C 13 61.316 0.190 . 1 . . . A 35 SER CA . 18733 1 380 . 1 1 35 35 SER CB C 13 62.547 0.190 . 1 . . . A 35 SER CB . 18733 1 381 . 1 1 35 35 SER N N 15 111.131 0.120 . 1 . . . A 35 SER N . 18733 1 382 . 1 1 36 36 PHE H H 1 7.909 0.009 . 1 . . . A 36 PHE H . 18733 1 383 . 1 1 36 36 PHE HA H 1 4.490 0.009 . 1 . . . A 36 PHE HA . 18733 1 384 . 1 1 36 36 PHE HB2 H 1 3.480 0.009 . 1 . . . A 36 PHE HB2 . 18733 1 385 . 1 1 36 36 PHE HB3 H 1 3.118 0.009 . 1 . . . A 36 PHE HB3 . 18733 1 386 . 1 1 36 36 PHE HD1 H 1 6.878 0.009 . 1 . . . A 36 PHE HD1 . 18733 1 387 . 1 1 36 36 PHE HD2 H 1 6.878 0.009 . 1 . . . A 36 PHE HD2 . 18733 1 388 . 1 1 36 36 PHE HE1 H 1 6.814 0.009 . 1 . . . A 36 PHE HE1 . 18733 1 389 . 1 1 36 36 PHE HE2 H 1 6.814 0.009 . 1 . . . A 36 PHE HE2 . 18733 1 390 . 1 1 36 36 PHE HZ H 1 6.673 0.009 . 1 . . . A 36 PHE HZ . 18733 1 391 . 1 1 36 36 PHE CA C 13 57.592 0.190 . 1 . . . A 36 PHE CA . 18733 1 392 . 1 1 36 36 PHE CB C 13 38.111 0.190 . 1 . . . A 36 PHE CB . 18733 1 393 . 1 1 36 36 PHE CD1 C 13 130.002 0.190 . 1 . . . A 36 PHE CD1 . 18733 1 394 . 1 1 36 36 PHE CD2 C 13 130.002 0.190 . 1 . . . A 36 PHE CD2 . 18733 1 395 . 1 1 36 36 PHE CE1 C 13 130.004 0.190 . 1 . . . A 36 PHE CE1 . 18733 1 396 . 1 1 36 36 PHE CE2 C 13 130.004 0.190 . 1 . . . A 36 PHE CE2 . 18733 1 397 . 1 1 36 36 PHE CZ C 13 127.678 0.190 . 1 . . . A 36 PHE CZ . 18733 1 398 . 1 1 36 36 PHE N N 15 127.676 0.120 . 1 . . . A 36 PHE N . 18733 1 399 . 1 1 37 37 MET H H 1 8.127 0.009 . 1 . . . A 37 MET H . 18733 1 400 . 1 1 37 37 MET HA H 1 3.859 0.009 . 1 . . . A 37 MET HA . 18733 1 401 . 1 1 37 37 MET HB2 H 1 2.407 0.009 . 1 . . . A 37 MET HB2 . 18733 1 402 . 1 1 37 37 MET HB3 H 1 2.407 0.009 . 1 . . . A 37 MET QB . 18733 1 403 . 1 1 37 37 MET HG2 H 1 2.999 0.009 . 1 . . . A 37 MET HG2 . 18733 1 404 . 1 1 37 37 MET HG3 H 1 2.999 0.009 . 1 . . . A 37 MET QG . 18733 1 405 . 1 1 37 37 MET HE1 H 1 2.310 0.009 . 1 . . . A 37 MET HE1 . 18733 1 406 . 1 1 37 37 MET HE2 H 1 2.310 0.009 . 1 . . . A 37 MET HE2 . 18733 1 407 . 1 1 37 37 MET HE3 H 1 2.310 0.009 . 1 . . . A 37 MET HE3 . 18733 1 408 . 1 1 37 37 MET CA C 13 59.444 0.190 . 1 . . . A 37 MET CA . 18733 1 409 . 1 1 37 37 MET CB C 13 33.517 0.190 . 1 . . . A 37 MET CB . 18733 1 410 . 1 1 37 37 MET CG C 13 33.514 0.190 . 1 . . . A 37 MET CG . 18733 1 411 . 1 1 37 37 MET CE C 13 18.531 0.190 . 1 . . . A 37 MET CE . 18733 1 412 . 1 1 37 37 MET N N 15 119.851 0.120 . 1 . . . A 37 MET N . 18733 1 413 . 1 1 38 38 TRP H H 1 8.477 0.009 . 1 . . . A 38 TRP H . 18733 1 414 . 1 1 38 38 TRP HA H 1 3.981 0.009 . 1 . . . A 38 TRP HA . 18733 1 415 . 1 1 38 38 TRP HB2 H 1 3.651 0.009 . 1 . . . A 38 TRP HB2 . 18733 1 416 . 1 1 38 38 TRP HB3 H 1 3.068 0.009 . 1 . . . A 38 TRP HB3 . 18733 1 417 . 1 1 38 38 TRP HD1 H 1 6.980 0.009 . 1 . . . A 38 TRP HD1 . 18733 1 418 . 1 1 38 38 TRP HE1 H 1 10.732 0.009 . 1 . . . A 38 TRP HE1 . 18733 1 419 . 1 1 38 38 TRP HZ2 H 1 7.654 0.009 . 1 . . . A 38 TRP HZ2 . 18733 1 420 . 1 1 38 38 TRP HZ3 H 1 7.154 0.009 . 1 . . . A 38 TRP HZ3 . 18733 1 421 . 1 1 38 38 TRP HH2 H 1 7.166 0.009 . 1 . . . A 38 TRP HH2 . 18733 1 422 . 1 1 38 38 TRP CA C 13 62.129 0.190 . 1 . . . A 38 TRP CA . 18733 1 423 . 1 1 38 38 TRP CB C 13 29.930 0.190 . 1 . . . A 38 TRP CB . 18733 1 424 . 1 1 38 38 TRP CD1 C 13 126.029 0.190 . 1 . . . A 38 TRP CD1 . 18733 1 425 . 1 1 38 38 TRP CZ2 C 13 115.942 0.190 . 1 . . . A 38 TRP CZ2 . 18733 1 426 . 1 1 38 38 TRP CZ3 C 13 121.717 0.190 . 1 . . . A 38 TRP CZ3 . 18733 1 427 . 1 1 38 38 TRP CH2 C 13 124.752 0.190 . 1 . . . A 38 TRP CH2 . 18733 1 428 . 1 1 38 38 TRP N N 15 121.153 0.120 . 1 . . . A 38 TRP N . 18733 1 429 . 1 1 38 38 TRP NE1 N 15 129.311 0.120 . 1 . . . A 38 TRP NE1 . 18733 1 430 . 1 1 39 39 ALA H H 1 8.382 0.009 . 1 . . . A 39 ALA H . 18733 1 431 . 1 1 39 39 ALA HA H 1 3.880 0.009 . 1 . . . A 39 ALA HA . 18733 1 432 . 1 1 39 39 ALA HB1 H 1 1.929 0.009 . 1 . . . A 39 ALA HB1 . 18733 1 433 . 1 1 39 39 ALA HB2 H 1 1.929 0.009 . 1 . . . A 39 ALA HB2 . 18733 1 434 . 1 1 39 39 ALA HB3 H 1 1.929 0.009 . 1 . . . A 39 ALA HB3 . 18733 1 435 . 1 1 39 39 ALA CA C 13 55.231 0.190 . 1 . . . A 39 ALA CA . 18733 1 436 . 1 1 39 39 ALA CB C 13 20.477 0.190 . 1 . . . A 39 ALA CB . 18733 1 437 . 1 1 39 39 ALA N N 15 119.518 0.120 . 1 . . . A 39 ALA N . 18733 1 438 . 1 1 40 40 LEU H H 1 7.801 0.009 . 1 . . . A 40 LEU H . 18733 1 439 . 1 1 40 40 LEU HA H 1 2.741 0.009 . 1 . . . A 40 LEU HA . 18733 1 440 . 1 1 40 40 LEU HB2 H 1 0.964 0.009 . 1 . . . A 40 LEU HB2 . 18733 1 441 . 1 1 40 40 LEU HB3 H 1 1.678 0.009 . 1 . . . A 40 LEU HB3 . 18733 1 442 . 1 1 40 40 LEU HG H 1 1.470 0.009 . 1 . . . A 40 LEU HG . 18733 1 443 . 1 1 40 40 LEU HD11 H 1 0.547 0.009 . 1 . . . A 40 LEU HD11 . 18733 1 444 . 1 1 40 40 LEU HD12 H 1 0.547 0.009 . 1 . . . A 40 LEU HD12 . 18733 1 445 . 1 1 40 40 LEU HD13 H 1 0.547 0.009 . 1 . . . A 40 LEU HD13 . 18733 1 446 . 1 1 40 40 LEU HD21 H 1 0.373 0.009 . 1 . . . A 40 LEU HD21 . 18733 1 447 . 1 1 40 40 LEU HD22 H 1 0.373 0.009 . 1 . . . A 40 LEU HD22 . 18733 1 448 . 1 1 40 40 LEU HD23 H 1 0.373 0.009 . 1 . . . A 40 LEU HD23 . 18733 1 449 . 1 1 40 40 LEU CA C 13 56.979 0.190 . 1 . . . A 40 LEU CA . 18733 1 450 . 1 1 40 40 LEU CB C 13 40.563 0.190 . 1 . . . A 40 LEU CB . 18733 1 451 . 1 1 40 40 LEU CG C 13 26.266 0.190 . 1 . . . A 40 LEU CG . 18733 1 452 . 1 1 40 40 LEU CD1 C 13 27.499 0.190 . 1 . . . A 40 LEU CD1 . 18733 1 453 . 1 1 40 40 LEU CD2 C 13 24.290 0.190 . 1 . . . A 40 LEU CD2 . 18733 1 454 . 1 1 40 40 LEU N N 15 116.794 0.120 . 1 . . . A 40 LEU N . 18733 1 455 . 1 1 41 41 ALA H H 1 8.348 0.009 . 1 . . . A 41 ALA H . 18733 1 456 . 1 1 41 41 ALA HA H 1 3.663 0.009 . 1 . . . A 41 ALA HA . 18733 1 457 . 1 1 41 41 ALA HB1 H 1 0.918 0.009 . 1 . . . A 41 ALA HB1 . 18733 1 458 . 1 1 41 41 ALA HB2 H 1 0.918 0.009 . 1 . . . A 41 ALA HB2 . 18733 1 459 . 1 1 41 41 ALA HB3 H 1 0.918 0.009 . 1 . . . A 41 ALA HB3 . 18733 1 460 . 1 1 41 41 ALA CA C 13 54.943 0.190 . 1 . . . A 41 ALA CA . 18733 1 461 . 1 1 41 41 ALA CB C 13 17.512 0.190 . 1 . . . A 41 ALA CB . 18733 1 462 . 1 1 41 41 ALA N N 15 120.249 0.120 . 1 . . . A 41 ALA N . 18733 1 463 . 1 1 42 42 ARG H H 1 8.545 0.009 . 1 . . . A 42 ARG H . 18733 1 464 . 1 1 42 42 ARG HA H 1 3.315 0.009 . 1 . . . A 42 ARG HA . 18733 1 465 . 1 1 42 42 ARG HB2 H 1 1.681 0.009 . 1 . . . A 42 ARG HB2 . 18733 1 466 . 1 1 42 42 ARG HB3 H 1 1.681 0.009 . 1 . . . A 42 ARG QB . 18733 1 467 . 1 1 42 42 ARG HG2 H 1 1.469 0.009 . 1 . . . A 42 ARG HG2 . 18733 1 468 . 1 1 42 42 ARG HG3 H 1 1.420 0.009 . 1 . . . A 42 ARG HG3 . 18733 1 469 . 1 1 42 42 ARG HD2 H 1 2.837 0.009 . 1 . . . A 42 ARG HD2 . 18733 1 470 . 1 1 42 42 ARG HD3 H 1 3.006 0.009 . 1 . . . A 42 ARG HD3 . 18733 1 471 . 1 1 42 42 ARG CA C 13 60.027 0.190 . 1 . . . A 42 ARG CA . 18733 1 472 . 1 1 42 42 ARG CB C 13 29.084 0.190 . 