data_27428 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27428 _Entry.Title ; Methyl assignment of cap-bound form of human eukaryotic translation initiation factor 4E (eIF4E) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-18 _Entry.Accession_date 2018-03-18 _Entry.Last_release_date 2018-03-19 _Entry.Original_release_date 2018-03-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Laurent Volpon . . . . 27428 2 Michael Osborne . J. . . 27428 3 Katherine Borden . L.B. . . 27428 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27428 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 27428 '15N chemical shifts' 167 27428 '1H chemical shifts' 371 27428 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 . . 2022-05-10 . original BMRB . 27428 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27427 'Methyl assignment of human eukaryotic translation initiation factor 4E (eIF4E) in its apo form' 27428 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27428 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35026230 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Identification and Characterization of the Interaction Between the Methyl-7-Guanosine Cap Maturation Enzyme RNMT and the Cap-Binding Protein eIF4E ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 434 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 167451 _Citation.Page_last 167451 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Osborne M. J. . . 27428 1 2 Laurent Volpon L. . . . 27428 1 3 Mina Memarpoor-Yazdi M. . . . 27428 1 4 Shubhadra Pillay S. . . . 27428 1 5 Aksharh Thambipillai A. . . . 27428 1 6 Sylwia Czarnota S. . . . 27428 1 7 Biljana Culjkovic-Kraljacic B. . . . 27428 1 8 Christian Trahan C. . . . 27428 1 9 Marlene Oeffinger M. . . . 27428 1 10 Victoria Cowling V. H. . . 27428 1 11 Katherine Borden . . . . 27428 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'allosteric effect' 27428 1 cancer 27428 1 eIF4E 27428 1 m7GDP 27428 1 'post-transcriptional regulation' 27428 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27428 _Assembly.ID 1 _Assembly.Name 'monomer eIF4E' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 eIF4E 1 $eIF4E A . yes native no no . . . 27428 1 2 M7G 2 $entity_M7G A . no native no no . . . 27428 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1AP8 . . 'solution NMR' . . . 27428 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_eIF4E _Entity.Sf_category entity _Entity.Sf_framecode eIF4E _Entity.Entry_ID 27428 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name eIF4E _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MATVEPETTPTPNPPTTEEE KTESNQEVANPEHYIKHPLQ NRWALWFFKNDKSKTWQANL RLISKFDTVEDFWALYNHIQ LSSNLMPGCDYSLFKDGIEP MWEDEKNKRGGRWLITLNKQ QRRSDLDRFWLETLLCLIGE SFDDYSDDVCGAVVNVRAKG DKIAIWTTECENREAVTHIG RVYKERLGLPPKIVIGYQSH ADTATKSGSTTKNRFVV ; _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'eukaryotic translation initiation factor' 27428 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27428 1 2 . ALA . 27428 1 3 . THR . 27428 1 4 . VAL . 27428 1 5 . GLU . 27428 1 6 . PRO . 27428 1 7 . GLU . 27428 1 8 . THR . 27428 1 9 . THR . 27428 1 10 . PRO . 27428 1 11 . THR . 27428 1 12 . PRO . 27428 1 13 . ASN . 27428 1 14 . PRO . 27428 1 15 . PRO . 27428 1 16 . THR . 27428 1 17 . THR . 27428 1 18 . GLU . 27428 1 19 . GLU . 27428 1 20 . GLU . 27428 1 21 . LYS . 27428 1 22 . THR . 27428 1 23 . GLU . 27428 1 24 . SER . 27428 1 25 . ASN . 27428 1 26 . GLN . 27428 1 27 . GLU . 27428 1 28 . VAL . 27428 1 29 . ALA . 27428 1 30 . ASN . 27428 1 31 . PRO . 27428 1 32 . GLU . 27428 1 33 . HIS . 27428 1 34 . TYR . 27428 1 35 . ILE . 27428 1 36 . LYS . 27428 1 37 . HIS . 27428 1 38 . PRO . 27428 1 39 . LEU . 27428 1 40 . GLN . 27428 1 41 . ASN . 27428 1 42 . ARG . 27428 1 43 . TRP . 27428 1 44 . ALA . 27428 1 45 . LEU . 27428 1 46 . TRP . 27428 1 47 . PHE . 27428 1 48 . PHE . 27428 1 49 . LYS . 27428 1 50 . ASN . 27428 1 51 . ASP . 27428 1 52 . LYS . 27428 1 53 . SER . 27428 1 54 . LYS . 27428 1 55 . THR . 27428 1 56 . TRP . 27428 1 57 . GLN . 27428 1 58 . ALA . 27428 1 59 . ASN . 27428 1 60 . LEU . 27428 1 61 . ARG . 27428 1 62 . LEU . 27428 1 63 . ILE . 27428 1 64 . SER . 27428 1 65 . LYS . 27428 1 66 . PHE . 27428 1 67 . ASP . 27428 1 68 . THR . 27428 1 69 . VAL . 27428 1 70 . GLU . 27428 1 71 . ASP . 27428 1 72 . PHE . 27428 1 73 . TRP . 27428 1 74 . ALA . 27428 1 75 . LEU . 27428 1 76 . TYR . 27428 1 77 . ASN . 27428 1 78 . HIS . 27428 1 79 . ILE . 27428 1 80 . GLN . 27428 1 81 . LEU . 27428 1 82 . SER . 27428 1 83 . SER . 27428 1 84 . ASN . 27428 1 85 . LEU . 27428 1 86 . MET . 27428 1 87 . PRO . 27428 1 88 . GLY . 27428 1 89 . CYS . 27428 1 90 . ASP . 27428 1 91 . TYR . 27428 1 92 . SER . 27428 1 93 . LEU . 27428 1 94 . PHE . 27428 1 95 . LYS . 27428 1 96 . ASP . 27428 1 97 . GLY . 27428 1 98 . ILE . 27428 1 99 . GLU . 27428 1 100 . PRO . 27428 1 101 . MET . 27428 1 102 . TRP . 27428 1 103 . GLU . 27428 1 104 . ASP . 27428 1 105 . GLU . 27428 1 106 . LYS . 27428 1 107 . ASN . 27428 1 108 . LYS . 27428 1 109 . ARG . 27428 1 110 . GLY . 27428 1 111 . GLY . 27428 1 112 . ARG . 27428 1 113 . TRP . 27428 1 114 . LEU . 27428 1 115 . ILE . 27428 1 116 . THR . 27428 1 117 . LEU . 27428 1 118 . ASN . 27428 1 119 . LYS . 27428 1 120 . GLN . 27428 1 121 . GLN . 27428 1 122 . ARG . 27428 1 123 . ARG . 27428 1 124 . SER . 27428 1 125 . ASP . 27428 1 126 . LEU . 27428 1 127 . ASP . 27428 1 128 . ARG . 27428 1 129 . PHE . 27428 1 130 . TRP . 27428 1 131 . LEU . 27428 1 132 . GLU . 27428 1 133 . THR . 27428 1 134 . LEU . 27428 1 135 . LEU . 27428 1 136 . CYS . 27428 1 137 . LEU . 27428 1 138 . ILE . 27428 1 139 . GLY . 27428 1 140 . GLU . 27428 1 141 . SER . 27428 1 142 . PHE . 27428 1 143 . ASP . 27428 1 144 . ASP . 27428 1 145 . TYR . 27428 1 146 . SER . 27428 1 147 . ASP . 27428 1 148 . ASP . 27428 1 149 . VAL . 27428 1 150 . CYS . 27428 1 151 . GLY . 27428 1 152 . ALA . 27428 1 153 . VAL . 27428 1 154 . VAL . 27428 1 155 . ASN . 27428 1 156 . VAL . 27428 1 157 . ARG . 27428 1 158 . ALA . 27428 1 159 . LYS . 27428 1 160 . GLY . 27428 1 161 . ASP . 27428 1 162 . LYS . 27428 1 163 . ILE . 27428 1 164 . ALA . 27428 1 165 . ILE . 27428 1 166 . TRP . 27428 1 167 . THR . 27428 1 168 . THR . 27428 1 169 . GLU . 27428 1 170 . CYS . 27428 1 171 . GLU . 27428 1 172 . ASN . 27428 1 173 . ARG . 27428 1 174 . GLU . 27428 1 175 . ALA . 27428 1 176 . VAL . 27428 1 177 . THR . 27428 1 178 . HIS . 27428 1 179 . ILE . 27428 1 180 . GLY . 27428 1 181 . ARG . 27428 1 182 . VAL . 27428 1 183 . TYR . 27428 1 184 . LYS . 27428 1 185 . GLU . 27428 1 186 . ARG . 27428 1 187 . LEU . 27428 1 188 . GLY . 27428 1 189 . LEU . 27428 1 190 . PRO . 27428 1 191 . PRO . 27428 1 192 . LYS . 27428 1 193 . ILE . 27428 1 194 . VAL . 27428 1 195 . ILE . 27428 1 196 . GLY . 27428 1 197 . TYR . 27428 1 198 . GLN . 27428 1 199 . SER . 27428 1 200 . HIS . 27428 1 201 . ALA . 27428 1 202 . ASP . 27428 1 203 . THR . 27428 1 204 . ALA . 27428 1 205 . THR . 27428 1 206 . LYS . 27428 1 207 . SER . 27428 1 208 . GLY . 27428 1 209 . SER . 27428 1 210 . THR . 27428 1 211 . THR . 27428 1 212 . LYS . 27428 1 213 . ASN . 27428 1 214 . ARG . 27428 1 215 . PHE . 27428 1 216 . VAL . 27428 1 217 . VAL . 27428 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27428 1 . ALA 2 2 27428 1 . THR 3 3 27428 1 . VAL 4 4 27428 1 . GLU 5 5 27428 1 . PRO 6 6 27428 1 . GLU 7 7 27428 1 . THR 8 8 27428 1 . THR 9 9 27428 1 . PRO 10 10 27428 1 . THR 11 11 27428 1 . PRO 12 12 27428 1 . ASN 13 13 27428 1 . PRO 14 14 27428 1 . PRO 15 15 27428 1 . THR 16 16 27428 1 . THR 17 17 27428 1 . GLU 18 18 27428 1 . GLU 19 19 27428 1 . GLU 20 20 27428 1 . LYS 21 21 27428 1 . THR 22 22 27428 1 . GLU 23 23 27428 1 . SER 24 24 27428 1 . ASN 25 25 27428 1 . GLN 26 26 27428 1 . GLU 27 27 27428 1 . VAL 28 28 27428 1 . ALA 29 29 27428 1 . ASN 30 30 27428 1 . PRO 31 31 27428 1 . GLU 32 32 27428 1 . HIS 33 33 27428 1 . TYR 34 34 27428 1 . ILE 35 35 27428 1 . LYS 36 36 27428 1 . HIS 37 37 27428 1 . PRO 38 38 27428 1 . LEU 39 39 27428 1 . GLN 40 40 27428 1 . ASN 41 41 27428 1 . ARG 42 42 27428 1 . TRP 43 43 27428 1 . ALA 44 44 27428 1 . LEU 45 45 27428 1 . TRP 46 46 27428 1 . PHE 47 47 27428 1 . PHE 48 48 27428 1 . LYS 49 49 27428 1 . ASN 50 50 27428 1 . ASP 51 51 27428 1 . LYS 52 52 27428 1 . SER 53 53 27428 1 . LYS 54 54 27428 1 . THR 55 55 27428 1 . TRP 56 56 27428 1 . GLN 57 57 27428 1 . ALA 58 58 27428 1 . ASN 59 59 27428 1 . LEU 60 60 27428 1 . ARG 61 61 27428 1 . LEU 62 62 27428 1 . ILE 63 63 27428 1 . SER 64 64 27428 1 . LYS 65 65 27428 1 . PHE 66 66 27428 1 . ASP 67 67 27428 1 . THR 68 68 27428 1 . VAL 69 69 27428 1 . GLU 70 70 27428 1 . ASP 71 71 27428 1 . PHE 72 72 27428 1 . TRP 73 73 27428 1 . ALA 74 74 27428 1 . LEU 75 75 27428 1 . TYR 76 76 27428 1 . ASN 77 77 27428 1 . HIS 78 78 27428 1 . ILE 79 79 27428 1 . GLN 80 80 27428 1 . LEU 81 81 27428 1 . SER 82 82 27428 1 . SER 83 83 27428 1 . ASN 84 84 27428 1 . LEU 85 85 27428 1 . MET 86 86 27428 1 . PRO 87 87 27428 1 . GLY 88 88 27428 1 . CYS 89 89 27428 1 . ASP 90 90 27428 1 . TYR 91 91 27428 1 . SER 92 92 27428 1 . LEU 93 93 27428 1 . PHE 94 94 27428 1 . LYS 95 95 27428 1 . ASP 96 96 27428 1 . GLY 97 97 27428 1 . ILE 98 98 27428 1 . GLU 99 99 27428 1 . PRO 100 100 27428 1 . MET 101 101 27428 1 . TRP 102 102 27428 1 . GLU 103 103 27428 1 . ASP 104 104 27428 1 . GLU 105 105 27428 1 . LYS 106 106 27428 1 . ASN 107 107 27428 1 . LYS 108 108 27428 1 . ARG 109 109 27428 1 . GLY 110 110 27428 1 . GLY 111 111 27428 1 . ARG 112 112 27428 1 . TRP 113 113 27428 1 . LEU 114 114 27428 1 . ILE 115 115 27428 1 . THR 116 116 27428 1 . LEU 117 117 27428 1 . ASN 118 118 27428 1 . LYS 119 119 27428 1 . GLN 120 120 27428 1 . GLN 121 121 27428 1 . ARG 122 122 27428 1 . ARG 123 123 27428 1 . SER 124 124 27428 1 . ASP 125 125 27428 1 . LEU 126 126 27428 1 . ASP 127 127 27428 1 . ARG 128 128 27428 1 . PHE 129 129 27428 1 . TRP 130 130 27428 1 . LEU 131 131 27428 1 . GLU 132 132 27428 1 . THR 133 133 27428 1 . LEU 134 134 27428 1 . LEU 135 135 27428 1 . CYS 136 136 27428 1 . LEU 137 137 27428 1 . ILE 138 138 27428 1 . GLY 139 139 27428 1 . GLU 140 140 27428 1 . SER 141 141 27428 1 . PHE 142 142 27428 1 . ASP 143 143 27428 1 . ASP 144 144 27428 1 . TYR 145 145 27428 1 . SER 146 146 27428 1 . ASP 147 147 27428 1 . ASP 148 148 27428 1 . VAL 149 149 27428 1 . CYS 150 150 27428 1 . GLY 151 151 27428 1 . ALA 152 152 27428 1 . VAL 153 153 27428 1 . VAL 154 154 27428 1 . ASN 155 155 27428 1 . VAL 156 156 27428 1 . ARG 157 157 27428 1 . ALA 158 158 27428 1 . LYS 159 159 27428 1 . GLY 160 160 27428 1 . ASP 161 161 27428 1 . LYS 162 162 27428 1 . ILE 163 163 27428 1 . ALA 164 164 27428 1 . ILE 165 165 27428 1 . TRP 166 166 27428 1 . THR 167 167 27428 1 . THR 168 168 27428 1 . GLU 169 169 27428 1 . CYS 170 170 27428 1 . GLU 171 171 27428 1 . ASN 172 172 27428 1 . ARG 173 173 27428 1 . GLU 174 174 27428 1 . ALA 175 175 27428 1 . VAL 176 176 27428 1 . THR 177 177 27428 1 . HIS 178 178 27428 1 . ILE 179 179 27428 1 . GLY 180 180 27428 1 . ARG 181 181 27428 1 . VAL 182 182 27428 1 . TYR 183 183 27428 1 . LYS 184 184 27428 1 . GLU 185 185 27428 1 . ARG 186 186 27428 1 . LEU 187 187 27428 1 . GLY 188 188 27428 1 . LEU 189 189 27428 1 . PRO 190 190 27428 1 . PRO 191 191 27428 1 . LYS 192 192 27428 1 . ILE 193 193 27428 1 . VAL 194 194 27428 1 . ILE 195 195 27428 1 . GLY 196 196 27428 1 . TYR 197 197 27428 1 . GLN 198 198 27428 1 . SER 199 199 27428 1 . HIS 200 200 27428 1 . ALA 201 201 27428 1 . ASP 202 202 27428 1 . THR 203 203 27428 1 . ALA 204 204 27428 1 . THR 205 205 27428 1 . LYS 206 206 27428 1 . SER 207 207 27428 1 . GLY 208 208 27428 1 . SER 209 209 27428 1 . THR 210 210 27428 1 . THR 211 211 27428 1 . LYS 212 212 27428 1 . ASN 213 213 27428 1 . ARG 214 214 27428 1 . PHE 215 215 27428 1 . VAL 216 216 27428 1 . VAL 217 217 27428 1 stop_ save_ save_entity_M7G _Entity.Sf_category entity _Entity.Sf_framecode entity_M7G _Entity.Entry_ID 27428 _Entity.ID 2 _Entity.BMRB_code M7G _Entity.Name entity_M7G _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID M7G _Entity.Nonpolymer_comp_label $chem_comp_M7G _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 459.243 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE BMRB 27428 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE BMRB 27428 2 M7G 'Three letter code' 27428 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 M7G $chem_comp_M7G 27428 2 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 27428 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $eIF4E . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27428 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 27428 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $eIF4E . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28a . . . 27428 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_M7G _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_M7G _Chem_comp.Entry_ID 27428 _Chem_comp.ID M7G _Chem_comp.Provenance PDB _Chem_comp.Name 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code M7G _Chem_comp.PDB_code M7G _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MDG _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code M7G _Chem_comp.Number_atoms_all 48 _Chem_comp.Number_atoms_nh 29 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C11 H19 N5 O11 P2' _Chem_comp.Formula_weight 459.243 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EJ1 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 27428 M7G CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27428 M7G CN1CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N SMILES_CANONICAL CACTVS 3.341 27428 M7G CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N SMILES CACTVS 3.341 27428 M7G ; InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 27428 M7G O=P(O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O SMILES ACDLabs 10.04 27428 M7G QQODJOAVWUWVHJ-KQYNXXCUSA-N InChIKey InChI 1.03 27428 M7G stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID "7-methylguanosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 27428 M7G '[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27428 M7G stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PA PA PA PA . P . . S 0 . . . 1 no no . . . . 4.418 . 11.773 . 14.326 . -0.169 -0.023 -3.365 1 . 27428 M7G O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 4.950 . 11.847 . 12.934 . 0.825 0.994 -2.959 2 . 27428 M7G O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 4.818 . 10.458 . 14.881 . -1.316 0.671 -4.255 3 . 27428 M7G O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 5.080 . 12.946 . 15.243 . 0.559 -1.171 -4.228 4 . 27428 M7G O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 2.779 . 11.869 . 14.344 . -0.831 -0.679 -2.052 5 . 27428 M7G PB PB PB PB . P . . N 0 . . . 1 no no . . . . 4.651 . 14.509 . 15.233 . 1.195 -0.449 -5.518 6 . 27428 M7G O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 4.732 . 15.083 . 13.864 . 2.169 0.575 -5.080 7 . 27428 M7G O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 5.611 . 15.230 . 16.108 . 1.944 -1.544 -6.431 8 . 27428 M7G O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 3.265 . 14.672 . 15.747 . 0.025 0.253 -6.373 9 . 27428 M7G C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 2.039 . 12.541 . 13.352 . -1.459 0.383 -1.331 10 . 27428 M7G C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 0.814 . 11.828 . 12.892 . -2.112 -0.174 -0.065 11 . 27428 M7G O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 1.216 . 10.800 . 11.925 . -1.114 -0.764 0.796 12 . 27428 M7G C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 0.143 . 10.948 . 13.900 . -2.730 0.967 0.771 13 . 27428 M7G O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . -0.626 . 11.721 . 14.854 . -4.134 1.066 0.522 14 . 27428 M7G C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . -0.812 . 10.162 . 12.968 . -2.466 0.546 2.236 15 . 27428 M7G O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . -1.840 . 11.016 . 12.387 . -3.700 0.374 2.937 16 . 27428 M7G C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 0.231 . 9.736 . 11.939 . -1.717 -0.798 2.108 17 . 27428 M7G N9 N9 N9 N9 . N . . N 0 . . . 1 no no . . . . 1.103 . 8.581 . 12.346 . -0.684 -0.906 3.141 18 . 27428 M7G C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 2.255 . 8.468 . 13.018 . -0.584 -1.961 4.157 19 . 27428 M7G N7 N7 N7 N7 . N . . N 0 . . . 1 no no . . . . 2.546 . 7.200 . 13.107 . 0.607 -1.633 4.951 20 . 27428 M7G CM7 CM7 CM7 CM7 . C . . N 0 . . . 1 no no . . . . 3.715 . 6.625 . 13.762 . 1.133 -2.387 6.091 21 . 27428 M7G C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 1.539 . 6.346 . 12.451 . 1.143 -0.446 4.407 22 . 27428 M7G C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 1.359 . 5.107 . 12.262 . 2.268 0.310 4.766 23 . 27428 M7G O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 2.153 . 4.183 . 12.691 . 2.970 -0.028 5.707 24 . 27428 M7G N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 0.186 . 4.886 . 11.550 . 2.562 1.418 4.055 25 . 27428 M7G C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -0.681 . 5.853 . 11.090 . 1.772 1.784 3.008 26 . 27428 M7G N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . -1.753 . 5.491 . 10.421 . 2.086 2.913 2.295 27 . 27428 M7G N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . -0.476 . 7.133 . 11.294 . 0.714 1.083 2.668 28 . 27428 M7G C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 0.663 . 7.369 . 12.000 . 0.372 -0.031 3.333 29 . 27428 M7G HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 4.479 . 10.410 . 15.767 . -1.942 -0.025 -4.498 30 . 27428 M7G HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 5.359 . 16.146 . 16.102 . 2.310 -1.071 -7.191 31 . 27428 M7G HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 no no . . . . 3.013 . 15.588 . 15.741 . -0.585 -0.447 -6.638 32 . 27428 M7G H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 1.780 . 13.570 . 13.694 . -2.220 0.848 -1.958 33 . 27428 M7G H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 2.692 . 12.784 . 12.482 . -0.710 1.127 -1.057 34 . 27428 M7G H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 0.149 . 12.659 . 12.560 . -2.873 -0.909 -0.324 35 . 27428 M7G H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 0.841 . 10.334 . 14.516 . -2.236 1.914 0.550 36 . 27428 M7G HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . -1.051 . 11.162 . 15.493 . -4.464 1.792 1.069 37 . 27428 M7G H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . -1.407 . 9.346 . 13.440 . -1.841 1.284 2.739 38 . 27428 M7G HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . -2.425 . 10.533 . 11.815 . -4.147 1.232 2.930 39 . 27428 M7G H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . -0.339 . 9.493 . 11.012 . -2.416 -1.631 2.183 40 . 27428 M7G H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . 3.078 . 9.069 . 12.566 . -0.462 -2.933 3.679 41 . 27428 M7G H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . 2.227 . 8.975 . 14.010 . -1.471 -1.960 4.790 42 . 27428 M7G HM71 HM71 HM71 1HM7 . H . . N 0 . . . 0 no no . . . . 3.963 . 5.540 . 13.838 . 2.027 -1.895 6.472 43 . 27428 M7G HM72 HM72 HM72 2HM7 . H . . N 0 . . . 0 no no . . . . 4.603 . 7.118 . 13.303 . 0.379 -2.429 6.878 44 . 27428 M7G HM73 HM73 HM73 3HM7 . H . . N 0 . . . 0 no no . . . . 3.714 . 7.019 . 14.805 . 1.383 -3.399 5.773 45 . 27428 M7G HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . -0.063 . 3.918 . 11.344 . 3.336 1.954 4.289 46 . 27428 M7G HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . -2.394 . 6.206 . 10.080 . 1.531 3.185 1.548 47 . 27428 M7G HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . -2.278 . 4.822 . 10.983 . 2.862 3.441 2.539 48 . 27428 M7G stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A no N 1 . 27428 M7G 2 . SING PA O2A no N 2 . 27428 M7G 3 . SING PA O3A no N 3 . 27428 M7G 4 . SING PA O5' no N 4 . 27428 M7G 5 . SING O2A HOA2 no N 5 . 27428 M7G 6 . SING O3A PB no N 6 . 27428 M7G 7 . SING O5' C5' no N 7 . 27428 M7G 8 . DOUB PB O1B no N 8 . 27428 M7G 9 . SING PB O2B no N 9 . 27428 M7G 10 . SING PB O3B no N 10 . 27428 M7G 11 . SING O2B HOB2 no N 11 . 27428 M7G 12 . SING O3B HOB3 no N 12 . 27428 M7G 13 . SING C5' C4' no N 13 . 27428 M7G 14 . SING C5' H5'1 no N 14 . 27428 M7G 15 . SING C5' H5'2 no N 15 . 27428 M7G 16 . SING C4' O4' no N 16 . 27428 M7G 17 . SING C4' C3' no N 17 . 27428 M7G 18 . SING C4' H4' no N 18 . 27428 M7G 19 . SING O4' C1' no N 19 . 27428 M7G 20 . SING C3' O3' no N 20 . 27428 M7G 21 . SING C3' C2' no N 21 . 27428 M7G 22 . SING C3' H3' no N 22 . 27428 M7G 23 . SING O3' HO3' no N 23 . 27428 M7G 24 . SING C2' O2' no N 24 . 27428 M7G 25 . SING C2' C1' no N 25 . 27428 M7G 26 . SING C2' H2' no N 26 . 27428 M7G 27 . SING O2' HO2' no N 27 . 27428 M7G 28 . SING C1' N9 no N 28 . 27428 M7G 29 . SING C1' H1' no N 29 . 27428 M7G 30 . SING N9 C8 no N 30 . 27428 M7G 31 . SING N9 C4 no N 31 . 27428 M7G 32 . SING C8 N7 no N 32 . 27428 M7G 33 . SING C8 H81 no N 33 . 27428 M7G 34 . SING C8 H82 no N 34 . 27428 M7G 35 . SING N7 CM7 no N 35 . 27428 M7G 36 . SING N7 C5 no N 36 . 27428 M7G 37 . SING CM7 HM71 no N 37 . 27428 M7G 38 . SING CM7 HM72 no N 38 . 27428 M7G 39 . SING CM7 HM73 no N 39 . 27428 M7G 40 . SING C5 C6 no N 40 . 27428 M7G 41 . DOUB C5 C4 no N 41 . 27428 M7G 42 . DOUB C6 O6 no N 42 . 27428 M7G 43 . SING C6 N1 no N 43 . 27428 M7G 44 . SING N1 C2 no N 44 . 27428 M7G 45 . SING N1 HN1 no N 45 . 27428 M7G 46 . SING C2 N2 no N 46 . 27428 M7G 47 . DOUB C2 N3 no N 47 . 27428 M7G 48 . SING N2 HN21 no N 48 . 27428 M7G 49 . SING N2 HN22 no N 49 . 27428 M7G 50 . SING N3 C4 no N 50 . 27428 M7G stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27428 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 eIF4E '[U-13C; U-15N; U-2H with 1H for Ile, Leu and Val Methyls]' . . 1 $eIF4E . . 220 . . uM . . . . 27428 1 2 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE 'natural abundance' . . 2 $entity_M7G . . 4.4 . . mM . . . . 27428 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27428 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27428 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27428 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27428 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27428 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 eIF4E '[U-13C; U-15N; U-2H with 1H for Ile, Leu and Val Methyls]' . . 1 $eIF4E . . 220 . . uM . . . . 27428 2 2 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE 'natural abundance' . . 2 $entity_M7G . . 4.4 . . mM . . . . 27428 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27428 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27428 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27428 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27428 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27428 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 27428 1 pressure 1 . atm 27428 1 temperature 273 . K 27428 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27428 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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 pD 6.8 . pD 27428 2 pressure 1 . atm 27428 2 temperature 273 . K 27428 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27428 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27428 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27428 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27428 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27428 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27428 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27428 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27428 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27428 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27428 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27428 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27428 4 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 27428 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27428 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . . . 27428 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 27428 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27428 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27428 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27428 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27428 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27428 1 6 (H)C-TOCSY-S-TOCSY-(C)H no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27428 1 7 '13C-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27428 1 stop_ save_ save_(H)C-TOCSY-S-TOCSY-(C)H _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (H)C-TOCSY-S-TOCSY-(C)H _NMR_spec_expt.Entry_ID 27428 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name (H)C-TOCSY-S-TOCSY-(C)H _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; Kerfah R, Hamelin O, Boisbouvier J, Marion D (2015) CH3-specific NMR assignment of alanine, isoleucine, leucine and valine methyl groups in high molecular weight proteins using a single sample J Biomol NMR 63:389-402 doi:10.1007/s10858-015-9998-4. ; save_ save_13C-13C_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-13C_NOESY _NMR_spec_expt.Entry_ID 27428 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-13C_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; Bermel W, Bertini I, Felli IC, Kummerle R, Pierattelli R (2003) 13C direct detection experiments on the paramagnetic oxidized monomeric copper, zinc superoxide dismutase J Am Chem Soc 125:16423-16429. ; 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 27428 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . 27428 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . 27428 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 27428 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 27428 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 3 '3D HNCA' . . . 27428 1 4 '3D HNCACB' . . . 27428 1 5 '3D CBCA(CO)NH' . . . 27428 1 6 (H)C-TOCSY-S-TOCSY-(C)H . . . 27428 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 27428 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET CA C 13 54.889 0.2 . 1 . . . . . 1 M CA . 27428 1 2 . 1 . 1 1 1 MET CB C 13 32.016 0.2 . 1 . . . . . 1 M CB . 27428 1 3 . 1 . 1 2 2 ALA H H 1 8.193 0.03 . 1 . . . . . 2 A HN . 27428 1 4 . 1 . 1 2 2 ALA CA C 13 51.991 0.2 . 1 . . . . . 2 A CA . 27428 1 5 . 1 . 1 2 2 ALA CB C 13 18.304 0.2 . 1 . . . . . 2 A CB . 27428 1 6 . 1 . 1 2 2 ALA N N 15 125.835 0.2 . 1 . . . . . 2 A N . 27428 1 7 . 1 . 1 3 3 THR H H 1 8.001 0.03 . 1 . . . . . 3 T HN . 27428 1 8 . 1 . 1 3 3 THR CA C 13 61.245 0.2 . 1 . . . . . 3 T CA . 27428 1 9 . 1 . 1 3 3 THR CB C 13 69.167 0.2 . 1 . . . . . 3 T CB . 27428 1 10 . 1 . 1 3 3 THR N N 15 115.004 0.2 . 1 . . . . . 3 T N . 27428 1 11 . 1 . 1 4 4 VAL H H 1 8.005 0.03 . 1 . . . . . 4 V HN . 27428 1 12 . 1 . 1 4 4 VAL HG11 H 1 0.676 0.03 . 2 . . . . . 4 V HG11 . 27428 1 13 . 1 . 1 4 4 VAL HG12 H 1 0.676 0.03 . 2 . . . . . 4 V HG11 . 27428 1 14 . 1 . 1 4 4 VAL HG13 H 1 0.676 0.03 . 2 . . . . . 4 V HG11 . 27428 1 15 . 1 . 1 4 4 VAL HG21 H 1 0.668 0.03 . 2 . . . . . 4 V HG21 . 27428 1 16 . 1 . 1 4 4 VAL HG22 H 1 0.668 0.03 . 2 . . . . . 4 V HG21 . 27428 1 17 . 1 . 1 4 4 VAL HG23 H 1 0.668 0.03 . 2 . . . . . 4 V HG21 . 27428 1 18 . 1 . 1 4 4 VAL CA C 13 61.336 0.2 . 1 . . . . . 4 V CA . 27428 1 19 . 1 . 1 4 4 VAL CB C 13 32.209 0.2 . 1 . . . . . 4 V CB . 27428 1 20 . 1 . 1 4 4 VAL CG1 C 13 20.078 0.2 . 2 . . . . . 4 V CG1 . 27428 1 21 . 1 . 1 4 4 VAL CG2 C 13 20.800 0.2 . 2 . . . . . 4 V CG2 . 27428 1 22 . 1 . 1 4 4 VAL N N 15 123.264 0.2 . 1 . . . . . 4 V N . 27428 1 23 . 1 . 1 5 5 GLU H H 1 8.336 0.03 . 1 . . . . . 5 E HN . 27428 1 24 . 1 . 1 5 5 GLU CA C 13 53.675 0.2 . 1 . . . . . 5 E CA . 27428 1 25 . 1 . 1 5 5 GLU CB C 13 28.640 0.2 . 1 . . . . . 5 E CB . 27428 1 26 . 1 . 1 5 5 GLU N N 15 126.993 0.2 . 1 . . . . . 5 E N . 27428 1 27 . 1 . 1 6 6 PRO CA C 13 62.537 0.2 . 1 . . . . . 6 P CA . 27428 1 28 . 1 . 1 6 6 PRO CB C 13 31.215 0.2 . 1 . . . . . 6 P CB . 27428 1 29 . 1 . 1 7 7 GLU H H 1 8.391 0.03 . 1 . . . . . 7 E HN . 27428 1 30 . 1 . 1 7 7 GLU CA C 13 56.108 0.2 . 1 . . . . . 7 E CA . 27428 1 31 . 1 . 1 7 7 GLU CB C 13 29.290 0.2 . 1 . . . . . 7 E CB . 27428 1 32 . 1 . 1 7 7 GLU N N 15 121.609 0.2 . 1 . . . . . 7 E N . 27428 1 33 . 1 . 1 8 8 THR H H 1 8.082 0.03 . 1 . . . . . 8 T HN . 27428 1 34 . 1 . 1 8 8 THR CA C 13 61.170 0.2 . 1 . . . . . 8 T CA . 27428 1 35 . 1 . 1 8 8 THR CB C 13 69.304 0.2 . 1 . . . . . 8 T CB . 27428 1 36 . 1 . 1 8 8 THR N N 15 116.192 0.2 . 1 . . . . . 8 T N . 27428 1 37 . 1 . 1 9 9 THR H H 1 8.118 0.03 . 1 . . . . . 9 T HN . 27428 1 38 . 1 . 1 9 9 THR CA C 13 59.391 0.2 . 1 . . . . . 9 T CA . 27428 1 39 . 1 . 1 9 9 THR CB C 13 69.152 0.2 . 1 . . . . . 9 T CB . 27428 1 40 . 1 . 1 9 9 THR N N 15 120.202 0.2 . 1 . . . . . 9 T N . 27428 1 41 . 1 . 1 10 10 PRO CA C 13 62.590 0.2 . 1 . . . . . 10 P CA . 27428 1 42 . 1 . 1 10 10 PRO CB C 13 31.191 0.2 . 1 . . . . . 10 P CB . 27428 1 43 . 1 . 1 11 11 THR H H 1 8.204 0.03 . 1 . . . . . 11 T HN . 27428 1 44 . 1 . 1 11 11 THR CA C 13 59.254 0.2 . 1 . . . . . 11 T CA . 27428 1 45 . 1 . 1 11 11 THR CB C 13 69.122 0.2 . 1 . . . . . 11 T CB . 27428 1 46 . 1 . 1 11 11 THR N N 15 118.391 0.2 . 1 . . . . . 11 T N . 27428 1 47 . 1 . 1 12 12 PRO CA C 13 62.870 0.2 . 1 . . . . . 12 P CA . 27428 1 48 . 1 . 1 12 12 PRO CB C 13 31.135 0.2 . 1 . . . . . 12 P CB . 27428 1 49 . 1 . 1 13 13 ASN H H 1 8.052 0.03 . 1 . . . . . 13 N HN . 27428 1 50 . 1 . 1 13 13 ASN CA C 13 49.914 0.2 . 1 . . . . . 13 N CA . 27428 1 51 . 1 . 1 13 13 ASN CB C 13 40.205 0.2 . 1 . . . . . 13 N CB . 27428 1 52 . 1 . 1 13 13 ASN N N 15 119.868 0.2 . 1 . . . . . 13 N N . 27428 1 53 . 1 . 1 15 15 PRO CA C 13 62.406 0.2 . 1 . . . . . 15 P CA . 27428 1 54 . 1 . 1 15 15 PRO CB C 13 31.179 0.2 . 1 . . . . . 15 P CB . 27428 1 55 . 1 . 1 16 16 THR H H 1 8.158 0.03 . 1 . . . . . 16 T HN . 27428 1 56 . 1 . 1 16 16 THR CA C 13 61.210 0.2 . 1 . . . . . 16 T CA . 27428 1 57 . 1 . 1 16 16 THR CB C 13 69.342 0.2 . 1 . . . . . 16 T CB . 27428 1 58 . 1 . 1 16 16 THR N N 15 115.090 0.2 . 1 . . . . . 16 T N . 27428 1 59 . 1 . 1 17 17 THR H H 1 8.050 0.03 . 1 . . . . . 17 T HN . 27428 1 60 . 1 . 1 17 17 THR CA C 13 61.227 0.2 . 1 . . . . . 17 T CA . 27428 1 61 . 1 . 1 17 17 THR CB C 13 69.355 0.2 . 1 . . . . . 17 T CB . 27428 1 62 . 1 . 1 17 17 THR N N 15 116.538 0.2 . 1 . . . . . 17 T N . 27428 1 63 . 1 . 1 18 18 GLU H H 1 8.329 0.03 . 1 . . . . . 18 E HN . 27428 1 64 . 1 . 1 18 18 GLU CA C 13 56.029 0.2 . 1 . . . . . 18 E CA . 27428 1 65 . 1 . 1 18 18 GLU CB C 13 29.367 0.2 . 1 . . . . . 18 E CB . 27428 1 66 . 1 . 1 18 18 GLU N N 15 123.741 0.2 . 1 . . . . . 18 E N . 27428 1 67 . 1 . 1 19 19 GLU CA C 13 56.182 0.2 . 1 . . . . . 19 E CA . 27428 1 68 . 1 . 1 19 19 GLU CB C 13 29.325 0.2 . 1 . . . . . 19 E CB . 27428 1 69 . 1 . 1 20 20 GLU H H 1 8.265 0.03 . 1 . . . . . 20 E HN . 27428 1 70 . 1 . 1 20 20 GLU CA C 13 56.180 0.2 . 1 . . . . . 20 E CA . 27428 1 71 . 1 . 1 20 20 GLU CB C 13 29.376 0.2 . 1 . . . . . 20 E CB . 27428 1 72 . 1 . 1 20 20 GLU N N 15 122.414 0.2 . 1 . . . . . 20 E N . 27428 1 73 . 1 . 1 21 21 LYS H H 1 8.219 0.03 . 1 . . . . . 21 K HN . 27428 1 74 . 1 . 1 21 21 LYS CA C 13 55.695 0.2 . 1 . . . . . 21 K CA . 27428 1 75 . 1 . 1 21 21 LYS CB C 13 31.978 0.2 . 1 . . . . . 21 K CB . 27428 1 76 . 1 . 1 21 21 LYS N N 15 123.612 0.2 . 1 . . . . . 21 K N . 27428 1 77 . 1 . 1 22 22 THR H H 1 8.097 0.03 . 1 . . . . . 22 T HN . 27428 1 78 . 1 . 1 22 22 THR CA C 13 61.361 0.2 . 1 . . . . . 22 T CA . 27428 1 79 . 1 . 1 22 22 THR CB C 13 69.339 0.2 . 1 . . . . . 22 T CB . 27428 1 80 . 1 . 1 22 22 THR N N 15 116.606 0.2 . 1 . . . . . 22 T N . 27428 1 81 . 1 . 1 23 23 GLU H H 1 8.315 0.03 . 1 . . . . . 23 E HN . 27428 1 82 . 1 . 1 23 23 GLU CA C 13 56.143 0.2 . 1 . . . . . 23 E CA . 27428 1 83 . 1 . 1 23 23 GLU CB C 13 29.301 0.2 . 1 . . . . . 23 E CB . 27428 1 84 . 1 . 1 23 23 GLU N N 15 123.471 0.2 . 1 . . . . . 23 E N . 27428 1 85 . 1 . 1 24 24 SER H H 1 8.230 0.03 . 1 . . . . . 24 S HN . 27428 1 86 . 1 . 1 24 24 SER CA C 13 57.866 0.2 . 1 . . . . . 24 S CA . 27428 1 87 . 1 . 1 24 24 SER CB C 13 63.138 0.2 . 1 . . . . . 24 S CB . 27428 1 88 . 1 . 1 24 24 SER N N 15 117.344 0.2 . 1 . . . . . 24 S N . 27428 1 89 . 1 . 1 25 25 ASN H H 1 8.328 0.03 . 1 . . . . . 25 N HN . 27428 1 90 . 1 . 1 25 25 ASN CA C 13 52.897 0.2 . 1 . . . . . 25 N CA . 27428 1 91 . 1 . 1 25 25 ASN CB C 13 38.055 0.2 . 1 . . . . . 25 N CB . 27428 1 92 . 1 . 1 25 25 ASN N N 15 121.328 0.2 . 1 . . . . . 25 N N . 27428 1 93 . 1 . 1 26 26 GLN H H 1 8.179 0.03 . 1 . . . . . 26 Q HN . 27428 1 94 . 1 . 1 26 26 GLN CA C 13 55.363 0.2 . 1 . . . . . 26 Q CA . 27428 1 95 . 1 . 1 26 26 GLN CB C 13 28.528 0.2 . 1 . . . . . 26 Q CB . 27428 1 96 . 1 . 1 26 26 GLN N N 15 121.000 0.2 . 1 . . . . . 26 Q N . 27428 1 97 . 1 . 1 27 27 GLU H H 1 8.247 0.03 . 1 . . . . . 27 E HN . 27428 1 98 . 1 . 1 27 27 GLU CA C 13 56.072 0.2 . 1 . . . . . 27 E CA . 27428 1 99 . 1 . 1 27 27 GLU CB C 13 29.251 0.2 . 1 . . . . . 27 E CB . 27428 1 100 . 1 . 1 27 27 GLU N N 15 122.783 0.2 . 1 . . . . . 27 E N . 27428 1 101 . 1 . 1 28 28 VAL H H 1 7.974 0.03 . 1 . . . . . 28 V HN . 27428 1 102 . 1 . 1 28 28 VAL HG11 H 1 0.681 0.03 . 2 . . . . . 28 V HG11 . 27428 1 103 . 1 . 1 28 28 VAL HG12 H 1 0.681 0.03 . 2 . . . . . 28 V HG11 . 27428 1 104 . 1 . 1 28 28 VAL HG13 H 1 0.681 0.03 . 2 . . . . . 28 V HG11 . 27428 1 105 . 1 . 1 28 28 VAL HG21 H 1 0.670 0.03 . 2 . . . . . 28 V HG21 . 27428 1 106 . 1 . 1 28 28 VAL HG22 H 1 0.670 0.03 . 2 . . . . . 28 V HG21 . 27428 1 107 . 1 . 1 28 28 VAL HG23 H 1 0.670 0.03 . 2 . . . . . 28 V HG21 . 27428 1 108 . 1 . 1 28 28 VAL CA C 13 61.495 0.2 . 1 . . . . . 28 V CA . 27428 1 109 . 1 . 1 28 28 VAL CB C 13 32.072 0.2 . 1 . . . . . 28 V CB . 27428 1 110 . 1 . 1 28 28 VAL CG1 C 13 20.079 0.2 . 2 . . . . . 28 V CG1 . 27428 1 111 . 1 . 1 28 28 VAL CG2 C 13 20.860 0.2 . 2 . . . . . 28 V CG2 . 27428 1 112 . 1 . 1 28 28 VAL N N 15 121.850 0.2 . 1 . . . . . 28 V N . 27428 1 113 . 1 . 1 29 29 ALA H H 1 8.194 0.03 . 1 . . . . . 29 A HN . 27428 1 114 . 1 . 1 29 29 ALA CA C 13 51.844 0.2 . 1 . . . . . 29 A CA . 27428 1 115 . 1 . 1 29 29 ALA CB C 13 18.287 0.2 . 1 . . . . . 29 A CB . 27428 1 116 . 1 . 1 29 29 ALA N N 15 128.099 0.2 . 1 . . . . . 29 A N . 27428 1 117 . 1 . 1 30 30 ASN H H 1 8.245 0.03 . 1 . . . . . 30 N HN . 27428 1 118 . 1 . 1 30 30 ASN CA C 13 50.687 0.2 . 1 . . . . . 30 N CA . 27428 1 119 . 1 . 1 30 30 ASN CB C 13 38.067 0.2 . 1 . . . . . 30 N CB . 27428 1 120 . 1 . 1 30 30 ASN N N 15 119.499 0.2 . 1 . . . . . 30 N N . 27428 1 121 . 1 . 1 31 31 PRO CA C 13 63.125 0.2 . 1 . . . . . 31 P CA . 27428 1 122 . 1 . 1 31 31 PRO CB C 13 31.135 0.2 . 1 . . . . . 31 P CB . 27428 1 123 . 1 . 1 32 32 GLU H H 1 8.250 0.03 . 1 . . . . . 32 E HN . 27428 1 124 . 1 . 1 32 32 GLU CA C 13 56.414 0.2 . 1 . . . . . 32 E CA . 27428 1 125 . 1 . 1 32 32 GLU CB C 13 28.798 0.2 . 1 . . . . . 32 E CB . 27428 1 126 . 1 . 1 32 32 GLU N N 15 119.867 0.2 . 1 . . . . . 32 E N . 27428 1 127 . 1 . 1 33 33 HIS H H 1 7.879 0.03 . 1 . . . . . 33 H HN . 27428 1 128 . 1 . 1 33 33 HIS CA C 13 55.393 0.2 . 1 . . . . . 33 H CA . 27428 1 129 . 1 . 1 33 33 HIS CB C 13 29.981 0.2 . 1 . . . . . 33 H CB . 27428 1 130 . 1 . 1 33 33 HIS N N 15 119.612 0.2 . 1 . . . . . 33 H N . 27428 1 131 . 1 . 1 34 34 TYR H H 1 7.757 0.03 . 1 . . . . . 34 Y HN . 27428 1 132 . 1 . 1 34 34 TYR CA C 13 57.198 0.2 . 1 . . . . . 34 Y CA . 27428 1 133 . 1 . 1 34 34 TYR CB C 13 37.926 0.2 . 1 . . . . . 34 Y CB . 27428 1 134 . 1 . 1 34 34 TYR N N 15 121.707 0.2 . 1 . . . . . 34 Y N . 27428 1 135 . 1 . 1 35 35 ILE H H 1 7.705 0.03 . 1 . . . . . 35 I HN . 27428 1 136 . 1 . 1 35 35 ILE HD11 H 1 0.560 0.03 . 2 . . . . . 35 I HD11 . 27428 1 137 . 1 . 1 35 35 ILE HD12 H 1 0.560 0.03 . 2 . . . . . 35 I HD11 . 27428 1 138 . 1 . 1 35 35 ILE HD13 H 1 0.560 0.03 . 2 . . . . . 35 I HD11 . 27428 1 139 . 1 . 1 35 35 ILE CA C 13 60.212 0.2 . 1 . . . . . 35 I CA . 27428 1 140 . 1 . 1 35 35 ILE CB C 13 37.564 0.2 . 1 . . . . . 35 I CB . 27428 1 141 . 1 . 1 35 35 ILE CD1 C 13 12.329 0.2 . 1 . . . . . 35 I CD1 . 27428 1 142 . 1 . 1 35 35 ILE N N 15 124.236 0.2 . 1 . . . . . 35 I N . 27428 1 143 . 1 . 1 36 36 LYS H H 1 7.857 0.03 . 1 . . . . . 36 K HN . 27428 1 144 . 1 . 1 36 36 LYS CA C 13 55.218 0.2 . 1 . . . . . 36 K CA . 27428 1 145 . 1 . 1 36 36 LYS CB C 13 33.577 0.2 . 1 . . . . . 36 K CB . 27428 1 146 . 1 . 1 36 36 LYS N N 15 124.411 0.2 . 1 . . . . . 36 K N . 27428 1 147 . 1 . 1 37 37 HIS H H 1 10.687 0.03 . 1 . . . . . 37 H HN . 27428 1 148 . 1 . 1 37 37 HIS CA C 13 54.161 0.2 . 1 . . . . . 