data_27427 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27427 _Entry.Title ; Methyl assignment of human eukaryotic translation initiation factor 4E (eIF4E) in its apo form ; _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 . . . . 27427 2 Michael Osborne . J. . . 27427 3 Katherine Borden . L.B. . . 27427 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27427 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 171 27427 '15N chemical shifts' 207 27427 '1H chemical shifts' 411 27427 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 . 27427 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27428 'Methyl assignment of cap-bound form of human eukaryotic translation initiation factor 4E (eIF4E)' 27427 BMRB 7115 '1H, 13C and 15N resonance assignments of the apo-form of human eIF4E' 27427 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 27427 _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. . . 27427 1 2 Laurent Volpon L. . . . 27427 1 3 Mina Memarpoor-Yazdi M. . . . 27427 1 4 Shubhadra Pillay S. . . . 27427 1 5 Aksharh Thambipillai A. . . . 27427 1 6 Sylwia Czarnota S. . . . 27427 1 7 Biljana Culjkovic-Kraljacic B. . . . 27427 1 8 Christian Trahan C. . . . 27427 1 9 Marlene Oeffinger M. . . . 27427 1 10 Victoria Cowling V. H. . . 27427 1 11 Katherine Borden . . . . 27427 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'allosteric effect' 27427 1 cancer 27427 1 eIF4E 27427 1 'post-transcriptional regulation' 27427 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27427 _Assembly.ID 1 _Assembly.Name 'monomer eIF4E' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 25097.25 _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 'monomer eIF4E' 1 $eIF4E A . yes native no no . . . 27427 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 2GPQ . . 'solution NMR' . . . 27427 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_eIF4E _Entity.Sf_category entity _Entity.Sf_framecode eIF4E _Entity.Entry_ID 27427 _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 25097.25 _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 'translation initiation factor' 27427 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 . 27427 1 2 . ALA . 27427 1 3 . THR . 27427 1 4 . VAL . 27427 1 5 . GLU . 27427 1 6 . PRO . 27427 1 7 . GLU . 27427 1 8 . THR . 27427 1 9 . THR . 27427 1 10 . PRO . 27427 1 11 . THR . 27427 1 12 . PRO . 27427 1 13 . ASN . 27427 1 14 . PRO . 27427 1 15 . PRO . 27427 1 16 . THR . 27427 1 17 . THR . 27427 1 18 . GLU . 27427 1 19 . GLU . 27427 1 20 . GLU . 27427 1 21 . LYS . 27427 1 22 . THR . 27427 1 23 . GLU . 27427 1 24 . SER . 27427 1 25 . ASN . 27427 1 26 . GLN . 27427 1 27 . GLU . 27427 1 28 . VAL . 27427 1 29 . ALA . 27427 1 30 . ASN . 27427 1 31 . PRO . 27427 1 32 . GLU . 27427 1 33 . HIS . 27427 1 34 . TYR . 27427 1 35 . ILE . 27427 1 36 . LYS . 27427 1 37 . HIS . 27427 1 38 . PRO . 27427 1 39 . LEU . 27427 1 40 . GLN . 27427 1 41 . ASN . 27427 1 42 . ARG . 27427 1 43 . TRP . 27427 1 44 . ALA . 27427 1 45 . LEU . 27427 1 46 . TRP . 27427 1 47 . PHE . 27427 1 48 . PHE . 27427 1 49 . LYS . 27427 1 50 . ASN . 27427 1 51 . ASP . 27427 1 52 . LYS . 27427 1 53 . SER . 27427 1 54 . LYS . 27427 1 55 . THR . 27427 1 56 . TRP . 27427 1 57 . GLN . 27427 1 58 . ALA . 27427 1 59 . ASN . 27427 1 60 . LEU . 27427 1 61 . ARG . 27427 1 62 . LEU . 27427 1 63 . ILE . 27427 1 64 . SER . 27427 1 65 . LYS . 27427 1 66 . PHE . 27427 1 67 . ASP . 27427 1 68 . THR . 27427 1 69 . VAL . 27427 1 70 . GLU . 27427 1 71 . ASP . 27427 1 72 . PHE . 27427 1 73 . TRP . 27427 1 74 . ALA . 27427 1 75 . LEU . 27427 1 76 . TYR . 27427 1 77 . ASN . 27427 1 78 . HIS . 27427 1 79 . ILE . 27427 1 80 . GLN . 27427 1 81 . LEU . 27427 1 82 . SER . 27427 1 83 . SER . 27427 1 84 . ASN . 27427 1 85 . LEU . 27427 1 86 . MET . 27427 1 87 . PRO . 27427 1 88 . GLY . 27427 1 89 . CYS . 27427 1 90 . ASP . 27427 1 91 . TYR . 27427 1 92 . SER . 27427 1 93 . LEU . 27427 1 94 . PHE . 