1 . . . A 42 ARG CB . 18733 1 473 . 1 1 42 42 ARG CG C 13 27.832 0.190 . 1 . . . A 42 ARG CG . 18733 1 474 . 1 1 42 42 ARG CD C 13 43.906 0.190 . 1 . . . A 42 ARG CD . 18733 1 475 . 1 1 42 42 ARG N N 15 118.787 0.120 . 1 . . . A 42 ARG N . 18733 1 476 . 1 1 43 43 TYR H H 1 8.540 0.009 . 1 . . . A 43 TYR H . 18733 1 477 . 1 1 43 43 TYR HA H 1 3.956 0.009 . 1 . . . A 43 TYR HA . 18733 1 478 . 1 1 43 43 TYR HB2 H 1 2.990 0.009 . 1 . . . A 43 TYR HB2 . 18733 1 479 . 1 1 43 43 TYR HB3 H 1 2.777 0.009 . 1 . . . A 43 TYR HB3 . 18733 1 480 . 1 1 43 43 TYR HD1 H 1 6.880 0.009 . 1 . . . A 43 TYR HD1 . 18733 1 481 . 1 1 43 43 TYR HD2 H 1 6.880 0.009 . 1 . . . A 43 TYR HD2 . 18733 1 482 . 1 1 43 43 TYR HE1 H 1 6.487 0.009 . 1 . . . A 43 TYR HE1 . 18733 1 483 . 1 1 43 43 TYR HE2 H 1 6.487 0.009 . 1 . . . A 43 TYR HE2 . 18733 1 484 . 1 1 43 43 TYR CA C 13 63.225 0.190 . 1 . . . A 43 TYR CA . 18733 1 485 . 1 1 43 43 TYR CB C 13 39.819 0.190 . 1 . . . A 43 TYR CB . 18733 1 486 . 1 1 43 43 TYR CD1 C 13 132.518 0.190 . 1 . . . A 43 TYR CD1 . 18733 1 487 . 1 1 43 43 TYR CD2 C 13 132.518 0.190 . 1 . . . A 43 TYR CD2 . 18733 1 488 . 1 1 43 43 TYR CE1 C 13 117.774 0.190 . 1 . . . A 43 TYR CE1 . 18733 1 489 . 1 1 43 43 TYR CE2 C 13 117.774 0.190 . 1 . . . A 43 TYR CE2 . 18733 1 490 . 1 1 43 43 TYR N N 15 122.429 0.120 . 1 . . . A 43 TYR N . 18733 1 491 . 1 1 44 44 ASN H H 1 9.124 0.009 . 1 . . . A 44 ASN H . 18733 1 492 . 1 1 44 44 ASN HA H 1 4.170 0.009 . 1 . . . A 44 ASN HA . 18733 1 493 . 1 1 44 44 ASN HB2 H 1 2.291 0.009 . 1 . . . A 44 ASN HB2 . 18733 1 494 . 1 1 44 44 ASN HB3 H 1 1.164 0.009 . 1 . . . A 44 ASN HB3 . 18733 1 495 . 1 1 44 44 ASN HD21 H 1 6.279 0.009 . 1 . . . A 44 ASN HD21 . 18733 1 496 . 1 1 44 44 ASN HD22 H 1 5.205 0.009 . 1 . . . A 44 ASN HD22 . 18733 1 497 . 1 1 44 44 ASN CA C 13 56.267 0.190 . 1 . . . A 44 ASN CA . 18733 1 498 . 1 1 44 44 ASN CB C 13 37.894 0.190 . 1 . . . A 44 ASN CB . 18733 1 499 . 1 1 44 44 ASN N N 15 116.736 0.120 . 1 . . . A 44 ASN N . 18733 1 500 . 1 1 44 44 ASN ND2 N 15 102.590 0.120 . 1 . . . A 44 ASN ND2 . 18733 1 501 . 1 1 45 45 ALA H H 1 8.085 0.009 . 1 . . . A 45 ALA H . 18733 1 502 . 1 1 45 45 ALA HA H 1 3.862 0.009 . 1 . . . A 45 ALA HA . 18733 1 503 . 1 1 45 45 ALA HB1 H 1 1.152 0.009 . 1 . . . A 45 ALA HB1 . 18733 1 504 . 1 1 45 45 ALA HB2 H 1 1.152 0.009 . 1 . . . A 45 ALA HB2 . 18733 1 505 . 1 1 45 45 ALA HB3 H 1 1.152 0.009 . 1 . . . A 45 ALA HB3 . 18733 1 506 . 1 1 45 45 ALA CA C 13 55.465 0.190 . 1 . . . A 45 ALA CA . 18733 1 507 . 1 1 45 45 ALA CB C 13 18.587 0.190 . 1 . . . A 45 ALA CB . 18733 1 508 . 1 1 45 45 ALA N N 15 124.950 0.120 . 1 . . . A 45 ALA N . 18733 1 509 . 1 1 46 46 TRP H H 1 8.364 0.009 . 1 . . . A 46 TRP H . 18733 1 510 . 1 1 46 46 TRP HA H 1 2.849 0.009 . 1 . . . A 46 TRP HA . 18733 1 511 . 1 1 46 46 TRP HB3 H 1 2.933 0.009 . 1 . . . A 46 TRP HB3 . 18733 1 512 . 1 1 46 46 TRP HD1 H 1 6.942 0.009 . 1 . . . A 46 TRP HD1 . 18733 1 513 . 1 1 46 46 TRP HE1 H 1 9.897 0.009 . 1 . . . A 46 TRP HE1 . 18733 1 514 . 1 1 46 46 TRP HE3 H 1 6.821 0.009 . 1 . . . A 46 TRP HE3 . 18733 1 515 . 1 1 46 46 TRP HZ2 H 1 7.184 0.009 . 1 . . . A 46 TRP HZ2 . 18733 1 516 . 1 1 46 46 TRP HZ3 H 1 6.635 0.009 . 1 . . . A 46 TRP HZ3 . 18733 1 517 . 1 1 46 46 TRP HH2 H 1 6.994 0.009 . 1 . . . A 46 TRP HH2 . 18733 1 518 . 1 1 46 46 TRP CA C 13 60.783 0.190 . 1 . . . A 46 TRP CA . 18733 1 519 . 1 1 46 46 TRP CB C 13 26.470 0.190 . 1 . . . A 46 TRP CB . 18733 1 520 . 1 1 46 46 TRP CD1 C 13 126.578 0.190 . 1 . . . A 46 TRP CD1 . 18733 1 521 . 1 1 46 46 TRP CE3 C 13 120.208 0.190 . 1 . . . A 46 TRP CE3 . 18733 1 522 . 1 1 46 46 TRP CZ2 C 13 114.592 0.190 . 1 . . . A 46 TRP CZ2 . 18733 1 523 . 1 1 46 46 TRP CZ3 C 13 121.846 0.190 . 1 . . . A 46 TRP CZ3 . 18733 1 524 . 1 1 46 46 TRP CH2 C 13 123.729 0.190 . 1 . . . A 46 TRP CH2 . 18733 1 525 . 1 1 46 46 TRP N N 15 119.686 0.120 . 1 . . . A 46 TRP N . 18733 1 526 . 1 1 46 46 TRP NE1 N 15 130.478 0.120 . 1 . . . A 46 TRP NE1 . 18733 1 527 . 1 1 47 47 PHE H H 1 9.067 0.009 . 1 . . . A 47 PHE H . 18733 1 528 . 1 1 47 47 PHE HA H 1 2.939 0.009 . 1 . . . A 47 PHE HA . 18733 1 529 . 1 1 47 47 PHE HB2 H 1 2.776 0.009 . 1 . . . A 47 PHE HB2 . 18733 1 530 . 1 1 47 47 PHE HB3 H 1 2.837 0.009 . 1 . . . A 47 PHE HB3 . 18733 1 531 . 1 1 47 47 PHE HD1 H 1 6.991 0.009 . 1 . . . A 47 PHE HD1 . 18733 1 532 . 1 1 47 47 PHE HD2 H 1 6.991 0.009 . 1 . . . A 47 PHE HD2 . 18733 1 533 . 1 1 47 47 PHE HE1 H 1 7.213 0.009 . 1 . . . A 47 PHE HE1 . 18733 1 534 . 1 1 47 47 PHE HE2 H 1 7.213 0.009 . 1 . . . A 47 PHE HE2 . 18733 1 535 . 1 1 47 47 PHE HZ H 1 7.076 0.009 . 1 . . . A 47 PHE HZ . 18733 1 536 . 1 1 47 47 PHE CA C 13 59.116 0.190 . 1 . . . A 47 PHE CA . 18733 1 537 . 1 1 47 47 PHE CB C 13 38.212 0.190 . 1 . . . A 47 PHE CB . 18733 1 538 . 1 1 47 47 PHE CD1 C 13 131.234 0.190 . 1 . . . A 47 PHE CD1 . 18733 1 539 . 1 1 47 47 PHE CD2 C 13 131.234 0.190 . 1 . . . A 47 PHE CD2 . 18733 1 540 . 1 1 47 47 PHE CE1 C 13 131.029 0.190 . 1 . . . A 47 PHE CE1 . 18733 1 541 . 1 1 47 47 PHE CE2 C 13 131.029 0.190 . 1 . . . A 47 PHE CE2 . 18733 1 542 . 1 1 47 47 PHE CZ C 13 129.874 0.190 . 1 . . . A 47 PHE CZ . 18733 1 543 . 1 1 47 47 PHE N N 15 121.090 0.120 . 1 . . . A 47 PHE N . 18733 1 544 . 1 1 48 48 GLY H H 1 8.438 0.009 . 1 . . . A 48 GLY H . 18733 1 545 . 1 1 48 48 GLY HA2 H 1 3.691 0.009 . 1 . . . A 48 GLY HA2 . 18733 1 546 . 1 1 48 48 GLY HA3 H 1 3.460 0.009 . 1 . . . A 48 GLY HA3 . 18733 1 547 . 1 1 48 48 GLY CA C 13 47.209 0.190 . 1 . . . A 48 GLY CA . 18733 1 548 . 1 1 48 48 GLY N N 15 109.386 0.120 . 1 . . . A 48 GLY N . 18733 1 549 . 1 1 49 49 SER H H 1 7.967 0.009 . 1 . . . A 49 SER H . 18733 1 550 . 1 1 49 49 SER CA C 13 62.016 0.190 . 1 . . . A 49 SER CA . 18733 1 551 . 1 1 49 49 SER CB C 13 63.411 0.190 . 1 . . . A 49 SER CB . 18733 1 552 . 1 1 49 49 SER N N 15 118.098 0.120 . 1 . . . A 49 SER N . 18733 1 553 . 1 1 50 50 THR H H 1 6.772 0.009 . 1 . . . A 50 THR H . 18733 1 554 . 1 1 50 50 THR HA H 1 3.851 0.009 . 1 . . . A 50 THR HA . 18733 1 555 . 1 1 50 50 THR HB H 1 3.963 0.009 . 1 . . . A 50 THR HB . 18733 1 556 . 1 1 50 50 THR HG21 H 1 0.607 0.009 . 1 . . . A 50 THR HG21 . 18733 1 557 . 1 1 50 50 THR HG22 H 1 0.607 0.009 . 1 . . . A 50 THR HG22 . 18733 1 558 . 1 1 50 50 THR HG23 H 1 0.607 0.009 . 1 . . . A 50 THR HG23 . 18733 1 559 . 1 1 50 50 THR CA C 13 63.914 0.190 . 1 . . . A 50 THR CA . 18733 1 560 . 1 1 50 50 THR CB C 13 69.676 0.190 . 1 . . . A 50 THR CB . 18733 1 561 . 1 1 50 50 THR CG2 C 13 20.709 0.190 . 1 . . . A 50 THR CG2 . 18733 1 562 . 1 1 50 50 THR N N 15 110.801 0.120 . 1 . . . A 50 THR N . 18733 1 563 . 1 1 51 51 SER H H 1 7.110 0.009 . 1 . . . A 51 SER H . 18733 1 564 . 1 1 51 51 SER HA H 1 3.990 0.009 . 1 . . . A 51 SER HA . 18733 1 565 . 1 1 51 51 SER HB2 H 1 3.077 0.009 . 1 . . . A 51 SER HB2 . 