37 H CA . 27428 1 149 . 1 . 1 37 37 HIS CB C 13 27.900 0.2 . 1 . . . . . 37 H CB . 27428 1 150 . 1 . 1 37 37 HIS N N 15 123.273 0.2 . 1 . . . . . 37 H N . 27428 1 151 . 1 . 1 38 38 PRO CA C 13 62.793 0.2 . 1 . . . . . 38 P CA . 27428 1 152 . 1 . 1 38 38 PRO CB C 13 32.298 0.2 . 1 . . . . . 38 P CB . 27428 1 153 . 1 . 1 39 39 LEU H H 1 8.024 0.03 . 1 . . . . . 39 L HN . 27428 1 154 . 1 . 1 39 39 LEU HD11 H 1 0.930 0.03 . 2 . . . . . 39 L HD11 . 27428 1 155 . 1 . 1 39 39 LEU HD12 H 1 0.930 0.03 . 2 . . . . . 39 L HD11 . 27428 1 156 . 1 . 1 39 39 LEU HD13 H 1 0.930 0.03 . 2 . . . . . 39 L HD11 . 27428 1 157 . 1 . 1 39 39 LEU HD21 H 1 0.663 0.03 . 2 . . . . . 39 L HD21 . 27428 1 158 . 1 . 1 39 39 LEU HD22 H 1 0.663 0.03 . 2 . . . . . 39 L HD21 . 27428 1 159 . 1 . 1 39 39 LEU HD23 H 1 0.663 0.03 . 2 . . . . . 39 L HD21 . 27428 1 160 . 1 . 1 39 39 LEU CA C 13 52.506 0.2 . 1 . . . . . 39 L CA . 27428 1 161 . 1 . 1 39 39 LEU CB C 13 42.071 0.2 . 1 . . . . . 39 L CB . 27428 1 162 . 1 . 1 39 39 LEU CD1 C 13 27.939 0.2 . 2 . . . . . 39 L CD1 . 27428 1 163 . 1 . 1 39 39 LEU CD2 C 13 22.944 0.2 . 2 . . . . . 39 L CD2 . 27428 1 164 . 1 . 1 39 39 LEU N N 15 122.347 0.2 . 1 . . . . . 39 L N . 27428 1 165 . 1 . 1 40 40 GLN H H 1 8.734 0.03 . 1 . . . . . 40 Q HN . 27428 1 166 . 1 . 1 40 40 GLN CA C 13 57.861 0.2 . 1 . . . . . 40 Q CA . 27428 1 167 . 1 . 1 40 40 GLN CB C 13 28.440 0.2 . 1 . . . . . 40 Q CB . 27428 1 168 . 1 . 1 40 40 GLN N N 15 121.539 0.2 . 1 . . . . . 40 Q N . 27428 1 169 . 1 . 1 41 41 ASN H H 1 7.906 0.03 . 1 . . . . . 41 N HN . 27428 1 170 . 1 . 1 41 41 ASN CA C 13 51.478 0.2 . 1 . . . . . 41 N CA . 27428 1 171 . 1 . 1 41 41 ASN CB C 13 41.990 0.2 . 1 . . . . . 41 N CB . 27428 1 172 . 1 . 1 41 41 ASN N N 15 115.361 0.2 . 1 . . . . . 41 N N . 27428 1 173 . 1 . 1 42 42 ARG H H 1 7.845 0.03 . 1 . . . . . 42 R HN . 27428 1 174 . 1 . 1 42 42 ARG CA C 13 53.904 0.2 . 1 . . . . . 42 R CA . 27428 1 175 . 1 . 1 42 42 ARG CB C 13 30.222 0.2 . 1 . . . . . 42 R CB . 27428 1 176 . 1 . 1 42 42 ARG N N 15 116.894 0.2 . 1 . . . . . 42 R N . 27428 1 177 . 1 . 1 45 45 LEU HD11 H 1 0.965 0.03 . 2 . . . . . 45 L HD11 . 27428 1 178 . 1 . 1 45 45 LEU HD12 H 1 0.965 0.03 . 2 . . . . . 45 L HD11 . 27428 1 179 . 1 . 1 45 45 LEU HD13 H 1 0.965 0.03 . 2 . . . . . 45 L HD11 . 27428 1 180 . 1 . 1 45 45 LEU HD21 H 1 0.668 0.03 . 2 . . . . . 45 L HD21 . 27428 1 181 . 1 . 1 45 45 LEU HD22 H 1 0.668 0.03 . 2 . . . . . 45 L HD21 . 27428 1 182 . 1 . 1 45 45 LEU HD23 H 1 0.668 0.03 . 2 . . . . . 45 L HD21 . 27428 1 183 . 1 . 1 45 45 LEU CD1 C 13 23.137 0.2 . 2 . . . . . 45 L CD1 . 27428 1 184 . 1 . 1 45 45 LEU CD2 C 13 27.216 0.2 . 2 . . . . . 45 L CD2 . 27428 1 185 . 1 . 1 46 46 TRP CA C 13 55.407 0.2 . 1 . . . . . 46 W CA . 27428 1 186 . 1 . 1 46 46 TRP CB C 13 31.033 0.2 . 1 . . . . . 46 W CB . 27428 1 187 . 1 . 1 47 47 PHE H H 1 9.719 0.03 . 1 . . . . . 47 F HN . 27428 1 188 . 1 . 1 47 47 PHE CA C 13 54.992 0.2 . 1 . . . . . 47 F CA . 27428 1 189 . 1 . 1 47 47 PHE CB C 13 43.764 0.2 . 1 . . . . . 47 F CB . 27428 1 190 . 1 . 1 47 47 PHE N N 15 122.295 0.2 . 1 . . . . . 47 F N . 27428 1 191 . 1 . 1 48 48 PHE H H 1 7.812 0.03 . 1 . . . . . 48 F HN . 27428 1 192 . 1 . 1 48 48 PHE CA C 13 56.200 0.2 . 1 . . . . . 48 F CA . 27428 1 193 . 1 . 1 48 48 PHE CB C 13 42.918 0.2 . 1 . . . . . 48 F CB . 27428 1 194 . 1 . 1 48 48 PHE N N 15 129.340 0.2 . 1 . . . . . 48 F N . 27428 1 195 . 1 . 1 49 49 LYS H H 1 6.247 0.03 . 1 . . . . . 49 K HN . 27428 1 196 . 1 . 1 49 49 LYS CA C 13 54.361 0.2 . 1 . . . . . 49 K CA . 27428 1 197 . 1 . 1 49 49 LYS CB C 13 33.532 0.2 . 1 . . . . . 49 K CB . 27428 1 198 . 1 . 1 49 49 LYS N N 15 124.649 0.2 . 1 . . . . . 49 K N . 27428 1 199 . 1 . 1 50 50 ASN H H 1 7.146 0.03 . 1 . . . . . 50 N HN . 27428 1 200 . 1 . 1 50 50 ASN CA C 13 53.469 0.2 . 1 . . . . . 50 N CA . 27428 1 201 . 1 . 1 50 50 ASN CB C 13 37.047 0.2 . 1 . . . . . 50 N CB . 27428 1 202 . 1 . 1 50 50 ASN N N 15 120.879 0.2 . 1 . . . . . 50 N N . 27428 1 203 . 1 . 1 51 51 ASP H H 1 7.329 0.03 . 1 . . . . . 51 D HN . 27428 1 204 . 1 . 1 51 51 ASP CA C 13 53.121 0.2 . 1 . . . . . 51 D CA . 27428 1 205 . 1 . 1 51 51 ASP CB C 13 39.983 0.2 . 1 . . . . . 51 D CB . 27428 1 206 . 1 . 1 51 51 ASP N N 15 122.915 0.2 . 1 . . . . . 51 D N . 27428 1 207 . 1 . 1 52 52 LYS H H 1 8.545 0.03 . 1 . . . . . 52 K HN . 27428 1 208 . 1 . 1 52 52 LYS CA C 13 57.209 0.2 . 1 . . . . . 52 K CA . 27428 1 209 . 1 . 1 52 52 LYS CB C 13 30.805 0.2 . 1 . . . . . 52 K CB . 27428 1 210 . 1 . 1 52 52 LYS N N 15 125.222 0.2 . 1 . . . . . 52 K N . 27428 1 211 . 1 . 1 53 53 SER H H 1 8.483 0.03 . 1 . . . . . 53 S HN . 27428 1 212 . 1 . 1 53 53 SER CA C 13 58.834 0.2 . 1 . . . . . 53 S CA . 27428 1 213 . 1 . 1 53 53 SER CB C 13 63.276 0.2 . 1 . . . . . 53 S CB . 27428 1 214 . 1 . 1 53 53 SER N N 15 115.874 0.2 . 1 . . . . . 53 S N . 27428 1 215 . 1 . 1 54 54 LYS H H 1 7.565 0.03 . 1 . . . . . 54 K HN . 27428 1 216 . 1 . 1 54 54 LYS CA C 13 54.223 0.2 . 1 . . . . . 54 K CA . 27428 1 217 . 1 . 1 54 54 LYS CB C 13 34.397 0.2 . 1 . . . . . 54 K CB . 27428 1 218 . 1 . 1 54 54 LYS N N 15 123.041 0.2 . 1 . . . . . 54 K N . 27428 1 219 . 1 . 1 55 55 THR H H 1 7.804 0.03 . 1 . . . . . 55 T HN . 27428 1 220 . 1 . 1 55 55 THR CA C 13 60.973 0.2 . 1 . . . . . 55 T CA . 27428 1 221 . 1 . 1 55 55 THR CB C 13 69.702 0.2 . 1 . . . . . 55 T CB . 27428 1 222 . 1 . 1 55 55 THR N N 15 112.781 0.2 . 1 . . . . . 55 T N . 27428 1 223 . 1 . 1 56 56 TRP H H 1 8.436 0.03 . 1 . . . . . 56 W HN . 27428 1 224 . 1 . 1 56 56 TRP CA C 13 63.662 0.2 . 1 . . . . . 56 W CA . 27428 1 225 . 1 . 1 56 56 TRP CB C 13 28.405 0.2 . 1 . . . . . 56 W CB . 27428 1 226 . 1 . 1 56 56 TRP N N 15 123.244 0.2 . 1 . . . . . 56 W N . 27428 1 227 . 1 . 1 57 57 GLN H H 1 8.777 0.03 . 1 . . . . . 57 Q HN . 27428 1 228 . 1 . 1 57 57 GLN CA C 13 58.880 0.2 . 1 . . . . . 57 Q CA . 27428 1 229 . 1 . 1 57 57 GLN CB C 13 26.847 0.2 . 1 . . . . . 57 Q CB . 27428 1 230 . 1 . 1 57 57 GLN N N 15 113.573 0.2 . 1 . . . . . 57 Q N . 27428 1 231 . 1 . 1 58 58 ALA H H 1 7.294 0.03 . 1 . . . . . 58 A HN . 27428 1 232 . 1 . 1 58 58 ALA CA C 13 52.781 0.2 . 1 . . . . . 58 A CA . 27428 1 233 . 1 . 1 58 58 ALA CB C 13 17.818 0.2 . 1 . . . . . 58 A CB . 27428 1 234 . 1 . 1 58 58 ALA N N 15 120.331 0.2 . 1 . . . . . 58 A N . 27428 1 235 . 1 . 1 59 59 ASN H H 1 7.176 0.03 . 1 . . . . . 59 N HN . 27428 1 236 . 1 . 1 59 59 ASN CA C 13 52.806 0.2 . 1 . . . . . 59 N CA . 27428 1 237 . 1 . 1 59 59 ASN CB C 13 39.709 0.2 . 1 . . . . . 59 N CB . 27428 1 238 . 1 . 1 59 59 ASN N N 15 117.064 0.2 . 1 . . . . . 59 N N . 27428 1 239 . 1 . 1 60 60 LEU H H 1 6.629 0.03 . 1 . . . . . 60 L HN . 27428 1 240 . 1 . 1 60 60 LEU HD11 H 1 0.197 0.03 . 2 . . . . . 60 L HD11 . 27428 1 241 . 1 . 1 60 60 LEU HD12 H 1 0.197 0.03 . 2 . . . . . 60 L HD11 . 27428 1 242 . 1 . 1 60 60 LEU HD13 H 1 0.197 0.03 . 2 . . . . . 60 L HD11 . 27428 1 243 . 1 . 1 60 60 LEU HD21 H 1 0.153 0.03 . 2 . . . . . 60 L HD21 . 27428 1 244 . 1 . 1 60 60 LEU HD22 H 1 0.153 0.03 . 2 . . . . . 60 L HD21 . 27428 1 245 . 1 . 1 60 60 LEU HD23 H 1 0.153 0.03 . 2 . . . . . 60 L HD21 . 27428 1 246 . 1 . 1 60 60 LEU CA C 13 54.425 0.2 . 1 . . . . . 60 L CA . 27428 1 247 . 1 . 1 60 60 LEU CB C 13 42.981 0.2 . 1 . . . . . 60 L CB . 27428 1 248 . 1 . 1 60 60 LEU CD1 C 13 23.742 0.2 . 1 . . . . . 60 L CD1 . 27428 1 249 . 1 . 1 60 60 LEU CD2 C 13 24.797 0.2 . 1 . . . . . 60 L CD2 . 27428 1 250 . 1 . 1 60 60 LEU N N 15 121.759 0.2 . 1 . . . . . 60 L N . 27428 1 251 . 1 . 1 61 61 ARG H H 1 9.238 0.03 . 1 . . . . . 61 R HN . 27428 1 252 . 1 . 1 61 61 ARG CA C 13 54.189 0.2 . 1 . . . . . 61 R CA . 27428 1 253 . 1 . 1 61 61 ARG CB C 13 32.807 0.2 . 1 . . . . . 61 R CB . 27428 1 254 . 1 . 1 61 61 ARG N N 15 123.121 0.2 . 1 . . . . . 61 R N . 27428 1 255 . 1 . 1 62 62 LEU H H 1 8.540 0.03 . 1 . . . . . 62 L HN . 27428 1 256 . 1 . 1 62 62 LEU HD11 H 1 0.215 0.03 . 2 . . . . . 62 L HD11 . 27428 1 257 . 1 . 1 62 62 LEU HD12 H 1 0.215 0.03 . 2 . . . . . 62 L HD11 . 27428 1 258 . 1 . 1 62 62 LEU HD13 H 1 0.215 0.03 . 2 . . . . . 62 L HD11 . 27428 1 259 . 1 . 1 62 62 LEU HD21 H 1 -0.252 0.03 . 2 . . . . . 62 L HD21 . 27428 1 260 . 1 . 1 62 62 LEU HD22 H 1 -0.252 0.03 . 2 . . . . . 62 L HD21 . 27428 1 261 . 1 . 1 62 62 LEU HD23 H 1 -0.252 0.03 . 2 . . . . . 62 L HD21 . 27428 1 262 . 1 . 1 62 62 LEU CA C 13 55.188 0.2 . 1 . . . . . 62 L CA . 27428 1 263 . 1 . 1 62 62 LEU CB C 13 40.156 0.2 . 1 . . . . . 62 L CB . 27428 1 264 . 1 . 1 62 62 LEU CD1 C 13 25.049 0.2 . 1 . . . . . 62 L CD1 . 27428 1 265 . 1 . 1 62 62 LEU CD2 C 13 23.355 0.2 . 1 . . . . . 62 L CD2 . 27428 1 266 . 1 . 1 62 62 LEU N N 15 129.483 0.2 . 1 . . . . . 62 L N . 27428 1 267 . 1 . 1 63 63 ILE H H 1 9.357 0.03 . 1 . . . . . 63 I HN . 27428 1 268 . 1 . 1 63 63 ILE HD11 H 1 0.691 0.03 . 2 . . . . . 63 I HD11 . 27428 1 269 . 1 . 1 63 63 ILE HD12 H 1 0.691 0.03 . 2 . . . . . 63 I HD11 . 27428 1 270 . 1 . 1 63 63 ILE HD13 H 1 0.691 0.03 . 2 . . . . . 63 I HD11 . 27428 1 271 . 1 . 1 63 63 ILE CA C 13 62.000 0.2 . 1 . . . . . 63 I CA . 27428 1 272 . 1 . 1 63 63 ILE CB C 13 36.332 0.2 . 1 . . . . . 63 I CB . 27428 1 273 . 1 . 1 63 63 ILE CD1 C 13 10.999 0.2 . 1 . . . . . 63 I CD1 . 27428 1 274 . 1 . 1 63 63 ILE N N 15 128.337 0.2 . 1 . . . . . 63 I N . 27428 1 275 . 1 . 1 64 64 SER H H 1 7.185 0.03 . 1 . . . . . 64 S HN . 27428 1 276 . 1 . 1 64 64 SER CA C 13 57.404 0.2 . 1 . . . . . 64 S CA . 27428 1 277 . 1 . 1 64 64 SER CB C 13 64.476 0.2 . 1 . . . . . 64 S CB . 27428 1 278 . 1 . 1 64 64 SER N N 15 109.502 0.2 . 1 . . . . . 64 S N . 27428 1 279 . 1 . 1 65 65 LYS H H 1 8.104 0.03 . 1 . . . . . 65 K HN . 27428 1 280 . 1 . 1 65 65 LYS CA C 13 54.601 0.2 . 1 . . . . . 65 K CA . 27428 1 281 . 1 . 1 65 65 LYS CB C 13 35.321 0.2 . 1 . . . . . 65 K CB . 27428 1 282 . 1 . 1 65 65 LYS N N 15 119.979 0.2 . 1 . . . . . 65 K N . 27428 1 283 . 1 . 1 66 66 PHE H H 1 8.426 0.03 . 1 . . . . . 66 F HN . 27428 1 284 . 1 . 1 66 66 PHE CA C 13 56.519 0.2 . 1 . . . . . 66 F CA . 27428 1 285 . 1 . 1 66 66 PHE CB C 13 41.528 0.2 . 1 . . . . . 66 F CB . 27428 1 286 . 1 . 1 66 66 PHE N N 15 115.217 0.2 . 1 . . . . . 66 F N . 27428 1 287 . 1 . 1 67 67 ASP H H 1 9.280 0.03 . 1 . . . . . 67 D HN . 27428 1 288 . 1 . 1 67 67 ASP CA C 13 53.642 0.2 . 1 . . . . . 67 D CA . 27428 1 289 . 1 . 1 67 67 ASP CB C 13 41.132 0.2 . 1 . . . . . 67 D CB . 27428 1 290 . 1 . 1 67 67 ASP N N 15 116.289 0.2 . 1 . . . . . 67 D N . 27428 1 291 . 1 . 1 68 68 THR H H 1 7.469 0.03 . 1 . . . . . 68 T HN . 27428 1 292 . 1 . 1 68 68 THR CA C 13 59.769 0.2 . 1 . . . . . 68 T CA . 27428 1 293 . 1 . 1 68 68 THR CB C 13 73.412 0.2 . 1 . . . . . 68 T CB . 27428 1 294 . 1 . 1 68 68 THR N N 15 107.194 0.2 . 1 . . . . . 68 T N . 27428 1 295 . 1 . 1 69 69 VAL H H 1 8.800 0.03 . 1 . . . . . 69 V HN . 27428 1 296 . 1 . 1 69 69 VAL HG11 H 1 0.876 0.03 . 2 . . . . . 69 V HG11 . 27428 1 297 . 1 . 1 69 69 VAL HG12 H 1 0.876 0.03 . 2 . . . . . 69 V HG11 . 27428 1 298 . 1 . 1 69 69 VAL HG13 H 1 0.876 0.03 . 2 . . . . . 69 V HG11 . 27428 1 299 . 1 . 1 69 69 VAL HG21 H 1 0.970 0.03 . 2 . . . . . 69 V HG21 . 27428 1 300 . 1 . 1 69 69 VAL HG22 H 1 0.970 0.03 . 2 . . . . . 69 V HG21 . 27428 1 301 . 1 . 1 69 69 VAL HG23 H 1 0.970 0.03 . 2 . . . . . 69 V HG21 . 27428 1 302 . 1 . 1 69 69 VAL CA C 13 65.958 0.2 . 1 . . . . . 69 V CA . 27428 1 303 . 1 . 1 69 69 VAL CB C 13 32.465 0.2 . 1 . . . . . 69 V CB . 27428 1 304 . 1 . 1 69 69 VAL CG1 C 13 22.777 0.2 . 2 . . . . . 69 V CG1 . 27428 1 305 . 1 . 1 69 69 VAL CG2 C 13 21.398 0.2 . 2 . . . . . 69 V CG2 . 27428 1 306 . 1 . 1 69 69 VAL N N 15 123.342 0.2 . 1 . . . . . 69 V N . 27428 1 307 . 1 . 1 70 70 GLU H H 1 9.798 0.03 . 1 . . . . . 70 E HN . 27428 1 308 . 1 . 1 70 70 GLU CA C 13 61.196 0.2 . 1 . . . . . 70 E CA . 27428 1 309 . 1 . 1 70 70 GLU CB C 13 27.088 0.2 . 1 . . . . . 70 E CB . 27428 1 310 . 1 . 1 70 70 GLU N N 15 119.946 0.2 . 1 . . . . . 70 E N . 27428 1 311 . 1 . 1 71 71 ASP H H 1 8.126 0.03 . 1 . . . . . 71 D HN . 27428 1 312 . 1 . 1 71 71 ASP CA C 13 56.482 0.2 . 1 . . . . . 71 D CA . 27428 1 313 . 1 . 1 71 71 ASP CB C 13 40.760 0.2 . 1 . . . . . 71 D CB . 27428 1 314 . 1 . 1 71 71 ASP N N 15 118.871 0.2 . 1 . . . . . 71 D N . 27428 1 315 . 1 . 1 72 72 PHE H H 1 7.539 0.03 . 