27427 1 95 . LYS . 27427 1 96 . ASP . 27427 1 97 . GLY . 27427 1 98 . ILE . 27427 1 99 . GLU . 27427 1 100 . PRO . 27427 1 101 . MET . 27427 1 102 . TRP . 27427 1 103 . GLU . 27427 1 104 . ASP . 27427 1 105 . GLU . 27427 1 106 . LYS . 27427 1 107 . ASN . 27427 1 108 . LYS . 27427 1 109 . ARG . 27427 1 110 . GLY . 27427 1 111 . GLY . 27427 1 112 . ARG . 27427 1 113 . TRP . 27427 1 114 . LEU . 27427 1 115 . ILE . 27427 1 116 . THR . 27427 1 117 . LEU . 27427 1 118 . ASN . 27427 1 119 . LYS . 27427 1 120 . GLN . 27427 1 121 . GLN . 27427 1 122 . ARG . 27427 1 123 . ARG . 27427 1 124 . SER . 27427 1 125 . ASP . 27427 1 126 . LEU . 27427 1 127 . ASP . 27427 1 128 . ARG . 27427 1 129 . PHE . 27427 1 130 . TRP . 27427 1 131 . LEU . 27427 1 132 . GLU . 27427 1 133 . THR . 27427 1 134 . LEU . 27427 1 135 . LEU . 27427 1 136 . CYS . 27427 1 137 . LEU . 27427 1 138 . ILE . 27427 1 139 . GLY . 27427 1 140 . GLU . 27427 1 141 . SER . 27427 1 142 . PHE . 27427 1 143 . ASP . 27427 1 144 . ASP . 27427 1 145 . TYR . 27427 1 146 . SER . 27427 1 147 . ASP . 27427 1 148 . ASP . 27427 1 149 . VAL . 27427 1 150 . CYS . 27427 1 151 . GLY . 27427 1 152 . ALA . 27427 1 153 . VAL . 27427 1 154 . VAL . 27427 1 155 . ASN . 27427 1 156 . VAL . 27427 1 157 . ARG . 27427 1 158 . ALA . 27427 1 159 . LYS . 27427 1 160 . GLY . 27427 1 161 . ASP . 27427 1 162 . LYS . 27427 1 163 . ILE . 27427 1 164 . ALA . 27427 1 165 . ILE . 27427 1 166 . TRP . 27427 1 167 . THR . 27427 1 168 . THR . 27427 1 169 . GLU . 27427 1 170 . CYS . 27427 1 171 . GLU . 27427 1 172 . ASN . 27427 1 173 . ARG . 27427 1 174 . GLU . 27427 1 175 . ALA . 27427 1 176 . VAL . 27427 1 177 . THR . 27427 1 178 . HIS . 27427 1 179 . ILE . 27427 1 180 . GLY . 27427 1 181 . ARG . 27427 1 182 . VAL . 27427 1 183 . TYR . 27427 1 184 . LYS . 27427 1 185 . GLU . 27427 1 186 . ARG . 27427 1 187 . LEU . 27427 1 188 . GLY . 27427 1 189 . LEU . 27427 1 190 . PRO . 27427 1 191 . PRO . 27427 1 192 . LYS . 27427 1 193 . ILE . 27427 1 194 . VAL . 27427 1 195 . ILE . 27427 1 196 . GLY . 27427 1 197 . TYR . 27427 1 198 . GLN . 27427 1 199 . SER . 27427 1 200 . HIS . 27427 1 201 . ALA . 27427 1 202 . ASP . 27427 1 203 . THR . 27427 1 204 . ALA . 27427 1 205 . THR . 27427 1 206 . LYS . 27427 1 207 . SER . 27427 1 208 . GLY . 27427 1 209 . SER . 27427 1 210 . THR . 27427 1 211 . THR . 27427 1 212 . LYS . 27427 1 213 . ASN . 27427 1 214 . ARG . 27427 1 215 . PHE . 27427 1 216 . VAL . 27427 1 217 . VAL . 27427 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 27427 1 . ALA 2 2 27427 1 . THR 3 3 27427 1 . VAL 4 4 27427 1 . GLU 5 5 27427 1 . PRO 6 6 27427 1 . GLU 7 7 27427 1 . THR 8 8 27427 1 . THR 9 9 27427 1 . PRO 10 10 27427 1 . THR 11 11 27427 1 . PRO 12 12 27427 1 . ASN 13 13 27427 1 . PRO 14 14 27427 1 . PRO 15 15 27427 1 . THR 16 16 27427 1 . THR 17 17 27427 1 . GLU 18 18 27427 1 . GLU 19 19 27427 1 . GLU 20 20 27427 1 . LYS 21 21 27427 1 . THR 22 22 27427 1 . GLU 23 23 27427 1 . SER 24 24 27427 1 . ASN 25 25 27427 1 . GLN 26 26 27427 1 . GLU 27 27 27427 1 . VAL 28 28 27427 1 . ALA 29 29 27427 1 . ASN 30 30 27427 1 . PRO 31 31 27427 1 . GLU 32 32 27427 1 . HIS 33 33 27427 1 . TYR 34 34 27427 1 . ILE 35 35 27427 1 . LYS 36 36 27427 1 . HIS 37 37 27427 1 . PRO 38 38 27427 1 . LEU 39 39 27427 1 . GLN 40 40 27427 1 . ASN 41 41 27427 1 . ARG 42 42 27427 1 . TRP 43 43 27427 1 . ALA 44 44 27427 1 . LEU 45 45 27427 1 . TRP 46 46 27427 1 . PHE 47 47 27427 1 . PHE 48 48 27427 1 . LYS 49 49 27427 1 . ASN 50 50 27427 1 . ASP 51 51 27427 1 . LYS 52 52 27427 1 . SER 53 53 27427 1 . LYS 54 54 27427 1 . THR 55 55 27427 1 . TRP 56 56 27427 1 . GLN 57 57 27427 1 . ALA 58 58 27427 1 . ASN 59 59 27427 1 . LEU 60 60 27427 1 . ARG 61 61 27427 1 . LEU 62 62 27427 1 . ILE 63 63 27427 1 . SER 64 64 27427 1 . LYS 65 65 27427 1 . PHE 66 66 27427 1 . ASP 67 67 27427 1 . THR 68 68 27427 1 . VAL 69 69 27427 1 . GLU 70 70 27427 1 . ASP 71 71 27427 1 . PHE 72 72 27427 1 . TRP 73 73 27427 1 . ALA 74 74 27427 1 . LEU 75 75 27427 1 . TYR 76 76 27427 1 . ASN 77 77 27427 1 . HIS 78 78 27427 1 . ILE 79 79 27427 1 . GLN 80 80 27427 1 . LEU 81 81 27427 1 . SER 82 82 27427 1 . SER 83 83 27427 1 . ASN 84 84 27427 1 . LEU 85 85 27427 1 . MET 86 86 27427 1 . PRO 87 87 27427 1 . GLY 88 88 27427 1 . CYS 89 89 27427 1 . ASP 90 90 27427 1 . TYR 91 91 27427 1 . SER 92 92 27427 1 . LEU 93 93 27427 1 . PHE 94 94 27427 1 . LYS 95 95 27427 1 . ASP 96 96 27427 1 . GLY 97 97 27427 1 . ILE 98 98 27427 1 . GLU 99 99 27427 1 . PRO 100 100 27427 1 . MET 101 101 27427 1 . TRP 102 102 27427 1 . GLU 103 103 27427 1 . ASP 104 104 27427 1 . GLU 105 105 27427 1 . LYS 106 106 27427 1 . ASN 107 107 27427 1 . LYS 108 108 27427 1 . ARG 109 109 27427 1 . GLY 110 110 27427 1 . GLY 111 111 27427 1 . ARG 112 112 27427 1 . TRP 113 113 27427 1 . LEU 114 114 27427 1 . ILE 115 115 27427 1 . THR 116 116 27427 1 . LEU 117 117 27427 1 . ASN 118 118 27427 1 . LYS 119 119 27427 1 . GLN 120 120 27427 1 . GLN 121 121 27427 1 . ARG 122 122 27427 1 . ARG 123 123 27427 1 . SER 124 124 27427 1 . ASP 125 125 27427 1 . LEU 126 126 27427 1 . ASP 127 127 27427 1 . ARG 128 128 27427 1 . PHE 129 129 27427 1 . TRP 130 130 27427 1 . LEU 131 131 27427 1 . GLU 132 132 27427 1 . THR 133 133 27427 1 . LEU 134 134 27427 1 . LEU 135 135 27427 1 . CYS 136 136 27427 1 . LEU 137 137 27427 1 . ILE 138 138 27427 1 . GLY 139 139 27427 1 . GLU 140 140 27427 1 . SER 141 141 27427 1 . PHE 142 142 27427 1 . ASP 143 143 27427 1 . ASP 144 144 27427 1 . TYR 145 145 27427 1 . SER 146 146 27427 1 . ASP 147 147 27427 1 . ASP 148 148 27427 1 . VAL 149 149 27427 1 . CYS 150 150 27427 1 . GLY 151 151 27427 1 . ALA 152 152 27427 1 . VAL 153 153 27427 1 . VAL 154 154 27427 1 . ASN 155 155 27427 1 . VAL 156 156 27427 1 . ARG 157 157 27427 1 . ALA 158 158 27427 1 . LYS 159 159 27427 1 . GLY 160 160 27427 1 . ASP 161 161 27427 1 . LYS 162 162 27427 1 . ILE 163 163 27427 1 . ALA 164 164 27427 1 . ILE 165 165 27427 1 . TRP 166 166 27427 1 . THR 167 167 27427 1 . THR 168 168 27427 1 . GLU 169 169 27427 1 . CYS 170 170 27427 1 . GLU 171 171 27427 1 . ASN 172 172 27427 1 . ARG 173 173 27427 1 . GLU 174 174 27427 1 . ALA 175 175 27427 1 . VAL 176 176 27427 1 . THR 177 177 27427 1 . HIS 178 178 27427 1 . ILE 179 179 27427 1 . GLY 180 180 27427 1 . ARG 181 181 27427 1 . VAL 182 182 27427 1 . TYR 183 183 27427 1 . LYS 184 184 27427 1 . GLU 185 185 27427 1 . ARG 186 186 27427 1 . LEU 187 187 27427 1 . GLY 188 188 27427 1 . LEU 189 189 27427 1 . PRO 190 190 27427 1 . PRO 191 191 27427 1 . LYS 192 192 27427 1 . ILE 193 193 27427 1 . VAL 194 194 27427 1 . ILE 195 195 27427 1 . GLY 196 196 27427 1 . TYR 197 197 27427 1 . GLN 198 198 27427 1 . SER 199 199 27427 1 . HIS 200 200 27427 1 . ALA 201 201 27427 1 . ASP 202 202 27427 1 . THR 203 203 27427 1 . ALA 204 204 27427 1 . THR 205 205 27427 1 . LYS 206 206 27427 1 . SER 207 207 27427 1 . GLY 208 208 27427 1 . SER 209 209 27427 1 . THR 210 210 27427 1 . THR 211 211 27427 1 . LYS 212 212 27427 1 . ASN 213 213 27427 1 . ARG 214 214 27427 1 . PHE 215 215 27427 1 . VAL 216 216 27427 1 . VAL 217 217 27427 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27427 _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 . . . . . . . . . . . . . 27427 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 27427 _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 . . . 27427 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27427 _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 . . . . 27427 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27427 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27427 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27427 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27427 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27427 _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 . . . . 