18733 1 566 . 1 1 51 51 SER HB3 H 1 2.873 0.009 . 1 . . . A 51 SER HB3 . 18733 1 567 . 1 1 51 51 SER CA C 13 59.360 0.190 . 1 . . . A 51 SER CA . 18733 1 568 . 1 1 51 51 SER CB C 13 63.142 0.190 . 1 . . . A 51 SER CB . 18733 1 569 . 1 1 51 51 SER N N 15 115.249 0.120 . 1 . . . A 51 SER N . 18733 1 570 . 1 1 52 52 PHE H H 1 7.226 0.009 . 1 . . . A 52 PHE H . 18733 1 571 . 1 1 52 52 PHE HA H 1 4.861 0.009 . 1 . . . A 52 PHE HA . 18733 1 572 . 1 1 52 52 PHE HB2 H 1 3.329 0.009 . 1 . . . A 52 PHE HB2 . 18733 1 573 . 1 1 52 52 PHE HB3 H 1 2.716 0.009 . 1 . . . A 52 PHE HB3 . 18733 1 574 . 1 1 52 52 PHE HD1 H 1 7.113 0.009 . 1 . . . A 52 PHE HD1 . 18733 1 575 . 1 1 52 52 PHE HD2 H 1 7.113 0.009 . 1 . . . A 52 PHE HD2 . 18733 1 576 . 1 1 52 52 PHE HE1 H 1 7.008 0.009 . 1 . . . A 52 PHE HE1 . 18733 1 577 . 1 1 52 52 PHE HE2 H 1 7.008 0.009 . 1 . . . A 52 PHE HE2 . 18733 1 578 . 1 1 52 52 PHE CA C 13 57.045 0.190 . 1 . . . A 52 PHE CA . 18733 1 579 . 1 1 52 52 PHE CB C 13 42.165 0.190 . 1 . . . A 52 PHE CB . 18733 1 580 . 1 1 52 52 PHE CD1 C 13 131.723 0.190 . 1 . . . A 52 PHE CD1 . 18733 1 581 . 1 1 52 52 PHE CD2 C 13 131.723 0.190 . 1 . . . A 52 PHE CD2 . 18733 1 582 . 1 1 52 52 PHE CE1 C 13 129.249 0.190 . 1 . . . A 52 PHE CE1 . 18733 1 583 . 1 1 52 52 PHE CE2 C 13 129.249 0.190 . 1 . . . A 52 PHE CE2 . 18733 1 584 . 1 1 52 52 PHE N N 15 118.004 0.120 . 1 . . . A 52 PHE N . 18733 1 585 . 1 1 53 53 GLU H H 1 8.895 0.009 . 1 . . . A 53 GLU H . 18733 1 586 . 1 1 53 53 GLU HA H 1 4.415 0.009 . 1 . . . A 53 GLU HA . 18733 1 587 . 1 1 53 53 GLU HB2 H 1 2.166 0.009 . 1 . . . A 53 GLU HB2 . 18733 1 588 . 1 1 53 53 GLU HB3 H 1 2.092 0.009 . 1 . . . A 53 GLU HB3 . 18733 1 589 . 1 1 53 53 GLU HG2 H 1 2.375 0.009 . 1 . . . A 53 GLU HG2 . 18733 1 590 . 1 1 53 53 GLU HG3 H 1 2.260 0.009 . 1 . . . A 53 GLU HG3 . 18733 1 591 . 1 1 53 53 GLU CA C 13 57.653 0.190 . 1 . . . A 53 GLU CA . 18733 1 592 . 1 1 53 53 GLU CB C 13 31.679 0.190 . 1 . . . A 53 GLU CB . 18733 1 593 . 1 1 53 53 GLU CG C 13 36.693 0.190 . 1 . . . A 53 GLU CG . 18733 1 594 . 1 1 53 53 GLU N N 15 119.224 0.120 . 1 . . . A 53 GLU N . 18733 1 595 . 1 1 54 54 THR H H 1 7.142 0.009 . 1 . . . A 54 THR H . 18733 1 596 . 1 1 54 54 THR HA H 1 4.529 0.009 . 1 . . . A 54 THR HA . 18733 1 597 . 1 1 54 54 THR HB H 1 4.362 0.009 . 1 . . . A 54 THR HB . 18733 1 598 . 1 1 54 54 THR HG21 H 1 1.070 0.009 . 1 . . . A 54 THR HG21 . 18733 1 599 . 1 1 54 54 THR HG22 H 1 1.070 0.009 . 1 . . . A 54 THR HG22 . 18733 1 600 . 1 1 54 54 THR HG23 H 1 1.070 0.009 . 1 . . . A 54 THR HG23 . 18733 1 601 . 1 1 54 54 THR CA C 13 58.360 0.190 . 1 . . . A 54 THR CA . 18733 1 602 . 1 1 54 54 THR CB C 13 73.366 0.190 . 1 . . . A 54 THR CB . 18733 1 603 . 1 1 54 54 THR CG2 C 13 21.692 0.190 . 1 . . . A 54 THR CG2 . 18733 1 604 . 1 1 54 54 THR N N 15 105.230 0.120 . 1 . . . A 54 THR N . 18733 1 605 . 1 1 55 55 LYS H H 1 8.356 0.009 . 1 . . . A 55 LYS H . 18733 1 606 . 1 1 55 55 LYS HA H 1 2.752 0.009 . 1 . . . A 55 LYS HA . 18733 1 607 . 1 1 55 55 LYS HB2 H 1 1.736 0.009 . 1 . . . A 55 LYS HB2 . 18733 1 608 . 1 1 55 55 LYS HB3 H 1 1.357 0.009 . 1 . . . A 55 LYS HB3 . 18733 1 609 . 1 1 55 55 LYS HG2 H 1 1.359 0.009 . 1 . . . A 55 LYS HG2 . 18733 1 610 . 1 1 55 55 LYS HG3 H 1 1.020 0.009 . 1 . . . A 55 LYS HG3 . 18733 1 611 . 1 1 55 55 LYS HD2 H 1 1.699 0.009 . 1 . . . A 55 LYS HD2 . 18733 1 612 . 1 1 55 55 LYS HD3 H 1 1.533 0.009 . 1 . . . A 55 LYS HD3 . 18733 1 613 . 1 1 55 55 LYS HE2 H 1 2.816 0.009 . 1 . . . A 55 LYS HE2 . 18733 1 614 . 1 1 55 55 LYS HE3 H 1 2.929 0.009 . 1 . . . A 55 LYS HE3 . 18733 1 615 . 1 1 55 55 LYS CA C 13 58.567 0.190 . 1 . . . A 55 LYS CA . 18733 1 616 . 1 1 55 55 LYS CB C 13 32.829 0.190 . 1 . . . A 55 LYS CB . 18733 1 617 . 1 1 55 55 LYS CG C 13 23.717 0.190 . 1 . . . A 55 LYS CG . 18733 1 618 . 1 1 55 55 LYS CD C 13 29.954 0.190 . 1 . . . A 55 LYS CD . 18733 1 619 . 1 1 55 55 LYS CE C 13 42.053 0.190 . 1 . . . A 55 LYS CE . 18733 1 620 . 1 1 55 55 LYS N N 15 122.509 0.120 . 1 . . . A 55 LYS N . 18733 1 621 . 1 1 56 56 GLU H H 1 8.416 0.009 . 1 . . . A 56 GLU H . 18733 1 622 . 1 1 56 56 GLU HA H 1 3.785 0.009 . 1 . . . A 56 GLU HA . 18733 1 623 . 1 1 56 56 GLU HB2 H 1 1.713 0.009 . 1 . . . A 56 GLU HB2 . 18733 1 624 . 1 1 56 56 GLU HB3 H 1 1.871 0.009 . 1 . . . A 56 GLU HB3 . 18733 1 625 . 1 1 56 56 GLU HG2 H 1 2.070 0.009 . 1 . . . A 56 GLU HG2 . 18733 1 626 . 1 1 56 56 GLU HG3 H 1 2.346 0.009 . 1 . . . A 56 GLU HG3 . 18733 1 627 . 1 1 56 56 GLU CA C 13 60.334 0.190 . 1 . . . A 56 GLU CA . 18733 1 628 . 1 1 56 56 GLU CB C 13 28.185 0.190 . 1 . . . A 56 GLU CB . 18733 1 629 . 1 1 56 56 GLU CG C 13 37.213 0.190 . 1 . . . A 56 GLU CG . 18733 1 630 . 1 1 56 56 GLU N N 15 117.867 0.120 . 1 . . . A 56 GLU N . 18733 1 631 . 1 1 57 57 GLN H H 1 7.400 0.009 . 1 . . . A 57 GLN H . 18733 1 632 . 1 1 57 57 GLN HA H 1 3.788 0.009 . 1 . . . A 57 GLN HA . 18733 1 633 . 1 1 57 57 GLN HB2 H 1 2.023 0.009 . 1 . . . A 57 GLN HB2 . 18733 1 634 . 1 1 57 57 GLN HB3 H 1 2.175 0.009 . 1 . . . A 57 GLN HB3 . 18733 1 635 . 1 1 57 57 GLN HG2 H 1 2.398 0.009 . 1 . . . A 57 GLN HG2 . 18733 1 636 . 1 1 57 57 GLN HG3 H 1 2.309 0.009 . 1 . . . A 57 GLN HG3 . 18733 1 637 . 1 1 57 57 GLN HE21 H 1 7.369 0.009 . 1 . . . A 57 GLN HE21 . 18733 1 638 . 1 1 57 57 GLN HE22 H 1 7.144 0.009 . 1 . . . A 57 GLN HE22 . 18733 1 639 . 1 1 57 57 GLN CA C 13 58.056 0.190 . 1 . . . A 57 GLN CA . 18733 1 640 . 1 1 57 57 GLN CB C 13 28.577 0.190 . 1 . . . A 57 GLN CB . 18733 1 641 . 1 1 57 57 GLN CG C 13 33.776 0.190 . 1 . . . A 57 GLN CG . 18733 1 642 . 1 1 57 57 GLN N N 15 119.487 0.120 . 1 . . . A 57 GLN N . 18733 1 643 . 1 1 57 57 GLN NE2 N 15 111.139 0.120 . 1 . . . A 57 GLN NE2 . 18733 1 644 . 1 1 58 58 MET H H 1 6.758 0.009 . 1 . . . A 58 MET H . 18733 1 645 . 1 1 58 58 MET HA H 1 2.029 0.009 . 1 . . . A 58 MET HA . 18733 1 646 . 1 1 58 58 MET HB2 H 1 1.633 0.009 . 1 . . . A 58 MET HB2 . 18733 1 647 . 1 1 58 58 MET HB3 H 1 1.184 0.009 . 1 . . . A 58 MET HB3 . 18733 1 648 . 1 1 58 58 MET HG2 H 1 2.151 0.009 . 1 . . . A 58 MET HG2 . 18733 1 649 . 1 1 58 58 MET HG3 H 1 1.912 0.009 . 1 . . . A 58 MET HG3 . 18733 1 650 . 1 1 58 58 MET HE1 H 1 2.004 0.009 . 1 . . . A 58 MET HE1 . 18733 1 651 . 1 1 58 58 MET HE2 H 1 2.004 0.009 . 1 . . . A 58 MET HE2 . 18733 1 652 . 1 1 58 58 MET HE3 H 1 2.004 0.009 . 1 . . . A 58 MET HE3 . 18733 1 653 . 1 1 58 58 MET CA C 13 58.862 0.190 . 1 . . . A 58 MET CA . 18733 1 654 . 1 1 58 58 MET CB C 13 30.814 0.190 . 1 . . . A 58 MET CB . 18733 1 655 . 1 1 58 58 MET CG C 13 34.156 0.190 . 1 . . . A 58 MET CG . 18733 1 656 . 1 1 58 58 MET CE C 13 19.683 0.190 . 1 . . . A 58 MET CE . 18733 1 657 . 1 1 58 58 MET N N 15 118.284 0.120 . 1 . . . A 58 MET N . 18733 1 658 . 1 1 59 59 GLN H H 1 8.305 0.009 . 1 . . . A 59 GLN H . 18733 1 659 . 1 1 59 59 GLN HA H 1 3.578 0.009 . 