1 . . . . . 72 F HN . 27428 1 316 . 1 . 1 72 72 PHE CA C 13 60.579 0.2 . 1 . . . . . 72 F CA . 27428 1 317 . 1 . 1 72 72 PHE CB C 13 35.136 0.2 . 1 . . . . . 72 F CB . 27428 1 318 . 1 . 1 72 72 PHE N N 15 123.239 0.2 . 1 . . . . . 72 F N . 27428 1 319 . 1 . 1 73 73 TRP H H 1 7.572 0.03 . 1 . . . . . 73 W HN . 27428 1 320 . 1 . 1 73 73 TRP CA C 13 59.504 0.2 . 1 . . . . . 73 W CA . 27428 1 321 . 1 . 1 73 73 TRP CB C 13 28.057 0.2 . 1 . . . . . 73 W CB . 27428 1 322 . 1 . 1 73 73 TRP N N 15 119.348 0.2 . 1 . . . . . 73 W N . 27428 1 323 . 1 . 1 74 74 ALA H H 1 7.747 0.03 . 1 . . . . . 74 A HN . 27428 1 324 . 1 . 1 74 74 ALA CA C 13 54.203 0.2 . 1 . . . . . 74 A CA . 27428 1 325 . 1 . 1 74 74 ALA CB C 13 17.055 0.2 . 1 . . . . . 74 A CB . 27428 1 326 . 1 . 1 74 74 ALA N N 15 119.871 0.2 . 1 . . . . . 74 A N . 27428 1 327 . 1 . 1 75 75 LEU H H 1 6.972 0.03 . 1 . . . . . 75 L HN . 27428 1 328 . 1 . 1 75 75 LEU HD11 H 1 0.630 0.03 . 2 . . . . . 75 L HD11 . 27428 1 329 . 1 . 1 75 75 LEU HD12 H 1 0.630 0.03 . 2 . . . . . 75 L HD11 . 27428 1 330 . 1 . 1 75 75 LEU HD13 H 1 0.630 0.03 . 2 . . . . . 75 L HD11 . 27428 1 331 . 1 . 1 75 75 LEU HD21 H 1 0.683 0.03 . 2 . . . . . 75 L HD21 . 27428 1 332 . 1 . 1 75 75 LEU HD22 H 1 0.683 0.03 . 2 . . . . . 75 L HD21 . 27428 1 333 . 1 . 1 75 75 LEU HD23 H 1 0.683 0.03 . 2 . . . . . 75 L HD21 . 27428 1 334 . 1 . 1 75 75 LEU CA C 13 56.714 0.2 . 1 . . . . . 75 L CA . 27428 1 335 . 1 . 1 75 75 LEU CB C 13 40.372 0.2 . 1 . . . . . 75 L CB . 27428 1 336 . 1 . 1 75 75 LEU CD1 C 13 22.960 0.2 . 2 . . . . . 75 L CD1 . 27428 1 337 . 1 . 1 75 75 LEU CD2 C 13 26.649 0.2 . 2 . . . . . 75 L CD2 . 27428 1 338 . 1 . 1 75 75 LEU N N 15 119.768 0.2 . 1 . . . . . 75 L N . 27428 1 339 . 1 . 1 76 76 TYR H H 1 8.306 0.03 . 1 . . . . . 76 Y HN . 27428 1 340 . 1 . 1 76 76 TYR CA C 13 61.721 0.2 . 1 . . . . . 76 Y CA . 27428 1 341 . 1 . 1 76 76 TYR CB C 13 37.831 0.2 . 1 . . . . . 76 Y CB . 27428 1 342 . 1 . 1 76 76 TYR N N 15 119.738 0.2 . 1 . . . . . 76 Y N . 27428 1 343 . 1 . 1 77 77 ASN H H 1 8.153 0.03 . 1 . . . . . 77 N HN . 27428 1 344 . 1 . 1 77 77 ASN CA C 13 53.935 0.2 . 1 . . . . . 77 N CA . 27428 1 345 . 1 . 1 77 77 ASN CB C 13 37.751 0.2 . 1 . . . . . 77 N CB . 27428 1 346 . 1 . 1 77 77 ASN N N 15 111.201 0.2 . 1 . . . . . 77 N N . 27428 1 347 . 1 . 1 78 78 HIS H H 1 7.523 0.03 . 1 . . . . . 78 H HN . 27428 1 348 . 1 . 1 78 78 HIS CA C 13 56.562 0.2 . 1 . . . . . 78 H CA . 27428 1 349 . 1 . 1 78 78 HIS CB C 13 30.459 0.2 . 1 . . . . . 78 H CB . 27428 1 350 . 1 . 1 78 78 HIS N N 15 117.993 0.2 . 1 . . . . . 78 H N . 27428 1 351 . 1 . 1 79 79 ILE H H 1 6.882 0.03 . 1 . . . . . 79 I HN . 27428 1 352 . 1 . 1 79 79 ILE HD11 H 1 0.218 0.03 . 2 . . . . . 79 I HD11 . 27428 1 353 . 1 . 1 79 79 ILE HD12 H 1 0.218 0.03 . 2 . . . . . 79 I HD11 . 27428 1 354 . 1 . 1 79 79 ILE HD13 H 1 0.218 0.03 . 2 . . . . . 79 I HD11 . 27428 1 355 . 1 . 1 79 79 ILE CA C 13 59.751 0.2 . 1 . . . . . 79 I CA . 27428 1 356 . 1 . 1 79 79 ILE CB C 13 38.966 0.2 . 1 . . . . . 79 I CB . 27428 1 357 . 1 . 1 79 79 ILE CD1 C 13 13.683 0.2 . 1 . . . . . 79 I CD1 . 27428 1 358 . 1 . 1 79 79 ILE N N 15 113.947 0.2 . 1 . . . . . 79 I N . 27428 1 359 . 1 . 1 80 80 GLN H H 1 7.986 0.03 . 1 . . . . . 80 Q HN . 27428 1 360 . 1 . 1 80 80 GLN CA C 13 55.815 0.2 . 1 . . . . . 80 Q CA . 27428 1 361 . 1 . 1 80 80 GLN CB C 13 28.657 0.2 . 1 . . . . . 80 Q CB . 27428 1 362 . 1 . 1 80 80 GLN N N 15 120.971 0.2 . 1 . . . . . 80 Q N . 27428 1 363 . 1 . 1 81 81 LEU H H 1 8.631 0.03 . 1 . . . . . 81 L HN . 27428 1 364 . 1 . 1 81 81 LEU HD11 H 1 0.751 0.03 . 2 . . . . . 81 L HD11 . 27428 1 365 . 1 . 1 81 81 LEU HD12 H 1 0.751 0.03 . 2 . . . . . 81 L HD11 . 27428 1 366 . 1 . 1 81 81 LEU HD13 H 1 0.751 0.03 . 2 . . . . . 81 L HD11 . 27428 1 367 . 1 . 1 81 81 LEU HD21 H 1 0.683 0.03 . 2 . . . . . 81 L HD21 . 27428 1 368 . 1 . 1 81 81 LEU HD22 H 1 0.683 0.03 . 2 . . . . . 81 L HD21 . 27428 1 369 . 1 . 1 81 81 LEU HD23 H 1 0.683 0.03 . 2 . . . . . 81 L HD21 . 27428 1 370 . 1 . 1 81 81 LEU CA C 13 55.012 0.2 . 1 . . . . . 81 L CA . 27428 1 371 . 1 . 1 81 81 LEU CB C 13 41.118 0.2 . 1 . . . . . 81 L CB . 27428 1 372 . 1 . 1 81 81 LEU CD1 C 13 22.790 0.2 . 2 . . . . . 81 L CD1 . 27428 1 373 . 1 . 1 81 81 LEU CD2 C 13 25.289 0.2 . 2 . . . . . 81 L CD2 . 27428 1 374 . 1 . 1 81 81 LEU N N 15 128.226 0.2 . 1 . . . . . 81 L N . 27428 1 375 . 1 . 1 82 82 SER H H 1 9.414 0.03 . 1 . . . . . 82 S HN . 27428 1 376 . 1 . 1 82 82 SER CA C 13 62.745 0.2 . 1 . . . . . 82 S CA . 27428 1 377 . 1 . 1 82 82 SER N N 15 121.213 0.2 . 1 . . . . . 82 S N . 27428 1 378 . 1 . 1 83 83 SER H H 1 9.329 0.03 . 1 . . . . . 83 S HN . 27428 1 379 . 1 . 1 83 83 SER CA C 13 60.093 0.2 . 1 . . . . . 83 S CA . 27428 1 380 . 1 . 1 83 83 SER N N 15 113.636 0.2 . 1 . . . . . 83 S N . 27428 1 381 . 1 . 1 84 84 ASN H H 1 7.814 0.03 . 1 . . . . . 84 N HN . 27428 1 382 . 1 . 1 84 84 ASN CA C 13 52.049 0.2 . 1 . . . . . 84 N CA . 27428 1 383 . 1 . 1 84 84 ASN CB C 13 39.570 0.2 . 1 . . . . . 84 N CB . 27428 1 384 . 1 . 1 84 84 ASN N N 15 120.008 0.2 . 1 . . . . . 84 N N . 27428 1 385 . 1 . 1 85 85 LEU H H 1 7.463 0.03 . 1 . . . . . 85 L HN . 27428 1 386 . 1 . 1 85 85 LEU HD11 H 1 0.387 0.03 . 2 . . . . . 85 L HD11 . 27428 1 387 . 1 . 1 85 85 LEU HD12 H 1 0.387 0.03 . 2 . . . . . 85 L HD11 . 27428 1 388 . 1 . 1 85 85 LEU HD13 H 1 0.387 0.03 . 2 . . . . . 85 L HD11 . 27428 1 389 . 1 . 1 85 85 LEU HD21 H 1 0.182 0.03 . 2 . . . . . 85 L HD21 . 27428 1 390 . 1 . 1 85 85 LEU HD22 H 1 0.182 0.03 . 2 . . . . . 85 L HD21 . 27428 1 391 . 1 . 1 85 85 LEU HD23 H 1 0.182 0.03 . 2 . . . . . 85 L HD21 . 27428 1 392 . 1 . 1 85 85 LEU CA C 13 54.416 0.2 . 1 . . . . . 85 L CA . 27428 1 393 . 1 . 1 85 85 LEU CB C 13 41.341 0.2 . 1 . . . . . 85 L CB . 27428 1 394 . 1 . 1 85 85 LEU CD1 C 13 22.043 0.2 . 2 . . . . . 85 L CD1 . 27428 1 395 . 1 . 1 85 85 LEU CD2 C 13 23.492 0.2 . 2 . . . . . 85 L CD2 . 27428 1 396 . 1 . 1 85 85 LEU N N 15 122.339 0.2 . 1 . . . . . 85 L N . 27428 1 397 . 1 . 1 86 86 MET H H 1 8.036 0.03 . 1 . . . . . 86 M HN . 27428 1 398 . 1 . 1 86 86 MET N N 15 120.222 0.2 . 1 . . . . . 86 M N . 27428 1 399 . 1 . 1 87 87 PRO CA C 13 63.393 0.2 . 1 . . . . . 87 P CA . 27428 1 400 . 1 . 1 87 87 PRO CB C 13 30.440 0.2 . 1 . . . . . 87 P CB . 27428 1 401 . 1 . 1 88 88 GLY H H 1 8.911 0.03 . 1 . . . . . 88 G HN . 27428 1 402 . 1 . 1 88 88 GLY CA C 13 44.489 0.2 . 1 . . . . . 88 G CA . 27428 1 403 . 1 . 1 88 88 GLY N N 15 112.382 0.2 . 1 . . . . . 88 G N . 27428 1 404 . 1 . 1 89 89 CYS H H 1 7.392 0.03 . 1 . . . . . 89 C HN . 27428 1 405 . 1 . 1 89 89 CYS CA C 13 58.425 0.2 . 1 . . . . . 89 C CA . 27428 1 406 . 1 . 1 89 89 CYS CB C 13 30.461 0.2 . 1 . . . . . 89 C CB . 27428 1 407 . 1 . 1 89 89 CYS N N 15 118.178 0.2 . 1 . . . . . 89 C N . 27428 1 408 . 1 . 1 90 90 ASP H H 1 7.688 0.03 . 1 . . . . . 90 D HN . 27428 1 409 . 1 . 1 90 90 ASP CA C 13 51.844 0.2 . 1 . . . . . 90 D CA . 27428 1 410 . 1 . 1 90 90 ASP CB C 13 44.885 0.2 . 1 . . . . . 90 D CB . 27428 1 411 . 1 . 1 90 90 ASP N N 15 116.380 0.2 . 1 . . . . . 90 D N . 27428 1 412 . 1 . 1 93 93 LEU HD11 H 1 0.990 0.03 . 2 . . . . . 93 L HD11 . 27428 1 413 . 1 . 1 93 93 LEU HD12 H 1 0.990 0.03 . 2 . . . . . 93 L HD11 . 27428 1 414 . 1 . 1 93 93 LEU HD13 H 1 0.990 0.03 . 2 . . . . . 93 L HD11 . 27428 1 415 . 1 . 1 93 93 LEU HD21 H 1 0.186 0.03 . 2 . . . . . 93 L HD21 . 27428 1 416 . 1 . 1 93 93 LEU HD22 H 1 0.186 0.03 . 2 . . . . . 93 L HD21 . 27428 1 417 . 1 . 1 93 93 LEU HD23 H 1 0.186 0.03 . 2 . . . . . 93 L HD21 . 27428 1 418 . 1 . 1 93 93 LEU CD1 C 13 25.472 0.2 . 2 . . . . . 93 L CD1 . 27428 1 419 . 1 . 1 93 93 LEU CD2 C 13 25.596 0.2 . 2 . . . . . 93 L CD2 . 27428 1 420 . 1 . 1 95 95 LYS CA C 13 57.256 0.2 . 1 . . . . . 95 K CA . 27428 1 421 . 1 . 1 95 95 LYS CB C 13 32.224 0.2 . 1 . . . . . 95 K CB . 27428 1 422 . 1 . 1 96 96 ASP H H 1 8.101 0.03 . 1 . . . . . 96 D HN . 27428 1 423 . 1 . 1 96 96 ASP CA C 13 55.344 0.2 . 1 . . . . . 96 D CA . 27428 1 424 . 1 . 1 96 96 ASP CB C 13 40.549 0.2 . 1 . . . . . 96 D CB . 27428 1 425 . 1 . 1 96 96 ASP N N 15 120.877 0.2 . 1 . . . . . 96 D N . 27428 1 426 . 1 . 1 97 97 GLY H H 1 8.779 0.03 . 1 . . . . . 97 G HN . 27428 1 427 . 1 . 1 97 97 GLY CA C 13 44.409 0.2 . 1 . . . . . 97 G CA . 27428 1 428 . 1 . 1 97 97 GLY N N 15 115.433 0.2 . 1 . . . . . 97 G N . 27428 1 429 . 1 . 1 98 98 ILE H H 1 8.100 0.03 . 1 . . . . . 98 I HN . 27428 1 430 . 1 . 1 98 98 ILE HD11 H 1 0.857 0.03 . 2 . . . . . 98 I HD11 . 27428 1 431 . 1 . 1 98 98 ILE HD12 H 1 0.857 0.03 . 2 . . . . . 98 I HD11 . 27428 1 432 . 1 . 1 98 98 ILE HD13 H 1 0.857 0.03 . 2 . . . . . 98 I HD11 . 27428 1 433 . 1 . 1 98 98 ILE CA C 13 60.471 0.2 . 1 . . . . . 98 I CA . 27428 1 434 . 1 . 1 98 98 ILE CB C 13 38.236 0.2 . 1 . . . . . 98 I CB . 27428 1 435 . 1 . 1 98 98 ILE CD1 C 13 13.992 0.2 . 1 . . . . . 98 I CD1 . 27428 1 436 . 1 . 1 98 98 ILE N N 15 121.672 0.2 . 1 . . . . . 98 I N . 27428 1 437 . 1 . 1 99 99 GLU H H 1 8.931 0.03 . 1 . . . . . 99 E HN . 27428 1 438 . 1 . 1 99 99 GLU CA C 13 53.973 0.2 . 1 . . . . . 99 E CA . 27428 1 439 . 1 . 1 99 99 GLU CB C 13 28.316 0.2 . 1 . . . . . 99 E CB . 27428 1 440 . 1 . 1 99 99 GLU N N 15 129.958 0.2 . 1 . . . . . 99 E N . 27428 1 441 . 1 . 1 100 100 PRO CA C 13 61.125 0.2 . 1 . . . . . 100 P CA . 27428 1 442 . 1 . 1 100 100 PRO CB C 13 27.405 0.2 . 1 . . . . . 100 P CB . 27428 1 443 . 1 . 1 101 101 MET H H 1 8.070 0.03 . 1 . . . . . 101 M HN . 27428 1 444 . 1 . 1 101 101 MET CA C 13 52.553 0.2 . 1 . . . . . 101 M CA . 27428 1 445 . 1 . 1 101 101 MET CB C 13 35.937 0.2 . 1 . . . . . 101 M CB . 27428 1 446 . 1 . 1 101 101 MET N N 15 115.152 0.2 . 1 . . . . . 101 M N . 27428 1 447 . 1 . 1 103 103 GLU CA C 13 59.086 0.2 . 1 . . . . . 103 E CA . 27428 1 448 . 1 . 1 103 103 GLU CB C 13 28.040 0.2 . 1 . . . . . 103 E CB . 27428 1 449 . 1 . 1 104 104 ASP H H 1 7.166 0.03 . 1 . . . . . 104 D HN . 27428 1 450 . 1 . 1 104 104 ASP CA C 13 54.644 0.2 . 1 . . . . . 104 D CA . 27428 1 451 . 1 . 1 104 104 ASP CB C 13 44.949 0.2 . 1 . . . . . 104 D CB . 27428 1 452 . 1 . 1 104 104 ASP N N 15 121.245 0.2 . 1 . . . . . 104 D N . 27428 1 453 . 1 . 1 105 105 GLU H H 1 9.205 0.03 . 1 . . . . . 105 E HN . 27428 1 454 . 1 . 1 105 105 GLU CA C 13 59.526 0.2 . 1 . . . . . 105 E CA . 27428 1 455 . 1 . 1 105 105 GLU CB C 13 29.220 0.2 . 1 . . . . . 105 E CB . 27428 1 456 . 1 . 1 105 105 GLU N N 15 129.836 0.2 . 1 . . . . . 105 E N . 27428 1 457 . 1 . 1 106 106 LYS H H 1 9.749 0.03 . 1 . . . . . 106 K HN . 27428 1 458 . 1 . 1 106 106 LYS CA C 13 56.277 0.2 . 1 . . . . . 106 K CA . 27428 1 459 . 1 . 1 106 106 LYS CB C 13 30.758 0.2 . 1 . . . . . 106 K CB . 27428 1 460 . 1 . 1 106 106 LYS N N 15 115.972 0.2 . 1 . . . . . 106 K N . 27428 1 461 . 1 . 1 107 107 ASN H H 1 8.172 0.03 . 1 . . . . . 107 N HN . 27428 1 462 . 1 . 1 107 107 ASN CA C 13 53.133 0.2 . 1 . . . . . 107 N CA . 27428 1 463 . 1 . 1 107 107 ASN N N 15 114.540 0.2 . 1 . . . . . 107 N N . 27428 1 464 . 1 . 1 108 108 LYS H H 1 7.976 0.03 . 1 . . . . . 108 K HN . 27428 1 465 . 1 . 1 108 108 LYS CA C 13 60.434 0.2 . 1 . . . . . 108 K CA . 27428 1 466 . 1 . 1 108 108 LYS CB C 13 31.653 0.2 . 1 . . . . . 108 K CB . 27428 1 467 . 1 . 1 108 108 LYS N N 15 123.380 0.2 . 1 . . . . . 108 K N . 27428 1 468 . 1 . 1 109 109 ARG H H 1 9.165 0.03 . 1 . . . . . 109 R HN . 27428 1 469 . 1 . 1 109 109 ARG CA C 13 55.428 0.2 . 1 . . . . . 109 R CA . 27428 1 470 . 1 . 1 109 109 ARG CB C 13 28.477 0.2 . 1 . . . . . 109 R CB . 27428 1 471 . 1 . 1 109 109 ARG N N 15 121.133 0.2 . 1 . . . . . 109 R N . 27428 1 472 . 1 . 1 110 110 GLY H H 1 8.189 0.03 . 1 . . . . . 110 G HN . 27428 1 473 . 1 . 1 110 110 GLY CA C 13 44.263 0.2 . 1 . . . . . 110 G CA . 27428 1 474 . 1 . 1 110 110 GLY N N 15 110.261 0.2 . 1 . . . . . 110 G N . 27428 1 475 . 1 . 1 111 111 GLY H H 1 7.340 0.03 . 1 . . . . . 111 G HN . 27428 1 476 . 1 . 1 111 111 GLY CA C 13 44.911 0.2 . 1 . . . . . 111 G CA . 27428 1 477 . 1 . 1 111 111 GLY N N 15 112.728 0.2 . 1 . . . . . 111 G N . 27428 1 478 . 1 . 1 112 112 ARG H H 1 7.582 0.03 . 1 . . . . . 112 R HN . 27428 1 479 . 1 . 1 112 112 ARG N N 15 114.100 0.2 . 1 . . . . . 112 R N . 27428 1 480 . 1 . 1 114 114 LEU HD11 H 1 0.586 0.03 . 2 . . . . . 114 L HD11 . 27428 1 481 . 