27427 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27427 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27427 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27427 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27427 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 27427 _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 27427 1 pressure 1 . atm 27427 1 temperature 273 . K 27427 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27427 _Software.ID 1 _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' . . 27427 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27427 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27427 _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' . . 27427 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27427 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27427 _Software.ID 3 _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' . . 27427 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27427 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27427 _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 . . 27427 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27427 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 27427 _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 27427 _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 . . . 27427 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 27427 _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 $(H)C-TOCSY-S-TOCSY-(C)H . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27427 1 2 '2D 1H-13C HSQC aliphatic' no . . 1 $(H)C-TOCSY-S-TOCSY-(C)H . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27427 1 3 (H)C-TOCSY-S-TOCSY-(C)H no . . 1 $(H)C-TOCSY-S-TOCSY-(C)H . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27427 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 27427 _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_ #################### # 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 27427 _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 . . . . . 27427 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . 27427 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 27427 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 27427 _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 2 '2D 1H-13C HSQC aliphatic' . . . 27427 1 3 (H)C-TOCSY-S-TOCSY-(C)H . . . 27427 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 4 4 VAL H H 1 8.149 0.03 . 1 . . . . . 4 V HN . 27427 1 2 . 1 . 1 4 4 VAL HG11 H 1 0.674 0.03 . 2 . . . . . 4 V HG11 . 27427 1 3 . 1 . 1 4 4 VAL HG12 H 1 0.674 0.03 . 2 . . . . . 4 V HG11 . 27427 1 4 . 1 . 1 4 4 VAL HG13 H 1 0.674 0.03 . 2 . . . . . 4 V HG11 . 27427 1 5 . 1 . 1 4 4 VAL HG21 H 1 0.674 0.03 . 2 . . . . . 4 V HG21 . 27427 1 6 . 1 . 1 4 4 VAL HG22 H 1 0.674 0.03 . 2 . . . . . 4 V HG21 . 27427 1 7 . 1 . 1 4 4 VAL HG23 H 1 0.674 0.03 . 2 . . . . . 4 V HG21 . 27427 1 8 . 1 . 1 4 4 VAL CA C 13 61.554 0.2 . 1 . . . . . 4 V CA . 27427 1 9 . 1 . 1 4 4 VAL CB C 13 32.101 0.2 . 1 . . . . . 4 V CB . 27427 1 10 . 1 . 1 4 4 VAL CG1 C 13 20.037 0.2 . 2 . . . . . 4 V CG1 . 27427 1 11 . 1 . 1 4 4 VAL CG2 C 13 20.753 0.2 . 2 . . . . . 4 V CG2 . 27427 1 12 . 1 . 1 4 4 VAL N N 15 123.905 0.2 . 1 . . . . . 4 V N . 27427 1 13 . 1 . 1 5 5 GLU H H 1 8.369 0.03 . 1 . . . . . 5 E HN . 27427 1 14 . 1 . 1 5 5 GLU N N 15 127.226 0.2 . 1 . . . . . 5 E N . 27427 1 15 . 1 . 1 7 7 GLU H H 1 8.405 0.03 . 1 . . . . . 7 E HN . 27427 1 16 . 1 . 1 7 7 GLU N N 15 121.714 0.2 . 1 . . . . . 7 E N . 27427 1 17 . 1 . 1 8 8 THR H H 1 8.085 0.03 . 1 . . . . . 8 T HN . 27427 1 18 . 1 . 1 8 8 THR N N 15 116.165 0.2 . 1 . . . . . 8 T N . 27427 1 19 . 1 . 1 9 9 THR H H 1 8.118 0.03 . 1 . . . . . 9 T HN . 27427 1 20 . 1 . 1 9 9 THR N N 15 120.263 0.2 . 1 . . . . . 9 T N . 27427 1 21 . 1 . 1 11 11 THR H H 1 8.214 0.03 . 1 . . . . . 11 T HN . 27427 1 22 . 1 . 1 11 11 THR N N 15 118.429 0.2 . 1 . . . . . 11 T N . 27427 1 23 . 1 . 1 13 13 ASN H H 1 8.058 0.03 . 1 . . . . . 13 N HN . 