1 . . . A 59 GLN HA . 18733 1 660 . 1 1 59 59 GLN HB2 H 1 1.941 0.009 . 1 . . . A 59 GLN HB2 . 18733 1 661 . 1 1 59 59 GLN HB3 H 1 1.907 0.009 . 1 . . . A 59 GLN HB3 . 18733 1 662 . 1 1 59 59 GLN HG2 H 1 2.263 0.009 . 1 . . . A 59 GLN HG2 . 18733 1 663 . 1 1 59 59 GLN HG3 H 1 2.221 0.009 . 1 . . . A 59 GLN HG3 . 18733 1 664 . 1 1 59 59 GLN HE21 H 1 7.409 0.009 . 1 . . . A 59 GLN HE21 . 18733 1 665 . 1 1 59 59 GLN HE22 H 1 6.739 0.009 . 1 . . . A 59 GLN HE22 . 18733 1 666 . 1 1 59 59 GLN CA C 13 59.361 0.190 . 1 . . . A 59 GLN CA . 18733 1 667 . 1 1 59 59 GLN CB C 13 28.975 0.190 . 1 . . . A 59 GLN CB . 18733 1 668 . 1 1 59 59 GLN CG C 13 34.067 0.190 . 1 . . . A 59 GLN CG . 18733 1 669 . 1 1 59 59 GLN N N 15 116.663 0.120 . 1 . . . A 59 GLN N . 18733 1 670 . 1 1 59 59 GLN NE2 N 15 111.665 0.120 . 1 . . . A 59 GLN NE2 . 18733 1 671 . 1 1 60 60 ALA H H 1 7.320 0.009 . 1 . . . A 60 ALA H . 18733 1 672 . 1 1 60 60 ALA HA H 1 4.028 0.009 . 1 . . . A 60 ALA HA . 18733 1 673 . 1 1 60 60 ALA HB1 H 1 1.342 0.009 . 1 . . . A 60 ALA HB1 . 18733 1 674 . 1 1 60 60 ALA HB2 H 1 1.342 0.009 . 1 . . . A 60 ALA HB2 . 18733 1 675 . 1 1 60 60 ALA HB3 H 1 1.342 0.009 . 1 . . . A 60 ALA HB3 . 18733 1 676 . 1 1 60 60 ALA CA C 13 54.245 0.190 . 1 . . . A 60 ALA CA . 18733 1 677 . 1 1 60 60 ALA CB C 13 18.161 0.190 . 1 . . . A 60 ALA CB . 18733 1 678 . 1 1 60 60 ALA N N 15 119.084 0.120 . 1 . . . A 60 ALA N . 18733 1 679 . 1 1 61 61 LYS H H 1 6.862 0.009 . 1 . . . A 61 LYS H . 18733 1 680 . 1 1 61 61 LYS HA H 1 4.517 0.009 . 1 . . . A 61 LYS HA . 18733 1 681 . 1 1 61 61 LYS HB2 H 1 2.081 0.009 . 1 . . . A 61 LYS HB2 . 18733 1 682 . 1 1 61 61 LYS HB3 H 1 1.477 0.009 . 1 . . . A 61 LYS HB3 . 18733 1 683 . 1 1 61 61 LYS HG2 H 1 1.535 0.009 . 1 . . . A 61 LYS HG2 . 18733 1 684 . 1 1 61 61 LYS HG3 H 1 1.282 0.009 . 1 . . . A 61 LYS HG3 . 18733 1 685 . 1 1 61 61 LYS HD2 H 1 1.628 0.009 . 1 . . . A 61 LYS HD2 . 18733 1 686 . 1 1 61 61 LYS HD3 H 1 1.546 0.009 . 1 . . . A 61 LYS HD3 . 18733 1 687 . 1 1 61 61 LYS HE2 H 1 2.880 0.009 . 1 . . . A 61 LYS HE2 . 18733 1 688 . 1 1 61 61 LYS HE3 H 1 2.920 0.009 . 1 . . . A 61 LYS HE3 . 18733 1 689 . 1 1 61 61 LYS CA C 13 54.188 0.190 . 1 . . . A 61 LYS CA . 18733 1 690 . 1 1 61 61 LYS CB C 13 33.239 0.190 . 1 . . . A 61 LYS CB . 18733 1 691 . 1 1 61 61 LYS CG C 13 25.030 0.190 . 1 . . . A 61 LYS CG . 18733 1 692 . 1 1 61 61 LYS CD C 13 28.462 0.190 . 1 . . . A 61 LYS CD . 18733 1 693 . 1 1 61 61 LYS CE C 13 42.257 0.190 . 1 . . . A 61 LYS CE . 18733 1 694 . 1 1 61 61 LYS N N 15 115.215 0.120 . 1 . . . A 61 LYS N . 18733 1 695 . 1 1 62 62 LYS H H 1 7.162 0.009 . 1 . . . A 62 LYS H . 18733 1 696 . 1 1 62 62 LYS HA H 1 3.582 0.009 . 1 . . . A 62 LYS HA . 18733 1 697 . 1 1 62 62 LYS HB2 H 1 1.735 0.009 . 1 . . . A 62 LYS HB2 . 18733 1 698 . 1 1 62 62 LYS HB3 H 1 1.820 0.009 . 1 . . . A 62 LYS HB3 . 18733 1 699 . 1 1 62 62 LYS HG2 H 1 1.132 0.009 . 1 . . . A 62 LYS HG2 . 18733 1 700 . 1 1 62 62 LYS HG3 H 1 1.132 0.009 . 1 . . . A 62 LYS QG . 18733 1 701 . 1 1 62 62 LYS HD2 H 1 1.587 0.009 . 1 . . . A 62 LYS HD2 . 18733 1 702 . 1 1 62 62 LYS HD3 H 1 1.503 0.009 . 1 . . . A 62 LYS HD3 . 18733 1 703 . 1 1 62 62 LYS HE2 H 1 2.659 0.009 . 1 . . . A 62 LYS HE2 . 18733 1 704 . 1 1 62 62 LYS HE3 H 1 2.659 0.009 . 1 . . . A 62 LYS QE . 18733 1 705 . 1 1 62 62 LYS CA C 13 61.271 0.190 . 1 . . . A 62 LYS CA . 18733 1 706 . 1 1 62 62 LYS CB C 13 33.052 0.190 . 1 . . . A 62 LYS CB . 18733 1 707 . 1 1 62 62 LYS CG C 13 25.782 0.190 . 1 . . . A 62 LYS CG . 18733 1 708 . 1 1 62 62 LYS CD C 13 29.920 0.190 . 1 . . . A 62 LYS CD . 18733 1 709 . 1 1 62 62 LYS CE C 13 42.562 0.190 . 1 . . . A 62 LYS CE . 18733 1 710 . 1 1 62 62 LYS N N 15 122.199 0.120 . 1 . . . A 62 LYS N . 18733 1 711 . 1 1 63 63 GLN H H 1 8.495 0.009 . 1 . . . A 63 GLN H . 18733 1 712 . 1 1 63 63 GLN HA H 1 3.767 0.009 . 1 . . . A 63 GLN HA . 18733 1 713 . 1 1 63 63 GLN HB2 H 1 2.024 0.009 . 1 . . . A 63 GLN HB2 . 18733 1 714 . 1 1 63 63 GLN HB3 H 1 2.024 0.009 . 1 . . . A 63 GLN QB . 18733 1 715 . 1 1 63 63 GLN HG2 H 1 2.314 0.009 . 1 . . . A 63 GLN HG2 . 18733 1 716 . 1 1 63 63 GLN HG3 H 1 2.314 0.009 . 1 . . . A 63 GLN QG . 18733 1 717 . 1 1 63 63 GLN HE21 H 1 6.823 0.009 . 1 . . . A 63 GLN HE21 . 18733 1 718 . 1 1 63 63 GLN HE22 H 1 7.877 0.009 . 1 . . . A 63 GLN HE22 . 18733 1 719 . 1 1 63 63 GLN CA C 13 58.948 0.190 . 1 . . . A 63 GLN CA . 18733 1 720 . 1 1 63 63 GLN CB C 13 27.823 0.190 . 1 . . . A 63 GLN CB . 18733 1 721 . 1 1 63 63 GLN CG C 13 33.502 0.190 . 1 . . . A 63 GLN CG . 18733 1 722 . 1 1 63 63 GLN N N 15 117.101 0.120 . 1 . . . A 63 GLN N . 18733 1 723 . 1 1 63 63 GLN NE2 N 15 115.940 0.120 . 1 . . . A 63 GLN NE2 . 18733 1 724 . 1 1 64 64 GLU H H 1 7.986 0.009 . 1 . . . A 64 GLU H . 18733 1 725 . 1 1 64 64 GLU HA H 1 4.035 0.009 . 1 . . . A 64 GLU HA . 18733 1 726 . 1 1 64 64 GLU HB2 H 1 2.041 0.009 . 1 . . . A 64 GLU HB2 . 18733 1 727 . 1 1 64 64 GLU HB3 H 1 1.958 0.009 . 1 . . . A 64 GLU HB3 . 18733 1 728 . 1 1 64 64 GLU HG2 H 1 2.270 0.009 . 1 . . . A 64 GLU HG2 . 18733 1 729 . 1 1 64 64 GLU HG3 H 1 2.141 0.009 . 1 . . . A 64 GLU HG3 . 18733 1 730 . 1 1 64 64 GLU CA C 13 59.672 0.190 . 1 . . . A 64 GLU CA . 18733 1 731 . 1 1 64 64 GLU CB C 13 29.755 0.190 . 1 . . . A 64 GLU CB . 18733 1 732 . 1 1 64 64 GLU CG C 13 36.861 0.190 . 1 . . . A 64 GLU CG . 18733 1 733 . 1 1 64 64 GLU N N 15 119.459 0.120 . 1 . . . A 64 GLU N . 18733 1 734 . 1 1 65 65 MET H H 1 8.320 0.009 . 1 . . . A 65 MET H . 18733 1 735 . 1 1 65 65 MET HA H 1 4.077 0.009 . 1 . . . A 65 MET HA . 18733 1 736 . 1 1 65 65 MET HB2 H 1 1.903 0.009 . 1 . . . A 65 MET HB2 . 18733 1 737 . 1 1 65 65 MET HB3 H 1 2.339 0.009 . 1 . . . A 65 MET HB3 . 18733 1 738 . 1 1 65 65 MET HG2 H 1 2.429 0.009 . 1 . . . A 65 MET HG2 . 18733 1 739 . 1 1 65 65 MET HG3 H 1 2.682 0.009 . 1 . . . A 65 MET HG3 . 18733 1 740 . 1 1 65 65 MET HE1 H 1 1.919 0.009 . 1 . . . A 65 MET HE1 . 18733 1 741 . 1 1 65 65 MET HE2 H 1 1.919 0.009 . 1 . . . A 65 MET HE2 . 18733 1 742 . 1 1 65 65 MET HE3 H 1 1.919 0.009 . 1 . . . A 65 MET HE3 . 18733 1 743 . 1 1 65 65 MET CA C 13 59.488 0.190 . 1 . . . A 65 MET CA . 18733 1 744 . 1 1 65 65 MET CB C 13 34.335 0.190 . 1 . . . A 65 MET CB . 18733 1 745 . 1 1 65 65 MET CG C 13 32.277 0.190 . 1 . . . A 65 MET CG . 18733 1 746 . 1 1 65 65 MET CE C 13 17.475 0.190 . 1 . . . A 65 MET CE . 18733 1 747 . 1 1 65 65 MET N N 15 118.493 0.120 . 1 . . . A 65 MET N . 18733 1 748 . 1 1 66 66 MET H H 1 8.594 0.009 . 1 . . . A 66 MET H . 18733 1 749 . 1 1 66 66 MET HA H 1 4.127 0.009 . 1 . . . A 66 MET HA . 18733 1 750 . 1 1 66 66 MET HB2 H 1 2.062 0.009 . 1 . . . A 66 MET HB2 . 18733 1 751 . 1 1 66 66 MET HB3 H 1 2.244 0.009 . 1 . . . A 66 MET HB3 . 18733 1 752 . 1 1 66 66 MET HG2 H 1 2.880 0.009 . 1 . . . A 66 MET HG2 . 18733 1 753 . 