1 . 1 114 114 LEU HD12 H 1 0.586 0.03 . 2 . . . . . 114 L HD11 . 27428 1 482 . 1 . 1 114 114 LEU HD13 H 1 0.586 0.03 . 2 . . . . . 114 L HD11 . 27428 1 483 . 1 . 1 114 114 LEU HD21 H 1 0.708 0.03 . 2 . . . . . 114 L HD21 . 27428 1 484 . 1 . 1 114 114 LEU HD22 H 1 0.708 0.03 . 2 . . . . . 114 L HD21 . 27428 1 485 . 1 . 1 114 114 LEU HD23 H 1 0.708 0.03 . 2 . . . . . 114 L HD21 . 27428 1 486 . 1 . 1 114 114 LEU CD1 C 13 25.358 0.2 . 2 . . . . . 114 L CD1 . 27428 1 487 . 1 . 1 114 114 LEU CD2 C 13 24.032 0.2 . 2 . . . . . 114 L CD2 . 27428 1 488 . 1 . 1 115 115 ILE HD11 H 1 0.361 0.03 . 2 . . . . . 115 I HD11 . 27428 1 489 . 1 . 1 115 115 ILE HD12 H 1 0.361 0.03 . 2 . . . . . 115 I HD11 . 27428 1 490 . 1 . 1 115 115 ILE HD13 H 1 0.361 0.03 . 2 . . . . . 115 I HD11 . 27428 1 491 . 1 . 1 115 115 ILE CA C 13 59.222 0.2 . 1 . . . . . 115 I CA . 27428 1 492 . 1 . 1 115 115 ILE CB C 13 38.597 0.2 . 1 . . . . . 115 I CB . 27428 1 493 . 1 . 1 115 115 ILE CD1 C 13 13.116 0.2 . 1 . . . . . 115 I CD1 . 27428 1 494 . 1 . 1 116 116 THR H H 1 8.114 0.03 . 1 . . . . . 116 T HN . 27428 1 495 . 1 . 1 116 116 THR CA C 13 60.285 0.2 . 1 . . . . . 116 T CA . 27428 1 496 . 1 . 1 116 116 THR CB C 13 69.042 0.2 . 1 . . . . . 116 T CB . 27428 1 497 . 1 . 1 116 116 THR N N 15 118.989 0.2 . 1 . . . . . 116 T N . 27428 1 498 . 1 . 1 117 117 LEU H H 1 8.860 0.03 . 1 . . . . . 117 L HN . 27428 1 499 . 1 . 1 117 117 LEU HD11 H 1 0.596 0.03 . 2 . . . . . 117 L HD11 . 27428 1 500 . 1 . 1 117 117 LEU HD12 H 1 0.596 0.03 . 2 . . . . . 117 L HD11 . 27428 1 501 . 1 . 1 117 117 LEU HD13 H 1 0.596 0.03 . 2 . . . . . 117 L HD11 . 27428 1 502 . 1 . 1 117 117 LEU HD21 H 1 0.663 0.03 . 2 . . . . . 117 L HD21 . 27428 1 503 . 1 . 1 117 117 LEU HD22 H 1 0.663 0.03 . 2 . . . . . 117 L HD21 . 27428 1 504 . 1 . 1 117 117 LEU HD23 H 1 0.663 0.03 . 2 . . . . . 117 L HD21 . 27428 1 505 . 1 . 1 117 117 LEU CA C 13 53.662 0.2 . 1 . . . . . 117 L CA . 27428 1 506 . 1 . 1 117 117 LEU CB C 13 42.580 0.2 . 1 . . . . . 117 L CB . 27428 1 507 . 1 . 1 117 117 LEU CD1 C 13 24.415 0.2 . 2 . . . . . 117 L CD1 . 27428 1 508 . 1 . 1 117 117 LEU CD2 C 13 25.537 0.2 . 2 . . . . . 117 L CD2 . 27428 1 509 . 1 . 1 117 117 LEU N N 15 127.098 0.2 . 1 . . . . . 117 L N . 27428 1 510 . 1 . 1 118 118 ASN H H 1 8.643 0.03 . 1 . . . . . 118 N HN . 27428 1 511 . 1 . 1 118 118 ASN CA C 13 51.694 0.2 . 1 . . . . . 118 N CA . 27428 1 512 . 1 . 1 118 118 ASN CB C 13 38.859 0.2 . 1 . . . . . 118 N CB . 27428 1 513 . 1 . 1 118 118 ASN N N 15 119.196 0.2 . 1 . . . . . 118 N N . 27428 1 514 . 1 . 1 119 119 LYS H H 1 8.782 0.03 . 1 . . . . . 119 K HN . 27428 1 515 . 1 . 1 119 119 LYS CB C 13 30.996 0.2 . 1 . . . . . 119 K CB . 27428 1 516 . 1 . 1 119 119 LYS N N 15 123.356 0.2 . 1 . . . . . 119 K N . 27428 1 517 . 1 . 1 120 120 GLN H H 1 8.561 0.03 . 1 . . . . . 120 Q HN . 27428 1 518 . 1 . 1 120 120 GLN CA C 13 57.809 0.2 . 1 . . . . . 120 Q CA . 27428 1 519 . 1 . 1 120 120 GLN CB C 13 27.047 0.2 . 1 . . . . . 120 Q CB . 27428 1 520 . 1 . 1 120 120 GLN N N 15 119.161 0.2 . 1 . . . . . 120 Q N . 27428 1 521 . 1 . 1 121 121 GLN H H 1 7.881 0.03 . 1 . . . . . 121 Q HN . 27428 1 522 . 1 . 1 121 121 GLN CA C 13 55.935 0.2 . 1 . . . . . 121 Q CA . 27428 1 523 . 1 . 1 121 121 GLN CB C 13 29.986 0.2 . 1 . . . . . 121 Q CB . 27428 1 524 . 1 . 1 121 121 GLN N N 15 117.577 0.2 . 1 . . . . . 121 Q N . 27428 1 525 . 1 . 1 122 122 ARG H H 1 7.517 0.03 . 1 . . . . . 122 R HN . 27428 1 526 . 1 . 1 122 122 ARG CA C 13 59.204 0.2 . 1 . . . . . 122 R CA . 27428 1 527 . 1 . 1 122 122 ARG CB C 13 29.312 0.2 . 1 . . . . . 122 R CB . 27428 1 528 . 1 . 1 122 122 ARG N N 15 123.161 0.2 . 1 . . . . . 122 R N . 27428 1 529 . 1 . 1 123 123 ARG CA C 13 57.298 0.2 . 1 . . . . . 123 R CA . 27428 1 530 . 1 . 1 123 123 ARG CB C 13 28.903 0.2 . 1 . . . . . 123 R CB . 27428 1 531 . 1 . 1 124 124 SER H H 1 7.555 0.03 . 1 . . . . . 124 S HN . 27428 1 532 . 1 . 1 124 124 SER CA C 13 59.204 0.2 . 1 . . . . . 124 S CA . 27428 1 533 . 1 . 1 124 124 SER CB C 13 63.050 0.2 . 1 . . . . . 124 S CB . 27428 1 534 . 1 . 1 124 124 SER N N 15 111.273 0.2 . 1 . . . . . 124 S N . 27428 1 535 . 1 . 1 125 125 ASP H H 1 7.999 0.03 . 1 . . . . . 125 D HN . 27428 1 536 . 1 . 1 125 125 ASP CA C 13 55.829 0.2 . 1 . . . . . 125 D CA . 27428 1 537 . 1 . 1 125 125 ASP N N 15 121.194 0.2 . 1 . . . . . 125 D N . 27428 1 538 . 1 . 1 126 126 LEU H H 1 7.369 0.03 . 1 . . . . . 126 L HN . 27428 1 539 . 1 . 1 126 126 LEU HD11 H 1 0.711 0.03 . 2 . . . . . 126 L HD11 . 27428 1 540 . 1 . 1 126 126 LEU HD12 H 1 0.711 0.03 . 2 . . . . . 126 L HD11 . 27428 1 541 . 1 . 1 126 126 LEU HD13 H 1 0.711 0.03 . 2 . . . . . 126 L HD11 . 27428 1 542 . 1 . 1 126 126 LEU HD21 H 1 0.498 0.03 . 2 . . . . . 126 L HD21 . 27428 1 543 . 1 . 1 126 126 LEU HD22 H 1 0.498 0.03 . 2 . . . . . 126 L HD21 . 27428 1 544 . 1 . 1 126 126 LEU HD23 H 1 0.498 0.03 . 2 . . . . . 126 L HD21 . 27428 1 545 . 1 . 1 126 126 LEU CA C 13 59.988 0.2 . 1 . . . . . 126 L CA . 27428 1 546 . 1 . 1 126 126 LEU CB C 13 41.417 0.2 . 1 . . . . . 126 L CB . 27428 1 547 . 1 . 1 126 126 LEU CD1 C 13 23.156 0.2 . 2 . . . . . 126 L CD1 . 27428 1 548 . 1 . 1 126 126 LEU CD2 C 13 25.921 0.2 . 2 . . . . . 126 L CD2 . 27428 1 549 . 1 . 1 126 126 LEU N N 15 120.256 0.2 . 1 . . . . . 126 L N . 27428 1 550 . 1 . 1 127 127 ASP H H 1 8.681 0.03 . 1 . . . . . 127 D HN . 27428 1 551 . 1 . 1 127 127 ASP CA C 13 57.522 0.2 . 1 . . . . . 127 D CA . 27428 1 552 . 1 . 1 127 127 ASP CB C 13 39.591 0.2 . 1 . . . . . 127 D CB . 27428 1 553 . 1 . 1 127 127 ASP N N 15 116.106 0.2 . 1 . . . . . 127 D N . 27428 1 554 . 1 . 1 128 128 ARG H H 1 8.103 0.03 . 1 . . . . . 128 R HN . 27428 1 555 . 1 . 1 128 128 ARG CA C 13 58.883 0.2 . 1 . . . . . 128 R CA . 27428 1 556 . 1 . 1 128 128 ARG CB C 13 28.560 0.2 . 1 . . . . . 128 R CB . 27428 1 557 . 1 . 1 128 128 ARG N N 15 121.799 0.2 . 1 . . . . . 128 R N . 27428 1 558 . 1 . 1 129 129 PHE H H 1 8.661 0.03 . 1 . . . . . 129 F HN . 27428 1 559 . 1 . 1 129 129 PHE CA C 13 57.110 0.2 . 1 . . . . . 129 F CA . 27428 1 560 . 1 . 1 129 129 PHE CB C 13 37.088 0.2 . 1 . . . . . 129 F CB . 27428 1 561 . 1 . 1 129 129 PHE N N 15 119.400 0.2 . 1 . . . . . 129 F N . 27428 1 562 . 1 . 1 130 130 TRP H H 1 9.342 0.03 . 1 . . . . . 130 W HN . 27428 1 563 . 1 . 1 130 130 TRP CA C 13 59.204 0.2 . 1 . . . . . 130 W CA . 27428 1 564 . 1 . 1 130 130 TRP CB C 13 29.698 0.2 . 1 . . . . . 130 W CB . 27428 1 565 . 1 . 1 130 130 TRP N N 15 126.263 0.2 . 1 . . . . . 130 W N . 27428 1 566 . 1 . 1 131 131 LEU H H 1 8.564 0.03 . 1 . . . . . 131 L HN . 27428 1 567 . 1 . 1 131 131 LEU HD11 H 1 0.810 0.03 . 2 . . . . . 131 L HD11 . 27428 1 568 . 1 . 1 131 131 LEU HD12 H 1 0.810 0.03 . 2 . . . . . 131 L HD11 . 27428 1 569 . 1 . 1 131 131 LEU HD13 H 1 0.810 0.03 . 2 . . . . . 131 L HD11 . 27428 1 570 . 1 . 1 131 131 LEU HD21 H 1 0.005 0.03 . 2 . . . . . 131 L HD21 . 27428 1 571 . 1 . 1 131 131 LEU HD22 H 1 0.005 0.03 . 2 . . . . . 131 L HD21 . 27428 1 572 . 1 . 1 131 131 LEU HD23 H 1 0.005 0.03 . 2 . . . . . 131 L HD21 . 27428 1 573 . 1 . 1 131 131 LEU CD1 C 13 24.981 0.2 . 2 . . . . . 131 L CD1 . 27428 1 574 . 1 . 1 131 131 LEU CD2 C 13 20.732 0.2 . 2 . . . . . 131 L CD2 . 27428 1 575 . 1 . 1 131 131 LEU N N 15 120.409 0.2 . 1 . . . . . 131 L N . 27428 1 576 . 1 . 1 134 134 LEU HD11 H 1 0.195 0.03 . 2 . . . . . 134 L HD11 . 27428 1 577 . 1 . 1 134 134 LEU HD12 H 1 0.195 0.03 . 2 . . . . . 134 L HD11 . 27428 1 578 . 1 . 1 134 134 LEU HD13 H 1 0.195 0.03 . 2 . . . . . 134 L HD11 . 27428 1 579 . 1 . 1 134 134 LEU HD21 H 1 -0.237 0.03 . 2 . . . . . 134 L HD21 . 27428 1 580 . 1 . 1 134 134 LEU HD22 H 1 -0.237 0.03 . 2 . . . . . 134 L HD21 . 27428 1 581 . 1 . 1 134 134 LEU HD23 H 1 -0.237 0.03 . 2 . . . . . 134 L HD21 . 27428 1 582 . 1 . 1 134 134 LEU CD1 C 13 24.201 0.2 . 2 . . . . . 134 L CD1 . 27428 1 583 . 1 . 1 134 134 LEU CD2 C 13 22.524 0.2 . 2 . . . . . 134 L CD2 . 27428 1 584 . 1 . 1 135 135 LEU HD11 H 1 0.091 0.03 . 2 . . . . . 135 L HD11 . 27428 1 585 . 1 . 1 135 135 LEU HD12 H 1 0.091 0.03 . 2 . . . . . 135 L HD11 . 27428 1 586 . 1 . 1 135 135 LEU HD13 H 1 0.091 0.03 . 2 . . . . . 135 L HD11 . 27428 1 587 . 1 . 1 135 135 LEU HD21 H 1 0.586 0.03 . 2 . . . . . 135 L HD21 . 27428 1 588 . 1 . 1 135 135 LEU HD22 H 1 0.586 0.03 . 2 . . . . . 135 L HD21 . 27428 1 589 . 1 . 1 135 135 LEU HD23 H 1 0.586 0.03 . 2 . . . . . 135 L HD21 . 27428 1 590 . 1 . 1 135 135 LEU CD1 C 13 21.087 0.2 . 2 . . . . . 135 L CD1 . 27428 1 591 . 1 . 1 135 135 LEU CD2 C 13 25.216 0.2 . 2 . . . . . 135 L CD2 . 27428 1 592 . 1 . 1 137 137 LEU HD11 H 1 0.517 0.03 . 2 . . . . . 137 L HD11 . 27428 1 593 . 1 . 1 137 137 LEU HD12 H 1 0.517 0.03 . 2 . . . . . 137 L HD11 . 27428 1 594 . 1 . 1 137 137 LEU HD13 H 1 0.517 0.03 . 2 . . . . . 137 L HD11 . 27428 1 595 . 1 . 1 137 137 LEU HD21 H 1 0.444 0.03 . 2 . . . . . 137 L HD21 . 27428 1 596 . 1 . 1 137 137 LEU HD22 H 1 0.444 0.03 . 2 . . . . . 137 L HD21 . 27428 1 597 . 1 . 1 137 137 LEU HD23 H 1 0.444 0.03 . 2 . . . . . 137 L HD21 . 27428 1 598 . 1 . 1 137 137 LEU CD1 C 13 23.965 0.2 . 2 . . . . . 137 L CD1 . 27428 1 599 . 1 . 1 137 137 LEU CD2 C 13 25.417 0.2 . 2 . . . . . 137 L CD2 . 27428 1 600 . 1 . 1 138 138 ILE HD11 H 1 -0.593 0.03 . 2 . . . . . 138 I HD11 . 27428 1 601 . 1 . 1 138 138 ILE HD12 H 1 -0.593 0.03 . 2 . . . . . 138 I HD11 . 27428 1 602 . 1 . 1 138 138 ILE HD13 H 1 -0.593 0.03 . 2 . . . . . 138 I HD11 . 27428 1 603 . 1 . 1 138 138 ILE CA C 13 63.276 0.2 . 1 . . . . . 138 I CA . 27428 1 604 . 1 . 1 138 138 ILE CB C 13 35.852 0.2 . 1 . . . . . 138 I CB . 27428 1 605 . 1 . 1 138 138 ILE CD1 C 13 12.251 0.2 . 1 . . . . . 138 I CD1 . 27428 1 606 . 1 . 1 139 139 GLY H H 1 7.327 0.03 . 1 . . . . . 139 G HN . 27428 1 607 . 1 . 1 139 139 GLY CA C 13 43.974 0.2 . 1 . . . . . 139 G CA . 27428 1 608 . 1 . 1 139 139 GLY N N 15 108.463 0.2 . 1 . . . . . 139 G N . 27428 1 609 . 1 . 1 140 140 GLU H H 1 7.745 0.03 . 1 . . . . . 140 E HN . 27428 1 610 . 1 . 1 140 140 GLU CA C 13 55.566 0.2 . 1 . . . . . 140 E CA . 27428 1 611 . 1 . 1 140 140 GLU CB C 13 24.571 0.2 . 1 . . . . . 140 E CB . 27428 1 612 . 1 . 1 140 140 GLU N N 15 117.482 0.2 . 1 . . . . . 140 E N . 27428 1 613 . 1 . 1 141 141 SER H H 1 7.332 0.03 . 1 . . . . . 141 S HN . 27428 1 614 . 1 . 1 141 141 SER CA C 13 59.961 0.2 . 1 . . . . . 141 S CA . 27428 1 615 . 1 . 1 141 141 SER CB C 13 61.885 0.2 . 1 . . . . . 141 S CB . 27428 1 616 . 1 . 1 141 141 SER N N 15 112.816 0.2 . 1 . . . . . 141 S N . 27428 1 617 . 1 . 1 142 142 PHE H H 1 7.856 0.03 . 1 . . . . . 142 F HN . 27428 1 618 . 1 . 1 142 142 PHE CA C 13 56.159 0.2 . 1 . . . . . 142 F CA . 27428 1 619 . 1 . 1 142 142 PHE CB C 13 36.696 0.2 . 1 . . . . . 142 F CB . 27428 1 620 . 1 . 1 142 142 PHE N N 15 117.930 0.2 . 1 . . . . . 142 F N . 27428 1 621 . 1 . 1 143 143 ASP H H 1 8.004 0.03 . 1 . . . . . 143 D HN . 27428 1 622 . 1 . 1 143 143 ASP CA C 13 55.721 0.2 . 1 . . . . . 143 D CA . 27428 1 623 . 1 . 1 143 143 ASP CB C 13 39.308 0.2 . 1 . . . . . 143 D CB . 27428 1 624 . 1 . 1 143 143 ASP N N 15 117.852 0.2 . 1 . . . . . 143 D N . 27428 1 625 . 1 . 1 144 144 ASP H H 1 8.633 0.03 . 1 . . . . . 144 D HN . 27428 1 626 . 1 . 1 144 144 ASP CA C 13 55.860 0.2 . 1 . . . . . 144 D CA . 27428 1 627 . 1 . 1 144 144 ASP CB C 13 38.695 0.2 . 1 . . . . . 144 D CB . 27428 1 628 . 1 . 1 144 144 ASP N N 15 123.929 0.2 . 1 . . . . . 144 D N . 27428 1 629 . 1 . 1 145 145 TYR H H 1 7.723 0.03 . 1 . . . . . 145 Y HN . 27428 1 630 . 1 . 1 145 145 TYR CA C 13 57.122 0.2 . 1 . . . . . 145 Y CA . 27428 1 631 . 1 . 1 145 145 TYR CB C 13 36.672 0.2 . 1 . . . . . 145 Y CB . 27428 1 632 . 1 . 1 145 145 TYR N N 15 117.545 0.2 . 1 . . . . . 145 Y N . 27428 1 633 . 1 . 1 146 146 SER H H 1 7.485 0.03 . 1 . . . . . 146 S HN . 27428 1 634 . 1 . 1 146 146 SER CA C 13 63.271 0.2 . 1 . . . . . 146 S CA . 27428 1 635 . 1 . 1 146 146 SER N N 15 117.490 0.2 . 1 . . . . . 146 S N . 27428 1 636 . 1 . 1 147 147 ASP H H 1 8.565 0.03 . 1 . . . . . 147 D HN . 27428 1 637 . 1 . 1 147 147 ASP CA C 13 56.504 0.2 . 1 . . . . . 147 D CA . 27428 1 638 . 1 . 1 147 147 ASP CB C 13 39.482 0.2 . 1 . . . . . 147 D CB . 27428 1 639 . 1 . 1 147 147 ASP N N 15 121.282 0.2 . 1 . . . . . 147 D N . 27428 1 640 . 1 . 1 148 148 ASP H H 1 7.698 0.03 . 