27427 1 24 . 1 . 1 13 13 ASN N N 15 119.904 0.2 . 1 . . . . . 13 N N . 27427 1 25 . 1 . 1 16 16 THR H H 1 8.164 0.03 . 1 . . . . . 16 T HN . 27427 1 26 . 1 . 1 16 16 THR N N 15 115.108 0.2 . 1 . . . . . 16 T N . 27427 1 27 . 1 . 1 17 17 THR H H 1 8.052 0.03 . 1 . . . . . 17 T HN . 27427 1 28 . 1 . 1 17 17 THR N N 15 116.585 0.2 . 1 . . . . . 17 T N . 27427 1 29 . 1 . 1 18 18 GLU H H 1 8.321 0.03 . 1 . . . . . 18 E HN . 27427 1 30 . 1 . 1 18 18 GLU N N 15 123.578 0.2 . 1 . . . . . 18 E N . 27427 1 31 . 1 . 1 20 20 GLU H H 1 8.275 0.03 . 1 . . . . . 20 E HN . 27427 1 32 . 1 . 1 20 20 GLU N N 15 122.487 0.2 . 1 . . . . . 20 E N . 27427 1 33 . 1 . 1 21 21 LYS H H 1 8.217 0.03 . 1 . . . . . 21 K HN . 27427 1 34 . 1 . 1 21 21 LYS N N 15 123.664 0.2 . 1 . . . . . 21 K N . 27427 1 35 . 1 . 1 22 22 THR H H 1 8.102 0.03 . 1 . . . . . 22 T HN . 27427 1 36 . 1 . 1 22 22 THR N N 15 116.632 0.2 . 1 . . . . . 22 T N . 27427 1 37 . 1 . 1 23 23 GLU H H 1 8.345 0.03 . 1 . . . . . 23 E HN . 27427 1 38 . 1 . 1 23 23 GLU N N 15 123.874 0.2 . 1 . . . . . 23 E N . 27427 1 39 . 1 . 1 24 24 SER H H 1 8.232 0.03 . 1 . . . . . 24 S HN . 27427 1 40 . 1 . 1 24 24 SER N N 15 117.405 0.2 . 1 . . . . . 24 S N . 27427 1 41 . 1 . 1 25 25 ASN H H 1 8.327 0.03 . 1 . . . . . 25 N HN . 27427 1 42 . 1 . 1 25 25 ASN N N 15 121.417 0.2 . 1 . . . . . 25 N N . 27427 1 43 . 1 . 1 26 26 GLN H H 1 8.179 0.03 . 1 . . . . . 26 Q HN . 27427 1 44 . 1 . 1 26 26 GLN N N 15 121.017 0.2 . 1 . . . . . 26 Q N . 27427 1 45 . 1 . 1 27 27 GLU H H 1 8.236 0.03 . 1 . . . . . 27 E HN . 27427 1 46 . 1 . 1 27 27 GLU N N 15 122.858 0.2 . 1 . . . . . 27 E N . 27427 1 47 . 1 . 1 28 28 VAL H H 1 7.972 0.03 . 1 . . . . . 28 V HN . 27427 1 48 . 1 . 1 28 28 VAL HG11 H 1 0.667 0.03 . 2 . . . . . 28 V HG11 . 27427 1 49 . 1 . 1 28 28 VAL HG12 H 1 0.667 0.03 . 2 . . . . . 28 V HG11 . 27427 1 50 . 1 . 1 28 28 VAL HG13 H 1 0.667 0.03 . 2 . . . . . 28 V HG11 . 27427 1 51 . 1 . 1 28 28 VAL HG21 H 1 0.658 0.03 . 2 . . . . . 28 V HG21 . 27427 1 52 . 1 . 1 28 28 VAL HG22 H 1 0.658 0.03 . 2 . . . . . 28 V HG21 . 27427 1 53 . 1 . 1 28 28 VAL HG23 H 1 0.658 0.03 . 2 . . . . . 28 V HG21 . 27427 1 54 . 1 . 1 28 28 VAL CG1 C 13 20.092 0.2 . 2 . . . . . 28 V CG1 . 27427 1 55 . 1 . 1 28 28 VAL CG2 C 13 20.810 0.2 . 2 . . . . . 28 V CG2 . 27427 1 56 . 1 . 1 28 28 VAL N N 15 121.859 0.2 . 1 . . . . . 28 V N . 27427 1 57 . 1 . 1 29 29 ALA H H 1 8.196 0.03 . 1 . . . . . 29 A HN . 27427 1 58 . 1 . 1 29 29 ALA N N 15 128.271 0.2 . 1 . . . . . 29 A N . 27427 1 59 . 1 . 1 30 30 ASN H H 1 8.250 0.03 . 1 . . . . . 30 N HN . 27427 1 60 . 1 . 1 30 30 ASN N N 15 119.519 0.2 . 1 . . . . . 30 N N . 27427 1 61 . 1 . 1 32 32 GLU H H 1 8.264 0.03 . 1 . . . . . 32 E HN . 27427 1 62 . 1 . 1 32 32 GLU N N 15 119.887 0.2 . 1 . . . . . 32 E N . 27427 1 63 . 1 . 1 33 33 HIS H H 1 7.874 0.03 . 1 . . . . . 33 H HN . 27427 1 64 . 1 . 1 33 33 HIS N N 15 119.604 0.2 . 1 . . . . . 33 H N . 27427 1 65 . 1 . 1 34 34 TYR H H 1 7.743 0.03 . 1 . . . . . 34 Y HN . 27427 1 66 . 1 . 1 34 34 TYR N N 15 121.642 0.2 . 1 . . . . . 34 Y N . 27427 1 67 . 1 . 1 35 35 ILE H H 1 7.701 0.03 . 1 . . . . . 35 I HN . 27427 1 68 . 1 . 1 35 35 ILE HD11 H 1 0.552 0.03 . 2 . . . . . 35 I HD11 . 27427 1 69 . 1 . 1 35 35 ILE HD12 H 1 0.552 0.03 . 2 . . . . . 35 I HD11 . 27427 1 70 . 1 . 1 35 35 ILE HD13 H 1 0.552 0.03 . 2 . . . . . 35 I HD11 . 27427 1 71 . 1 . 1 35 35 ILE CA C 13 60.205 0.2 . 1 . . . . . 35 I CA . 27427 1 72 . 1 . 1 35 35 ILE CB C 13 37.603 0.2 . 1 . . . . . 35 I CB . 27427 1 73 . 1 . 1 35 35 ILE CG1 C 13 26.171 0.2 . 1 . . . . . 35 I CG1 . 27427 1 74 . 1 . 1 35 35 ILE CG2 C 13 16.186 0.2 . 1 . . . . . 35 I CG2 . 27427 1 75 . 1 . 1 35 35 ILE CD1 C 13 12.264 0.2 . 1 . . . . . 35 I CD1 . 27427 1 76 . 1 . 1 35 35 ILE N N 15 124.199 0.2 . 1 . . . . . 35 I N . 27427 1 77 . 1 . 1 36 36 LYS H H 1 7.871 0.03 . 1 . . . . . 36 K HN . 27427 1 78 . 1 . 1 36 36 LYS N N 15 124.614 0.2 . 1 . . . . . 36 K N . 27427 1 79 . 