1 1 66 66 MET HG3 H 1 2.305 0.009 . 1 . . . A 66 MET HG3 . 18733 1 754 . 1 1 66 66 MET HE1 H 1 2.016 0.009 . 1 . . . A 66 MET HE1 . 18733 1 755 . 1 1 66 66 MET HE2 H 1 2.016 0.009 . 1 . . . A 66 MET HE2 . 18733 1 756 . 1 1 66 66 MET HE3 H 1 2.016 0.009 . 1 . . . A 66 MET HE3 . 18733 1 757 . 1 1 66 66 MET CA C 13 59.790 0.190 . 1 . . . A 66 MET CA . 18733 1 758 . 1 1 66 66 MET CB C 13 31.196 0.190 . 1 . . . A 66 MET CB . 18733 1 759 . 1 1 66 66 MET CG C 13 31.848 0.190 . 1 . . . A 66 MET CG . 18733 1 760 . 1 1 66 66 MET CE C 13 15.587 0.190 . 1 . . . A 66 MET CE . 18733 1 761 . 1 1 66 66 MET N N 15 117.848 0.120 . 1 . . . A 66 MET N . 18733 1 762 . 1 1 67 67 ASP H H 1 8.627 0.009 . 1 . . . A 67 ASP H . 18733 1 763 . 1 1 67 67 ASP HA H 1 4.283 0.009 . 1 . . . A 67 ASP HA . 18733 1 764 . 1 1 67 67 ASP HB2 H 1 2.681 0.009 . 1 . . . A 67 ASP HB2 . 18733 1 765 . 1 1 67 67 ASP HB3 H 1 2.681 0.009 . 1 . . . A 67 ASP QB . 18733 1 766 . 1 1 67 67 ASP CA C 13 57.892 0.190 . 1 . . . A 67 ASP CA . 18733 1 767 . 1 1 67 67 ASP CB C 13 39.885 0.190 . 1 . . . A 67 ASP CB . 18733 1 768 . 1 1 67 67 ASP N N 15 118.987 0.120 . 1 . . . A 67 ASP N . 18733 1 769 . 1 1 68 68 TYR H H 1 7.633 0.009 . 1 . . . A 68 TYR H . 18733 1 770 . 1 1 68 68 TYR HA H 1 4.118 0.009 . 1 . . . A 68 TYR HA . 18733 1 771 . 1 1 68 68 TYR HB2 H 1 3.039 0.009 . 1 . . . A 68 TYR HB2 . 18733 1 772 . 1 1 68 68 TYR HB3 H 1 2.949 0.009 . 1 . . . A 68 TYR HB3 . 18733 1 773 . 1 1 68 68 TYR HD1 H 1 6.490 0.009 . 1 . . . A 68 TYR HD1 . 18733 1 774 . 1 1 68 68 TYR HD2 H 1 6.490 0.009 . 1 . . . A 68 TYR HD2 . 18733 1 775 . 1 1 68 68 TYR HE1 H 1 6.569 0.009 . 1 . . . A 68 TYR HE1 . 18733 1 776 . 1 1 68 68 TYR HE2 H 1 6.569 0.009 . 1 . . . A 68 TYR HE2 . 18733 1 777 . 1 1 68 68 TYR CA C 13 61.588 0.190 . 1 . . . A 68 TYR CA . 18733 1 778 . 1 1 68 68 TYR CB C 13 37.806 0.190 . 1 . . . A 68 TYR CB . 18733 1 779 . 1 1 68 68 TYR CD1 C 13 133.324 0.190 . 1 . . . A 68 TYR CD1 . 18733 1 780 . 1 1 68 68 TYR CD2 C 13 133.324 0.190 . 1 . . . A 68 TYR CD2 . 18733 1 781 . 1 1 68 68 TYR CE1 C 13 117.897 0.190 . 1 . . . A 68 TYR CE1 . 18733 1 782 . 1 1 68 68 TYR CE2 C 13 117.897 0.190 . 1 . . . A 68 TYR CE2 . 18733 1 783 . 1 1 68 68 TYR N N 15 119.790 0.120 . 1 . . . A 68 TYR N . 18733 1 784 . 1 1 69 69 TYR H H 1 8.398 0.009 . 1 . . . A 69 TYR H . 18733 1 785 . 1 1 69 69 TYR HA H 1 4.057 0.009 . 1 . . . A 69 TYR HA . 18733 1 786 . 1 1 69 69 TYR HB2 H 1 3.727 0.009 . 1 . . . A 69 TYR HB2 . 18733 1 787 . 1 1 69 69 TYR HB3 H 1 2.849 0.009 . 1 . . . A 69 TYR HB3 . 18733 1 788 . 1 1 69 69 TYR HD1 H 1 7.057 0.009 . 1 . . . A 69 TYR HD1 . 18733 1 789 . 1 1 69 69 TYR HD2 H 1 7.057 0.009 . 1 . . . A 69 TYR HD2 . 18733 1 790 . 1 1 69 69 TYR HE1 H 1 6.827 0.009 . 1 . . . A 69 TYR HE1 . 18733 1 791 . 1 1 69 69 TYR HE2 H 1 6.827 0.009 . 1 . . . A 69 TYR HE2 . 18733 1 792 . 1 1 69 69 TYR CA C 13 62.536 0.190 . 1 . . . A 69 TYR CA . 18733 1 793 . 1 1 69 69 TYR CB C 13 37.582 0.190 . 1 . . . A 69 TYR CB . 18733 1 794 . 1 1 69 69 TYR CD1 C 13 132.637 0.190 . 1 . . . A 69 TYR CD1 . 18733 1 795 . 1 1 69 69 TYR CD2 C 13 132.637 0.190 . 1 . . . A 69 TYR CD2 . 18733 1 796 . 1 1 69 69 TYR CE1 C 13 119.640 0.190 . 1 . . . A 69 TYR CE1 . 18733 1 797 . 1 1 69 69 TYR CE2 C 13 119.640 0.190 . 1 . . . A 69 TYR CE2 . 18733 1 798 . 1 1 69 69 TYR N N 15 118.552 0.120 . 1 . . . A 69 TYR N . 18733 1 799 . 1 1 70 70 MET H H 1 8.937 0.009 . 1 . . . A 70 MET H . 18733 1 800 . 1 1 70 70 MET HA H 1 4.489 0.009 . 1 . . . A 70 MET HA . 18733 1 801 . 1 1 70 70 MET HB2 H 1 2.368 0.009 . 1 . . . A 70 MET HB2 . 18733 1 802 . 1 1 70 70 MET HB3 H 1 2.170 0.009 . 1 . . . A 70 MET HB3 . 18733 1 803 . 1 1 70 70 MET HG2 H 1 2.863 0.009 . 1 . . . A 70 MET HG2 . 18733 1 804 . 1 1 70 70 MET HG3 H 1 2.635 0.009 . 1 . . . A 70 MET HG3 . 18733 1 805 . 1 1 70 70 MET HE1 H 1 2.195 0.009 . 1 . . . A 70 MET HE1 . 18733 1 806 . 1 1 70 70 MET HE2 H 1 2.195 0.009 . 1 . . . A 70 MET HE2 . 18733 1 807 . 1 1 70 70 MET HE3 H 1 2.195 0.009 . 1 . . . A 70 MET HE3 . 18733 1 808 . 1 1 70 70 MET CA C 13 58.947 0.190 . 1 . . . A 70 MET CA . 18733 1 809 . 1 1 70 70 MET CB C 13 31.380 0.190 . 1 . . . A 70 MET CB . 18733 1 810 . 1 1 70 70 MET CG C 13 32.076 0.190 . 1 . . . A 70 MET CG . 18733 1 811 . 1 1 70 70 MET CE C 13 16.369 0.190 . 1 . . . A 70 MET CE . 18733 1 812 . 1 1 70 70 MET N N 15 117.939 0.120 . 1 . . . A 70 MET N . 18733 1 813 . 1 1 71 71 ASP H H 1 8.096 0.009 . 1 . . . A 71 ASP H . 18733 1 814 . 1 1 71 71 ASP HA H 1 4.390 0.009 . 1 . . . A 71 ASP HA . 18733 1 815 . 1 1 71 71 ASP HB2 H 1 2.799 0.009 . 1 . . . A 71 ASP HB2 . 18733 1 816 . 1 1 71 71 ASP HB3 H 1 2.536 0.009 . 1 . . . A 71 ASP HB3 . 18733 1 817 . 1 1 71 71 ASP CA C 13 57.730 0.190 . 1 . . . A 71 ASP CA . 18733 1 818 . 1 1 71 71 ASP CB C 13 40.050 0.190 . 1 . . . A 71 ASP CB . 18733 1 819 . 1 1 71 71 ASP N N 15 120.118 0.120 . 1 . . . A 71 ASP N . 18733 1 820 . 1 1 72 72 ARG H H 1 7.775 0.009 . 1 . . . A 72 ARG H . 18733 1 821 . 1 1 72 72 ARG HA H 1 4.107 0.009 . 1 . . . A 72 ARG HA . 18733 1 822 . 1 1 72 72 ARG HB2 H 1 1.860 0.009 . 1 . . . A 72 ARG HB2 . 18733 1 823 . 1 1 72 72 ARG HB3 H 1 1.810 0.009 . 1 . . . A 72 ARG HB3 . 18733 1 824 . 1 1 72 72 ARG HG2 H 1 1.219 0.009 . 1 . . . A 72 ARG HG2 . 18733 1 825 . 1 1 72 72 ARG HG3 H 1 1.424 0.009 . 1 . . . A 72 ARG HG3 . 18733 1 826 . 1 1 72 72 ARG HD2 H 1 2.952 0.009 . 1 . . . A 72 ARG HD2 . 18733 1 827 . 1 1 72 72 ARG HD3 H 1 2.983 0.009 . 1 . . . A 72 ARG HD3 . 18733 1 828 . 1 1 72 72 ARG HE H 1 7.393 0.009 . 1 . . . A 72 ARG HE . 18733 1 829 . 1 1 72 72 ARG CA C 13 58.260 0.190 . 1 . . . A 72 ARG CA . 18733 1 830 . 1 1 72 72 ARG CB C 13 31.091 0.190 . 1 . . . A 72 ARG CB . 18733 1 831 . 1 1 72 72 ARG CG C 13 25.364 0.190 . 1 . . . A 72 ARG CG . 18733 1 832 . 1 1 72 72 ARG CD C 13 42.987 0.190 . 1 . . . A 72 ARG CD . 18733 1 833 . 1 1 72 72 ARG N N 15 118.091 0.120 . 1 . . . A 72 ARG N . 18733 1 834 . 1 1 72 72 ARG NE N 15 84.577 0.120 . 1 . . . A 72 ARG NE . 18733 1 835 . 1 1 73 73 TYR H H 1 8.627 0.009 . 1 . . . A 73 TYR H . 18733 1 836 . 1 1 73 73 TYR HA H 1 4.178 0.009 . 1 . . . A 73 TYR HA . 18733 1 837 . 1 1 73 73 TYR HB2 H 1 2.965 0.009 . 1 . . . A 73 TYR HB2 . 18733 1 838 . 1 1 73 73 TYR HB3 H 1 2.799 0.009 . 1 . . . A 73 TYR HB3 . 18733 1 839 . 1 1 73 73 TYR HD1 H 1 6.685 0.009 . 1 . . . A 73 TYR HD1 . 18733 1 840 . 1 1 73 73 TYR HD2 H 1 6.685 0.009 . 1 . . . A 73 TYR HD2 . 18733 1 841 . 1 1 73 73 TYR HE1 H 1 6.147 0.009 . 1 . . . A 73 TYR HE1 . 18733 1 842 . 1 1 73 73 TYR HE2 H 1 6.147 0.009 . 1 . . . A 73 TYR HE2 . 18733 1 843 . 1 1 73 73 TYR CA C 13 61.440 0.190 . 1 . . . A 73 TYR CA . 18733 1 844 . 1 1 73 73 TYR CB C 13 38.677 0.190 . 1 . . . A 73 TYR CB . 18733 1 845 . 1 1 73 73 TYR CD1 C 13 132.251 0.190 . 1 . . . A 73 TYR CD1 . 18733 1 846 . 1 1 73 73 TYR CD2 C 13 132.251 0.190 . 