1 . . . . . 148 D HN . 27428 1 641 . 1 . 1 148 148 ASP CA C 13 55.030 0.2 . 1 . . . . . 148 D CA . 27428 1 642 . 1 . 1 148 148 ASP CB C 13 41.733 0.2 . 1 . . . . . 148 D CB . 27428 1 643 . 1 . 1 148 148 ASP N N 15 119.628 0.2 . 1 . . . . . 148 D N . 27428 1 644 . 1 . 1 149 149 VAL H H 1 7.455 0.03 . 1 . . . . . 149 V HN . 27428 1 645 . 1 . 1 149 149 VAL HG11 H 1 0.788 0.03 . 2 . . . . . 149 V HG11 . 27428 1 646 . 1 . 1 149 149 VAL HG12 H 1 0.788 0.03 . 2 . . . . . 149 V HG11 . 27428 1 647 . 1 . 1 149 149 VAL HG13 H 1 0.788 0.03 . 2 . . . . . 149 V HG11 . 27428 1 648 . 1 . 1 149 149 VAL HG21 H 1 0.681 0.03 . 2 . . . . . 149 V HG21 . 27428 1 649 . 1 . 1 149 149 VAL HG22 H 1 0.681 0.03 . 2 . . . . . 149 V HG21 . 27428 1 650 . 1 . 1 149 149 VAL HG23 H 1 0.681 0.03 . 2 . . . . . 149 V HG21 . 27428 1 651 . 1 . 1 149 149 VAL CA C 13 63.993 0.2 . 1 . . . . . 149 V CA . 27428 1 652 . 1 . 1 149 149 VAL CB C 13 31.666 0.2 . 1 . . . . . 149 V CB . 27428 1 653 . 1 . 1 149 149 VAL CG1 C 13 21.460 0.2 . 2 . . . . . 149 V CG1 . 27428 1 654 . 1 . 1 149 149 VAL CG2 C 13 22.796 0.2 . 2 . . . . . 149 V CG2 . 27428 1 655 . 1 . 1 149 149 VAL N N 15 120.411 0.2 . 1 . . . . . 149 V N . 27428 1 656 . 1 . 1 153 153 VAL HG11 H 1 0.624 0.03 . 2 . . . . . 153 V HG11 . 27428 1 657 . 1 . 1 153 153 VAL HG12 H 1 0.624 0.03 . 2 . . . . . 153 V HG11 . 27428 1 658 . 1 . 1 153 153 VAL HG13 H 1 0.624 0.03 . 2 . . . . . 153 V HG11 . 27428 1 659 . 1 . 1 153 153 VAL HG21 H 1 0.260 0.03 . 2 . . . . . 153 V HG21 . 27428 1 660 . 1 . 1 153 153 VAL HG22 H 1 0.260 0.03 . 2 . . . . . 153 V HG21 . 27428 1 661 . 1 . 1 153 153 VAL HG23 H 1 0.260 0.03 . 2 . . . . . 153 V HG21 . 27428 1 662 . 1 . 1 153 153 VAL CG1 C 13 20.620 0.2 . 2 . . . . . 153 V CG1 . 27428 1 663 . 1 . 1 153 153 VAL CG2 C 13 20.113 0.2 . 2 . . . . . 153 V CG2 . 27428 1 664 . 1 . 1 154 154 VAL HG11 H 1 0.456 0.03 . 2 . . . . . 154 V HG11 . 27428 1 665 . 1 . 1 154 154 VAL HG12 H 1 0.456 0.03 . 2 . . . . . 154 V HG11 . 27428 1 666 . 1 . 1 154 154 VAL HG13 H 1 0.456 0.03 . 2 . . . . . 154 V HG11 . 27428 1 667 . 1 . 1 154 154 VAL HG21 H 1 -0.258 0.03 . 2 . . . . . 154 V HG21 . 27428 1 668 . 1 . 1 154 154 VAL HG22 H 1 -0.258 0.03 . 2 . . . . . 154 V HG21 . 27428 1 669 . 1 . 1 154 154 VAL HG23 H 1 -0.258 0.03 . 2 . . . . . 154 V HG21 . 27428 1 670 . 1 . 1 154 154 VAL CG1 C 13 21.377 0.2 . 2 . . . . . 154 V CG1 . 27428 1 671 . 1 . 1 154 154 VAL CG2 C 13 18.877 0.2 . 2 . . . . . 154 V CG2 . 27428 1 672 . 1 . 1 156 156 VAL HG11 H 1 0.634 0.03 . 2 . . . . . 156 V HG11 . 27428 1 673 . 1 . 1 156 156 VAL HG12 H 1 0.634 0.03 . 2 . . . . . 156 V HG11 . 27428 1 674 . 1 . 1 156 156 VAL HG13 H 1 0.634 0.03 . 2 . . . . . 156 V HG11 . 27428 1 675 . 1 . 1 156 156 VAL HG21 H 1 0.478 0.03 . 2 . . . . . 156 V HG21 . 27428 1 676 . 1 . 1 156 156 VAL HG22 H 1 0.478 0.03 . 2 . . . . . 156 V HG21 . 27428 1 677 . 1 . 1 156 156 VAL HG23 H 1 0.478 0.03 . 2 . . . . . 156 V HG21 . 27428 1 678 . 1 . 1 156 156 VAL CA C 13 61.671 0.2 . 1 . . . . . 156 V CA . 27428 1 679 . 1 . 1 156 156 VAL CB C 13 30.132 0.2 . 1 . . . . . 156 V CB . 27428 1 680 . 1 . 1 156 156 VAL CG1 C 13 21.548 0.2 . 2 . . . . . 156 V CG1 . 27428 1 681 . 1 . 1 156 156 VAL CG2 C 13 19.541 0.2 . 2 . . . . . 156 V CG2 . 27428 1 682 . 1 . 1 157 157 ARG H H 1 9.396 0.03 . 1 . . . . . 157 R HN . 27428 1 683 . 1 . 1 157 157 ARG CA C 13 52.295 0.2 . 1 . . . . . 157 R CA . 27428 1 684 . 1 . 1 157 157 ARG CB C 13 32.335 0.2 . 1 . . . . . 157 R CB . 27428 1 685 . 1 . 1 157 157 ARG N N 15 131.785 0.2 . 1 . . . . . 157 R N . 27428 1 686 . 1 . 1 158 158 ALA H H 1 8.734 0.03 . 1 . . . . . 158 A HN . 27428 1 687 . 1 . 1 158 158 ALA CA C 13 54.236 0.2 . 1 . . . . . 158 A CA . 27428 1 688 . 1 . 1 158 158 ALA CB C 13 17.551 0.2 . 1 . . . . . 158 A CB . 27428 1 689 . 1 . 1 158 158 ALA N N 15 125.850 0.2 . 1 . . . . . 158 A N . 27428 1 690 . 1 . 1 159 159 LYS H H 1 7.855 0.03 . 1 . . . . . 159 K HN . 27428 1 691 . 1 . 1 159 159 LYS CA C 13 56.181 0.2 . 1 . . . . . 159 K CA . 27428 1 692 . 1 . 1 159 159 LYS CB C 13 31.586 0.2 . 1 . . . . . 159 K CB . 27428 1 693 . 1 . 1 159 159 LYS N N 15 113.149 0.2 . 1 . . . . . 159 K N . 27428 1 694 . 1 . 1 160 160 GLY H H 1 6.873 0.03 . 1 . . . . . 160 G HN . 27428 1 695 . 1 . 1 160 160 GLY CA C 13 44.825 0.2 . 1 . . . . . 160 G CA . 27428 1 696 . 1 . 1 160 160 GLY N N 15 110.257 0.2 . 1 . . . . . 160 G N . 27428 1 697 . 1 . 1 161 161 ASP H H 1 8.026 0.03 . 1 . . . . . 161 D HN . 27428 1 698 . 1 . 1 161 161 ASP CA C 13 54.429 0.2 . 1 . . . . . 161 D CA . 27428 1 699 . 1 . 1 161 161 ASP CB C 13 43.110 0.2 . 1 . . . . . 161 D CB . 27428 1 700 . 1 . 1 161 161 ASP N N 15 126.036 0.2 . 1 . . . . . 161 D N . 27428 1 701 . 1 . 1 163 163 ILE HD11 H 1 0.990 0.03 . 2 . . . . . 163 I HD11 . 27428 1 702 . 1 . 1 163 163 ILE HD12 H 1 0.990 0.03 . 2 . . . . . 163 I HD11 . 27428 1 703 . 1 . 1 163 163 ILE HD13 H 1 0.990 0.03 . 2 . . . . . 163 I HD11 . 27428 1 704 . 1 . 1 163 163 ILE CD1 C 13 16.284 0.2 . 1 . . . . . 163 I CD1 . 27428 1 705 . 1 . 1 165 165 ILE HD11 H 1 -0.158 0.03 . 2 . . . . . 165 I HD11 . 27428 1 706 . 1 . 1 165 165 ILE HD12 H 1 -0.158 0.03 . 2 . . . . . 165 I HD11 . 27428 1 707 . 1 . 1 165 165 ILE HD13 H 1 -0.158 0.03 . 2 . . . . . 165 I HD11 . 27428 1 708 . 1 . 1 165 165 ILE CD1 C 13 12.085 0.2 . 1 . . . . . 165 I CD1 . 27428 1 709 . 1 . 1 167 167 THR CA C 13 60.234 0.2 . 1 . . . . . 167 T CA . 27428 1 710 . 1 . 1 167 167 THR CB C 13 68.859 0.2 . 1 . . . . . 167 T CB . 27428 1 711 . 1 . 1 168 168 THR H H 1 8.673 0.03 . 1 . . . . . 168 T HN . 27428 1 712 . 1 . 1 168 168 THR CA C 13 63.111 0.2 . 1 . . . . . 168 T CA . 27428 1 713 . 1 . 1 168 168 THR CB C 13 70.322 0.2 . 1 . . . . . 168 T CB . 27428 1 714 . 1 . 1 168 168 THR N N 15 117.269 0.2 . 1 . . . . . 168 T N . 27428 1 715 . 1 . 1 169 169 GLU H H 1 8.241 0.03 . 1 . . . . . 169 E HN . 27428 1 716 . 1 . 1 169 169 GLU CA C 13 54.026 0.2 . 1 . . . . . 169 E CA . 27428 1 717 . 1 . 1 169 169 GLU CB C 13 31.620 0.2 . 1 . . . . . 169 E CB . 27428 1 718 . 1 . 1 169 169 GLU N N 15 120.374 0.2 . 1 . . . . . 169 E N . 27428 1 719 . 1 . 1 170 170 CYS H H 1 9.279 0.03 . 1 . . . . . 170 C HN . 27428 1 720 . 1 . 1 170 170 CYS CA C 13 59.729 0.2 . 1 . . . . . 170 C CA . 27428 1 721 . 1 . 1 170 170 CYS CB C 13 26.854 0.2 . 1 . . . . . 170 C CB . 27428 1 722 . 1 . 1 170 170 CYS N N 15 128.862 0.2 . 1 . . . . . 170 C N . 27428 1 723 . 1 . 1 171 171 GLU H H 1 8.904 0.03 . 1 . . . . . 171 E HN . 27428 1 724 . 1 . 1 171 171 GLU CA C 13 55.633 0.2 . 1 . . . . . 171 E CA . 27428 1 725 . 1 . 1 171 171 GLU CB C 13 27.888 0.2 . 1 . . . . . 171 E CB . 27428 1 726 . 1 . 1 171 171 GLU N N 15 116.271 0.2 . 1 . . . . . 171 E N . 27428 1 727 . 1 . 1 172 172 ASN H H 1 7.008 0.03 . 1 . . . . . 172 N HN . 27428 1 728 . 1 . 1 172 172 ASN CA C 13 50.589 0.2 . 1 . . . . . 172 N CA . 27428 1 729 . 1 . 1 172 172 ASN CB C 13 35.185 0.2 . 1 . . . . . 172 N CB . 27428 1 730 . 1 . 1 172 172 ASN N N 15 120.296 0.2 . 1 . . . . . 172 N N . 27428 1 731 . 1 . 1 173 173 ARG H H 1 7.641 0.03 . 1 . . . . . 173 R HN . 27428 1 732 . 1 . 1 173 173 ARG CA C 13 59.406 0.2 . 1 . . . . . 173 R CA . 27428 1 733 . 1 . 1 173 173 ARG CB C 13 29.258 0.2 . 1 . . . . . 173 R CB . 27428 1 734 . 1 . 1 173 173 ARG N N 15 123.376 0.2 . 1 . . . . . 173 R N . 27428 1 735 . 1 . 1 174 174 GLU H H 1 8.681 0.03 . 1 . . . . . 174 E HN . 27428 1 736 . 1 . 1 174 174 GLU CA C 13 59.680 0.2 . 1 . . . . . 174 E CA . 27428 1 737 . 1 . 1 174 174 GLU CB C 13 27.925 0.2 . 1 . . . . . 174 E CB . 27428 1 738 . 1 . 1 174 174 GLU N N 15 120.827 0.2 . 1 . . . . . 174 E N . 27428 1 739 . 1 . 1 175 175 ALA H H 1 7.089 0.03 . 1 . . . . . 175 A HN . 27428 1 740 . 1 . 1 175 175 ALA CA C 13 53.582 0.2 . 1 . . . . . 175 A CA . 27428 1 741 . 1 . 1 175 175 ALA CB C 13 19.058 0.2 . 1 . . . . . 175 A CB . 27428 1 742 . 1 . 1 175 175 ALA N N 15 121.736 0.2 . 1 . . . . . 175 A N . 27428 1 743 . 1 . 1 176 176 VAL H H 1 8.056 0.03 . 1 . . . . . 176 V HN . 27428 1 744 . 1 . 1 176 176 VAL HG11 H 1 -0.615 0.03 . 2 . . . . . 176 V HG11 . 27428 1 745 . 1 . 1 176 176 VAL HG12 H 1 -0.615 0.03 . 2 . . . . . 176 V HG11 . 27428 1 746 . 1 . 1 176 176 VAL HG13 H 1 -0.615 0.03 . 2 . . . . . 176 V HG11 . 27428 1 747 . 1 . 1 176 176 VAL HG21 H 1 0.271 0.03 . 2 . . . . . 176 V HG21 . 27428 1 748 . 1 . 1 176 176 VAL HG22 H 1 0.271 0.03 . 2 . . . . . 176 V HG21 . 27428 1 749 . 1 . 1 176 176 VAL HG23 H 1 0.271 0.03 . 2 . . . . . 176 V HG21 . 27428 1 750 . 1 . 1 176 176 VAL CA C 13 67.350 0.2 . 1 . . . . . 176 V CA . 27428 1 751 . 1 . 1 176 176 VAL CB C 13 31.242 0.2 . 1 . . . . . 176 V CB . 27428 1 752 . 1 . 1 176 176 VAL CG1 C 13 20.359 0.2 . 2 . . . . . 176 V CG1 . 27428 1 753 . 1 . 1 176 176 VAL CG2 C 13 23.488 0.2 . 2 . . . . . 176 V CG2 . 27428 1 754 . 1 . 1 176 176 VAL N N 15 116.047 0.2 . 1 . . . . . 176 V N . 27428 1 755 . 1 . 1 177 177 THR H H 1 7.846 0.03 . 1 . . . . . 177 T HN . 27428 1 756 . 1 . 1 177 177 THR CA C 13 66.156 0.2 . 1 . . . . . 177 T CA . 27428 1 757 . 1 . 1 177 177 THR CB C 13 67.966 0.2 . 1 . . . . . 177 T CB . 27428 1 758 . 1 . 1 177 177 THR N N 15 112.596 0.2 . 1 . . . . . 177 T N . 27428 1 759 . 1 . 1 178 178 HIS H H 1 7.371 0.03 . 1 . . . . . 178 H HN . 27428 1 760 . 1 . 1 178 178 HIS CA C 13 60.369 0.2 . 1 . . . . . 178 H CA . 27428 1 761 . 1 . 1 178 178 HIS CB C 13 30.894 0.2 . 1 . . . . . 178 H CB . 27428 1 762 . 1 . 1 178 178 HIS N N 15 123.329 0.2 . 1 . . . . . 178 H N . 27428 1 763 . 1 . 1 179 179 ILE H H 1 8.081 0.03 . 1 . . . . . 179 I HN . 27428 1 764 . 1 . 1 179 179 ILE HD11 H 1 0.454 0.03 . 2 . . . . . 179 I HD11 . 27428 1 765 . 1 . 1 179 179 ILE HD12 H 1 0.454 0.03 . 2 . . . . . 179 I HD11 . 27428 1 766 . 1 . 1 179 179 ILE HD13 H 1 0.454 0.03 . 2 . . . . . 179 I HD11 . 27428 1 767 . 1 . 1 179 179 ILE CA C 13 64.143 0.2 . 1 . . . . . 179 I CA . 27428 1 768 . 1 . 1 179 179 ILE CB C 13 37.645 0.2 . 1 . . . . . 179 I CB . 27428 1 769 . 1 . 1 179 179 ILE CD1 C 13 13.984 0.2 . 1 . . . . . 179 I CD1 . 27428 1 770 . 1 . 1 179 179 ILE N N 15 116.805 0.2 . 1 . . . . . 179 I N . 27428 1 771 . 1 . 1 180 180 GLY H H 1 7.505 0.03 . 1 . . . . . 180 G HN . 27428 1 772 . 1 . 1 180 180 GLY CA C 13 45.524 0.2 . 1 . . . . . 180 G CA . 27428 1 773 . 1 . 1 180 180 GLY N N 15 104.628 0.2 . 1 . . . . . 180 G N . 27428 1 774 . 1 . 1 181 181 ARG H H 1 7.531 0.03 . 1 . . . . . 181 R HN . 27428 1 775 . 1 . 1 181 181 ARG CA C 13 59.323 0.2 . 1 . . . . . 181 R CA . 27428 1 776 . 1 . 1 181 181 ARG CB C 13 28.938 0.2 . 1 . . . . . 181 R CB . 27428 1 777 . 1 . 1 181 181 ARG N N 15 120.658 0.2 . 1 . . . . . 181 R N . 27428 1 778 . 1 . 1 182 182 VAL H H 1 7.975 0.03 . 1 . . . . . 182 V HN . 27428 1 779 . 1 . 1 182 182 VAL HG11 H 1 0.500 0.03 . 2 . . . . . 182 V HG11 . 27428 1 780 . 1 . 1 182 182 VAL HG12 H 1 0.500 0.03 . 2 . . . . . 182 V HG11 . 27428 1 781 . 1 . 1 182 182 VAL HG13 H 1 0.500 0.03 . 2 . . . . . 182 V HG11 . 27428 1 782 . 1 . 1 182 182 VAL HG21 H 1 0.498 0.03 . 2 . . . . . 182 V HG21 . 27428 1 783 . 1 . 1 182 182 VAL HG22 H 1 0.498 0.03 . 2 . . . . . 182 V HG21 . 27428 1 784 . 1 . 1 182 182 VAL HG23 H 1 0.498 0.03 . 2 . . . . . 182 V HG21 . 27428 1 785 . 1 . 1 182 182 VAL CA C 13 65.612 0.2 . 1 . . . . . 182 V CA . 27428 1 786 . 1 . 1 182 182 VAL CB C 13 31.204 0.2 . 1 . . . . . 182 V CB . 27428 1 787 . 1 . 1 182 182 VAL CG1 C 13 22.302 0.2 . 2 . . . . . 182 V CG1 . 27428 1 788 . 1 . 1 182 182 VAL CG2 C 13 20.831 0.2 . 2 . . . . . 182 V CG2 . 27428 1 789 . 1 . 1 182 182 VAL N N 15 120.286 0.2 . 1 . . . . . 182 V N . 27428 1 790 . 1 . 1 183 183 TYR H H 1 8.388 0.03 . 1 . . . . . 183 Y HN . 27428 1 791 . 1 . 1 183 183 TYR CA C 13 58.383 0.2 . 1 . . . . . 183 Y CA . 27428 1 792 . 1 . 1 183 183 TYR CB C 13 37.776 0.2 . 1 . . . . . 183 Y CB . 27428 1 793 . 1 . 1 183 183 TYR N N 15 121.078 0.2 . 1 . . . . . 183 Y N . 27428 1 794 . 1 . 1 184 184 LYS H H 1 7.839 0.03 . 1 . . . . . 184 K HN . 27428 1 795 . 1 . 1 184 184 LYS CA C 13 59.746 0.2 . 1 . . . . . 184 K CA . 27428 1 796 . 1 . 1 184 184 LYS CB C 13 31.634 0.2 . 1 . . . . . 184 K CB . 27428 1 797 . 1 . 1 184 184 LYS N N 15 116.790 0.2 . 1 . . . . . 184 K N . 27428 1 798 . 1 . 1 185 185 GLU H H 1 7.376 0.03 . 1 . . . . . 185 E HN . 27428 1 799 . 1 . 1 185 185 GLU CA C 13 58.383 0.2 . 1 . . . . . 185 E CA . 