1 . 1 37 37 HIS H H 1 10.687 0.03 . 1 . . . . . 37 H HN . 27427 1 80 . 1 . 1 37 37 HIS N N 15 123.437 0.2 . 1 . . . . . 37 H N . 27427 1 81 . 1 . 1 39 39 LEU H H 1 8.033 0.03 . 1 . . . . . 39 L HN . 27427 1 82 . 1 . 1 39 39 LEU HD11 H 1 0.929 0.03 . 2 . . . . . 39 L HD11 . 27427 1 83 . 1 . 1 39 39 LEU HD12 H 1 0.929 0.03 . 2 . . . . . 39 L HD11 . 27427 1 84 . 1 . 1 39 39 LEU HD13 H 1 0.929 0.03 . 2 . . . . . 39 L HD11 . 27427 1 85 . 1 . 1 39 39 LEU HD21 H 1 0.663 0.03 . 2 . . . . . 39 L HD21 . 27427 1 86 . 1 . 1 39 39 LEU HD22 H 1 0.663 0.03 . 2 . . . . . 39 L HD21 . 27427 1 87 . 1 . 1 39 39 LEU HD23 H 1 0.663 0.03 . 2 . . . . . 39 L HD21 . 27427 1 88 . 1 . 1 39 39 LEU CA C 13 52.521 0.2 . 1 . . . . . 39 L CA . 27427 1 89 . 1 . 1 39 39 LEU CB C 13 41.743 0.2 . 1 . . . . . 39 L CB . 27427 1 90 . 1 . 1 39 39 LEU CG C 13 26.822 0.2 . 1 . . . . . 39 L CG . 27427 1 91 . 1 . 1 39 39 LEU CD1 C 13 27.958 0.2 . 2 . . . . . 39 L CD1 . 27427 1 92 . 1 . 1 39 39 LEU CD2 C 13 22.985 0.2 . 2 . . . . . 39 L CD2 . 27427 1 93 . 1 . 1 39 39 LEU N N 15 122.396 0.2 . 1 . . . . . 39 L N . 27427 1 94 . 1 . 1 40 40 GLN H H 1 8.698 0.03 . 1 . . . . . 40 Q HN . 27427 1 95 . 1 . 1 40 40 GLN N N 15 121.498 0.2 . 1 . . . . . 40 Q N . 27427 1 96 . 1 . 1 41 41 ASN H H 1 7.962 0.03 . 1 . . . . . 41 N HN . 27427 1 97 . 1 . 1 41 41 ASN N N 15 115.524 0.2 . 1 . . . . . 41 N N . 27427 1 98 . 1 . 1 42 42 ARG H H 1 7.828 0.03 . 1 . . . . . 42 R HN . 27427 1 99 . 1 . 1 42 42 ARG N N 15 117.018 0.2 . 1 . . . . . 42 R N . 27427 1 100 . 1 . 1 43 43 TRP H H 1 7.967 0.03 . 1 . . . . . 43 W HN . 27427 1 101 . 1 . 1 43 43 TRP HE1 H 1 10.784 0.03 . 1 . . . . . 43 W HE1 . 27427 1 102 . 1 . 1 43 43 TRP N N 15 125.730 0.2 . 1 . . . . . 43 W N . 27427 1 103 . 1 . 1 43 43 TRP NE1 N 15 131.475 0.2 . 1 . . . . . 43 W NE1 . 27427 1 104 . 1 . 1 44 44 ALA H H 1 9.075 0.03 . 1 . . . . . 44 A HN . 27427 1 105 . 1 . 1 44 44 ALA N N 15 122.313 0.2 . 1 . . . . . 44 A N . 27427 1 106 . 1 . 1 45 45 LEU H H 1 8.441 0.03 . 1 . . . . . 45 L HN . 27427 1 107 . 1 . 1 45 45 LEU HD11 H 1 0.958 0.03 . 2 . . . . . 45 L HD11 . 27427 1 108 . 1 . 1 45 45 LEU HD12 H 1 0.958 0.03 . 2 . . . . . 45 L HD11 . 27427 1 109 . 1 . 1 45 45 LEU HD13 H 1 0.958 0.03 . 2 . . . . . 45 L HD11 . 27427 1 110 . 1 . 1 45 45 LEU HD21 H 1 0.669 0.03 . 2 . . . . . 45 L HD21 . 27427 1 111 . 1 . 1 45 45 LEU HD22 H 1 0.669 0.03 . 2 . . . . . 45 L HD21 . 27427 1 112 . 1 . 1 45 45 LEU HD23 H 1 0.669 0.03 . 2 . . . . . 45 L HD21 . 27427 1 113 . 1 . 1 45 45 LEU CA C 13 53.374 0.2 . 1 . . . . . 45 L CA . 27427 1 114 . 1 . 1 45 45 LEU CB C 13 43.992 0.2 . 1 . . . . . 45 L CB . 27427 1 115 . 1 . 1 45 45 LEU CG C 13 27.237 0.2 . 1 . . . . . 45 L CG . 27427 1 116 . 1 . 1 45 45 LEU CD1 C 13 23.322 0.2 . 2 . . . . . 45 L CD1 . 27427 1 117 . 1 . 1 45 45 LEU CD2 C 13 27.044 0.2 . 2 . . . . . 45 L CD2 . 27427 1 118 . 1 . 1 45 45 LEU N N 15 124.461 0.2 . 1 . . . . . 45 L N . 27427 1 119 . 1 . 1 46 46 TRP H H 1 10.108 0.03 . 1 . . . . . 46 W HN . 27427 1 120 . 1 . 1 46 46 TRP HE1 H 1 9.975 0.03 . 1 . . . . . 46 W HE1 . 27427 1 121 . 1 . 1 46 46 TRP N N 15 128.811 0.2 . 1 . . . . . 46 W N . 27427 1 122 . 1 . 1 46 46 TRP NE1 N 15 129.685 0.2 . 1 . . . . . 46 W NE1 . 27427 1 123 . 1 . 1 47 47 PHE H H 1 9.714 0.03 . 1 . . . . . 47 F HN . 27427 1 124 . 1 . 1 47 47 PHE N N 15 122.637 0.2 . 1 . . . . . 47 F N . 27427 1 125 . 1 . 1 48 48 PHE H H 1 8.113 0.03 . 1 . . . . . 48 F HN . 27427 1 126 . 1 . 1 48 48 PHE N N 15 128.993 0.2 . 1 . . . . . 48 F N . 27427 1 127 . 1 . 1 49 49 LYS H H 1 6.521 0.03 . 1 . . . . . 49 K HN . 27427 1 128 . 1 . 1 49 49 LYS N N 15 125.509 0.2 . 1 . . . . . 49 K N . 27427 1 129 . 1 . 1 50 50 ASN H H 1 7.373 0.03 . 1 . . . . . 50 N HN . 27427 1 130 . 1 . 1 50 50 ASN N N 15 121.640 0.2 . 1 . . . . . 50 N N . 27427 1 131 . 1 . 1 51 51 ASP H H 1 7.296 0.03 . 1 . . . . . 51 D HN . 27427 1 132 . 1 . 1 51 51 ASP N N 15 123.331 0.2 . 1 . . . . . 51 D N . 27427 1 133 . 1 . 