1 . . . A 73 TYR CD2 . 18733 1 847 . 1 1 73 73 TYR CE1 C 13 116.792 0.190 . 1 . . . A 73 TYR CE1 . 18733 1 848 . 1 1 73 73 TYR CE2 C 13 116.792 0.190 . 1 . . . A 73 TYR CE2 . 18733 1 849 . 1 1 73 73 TYR N N 15 121.878 0.120 . 1 . . . A 73 TYR N . 18733 1 850 . 1 1 74 74 LYS H H 1 8.462 0.009 . 1 . . . A 74 LYS H . 18733 1 851 . 1 1 74 74 LYS HA H 1 3.564 0.009 . 1 . . . A 74 LYS HA . 18733 1 852 . 1 1 74 74 LYS HB2 H 1 2.069 0.009 . 1 . . . A 74 LYS HB2 . 18733 1 853 . 1 1 74 74 LYS HB3 H 1 1.952 0.009 . 1 . . . A 74 LYS HB3 . 18733 1 854 . 1 1 74 74 LYS HG2 H 1 1.338 0.009 . 1 . . . A 74 LYS HG2 . 18733 1 855 . 1 1 74 74 LYS HG3 H 1 1.338 0.009 . 1 . . . A 74 LYS QG . 18733 1 856 . 1 1 74 74 LYS HD2 H 1 1.665 0.009 . 1 . . . A 74 LYS HD2 . 18733 1 857 . 1 1 74 74 LYS HD3 H 1 1.665 0.009 . 1 . . . A 74 LYS QD . 18733 1 858 . 1 1 74 74 LYS HE2 H 1 2.907 0.009 . 1 . . . A 74 LYS HE2 . 18733 1 859 . 1 1 74 74 LYS HE3 H 1 2.907 0.009 . 1 . . . A 74 LYS QE . 18733 1 860 . 1 1 74 74 LYS CA C 13 60.621 0.190 . 1 . . . A 74 LYS CA . 18733 1 861 . 1 1 74 74 LYS CB C 13 32.225 0.190 . 1 . . . A 74 LYS CB . 18733 1 862 . 1 1 74 74 LYS CG C 13 24.661 0.190 . 1 . . . A 74 LYS CG . 18733 1 863 . 1 1 74 74 LYS CD C 13 29.515 0.190 . 1 . . . A 74 LYS CD . 18733 1 864 . 1 1 74 74 LYS CE C 13 42.137 0.190 . 1 . . . A 74 LYS CE . 18733 1 865 . 1 1 74 74 LYS N N 15 119.791 0.120 . 1 . . . A 74 LYS N . 18733 1 866 . 1 1 75 75 GLU H H 1 7.363 0.009 . 1 . . . A 75 GLU H . 18733 1 867 . 1 1 75 75 GLU HA H 1 4.004 0.009 . 1 . . . A 75 GLU HA . 18733 1 868 . 1 1 75 75 GLU HB2 H 1 2.037 0.009 . 1 . . . A 75 GLU HB2 . 18733 1 869 . 1 1 75 75 GLU HB3 H 1 2.273 0.009 . 1 . . . A 75 GLU HB3 . 18733 1 870 . 1 1 75 75 GLU HG2 H 1 2.447 0.009 . 1 . . . A 75 GLU HG2 . 18733 1 871 . 1 1 75 75 GLU HG3 H 1 2.281 0.009 . 1 . . . A 75 GLU HG3 . 18733 1 872 . 1 1 75 75 GLU CA C 13 59.293 0.190 . 1 . . . A 75 GLU CA . 18733 1 873 . 1 1 75 75 GLU CB C 13 29.627 0.190 . 1 . . . A 75 GLU CB . 18733 1 874 . 1 1 75 75 GLU CG C 13 36.041 0.190 . 1 . . . A 75 GLU CG . 18733 1 875 . 1 1 75 75 GLU N N 15 116.140 0.120 . 1 . . . A 75 GLU N . 18733 1 876 . 1 1 76 76 MET H H 1 8.028 0.009 . 1 . . . A 76 MET H . 18733 1 877 . 1 1 76 76 MET HA H 1 4.250 0.009 . 1 . . . A 76 MET HA . 18733 1 878 . 1 1 76 76 MET HB2 H 1 1.571 0.009 . 1 . . . A 76 MET HB2 . 18733 1 879 . 1 1 76 76 MET HB3 H 1 1.877 0.009 . 1 . . . A 76 MET HB3 . 18733 1 880 . 1 1 76 76 MET HG2 H 1 3.214 0.009 . 1 . . . A 76 MET HG2 . 18733 1 881 . 1 1 76 76 MET HG3 H 1 2.842 0.009 . 1 . . . A 76 MET HG3 . 18733 1 882 . 1 1 76 76 MET HE1 H 1 2.445 0.009 . 1 . . . A 76 MET HE1 . 18733 1 883 . 1 1 76 76 MET HE2 H 1 2.445 0.009 . 1 . . . A 76 MET HE2 . 18733 1 884 . 1 1 76 76 MET HE3 H 1 2.445 0.009 . 1 . . . A 76 MET HE3 . 18733 1 885 . 1 1 76 76 MET CA C 13 60.058 0.190 . 1 . . . A 76 MET CA . 18733 1 886 . 1 1 76 76 MET CB C 13 32.751 0.190 . 1 . . . A 76 MET CB . 18733 1 887 . 1 1 76 76 MET CG C 13 33.524 0.190 . 1 . . . A 76 MET CG . 18733 1 888 . 1 1 76 76 MET CE C 13 18.693 0.190 . 1 . . . A 76 MET CE . 18733 1 889 . 1 1 76 76 MET N N 15 119.200 0.120 . 1 . . . A 76 MET N . 18733 1 890 . 1 1 77 77 LEU H H 1 9.415 0.009 . 1 . . . A 77 LEU H . 18733 1 891 . 1 1 77 77 LEU HA H 1 3.703 0.009 . 1 . . . A 77 LEU HA . 18733 1 892 . 1 1 77 77 LEU HB2 H 1 0.766 0.009 . 1 . . . A 77 LEU HB2 . 18733 1 893 . 1 1 77 77 LEU HB3 H 1 1.357 0.009 . 1 . . . A 77 LEU HB3 . 18733 1 894 . 1 1 77 77 LEU HG H 1 1.197 0.009 . 1 . . . A 77 LEU HG . 18733 1 895 . 1 1 77 77 LEU HD11 H 1 0.572 0.009 . 1 . . . A 77 LEU HD11 . 18733 1 896 . 1 1 77 77 LEU HD12 H 1 0.572 0.009 . 1 . . . A 77 LEU HD12 . 18733 1 897 . 1 1 77 77 LEU HD13 H 1 0.572 0.009 . 1 . . . A 77 LEU HD13 . 18733 1 898 . 1 1 77 77 LEU HD21 H 1 0.791 0.009 . 1 . . . A 77 LEU HD21 . 18733 1 899 . 1 1 77 77 LEU HD22 H 1 0.791 0.009 . 1 . . . A 77 LEU HD22 . 18733 1 900 . 1 1 77 77 LEU HD23 H 1 0.791 0.009 . 1 . . . A 77 LEU HD23 . 18733 1 901 . 1 1 77 77 LEU CA C 13 58.589 0.190 . 1 . . . A 77 LEU CA . 18733 1 902 . 1 1 77 77 LEU CB C 13 41.650 0.190 . 1 . . . A 77 LEU CB . 18733 1 903 . 1 1 77 77 LEU CG C 13 26.698 0.190 . 1 . . . A 77 LEU CG . 18733 1 904 . 1 1 77 77 LEU CD1 C 13 24.005 0.190 . 1 . . . A 77 LEU CD1 . 18733 1 905 . 1 1 77 77 LEU CD2 C 13 26.419 0.190 . 1 . . . A 77 LEU CD2 . 18733 1 906 . 1 1 77 77 LEU N N 15 125.191 0.120 . 1 . . . A 77 LEU N . 18733 1 907 . 1 1 78 78 ASP H H 1 8.493 0.009 . 1 . . . A 78 ASP H . 18733 1 908 . 1 1 78 78 ASP HA H 1 4.177 0.009 . 1 . . . A 78 ASP HA . 18733 1 909 . 1 1 78 78 ASP HB2 H 1 2.682 0.009 . 1 . . . A 78 ASP HB2 . 18733 1 910 . 1 1 78 78 ASP HB3 H 1 2.682 0.009 . 1 . . . A 78 ASP QB . 18733 1 911 . 1 1 78 78 ASP CA C 13 58.584 0.190 . 1 . . . A 78 ASP CA . 18733 1 912 . 1 1 78 78 ASP CB C 13 42.352 0.190 . 1 . . . A 78 ASP CB . 18733 1 913 . 1 1 78 78 ASP N N 15 119.843 0.120 . 1 . . . A 78 ASP N . 18733 1 914 . 1 1 79 79 ALA H H 1 7.591 0.009 . 1 . . . A 79 ALA H . 18733 1 915 . 1 1 79 79 ALA HA H 1 4.077 0.009 . 1 . . . A 79 ALA HA . 18733 1 916 . 1 1 79 79 ALA HB1 H 1 1.607 0.009 . 1 . . . A 79 ALA HB1 . 18733 1 917 . 1 1 79 79 ALA HB2 H 1 1.607 0.009 . 1 . . . A 79 ALA HB2 . 18733 1 918 . 1 1 79 79 ALA HB3 H 1 1.607 0.009 . 1 . . . A 79 ALA HB3 . 18733 1 919 . 1 1 79 79 ALA CA C 13 55.317 0.190 . 1 . . . A 79 ALA CA . 18733 1 920 . 1 1 79 79 ALA CB C 13 18.335 0.190 . 1 . . . A 79 ALA CB . 18733 1 921 . 1 1 79 79 ALA N N 15 117.168 0.120 . 1 . . . A 79 ALA N . 18733 1 922 . 1 1 80 80 ASN H H 1 7.771 0.009 . 1 . . . A 80 ASN H . 18733 1 923 . 1 1 80 80 ASN HA H 1 4.416 0.009 . 1 . . . A 80 ASN HA . 18733 1 924 . 1 1 80 80 ASN HB2 H 1 2.302 0.009 . 1 . . . A 80 ASN HB2 . 18733 1 925 . 1 1 80 80 ASN HB3 H 1 2.170 0.009 . 1 . . . A 80 ASN HB3 . 18733 1 926 . 1 1 80 80 ASN HD21 H 1 6.408 0.009 . 1 . . . A 80 ASN HD21 . 18733 1 927 . 1 1 80 80 ASN HD22 H 1 6.412 0.009 . 1 . . . A 80 ASN HD22 . 18733 1 928 . 1 1 80 80 ASN CA C 13 57.791 0.190 . 1 . . . A 80 ASN CA . 18733 1 929 . 1 1 80 80 ASN CB C 13 40.251 0.190 . 1 . . . A 80 ASN CB . 18733 1 930 . 1 1 80 80 ASN N N 15 115.882 0.120 . 1 . . . A 80 ASN N . 18733 1 931 . 1 1 80 80 ASN ND2 N 15 108.519 0.120 . 1 . . . A 80 ASN ND2 . 18733 1 932 . 1 1 81 81 MET H H 1 9.082 0.009 . 1 . . . A 81 MET H . 18733 1 933 . 1 1 81 81 MET HA H 1 4.129 0.009 . 1 . . . A 81 MET HA . 18733 1 934 . 1 1 81 81 MET HB2 H 1 1.575 0.009 . 1 . . . A 81 MET HB2 . 18733 1 935 . 1 1 81 81 MET HB3 H 1 2.546 0.009 . 1 . . . A 81 MET HB3 . 18733 1 936 . 1 1 81 81 MET HG2 H 1 2.563 0.009 . 1 . . . A 81 MET HG2 . 18733 1 937 . 1 1 81 81 MET HG3 H 1 2.563 0.009 . 1 . . . A 81 MET QG . 18733 1 938 . 1 1 81 81 MET HE1 H 1 2.019 0.009 . 1 . . . A 81 MET HE1 . 18733 1 939 . 1 1 81 81 MET HE2 H 1 2.019 0.009 . 1 . . . A 81 MET HE2 . 18733 1 940 . 