27428 1 800 . 1 . 1 185 185 GLU CB C 13 28.523 0.2 . 1 . . . . . 185 E CB . 27428 1 801 . 1 . 1 185 185 GLU N N 15 117.685 0.2 . 1 . . . . . 185 E N . 27428 1 802 . 1 . 1 186 186 ARG H H 1 8.502 0.03 . 1 . . . . . 186 R HN . 27428 1 803 . 1 . 1 186 186 ARG CA C 13 57.045 0.2 . 1 . . . . . 186 R CA . 27428 1 804 . 1 . 1 186 186 ARG CB C 13 27.715 0.2 . 1 . . . . . 186 R CB . 27428 1 805 . 1 . 1 186 186 ARG N N 15 121.734 0.2 . 1 . . . . . 186 R N . 27428 1 806 . 1 . 1 187 187 LEU H H 1 7.553 0.03 . 1 . . . . . 187 L HN . 27428 1 807 . 1 . 1 187 187 LEU HD11 H 1 0.174 0.03 . 2 . . . . . 187 L HD11 . 27428 1 808 . 1 . 1 187 187 LEU HD12 H 1 0.174 0.03 . 2 . . . . . 187 L HD11 . 27428 1 809 . 1 . 1 187 187 LEU HD13 H 1 0.174 0.03 . 2 . . . . . 187 L HD11 . 27428 1 810 . 1 . 1 187 187 LEU HD21 H 1 -0.183 0.03 . 2 . . . . . 187 L HD21 . 27428 1 811 . 1 . 1 187 187 LEU HD22 H 1 -0.183 0.03 . 2 . . . . . 187 L HD21 . 27428 1 812 . 1 . 1 187 187 LEU HD23 H 1 -0.183 0.03 . 2 . . . . . 187 L HD21 . 27428 1 813 . 1 . 1 187 187 LEU CA C 13 55.630 0.2 . 1 . . . . . 187 L CA . 27428 1 814 . 1 . 1 187 187 LEU CB C 13 40.875 0.2 . 1 . . . . . 187 L CB . 27428 1 815 . 1 . 1 187 187 LEU CD1 C 13 21.729 0.2 . 2 . . . . . 187 L CD1 . 27428 1 816 . 1 . 1 187 187 LEU CD2 C 13 23.990 0.2 . 2 . . . . . 187 L CD2 . 27428 1 817 . 1 . 1 187 187 LEU N N 15 116.891 0.2 . 1 . . . . . 187 L N . 27428 1 818 . 1 . 1 188 188 GLY H H 1 7.421 0.03 . 1 . . . . . 188 G HN . 27428 1 819 . 1 . 1 188 188 GLY CA C 13 45.484 0.2 . 1 . . . . . 188 G CA . 27428 1 820 . 1 . 1 188 188 GLY N N 15 107.197 0.2 . 1 . . . . . 188 G N . 27428 1 821 . 1 . 1 189 189 LEU H H 1 6.881 0.03 . 1 . . . . . 189 L HN . 27428 1 822 . 1 . 1 189 189 LEU HD11 H 1 0.394 0.03 . 2 . . . . . 189 L HD11 . 27428 1 823 . 1 . 1 189 189 LEU HD12 H 1 0.394 0.03 . 2 . . . . . 189 L HD11 . 27428 1 824 . 1 . 1 189 189 LEU HD13 H 1 0.394 0.03 . 2 . . . . . 189 L HD11 . 27428 1 825 . 1 . 1 189 189 LEU HD21 H 1 0.408 0.03 . 2 . . . . . 189 L HD21 . 27428 1 826 . 1 . 1 189 189 LEU HD22 H 1 0.408 0.03 . 2 . . . . . 189 L HD21 . 27428 1 827 . 1 . 1 189 189 LEU HD23 H 1 0.408 0.03 . 2 . . . . . 189 L HD21 . 27428 1 828 . 1 . 1 189 189 LEU CA C 13 52.486 0.2 . 1 . . . . . 189 L CA . 27428 1 829 . 1 . 1 189 189 LEU CB C 13 39.773 0.2 . 1 . . . . . 189 L CB . 27428 1 830 . 1 . 1 189 189 LEU CD1 C 13 25.366 0.2 . 2 . . . . . 189 L CD1 . 27428 1 831 . 1 . 1 189 189 LEU CD2 C 13 22.596 0.2 . 2 . . . . . 189 L CD2 . 27428 1 832 . 1 . 1 189 189 LEU N N 15 118.978 0.2 . 1 . . . . . 189 L N . 27428 1 833 . 1 . 1 191 191 PRO CA C 13 64.745 0.2 . 1 . . . . . 191 P CA . 27428 1 834 . 1 . 1 191 191 PRO CB C 13 31.017 0.2 . 1 . . . . . 191 P CB . 27428 1 835 . 1 . 1 192 192 LYS H H 1 7.667 0.03 . 1 . . . . . 192 K HN . 27428 1 836 . 1 . 1 192 192 LYS CA C 13 56.661 0.2 . 1 . . . . . 192 K CA . 27428 1 837 . 1 . 1 192 192 LYS CB C 13 30.956 0.2 . 1 . . . . . 192 K CB . 27428 1 838 . 1 . 1 192 192 LYS N N 15 112.323 0.2 . 1 . . . . . 192 K N . 27428 1 839 . 1 . 1 193 193 ILE H H 1 7.468 0.03 . 1 . . . . . 193 I HN . 27428 1 840 . 1 . 1 193 193 ILE HD11 H 1 0.638 0.03 . 2 . . . . . 193 I HD11 . 27428 1 841 . 1 . 1 193 193 ILE HD12 H 1 0.638 0.03 . 2 . . . . . 193 I HD11 . 27428 1 842 . 1 . 1 193 193 ILE HD13 H 1 0.638 0.03 . 2 . . . . . 193 I HD11 . 27428 1 843 . 1 . 1 193 193 ILE CA C 13 59.451 0.2 . 1 . . . . . 193 I CA . 27428 1 844 . 1 . 1 193 193 ILE CB C 13 35.464 0.2 . 1 . . . . . 193 I CB . 27428 1 845 . 1 . 1 193 193 ILE CD1 C 13 10.909 0.2 . 1 . . . . . 193 I CD1 . 27428 1 846 . 1 . 1 193 193 ILE N N 15 122.546 0.2 . 1 . . . . . 193 I N . 27428 1 847 . 1 . 1 194 194 VAL H H 1 7.951 0.03 . 1 . . . . . 194 V HN . 27428 1 848 . 1 . 1 194 194 VAL HG11 H 1 0.669 0.03 . 2 . . . . . 194 V HG11 . 27428 1 849 . 1 . 1 194 194 VAL HG12 H 1 0.669 0.03 . 2 . . . . . 194 V HG11 . 27428 1 850 . 1 . 1 194 194 VAL HG13 H 1 0.669 0.03 . 2 . . . . . 194 V HG11 . 27428 1 851 . 1 . 1 194 194 VAL CA C 13 60.839 0.2 . 1 . . . . . 194 V CA . 27428 1 852 . 1 . 1 194 194 VAL CB C 13 32.402 0.2 . 1 . . . . . 194 V CB . 27428 1 853 . 1 . 1 194 194 VAL CG1 C 13 21.046 0.2 . 2 . . . . . 194 V CG1 . 27428 1 854 . 1 . 1 194 194 VAL N N 15 126.461 0.2 . 1 . . . . . 194 V N . 27428 1 855 . 1 . 1 195 195 ILE H H 1 8.837 0.03 . 1 . . . . . 195 I HN . 27428 1 856 . 1 . 1 195 195 ILE HD11 H 1 0.289 0.03 . 2 . . . . . 195 I HD11 . 27428 1 857 . 1 . 1 195 195 ILE HD12 H 1 0.289 0.03 . 2 . . . . . 195 I HD11 . 27428 1 858 . 1 . 1 195 195 ILE HD13 H 1 0.289 0.03 . 2 . . . . . 195 I HD11 . 27428 1 859 . 1 . 1 195 195 ILE CA C 13 59.569 0.2 . 1 . . . . . 195 I CA . 27428 1 860 . 1 . 1 195 195 ILE CB C 13 39.024 0.2 . 1 . . . . . 195 I CB . 27428 1 861 . 1 . 1 195 195 ILE CD1 C 13 12.982 0.2 . 1 . . . . . 195 I CD1 . 27428 1 862 . 1 . 1 195 195 ILE N N 15 123.346 0.2 . 1 . . . . . 195 I N . 27428 1 863 . 1 . 1 196 196 GLY H H 1 8.132 0.03 . 1 . . . . . 196 G HN . 27428 1 864 . 1 . 1 196 196 GLY CA C 13 43.855 0.2 . 1 . . . . . 196 G CA . 27428 1 865 . 1 . 1 196 196 GLY N N 15 108.780 0.2 . 1 . . . . . 196 G N . 27428 1 866 . 1 . 1 197 197 TYR H H 1 8.047 0.03 . 1 . . . . . 197 Y HN . 27428 1 867 . 1 . 1 197 197 TYR CA C 13 54.451 0.2 . 1 . . . . . 197 Y CA . 27428 1 868 . 1 . 1 197 197 TYR CB C 13 38.513 0.2 . 1 . . . . . 197 Y CB . 27428 1 869 . 1 . 1 197 197 TYR N N 15 124.281 0.2 . 1 . . . . . 197 Y N . 27428 1 870 . 1 . 1 198 198 GLN H H 1 7.750 0.03 . 1 . . . . . 198 Q HN . 27428 1 871 . 1 . 1 198 198 GLN CA C 13 52.374 0.2 . 1 . . . . . 198 Q CA . 27428 1 872 . 1 . 1 198 198 GLN CB C 13 30.481 0.2 . 1 . . . . . 198 Q CB . 27428 1 873 . 1 . 1 198 198 GLN N N 15 125.723 0.2 . 1 . . . . . 198 Q N . 27428 1 874 . 1 . 1 199 199 SER H H 1 8.965 0.03 . 1 . . . . . 199 S HN . 27428 1 875 . 1 . 1 199 199 SER CA C 13 56.493 0.2 . 1 . . . . . 199 S CA . 27428 1 876 . 1 . 1 199 199 SER CB C 13 64.014 0.2 . 1 . . . . . 199 S CB . 27428 1 877 . 1 . 1 199 199 SER N N 15 119.152 0.2 . 1 . . . . . 199 S N . 27428 1 878 . 1 . 1 200 200 HIS H H 1 8.127 0.03 . 1 . . . . . 200 H HN . 27428 1 879 . 1 . 1 200 200 HIS CA C 13 57.261 0.2 . 1 . . . . . 200 H CA . 27428 1 880 . 1 . 1 200 200 HIS CB C 13 28.687 0.2 . 1 . . . . . 200 H CB . 27428 1 881 . 1 . 1 200 200 HIS N N 15 126.834 0.2 . 1 . . . . . 200 H N . 27428 1 882 . 1 . 1 201 201 ALA H H 1 7.877 0.03 . 1 . . . . . 201 A HN . 27428 1 883 . 1 . 1 201 201 ALA CA C 13 53.998 0.2 . 1 . . . . . 201 A CA . 27428 1 884 . 1 . 1 201 201 ALA CB C 13 17.010 0.2 . 1 . . . . . 201 A CB . 27428 1 885 . 1 . 1 201 201 ALA N N 15 121.825 0.2 . 1 . . . . . 201 A N . 27428 1 886 . 1 . 1 202 202 ASP H H 1 7.094 0.03 . 1 . . . . . 202 D HN . 27428 1 887 . 1 . 1 202 202 ASP CA C 13 55.642 0.2 . 1 . . . . . 202 D CA . 27428 1 888 . 1 . 1 202 202 ASP CB C 13 39.183 0.2 . 1 . . . . . 202 D CB . 27428 1 889 . 1 . 1 202 202 ASP N N 15 117.825 0.2 . 1 . . . . . 202 D N . 27428 1 890 . 1 . 1 203 203 THR H H 1 7.504 0.03 . 1 . . . . . 203 T HN . 27428 1 891 . 1 . 1 203 203 THR CA C 13 64.484 0.2 . 1 . . . . . 203 T CA . 27428 1 892 . 1 . 1 203 203 THR CB C 13 67.614 0.2 . 1 . . . . . 203 T CB . 27428 1 893 . 1 . 1 203 203 THR N N 15 117.825 0.2 . 1 . . . . . 203 T N . 27428 1 894 . 1 . 1 204 204 ALA H H 1 7.351 0.03 . 1 . . . . . 204 A HN . 27428 1 895 . 1 . 1 204 204 ALA CA C 13 53.035 0.2 . 1 . . . . . 204 A CA . 27428 1 896 . 1 . 1 204 204 ALA CB C 13 17.602 0.2 . 1 . . . . . 204 A CB . 27428 1 897 . 1 . 1 204 204 ALA N N 15 121.999 0.2 . 1 . . . . . 204 A N . 27428 1 898 . 1 . 1 205 205 THR H H 1 7.002 0.03 . 1 . . . . . 205 T HN . 27428 1 899 . 1 . 1 205 205 THR CA C 13 61.446 0.2 . 1 . . . . . 205 T CA . 27428 1 900 . 1 . 1 205 205 THR CB C 13 69.122 0.2 . 1 . . . . . 205 T CB . 27428 1 901 . 1 . 1 205 205 THR N N 15 109.659 0.2 . 1 . . . . . 205 T N . 27428 1 902 . 1 . 1 206 206 LYS H H 1 7.618 0.03 . 1 . . . . . 206 K HN . 27428 1 903 . 1 . 1 206 206 LYS CA C 13 55.998 0.2 . 1 . . . . . 206 K CA . 27428 1 904 . 1 . 1 206 206 LYS CB C 13 30.881 0.2 . 1 . . . . . 206 K CB . 27428 1 905 . 1 . 1 206 206 LYS N N 15 122.921 0.2 . 1 . . . . . 206 K N . 27428 1 906 . 1 . 1 207 207 SER CB C 13 62.897 0.2 . 1 . . . . . 207 S CB . 27428 1 907 . 1 . 1 208 208 GLY H H 1 8.271 0.03 . 1 . . . . . 208 G HN . 27428 1 908 . 1 . 1 208 208 GLY CA C 13 45.006 0.2 . 1 . . . . . 208 G CA . 27428 1 909 . 1 . 1 208 208 GLY N N 15 111.929 0.2 . 1 . . . . . 208 G N . 27428 1 910 . 1 . 1 209 209 SER CA C 13 58.264 0.2 . 1 . . . . . 209 S CA . 27428 1 911 . 1 . 1 209 209 SER CB C 13 63.269 0.2 . 1 . . . . . 209 S CB . 27428 1 912 . 1 . 1 210 210 THR H H 1 7.894 0.03 . 1 . . . . . 210 T HN . 27428 1 913 . 1 . 1 210 210 THR CA C 13 61.324 0.2 . 1 . . . . . 210 T CA . 27428 1 914 . 1 . 1 210 210 THR CB C 13 69.059 0.2 . 1 . . . . . 210 T CB . 27428 1 915 . 1 . 1 210 210 THR N N 15 115.569 0.2 . 1 . . . . . 210 T N . 27428 1 916 . 1 . 1 211 211 THR H H 1 7.943 0.03 . 1 . . . . . 211 T HN . 27428 1 917 . 1 . 1 211 211 THR CA C 13 61.977 0.2 . 1 . . . . . 211 T CA . 27428 1 918 . 1 . 1 211 211 THR CB C 13 68.859 0.2 . 1 . . . . . 211 T CB . 27428 1 919 . 1 . 1 211 211 THR N N 15 119.711 0.2 . 1 . . . . . 211 T N . 27428 1 920 . 1 . 1 212 212 LYS H H 1 8.216 0.03 . 1 . . . . . 212 K HN . 27428 1 921 . 1 . 1 212 212 LYS CA C 13 55.340 0.2 . 1 . . . . . 212 K CA . 27428 1 922 . 1 . 1 212 212 LYS CB C 13 32.040 0.2 . 1 . . . . . 212 K CB . 27428 1 923 . 1 . 1 212 212 LYS N N 15 125.952 0.2 . 1 . . . . . 212 K N . 27428 1 924 . 1 . 1 213 213 ASN H H 1 8.310 0.03 . 1 . . . . . 213 N HN . 27428 1 925 . 1 . 1 213 213 ASN CA C 13 52.288 0.2 . 1 . . . . . 213 N CA . 27428 1 926 . 1 . 1 213 213 ASN CB C 13 38.304 0.2 . 1 . . . . . 213 N CB . 27428 1 927 . 1 . 1 213 213 ASN N N 15 120.616 0.2 . 1 . . . . . 213 N N . 27428 1 928 . 1 . 1 214 214 ARG H H 1 8.932 0.03 . 1 . . . . . 214 R HN . 27428 1 929 . 1 . 1 214 214 ARG CA C 13 56.423 0.2 . 1 . . . . . 214 R CA . 27428 1 930 . 1 . 1 214 214 ARG CB C 13 30.022 0.2 . 1 . . . . . 214 R CB . 27428 1 931 . 1 . 1 214 214 ARG N N 15 123.869 0.2 . 1 . . . . . 214 R N . 27428 1 932 . 1 . 1 215 215 PHE H H 1 7.201 0.03 . 1 . . . . . 215 F HN . 27428 1 933 . 1 . 1 215 215 PHE CA C 13 54.991 0.2 . 1 . . . . . 215 F CA . 27428 1 934 . 1 . 1 215 215 PHE CB C 13 42.046 0.2 . 1 . . . . . 215 F CB . 27428 1 935 . 1 . 1 215 215 PHE N N 15 113.270 0.2 . 1 . . . . . 215 F N . 27428 1 936 . 1 . 1 216 216 VAL H H 1 8.304 0.03 . 1 . . . . . 216 V HN . 27428 1 937 . 1 . 1 216 216 VAL HG11 H 1 0.756 0.03 . 2 . . . . . 216 V HG11 . 27428 1 938 . 1 . 1 216 216 VAL HG12 H 1 0.756 0.03 . 2 . . . . . 216 V HG11 . 27428 1 939 . 1 . 1 216 216 VAL HG13 H 1 0.756 0.03 . 2 . . . . . 216 V HG11 . 27428 1 940 . 1 . 1 216 216 VAL HG21 H 1 0.664 0.03 . 2 . . . . . 216 V HG21 . 27428 1 941 . 1 . 1 216 216 VAL HG22 H 1 0.664 0.03 . 2 . . . . . 216 V HG21 . 27428 1 942 . 1 . 1 216 216 VAL HG23 H 1 0.664 0.03 . 2 . . . . . 216 V HG21 . 27428 1 943 . 1 . 1 216 216 VAL CA C 13 60.059 0.2 . 1 . . . . . 216 V CA . 27428 1 944 . 1 . 1 216 216 VAL CB C 13 35.190 0.2 . 1 . . . . . 216 V CB . 27428 1 945 . 1 . 1 216 216 VAL CG1 C 13 21.866 0.2 . 2 . . . . . 216 V CG1 . 27428 1 946 . 1 . 1 216 216 VAL CG2 C 13 18.629 0.2 . 2 . . . . . 216 V CG2 . 27428 1 947 . 1 . 1 216 216 VAL N N 15 116.386 0.2 . 1 . . . . . 216 V N . 27428 1 948 . 1 . 1 217 217 VAL H H 1 8.440 0.03 . 1 . . . . . 217 V HN . 27428 1 949 . 1 . 1 217 217 VAL HG11 H 1 0.432 0.03 . 2 . . . . . 217 V HG11 . 27428 1 950 . 1 . 1 217 217 VAL HG12 H 1 0.432 0.03 . 2 . . . . . 217 V HG11 . 27428 1 951 . 1 . 1 217 217 VAL HG13 H 1 0.432 0.03 . 2 . . . . . 217 V HG11 . 27428 1 952 . 1 . 1 217 217 VAL HG21 H 1 0.265 0.03 . 2 . . . . . 217 V HG21 . 27428 1 953 . 1 . 1 217 217 VAL HG22 H 1 0.265 0.03 . 2 . . . . . 217 V HG21 . 27428 1 954 . 1 . 1 217 217 VAL HG23 H 1 0.265 0.03 . 2 . . . . . 217 V HG21 . 27428 1 955 . 1 . 1 217 217 VAL CA C 13 62.873 0.2 . 1 . . . . . 217 V CA . 27428 1 956 . 1 . 1 217 217 VAL CB C 13 33.994 0.2 . 1 . . . . . 217 V CB . 27428 1 957 . 1 . 1 217 217 VAL CG1 C 13 21.632 0.2 . 2 . . . . . 217 V CG1 . 27428 1 958 . 1 . 1 217 217 VAL CG2 C 13 19.917 0.2 . 2 . . . . . 217 V CG2 . 27428 1 959 . 1 . 1 217 217 VAL N N 15 125.023 0.2 . 1 . . . . . 217 V N . 27428 1 stop_ save_