1 52 52 LYS H H 1 8.586 0.03 . 1 . . . . . 52 K HN . 27427 1 134 . 1 . 1 52 52 LYS N N 15 125.590 0.2 . 1 . . . . . 52 K N . 27427 1 135 . 1 . 1 53 53 SER H H 1 8.485 0.03 . 1 . . . . . 53 S HN . 27427 1 136 . 1 . 1 53 53 SER N N 15 115.812 0.2 . 1 . . . . . 53 S N . 27427 1 137 . 1 . 1 54 54 LYS H H 1 7.566 0.03 . 1 . . . . . 54 K HN . 27427 1 138 . 1 . 1 54 54 LYS N N 15 122.960 0.2 . 1 . . . . . 54 K N . 27427 1 139 . 1 . 1 55 55 THR H H 1 7.758 0.03 . 1 . . . . . 55 T HN . 27427 1 140 . 1 . 1 55 55 THR N N 15 111.480 0.2 . 1 . . . . . 55 T N . 27427 1 141 . 1 . 1 56 56 TRP H H 1 8.391 0.03 . 1 . . . . . 56 W HN . 27427 1 142 . 1 . 1 56 56 TRP HE1 H 1 9.694 0.03 . 1 . . . . . 56 W HE1 . 27427 1 143 . 1 . 1 56 56 TRP N N 15 122.095 0.2 . 1 . . . . . 56 W N . 27427 1 144 . 1 . 1 56 56 TRP NE1 N 15 130.237 0.2 . 1 . . . . . 56 W NE1 . 27427 1 145 . 1 . 1 57 57 GLN H H 1 8.129 0.03 . 1 . . . . . 57 Q HN . 27427 1 146 . 1 . 1 57 57 GLN N N 15 116.243 0.2 . 1 . . . . . 57 Q N . 27427 1 147 . 1 . 1 58 58 ALA H H 1 7.372 0.03 . 1 . . . . . 58 A HN . 27427 1 148 . 1 . 1 58 58 ALA N N 15 120.390 0.2 . 1 . . . . . 58 A N . 27427 1 149 . 1 . 1 59 59 ASN H H 1 7.467 0.03 . 1 . . . . . 59 N HN . 27427 1 150 . 1 . 1 59 59 ASN N N 15 117.997 0.2 . 1 . . . . . 59 N N . 27427 1 151 . 1 . 1 60 60 LEU H H 1 7.234 0.03 . 1 . . . . . 60 L HN . 27427 1 152 . 1 . 1 60 60 LEU HD11 H 1 0.565 0.03 . 2 . . . . . 60 L HD11 . 27427 1 153 . 1 . 1 60 60 LEU HD12 H 1 0.565 0.03 . 2 . . . . . 60 L HD11 . 27427 1 154 . 1 . 1 60 60 LEU HD13 H 1 0.565 0.03 . 2 . . . . . 60 L HD11 . 27427 1 155 . 1 . 1 60 60 LEU HD21 H 1 0.236 0.03 . 2 . . . . . 60 L HD21 . 27427 1 156 . 1 . 1 60 60 LEU HD22 H 1 0.236 0.03 . 2 . . . . . 60 L HD21 . 27427 1 157 . 1 . 1 60 60 LEU HD23 H 1 0.236 0.03 . 2 . . . . . 60 L HD21 . 27427 1 158 . 1 . 1 60 60 LEU CA C 13 54.421 0.2 . 1 . . . . . 60 L CA . 27427 1 159 . 1 . 1 60 60 LEU CB C 13 43.076 0.2 . 1 . . . . . 60 L CB . 27427 1 160 . 1 . 1 60 60 LEU CG C 13 26.277 0.2 . 1 . . . . . 60 L CG . 27427 1 161 . 1 . 1 60 60 LEU CD1 C 13 23.327 0.2 . 2 . . . . . 60 L CD1 . 27427 1 162 . 1 . 1 60 60 LEU CD2 C 13 25.310 0.2 . 2 . . . . . 60 L CD2 . 27427 1 163 . 1 . 1 60 60 LEU N N 15 124.356 0.2 . 1 . . . . . 60 L N . 27427 1 164 . 1 . 1 61 61 ARG H H 1 9.487 0.03 . 1 . . . . . 61 R HN . 27427 1 165 . 1 . 1 61 61 ARG N N 15 127.025 0.2 . 1 . . . . . 61 R N . 27427 1 166 . 1 . 1 62 62 LEU H H 1 8.711 0.03 . 1 . . . . . 62 L HN . 27427 1 167 . 1 . 1 62 62 LEU HD11 H 1 0.284 0.03 . 2 . . . . . 62 L HD11 . 27427 1 168 . 1 . 1 62 62 LEU HD12 H 1 0.284 0.03 . 2 . . . . . 62 L HD11 . 27427 1 169 . 1 . 1 62 62 LEU HD13 H 1 0.284 0.03 . 2 . . . . . 62 L HD11 . 27427 1 170 . 1 . 1 62 62 LEU HD21 H 1 -0.386 0.03 . 2 . . . . . 62 L HD21 . 27427 1 171 . 1 . 1 62 62 LEU HD22 H 1 -0.386 0.03 . 2 . . . . . 62 L HD21 . 27427 1 172 . 1 . 1 62 62 LEU HD23 H 1 -0.386 0.03 . 2 . . . . . 62 L HD21 . 27427 1 173 . 1 . 1 62 62 LEU CA C 13 54.988 0.2 . 1 . . . . . 62 L CA . 27427 1 174 . 1 . 1 62 62 LEU CB C 13 40.197 0.2 . 1 . . . . . 62 L CB . 27427 1 175 . 1 . 1 62 62 LEU CG C 13 26.059 0.2 . 1 . . . . . 62 L CG . 27427 1 176 . 1 . 1 62 62 LEU CD1 C 13 25.265 0.2 . 2 . . . . . 62 L CD1 . 27427 1 177 . 1 . 1 62 62 LEU CD2 C 13 22.601 0.2 . 2 . . . . . 62 L CD2 . 27427 1 178 . 1 . 1 62 62 LEU N N 15 128.982 0.2 . 1 . . . . . 62 L N . 27427 1 179 . 1 . 1 63 63 ILE H H 1 9.320 0.03 . 1 . . . . . 63 I HN . 27427 1 180 . 1 . 1 63 63 ILE HD11 H 1 0.773 0.03 . 2 . . . . . 63 I HD11 . 27427 1 181 . 1 . 1 63 63 ILE HD12 H 1 0.773 0.03 . 2 . . . . . 63 I HD11 . 27427 1 182 . 1 . 1 63 63 ILE HD13 H 1 0.773 0.03 . 2 . . . . . 63 I HD11 . 27427 1 183 . 1 . 1 63 63 ILE CA C 13 62.470 0.2 . 1 . . . . . 63 I CA . 27427 1 184 . 1 . 1 63 63 ILE CB C 13 36.115 0.2 . 1 . . . . . 63 I CB . 27427 1 185 . 1 . 1 63 63 ILE CG1 C 13 26.516 0.2 . 1 . . . . . 63 I CG1 . 27427 1 186 . 1 . 1 63 63 ILE CD1 C 13 11.458 0.2 . 1 . . . . . 63 I CD1 . 27427 1 187 . 