1 1 81 81 MET HE3 H 1 2.019 0.009 . 1 . . . A 81 MET HE3 . 18733 1 941 . 1 1 81 81 MET CA C 13 58.954 0.190 . 1 . . . A 81 MET CA . 18733 1 942 . 1 1 81 81 MET CB C 13 31.937 0.190 . 1 . . . A 81 MET CB . 18733 1 943 . 1 1 81 81 MET CG C 13 34.125 0.190 . 1 . . . A 81 MET CG . 18733 1 944 . 1 1 81 81 MET CE C 13 18.665 0.190 . 1 . . . A 81 MET CE . 18733 1 945 . 1 1 81 81 MET N N 15 120.945 0.120 . 1 . . . A 81 MET N . 18733 1 946 . 1 1 82 82 GLU H H 1 8.469 0.009 . 1 . . . A 82 GLU H . 18733 1 947 . 1 1 82 82 GLU HA H 1 3.979 0.009 . 1 . . . A 82 GLU HA . 18733 1 948 . 1 1 82 82 GLU HB2 H 1 1.985 0.009 . 1 . . . A 82 GLU HB2 . 18733 1 949 . 1 1 82 82 GLU HB3 H 1 2.082 0.009 . 1 . . . A 82 GLU HB3 . 18733 1 950 . 1 1 82 82 GLU HG2 H 1 2.319 0.009 . 1 . . . A 82 GLU HG2 . 18733 1 951 . 1 1 82 82 GLU HG3 H 1 2.174 0.009 . 1 . . . A 82 GLU HG3 . 18733 1 952 . 1 1 82 82 GLU CA C 13 59.214 0.190 . 1 . . . A 82 GLU CA . 18733 1 953 . 1 1 82 82 GLU CB C 13 29.207 0.190 . 1 . . . A 82 GLU CB . 18733 1 954 . 1 1 82 82 GLU CG C 13 36.244 0.190 . 1 . . . A 82 GLU CG . 18733 1 955 . 1 1 82 82 GLU N N 15 116.578 0.120 . 1 . . . A 82 GLU N . 18733 1 956 . 1 1 83 83 ASP H H 1 7.668 0.009 . 1 . . . A 83 ASP H . 18733 1 957 . 1 1 83 83 ASP HA H 1 4.399 0.009 . 1 . . . A 83 ASP HA . 18733 1 958 . 1 1 83 83 ASP HB2 H 1 3.012 0.009 . 1 . . . A 83 ASP HB2 . 18733 1 959 . 1 1 83 83 ASP HB3 H 1 2.888 0.009 . 1 . . . A 83 ASP HB3 . 18733 1 960 . 1 1 83 83 ASP CA C 13 57.554 0.190 . 1 . . . A 83 ASP CA . 18733 1 961 . 1 1 83 83 ASP CB C 13 42.088 0.190 . 1 . . . A 83 ASP CB . 18733 1 962 . 1 1 83 83 ASP N N 15 119.199 0.120 . 1 . . . A 83 ASP N . 18733 1 963 . 1 1 84 84 TYR H H 1 7.961 0.009 . 1 . . . A 84 TYR H . 18733 1 964 . 1 1 84 84 TYR HA H 1 3.931 0.009 . 1 . . . A 84 TYR HA . 18733 1 965 . 1 1 84 84 TYR HB2 H 1 2.794 0.009 . 1 . . . A 84 TYR HB2 . 18733 1 966 . 1 1 84 84 TYR HB3 H 1 2.854 0.009 . 1 . . . A 84 TYR HB3 . 18733 1 967 . 1 1 84 84 TYR HD1 H 1 6.916 0.009 . 1 . . . A 84 TYR HD1 . 18733 1 968 . 1 1 84 84 TYR HD2 H 1 6.916 0.009 . 1 . . . A 84 TYR HD2 . 18733 1 969 . 1 1 84 84 TYR HE1 H 1 6.192 0.009 . 1 . . . A 84 TYR HE1 . 18733 1 970 . 1 1 84 84 TYR HE2 H 1 6.192 0.009 . 1 . . . A 84 TYR HE2 . 18733 1 971 . 1 1 84 84 TYR CA C 13 63.663 0.190 . 1 . . . A 84 TYR CA . 18733 1 972 . 1 1 84 84 TYR CB C 13 39.134 0.190 . 1 . . . A 84 TYR CB . 18733 1 973 . 1 1 84 84 TYR CD1 C 13 132.489 0.190 . 1 . . . A 84 TYR CD1 . 18733 1 974 . 1 1 84 84 TYR CD2 C 13 132.489 0.190 . 1 . . . A 84 TYR CD2 . 18733 1 975 . 1 1 84 84 TYR CE1 C 13 117.408 0.190 . 1 . . . A 84 TYR CE1 . 18733 1 976 . 1 1 84 84 TYR CE2 C 13 117.412 0.190 . 1 . . . A 84 TYR CE2 . 18733 1 977 . 1 1 84 84 TYR N N 15 117.904 0.120 . 1 . . . A 84 TYR N . 18733 1 978 . 1 1 85 85 ILE H H 1 8.174 0.009 . 1 . . . A 85 ILE H . 18733 1 979 . 1 1 85 85 ILE HA H 1 3.752 0.009 . 1 . . . A 85 ILE HA . 18733 1 980 . 1 1 85 85 ILE HB H 1 1.787 0.009 . 1 . . . A 85 ILE HB . 18733 1 981 . 1 1 85 85 ILE HG12 H 1 1.992 0.009 . 1 . . . A 85 ILE HG12 . 18733 1 982 . 1 1 85 85 ILE HG13 H 1 0.513 0.009 . 1 . . . A 85 ILE HG13 . 18733 1 983 . 1 1 85 85 ILE HG21 H 1 0.796 0.009 . 1 . . . A 85 ILE HG21 . 18733 1 984 . 1 1 85 85 ILE HG22 H 1 0.796 0.009 . 1 . . . A 85 ILE HG22 . 18733 1 985 . 1 1 85 85 ILE HG23 H 1 0.796 0.009 . 1 . . . A 85 ILE HG23 . 18733 1 986 . 1 1 85 85 ILE HD11 H 1 0.670 0.009 . 1 . . . A 85 ILE HD11 . 18733 1 987 . 1 1 85 85 ILE HD12 H 1 0.670 0.009 . 1 . . . A 85 ILE HD12 . 18733 1 988 . 1 1 85 85 ILE HD13 H 1 0.670 0.009 . 1 . . . A 85 ILE HD13 . 18733 1 989 . 1 1 85 85 ILE CA C 13 66.287 0.190 . 1 . . . A 85 ILE CA . 18733 1 990 . 1 1 85 85 ILE CB C 13 38.815 0.190 . 1 . . . A 85 ILE CB . 18733 1 991 . 1 1 85 85 ILE CG1 C 13 31.056 0.190 . 1 . . . A 85 ILE CG1 . 18733 1 992 . 1 1 85 85 ILE CG2 C 13 18.376 0.190 . 1 . . . A 85 ILE CG2 . 18733 1 993 . 1 1 85 85 ILE CD1 C 13 14.902 0.190 . 1 . . . A 85 ILE CD1 . 18733 1 994 . 1 1 85 85 ILE N N 15 116.362 0.120 . 1 . . . A 85 ILE N . 18733 1 995 . 1 1 86 86 GLU H H 1 8.585 0.009 . 1 . . . A 86 GLU H . 18733 1 996 . 1 1 86 86 GLU HA H 1 3.896 0.009 . 1 . . . A 86 GLU HA . 18733 1 997 . 1 1 86 86 GLU HB2 H 1 1.945 0.009 . 1 . . . A 86 GLU HB2 . 18733 1 998 . 1 1 86 86 GLU HB3 H 1 2.112 0.009 . 1 . . . A 86 GLU HB3 . 18733 1 999 . 1 1 86 86 GLU HG2 H 1 2.198 0.009 . 1 . . . A 86 GLU HG2 . 18733 1 1000 . 1 1 86 86 GLU HG3 H 1 2.198 0.009 . 1 . . . A 86 GLU QG . 18733 1 1001 . 1 1 86 86 GLU CA C 13 59.290 0.190 . 1 . . . A 86 GLU CA . 18733 1 1002 . 1 1 86 86 GLU CB C 13 29.660 0.190 . 1 . . . A 86 GLU CB . 18733 1 1003 . 1 1 86 86 GLU CG C 13 35.799 0.190 . 1 . . . A 86 GLU CG . 18733 1 1004 . 1 1 86 86 GLU N N 15 117.696 0.120 . 1 . . . A 86 GLU N . 18733 1 1005 . 1 1 87 87 ASN H H 1 8.040 0.009 . 1 . . . A 87 ASN H . 18733 1 1006 . 1 1 87 87 ASN HA H 1 4.933 0.009 . 1 . . . A 87 ASN HA . 18733 1 1007 . 1 1 87 87 ASN HB2 H 1 2.305 0.009 . 1 . . . A 87 ASN HB2 . 18733 1 1008 . 1 1 87 87 ASN HB3 H 1 2.066 0.009 . 1 . . . A 87 ASN HB3 . 18733 1 1009 . 1 1 87 87 ASN HD21 H 1 7.596 0.009 . 1 . . . A 87 ASN HD21 . 18733 1 1010 . 1 1 87 87 ASN HD22 H 1 6.996 0.009 . 1 . . . A 87 ASN HD22 . 18733 1 1011 . 1 1 87 87 ASN CA C 13 52.462 0.190 . 1 . . . A 87 ASN CA . 18733 1 1012 . 1 1 87 87 ASN CB C 13 38.847 0.190 . 1 . . . A 87 ASN CB . 18733 1 1013 . 1 1 87 87 ASN N N 15 113.943 0.120 . 1 . . . A 87 ASN N . 18733 1 1014 . 1 1 87 87 ASN ND2 N 15 118.349 0.120 . 1 . . . A 87 ASN ND2 . 18733 1 1015 . 1 1 88 88 PHE H H 1 7.083 0.009 . 1 . . . A 88 PHE H . 18733 1 1016 . 1 1 88 88 PHE HA H 1 4.141 0.009 . 1 . . . A 88 PHE HA . 18733 1 1017 . 1 1 88 88 PHE HB2 H 1 3.936 0.009 . 1 . . . A 88 PHE HB2 . 18733 1 1018 . 1 1 88 88 PHE HB3 H 1 2.832 0.009 . 1 . . . A 88 PHE HB3 . 18733 1 1019 . 1 1 88 88 PHE HD1 H 1 7.376 0.009 . 1 . . . A 88 PHE HD1 . 18733 1 1020 . 1 1 88 88 PHE HD2 H 1 7.376 0.009 . 1 . . . A 88 PHE HD2 . 18733 1 1021 . 1 1 88 88 PHE HE1 H 1 7.205 0.009 . 1 . . . A 88 PHE HE1 . 18733 1 1022 . 1 1 88 88 PHE HE2 H 1 7.205 0.009 . 1 . . . A 88 PHE HE2 . 18733 1 1023 . 1 1 88 88 PHE CA C 13 63.888 0.190 . 1 . . . A 88 PHE CA . 18733 1 1024 . 1 1 88 88 PHE CB C 13 41.768 0.190 . 1 . . . A 88 PHE CB . 18733 1 1025 . 1 1 88 88 PHE CD1 C 13 132.604 0.190 . 1 . . . A 88 PHE CD1 . 18733 1 1026 . 1 1 88 88 PHE CD2 C 13 132.604 0.190 . 1 . . . A 88 PHE CD2 . 18733 1 1027 . 1 1 88 88 PHE CE1 C 13 130.880 0.190 . 1 . . . A 88 PHE CE1 . 18733 1 1028 . 1 1 88 88 PHE CE2 C 13 130.880 0.190 . 1 . . . A 88 PHE CE2 . 18733 1 1029 . 1 1 88 88 PHE N N 15 123.733 0.120 . 1 . . . A 88 PHE N . 18733 1 1030 . 1 1 89 89 ASP H H 1 8.700 0.009 . 1 . . . A 89 ASP H . 18733 1 1031 . 1 1 89 89 ASP HA H 1 4.386 0.009 . 1 . . . A 89 ASP HA . 18733 1 1032 . 1 1 89 89 ASP HB2 H 1 2.676 0.009 . 1 . . . A 89 ASP HB2 . 18733 1 1033 . 1 1 89 89 ASP HB3 H 1 2.510 0.009 . 1 . . . A 89 ASP HB3 . 18733 1 1034 . 1 1 89 89 ASP CA C 13 57.468 0.190 . 1 . . . A 89 ASP CA . 18733 1 1035 . 1 1 89 89 ASP CB C 13 39.886 0.190 . 1 . . . A 89 ASP CB . 18733 1 1036 . 1 1 89 89 ASP N N 15 117.257 0.120 . 1 . . . A 89 ASP N . 18733 1 1037 . 1 1 90 90 HIS H H 1 7.932 0.009 . 1 . . . A 90 HIS H . 18733 1 1038 . 1 1 90 90 HIS HA H 1 4.294 0.009 . 1 . . . A 90 HIS HA . 18733 1 1039 . 1 1 90 90 HIS HB2 H 1 2.915 0.009 . 1 . . . A 90 HIS HB2 . 18733 1 1040 . 1 1 90 90 HIS HB3 H 1 2.796 0.009 . 1 . . . A 90 HIS HB3 . 18733 1 1041 . 1 1 90 90 HIS HD2 H 1 6.162 0.009 . 1 . . . A 90 HIS HD2 . 18733 1 1042 . 1 1 90 90 HIS HE1 H 1 7.750 0.009 . 1 . . . A 90 HIS HE1 . 18733 1 1043 . 1 1 90 90 HIS CA C 13 59.081 0.190 . 1 . . . A 90 HIS CA . 18733 1 1044 . 1 1 90 90 HIS CB C 13 29.949 0.190 . 1 . . . A 90 HIS CB . 18733 1 1045 . 1 1 90 90 HIS CD2 C 13 119.536 0.190 . 1 . . . A 90 HIS CD2 . 18733 1 1046 . 1 1 90 90 HIS CE1 C 13 138.245 0.190 . 1 . . . A 90 HIS CE1 . 18733 1 1047 . 1 1 90 90 HIS N N 15 121.385 0.120 . 1 . . . A 90 HIS N . 18733 1 1048 . 1 1 91 91 TYR H H 1 8.159 0.009 . 1 . . . A 91 TYR H . 18733 1 1049 . 1 1 91 91 TYR HA H 1 4.192 0.009 . 1 . . . A 91 TYR HA . 18733 1 1050 . 1 1 91 91 TYR HB2 H 1 3.053 0.009 . 1 . . . A 91 TYR HB2 . 18733 1 1051 . 1 1 91 91 TYR HB3 H 1 2.559 0.009 . 1 . . . A 91 TYR HB3 . 18733 1 1052 . 1 1 91 91 TYR HD1 H 1 6.582 0.009 . 1 . . . A 91 TYR HD1 . 18733 1 1053 . 1 1 91 91 TYR HD2 H 1 6.582 0.009 . 1 . . . A 91 TYR HD2 . 18733 1 1054 . 1 1 91 91 TYR HE1 H 1 6.350 0.009 . 1 . . . A 91 TYR HE1 . 18733 1 1055 . 1 1 91 91 TYR HE2 H 1 6.350 0.009 . 1 . . . A 91 TYR HE2 . 18733 1 1056 . 1 1 91 91 TYR CA C 13 59.618 0.190 . 1 . . . A 91 TYR CA . 18733 1 1057 . 1 1 91 91 TYR CB C 13 36.860 0.190 . 1 . . . A 91 TYR CB . 18733 1 1058 . 1 1 91 91 TYR CD1 C 13 132.156 0.190 . 1 . . . A 91 TYR CD1 . 18733 1 1059 . 1 1 91 91 TYR CD2 C 13 132.156 0.190 . 1 . . . A 91 TYR CD2 . 18733 1 1060 . 1 1 91 91 TYR CE1 C 13 117.465 0.190 . 1 . . . A 91 TYR CE1 . 18733 1 1061 . 1 1 91 91 TYR CE2 C 13 117.465 0.190 . 1 . . . A 91 TYR CE2 . 18733 1 1062 . 1 1 91 91 TYR N N 15 118.440 0.120 . 1 . . . A 91 TYR N . 18733 1 1063 . 1 1 92 92 ARG H H 1 7.891 0.009 . 1 . . . A 92 ARG H . 18733 1 1064 . 1 1 92 92 ARG HA H 1 4.023 0.009 . 1 . . . A 92 ARG HA . 18733 1 1065 . 1 1 92 92 ARG HB2 H 1 1.756 0.009 . 1 . . . A 92 ARG HB2 . 18733 1 1066 . 1 1 92 92 ARG HB3 H 1 1.656 0.009 . 1 . . . A 92 ARG HB3 . 18733 1 1067 . 1 1 92 92 ARG HG2 H 1 1.537 0.009 . 1 . . . A 92 ARG HG2 . 18733 1 1068 . 1 1 92 92 ARG HG3 H 1 1.408 0.009 . 1 . . . A 92 ARG HG3 . 18733 1 1069 . 1 1 92 92 ARG HD2 H 1 3.075 0.009 . 1 . . . A 92 ARG HD2 . 18733 1 1070 . 1 1 92 92 ARG HD3 H 1 3.075 0.009 . 1 . . . A 92 ARG QD . 18733 1 1071 . 1 1 92 92 ARG HE H 1 6.943 0.009 . 1 . . . A 92 ARG HE . 18733 1 1072 . 1 1 92 92 ARG CA C 13 57.308 0.190 . 1 . . . A 92 ARG CA . 18733 1 1073 . 1 1 92 92 ARG CB C 13 29.129 0.190 . 1 . . . A 92 ARG CB . 18733 1 1074 . 1 1 92 92 ARG CG C 13 26.336 0.190 . 1 . . . A 92 ARG CG . 18733 1 1075 . 1 1 92 92 ARG CD C 13 42.270 0.190 . 1 . . . A 92 ARG CD . 18733 1 1076 . 1 1 92 92 ARG N N 15 119.028 0.120 . 1 . . . A 92 ARG N . 18733 1 1077 . 1 1 92 92 ARG NE N 15 83.047 0.120 . 1 . . . A 92 ARG NE . 18733 1 1078 . 1 1 93 93 ALA H H 1 7.593 0.009 . 1 . . . A 93 ALA H . 18733 1 1079 . 1 1 93 93 ALA HA H 1 4.211 0.009 . 1 . . . A 93 ALA HA . 18733 1 1080 . 1 1 93 93 ALA HB1 H 1 1.419 0.009 . 1 . . . A 93 ALA HB1 . 18733 1 1081 . 1 1 93 93 ALA HB2 H 1 1.419 0.009 . 1 . . . A 93 ALA HB2 . 18733 1 1082 . 1 1 93 93 ALA HB3 H 1 1.419 0.009 . 1 . . . A 93 ALA HB3 . 18733 1 1083 . 1 1 93 93 ALA CA C 13 53.603 0.190 . 1 . . . A 93 ALA CA . 18733 1 1084 . 1 1 93 93 ALA CB C 13 18.864 0.190 . 1 . . . A 93 ALA CB . 18733 1 1085 . 1 1 93 93 ALA N N 15 120.513 0.120 . 1 . . . A 93 ALA N . 18733 1 1086 . 1 1 94 94 THR H H 1 7.574 0.009 . 1 . . . A 94 THR H . 18733 1 1087 . 1 1 94 94 THR HA H 1 4.249 0.009 . 1 . . . A 94 THR HA . 18733 1 1088 . 1 1 94 94 THR HB H 1 4.143 0.009 . 1 . . . A 94 THR HB . 18733 1 1089 . 1 1 94 94 THR HG21 H 1 1.051 0.009 . 1 . . . A 94 THR HG21 . 18733 1 1090 . 1 1 94 94 THR HG22 H 1 1.051 0.009 . 1 . . . A 94 THR HG22 . 18733 1 1091 . 1 1 94 94 THR HG23 H 1 1.051 0.009 . 1 . . . A 94 THR HG23 . 18733 1 1092 . 1 1 94 94 THR CA C 13 62.170 0.190 . 1 . . . A 94 THR CA . 18733 1 1093 . 1 1 94 94 THR CB C 13 70.164 0.190 . 1 . . . A 94 THR CB . 18733 1 1094 . 1 1 94 94 THR CG2 C 13 21.420 0.190 . 1 . . . A 94 THR CG2 . 18733 1 1095 . 1 1 94 94 THR N N 15 108.668 0.120 . 1 . . . A 94 THR N . 18733 1 1096 . 1 1 95 95 GLN H H 1 7.899 0.009 . 1 . . . A 95 GLN H . 18733 1 1097 . 1 1 95 95 GLN HA H 1 4.288 0.009 . 1 . . . A 95 GLN HA . 18733 1 1098 . 1 1 95 95 GLN HB2 H 1 2.078 0.009 . 1 . . . A 95 GLN HB2 . 18733 1 1099 . 1 1 95 95 GLN HB3 H 1 2.027 0.009 . 1 . . . A 95 GLN HB3 . 18733 1 1100 . 1 1 95 95 GLN HG2 H 1 2.320 0.009 . 1 . . . A 95 GLN HG2 . 18733 1 1101 . 1 1 95 95 GLN HG3 H 1 2.320 0.009 . 1 . . . A 95 GLN QG . 18733 1 1102 . 1 1 95 95 GLN HE21 H 1 7.485 0.009 . 1 . . . A 95 GLN HE21 . 18733 1 1103 . 1 1 95 95 GLN HE22 H 1 6.654 0.009 . 1 . . . A 95 GLN HE22 . 18733 1 1104 . 1 1 95 95 GLN CA C 13 56.073 0.190 . 1 . . . A 95 GLN CA . 18733 1 1105 . 1 1 95 95 GLN CB C 13 28.903 0.190 . 1 . . . A 95 GLN CB . 18733 1 1106 . 1 1 95 95 GLN CG C 13 33.732 0.190 . 1 . . . A 95 GLN CG . 18733 1 1107 . 1 1 95 95 GLN N N 15 122.873 0.120 . 1 . . . A 95 GLN N . 18733 1 1108 . 1 1 95 95 GLN NE2 N 15 112.200 0.120 . 1 . . . A 95 GLN NE2 . 18733 1 1109 . 1 1 96 96 LYS H H 1 7.823 0.009 . 1 . . . A 96 LYS H . 18733 1 1110 . 1 1 96 96 LYS HA H 1 4.100 0.009 . 1 . . . A 96 LYS HA . 18733 1 1111 . 1 1 96 96 LYS HB2 H 1 1.616 0.009 . 1 . . . A 96 LYS HB2 . 18733 1 1112 . 1 1 96 96 LYS HB3 H 1 1.744 0.009 . 1 . . . A 96 LYS HB3 . 18733 1 1113 . 1 1 96 96 LYS HG2 H 1 1.299 0.009 . 1 . . . A 96 LYS HG2 . 18733 1 1114 . 1 1 96 96 LYS HG3 H 1 1.299 0.009 . 1 . . . A 96 LYS QG . 18733 1 1115 . 1 1 96 96 LYS HD2 H 1 1.571 0.009 . 1 . . . A 96 LYS HD2 . 18733 1 1116 . 1 1 96 96 LYS HD3 H 1 1.571 0.009 . 1 . . . A 96 LYS QD . 18733 1 1117 . 1 1 96 96 LYS HE2 H 1 2.902 0.009 . 1 . . . A 96 LYS HE2 . 18733 1 1118 . 1 1 96 96 LYS HE3 H 1 2.902 0.009 . 1 . . . A 96 LYS QE . 18733 1 1119 . 1 1 96 96 LYS CA C 13 57.634 0.190 . 1 . . . A 96 LYS CA . 18733 1 1120 . 1 1 96 96 LYS CB C 13 33.659 0.190 . 1 . . . A 96 LYS CB . 18733 1 1121 . 1 1 96 96 LYS CG C 13 24.637 0.190 . 1 . . . A 96 LYS CG . 18733 1 1122 . 1 1 96 96 LYS CD C 13 29.005 0.190 . 1 . . . A 96 LYS CD . 18733 1 1123 . 1 1 96 96 LYS CE C 13 42.108 0.190 . 1 . . . A 96 LYS CE . 18733 1 1124 . 1 1 96 96 LYS N N 15 128.043 0.120 . 1 . . . A 96 LYS N . 18733 1 stop_ save_