1 . 1 63 63 ILE N N 15 129.397 0.2 . 1 . . . . . 63 I N . 27427 1 188 . 1 . 1 64 64 SER H H 1 7.145 0.03 . 1 . . . . . 64 S HN . 27427 1 189 . 1 . 1 64 64 SER N N 15 109.128 0.2 . 1 . . . . . 64 S N . 27427 1 190 . 1 . 1 65 65 LYS H H 1 8.105 0.03 . 1 . . . . . 65 K HN . 27427 1 191 . 1 . 1 65 65 LYS N N 15 120.724 0.2 . 1 . . . . . 65 K N . 27427 1 192 . 1 . 1 66 66 PHE H H 1 8.436 0.03 . 1 . . . . . 66 F HN . 27427 1 193 . 1 . 1 66 66 PHE N N 15 115.535 0.2 . 1 . . . . . 66 F N . 27427 1 194 . 1 . 1 67 67 ASP H H 1 9.256 0.03 . 1 . . . . . 67 D HN . 27427 1 195 . 1 . 1 67 67 ASP N N 15 116.470 0.2 . 1 . . . . . 67 D N . 27427 1 196 . 1 . 1 68 68 THR H H 1 7.456 0.03 . 1 . . . . . 68 T HN . 27427 1 197 . 1 . 1 68 68 THR N N 15 107.078 0.2 . 1 . . . . . 68 T N . 27427 1 198 . 1 . 1 69 69 VAL H H 1 8.789 0.03 . 1 . . . . . 69 V HN . 27427 1 199 . 1 . 1 69 69 VAL HG11 H 1 0.878 0.03 . 2 . . . . . 69 V HG11 . 27427 1 200 . 1 . 1 69 69 VAL HG12 H 1 0.878 0.03 . 2 . . . . . 69 V HG11 . 27427 1 201 . 1 . 1 69 69 VAL HG13 H 1 0.878 0.03 . 2 . . . . . 69 V HG11 . 27427 1 202 . 1 . 1 69 69 VAL HG21 H 1 0.970 0.03 . 2 . . . . . 69 V HG21 . 27427 1 203 . 1 . 1 69 69 VAL HG22 H 1 0.970 0.03 . 2 . . . . . 69 V HG21 . 27427 1 204 . 1 . 1 69 69 VAL HG23 H 1 0.970 0.03 . 2 . . . . . 69 V HG21 . 27427 1 205 . 1 . 1 69 69 VAL CA C 13 66.071 0.2 . 1 . . . . . 69 V CA . 27427 1 206 . 1 . 1 69 69 VAL CB C 13 32.386 0.2 . 1 . . . . . 69 V CB . 27427 1 207 . 1 . 1 69 69 VAL CG1 C 13 22.752 0.2 . 2 . . . . . 69 V CG1 . 27427 1 208 . 1 . 1 69 69 VAL CG2 C 13 21.417 0.2 . 2 . . . . . 69 V CG2 . 27427 1 209 . 1 . 1 69 69 VAL N N 15 123.351 0.2 . 1 . . . . . 69 V N . 27427 1 210 . 1 . 1 70 70 GLU H H 1 9.806 0.03 . 1 . . . . . 70 E HN . 27427 1 211 . 1 . 1 70 70 GLU N N 15 120.180 0.2 . 1 . . . . . 70 E N . 27427 1 212 . 1 . 1 71 71 ASP H H 1 8.097 0.03 . 1 . . . . . 71 D HN . 27427 1 213 . 1 . 1 71 71 ASP N N 15 118.914 0.2 . 1 . . . . . 71 D N . 27427 1 214 . 1 . 1 72 72 PHE H H 1 7.489 0.03 . 1 . . . . . 72 F HN . 27427 1 215 . 1 . 1 72 72 PHE N N 15 122.788 0.2 . 1 . . . . . 72 F N . 27427 1 216 . 1 . 1 73 73 TRP H H 1 7.580 0.03 . 1 . . . . . 73 W HN . 27427 1 217 . 1 . 1 73 73 TRP HE1 H 1 10.044 0.03 . 1 . . . . . 73 W HE1 . 27427 1 218 . 1 . 1 73 73 TRP N N 15 119.453 0.2 . 1 . . . . . 73 W N . 27427 1 219 . 1 . 1 73 73 TRP NE1 N 15 127.532 0.2 . 1 . . . . . 73 W NE1 . 27427 1 220 . 1 . 1 74 74 ALA H H 1 7.720 0.03 . 1 . . . . . 74 A HN . 27427 1 221 . 1 . 1 74 74 ALA N N 15 120.040 0.2 . 1 . . . . . 74 A N . 27427 1 222 . 1 . 1 75 75 LEU H H 1 6.981 0.03 . 1 . . . . . 75 L HN . 27427 1 223 . 1 . 1 75 75 LEU HD11 H 1 0.601 0.03 . 2 . . . . . 75 L HD11 . 27427 1 224 . 1 . 1 75 75 LEU HD12 H 1 0.601 0.03 . 2 . . . . . 75 L HD11 . 27427 1 225 . 1 . 1 75 75 LEU HD13 H 1 0.601 0.03 . 2 . . . . . 75 L HD11 . 27427 1 226 . 1 . 1 75 75 LEU HD21 H 1 0.627 0.03 . 2 . . . . . 75 L HD21 . 27427 1 227 . 1 . 1 75 75 LEU HD22 H 1 0.627 0.03 . 2 . . . . . 75 L HD21 . 27427 1 228 . 1 . 1 75 75 LEU HD23 H 1 0.627 0.03 . 2 . . . . . 75 L HD21 . 27427 1 229 . 1 . 1 75 75 LEU CA C 13 56.733 0.2 . 1 . . . . . 75 L CA . 27427 1 230 . 1 . 1 75 75 LEU CB C 13 40.589 0.2 . 1 . . . . . 75 L CB . 27427 1 231 . 1 . 1 75 75 LEU CG C 13 25.928 0.2 . 1 . . . . . 75 L CG . 27427 1 232 . 1 . 1 75 75 LEU CD1 C 13 23.398 0.2 . 2 . . . . . 75 L CD1 . 27427 1 233 . 1 . 1 75 75 LEU CD2 C 13 26.583 0.2 . 2 . . . . . 75 L CD2 . 27427 1 234 . 1 . 1 75 75 LEU N N 15 119.643 0.2 . 1 . . . . . 75 L N . 27427 1 235 . 1 . 1 76 76 TYR H H 1 8.301 0.03 . 1 . . . . . 76 Y HN . 27427 1 236 . 1 . 1 76 76 TYR N N 15 119.948 0.2 . 1 . . . . . 76 Y N . 27427 1 237 . 1 . 1 77 77 ASN H H 1 8.091 0.03 . 1 . . . . . 77 N HN . 27427 1 238 . 1 . 1 77 77 ASN N N 15 111.396 0.2 . 1 . . . . . 77 N N . 27427 1 239 . 1 . 1 78 78 HIS H H 1 7.521 0.03 . 1 . . . . . 78 H HN . 27427 1 240 . 1 . 1 78 78 HIS N N 15 117.737 0.2 . 1 . . . . . 78 H N . 27427 1 241 . 1 . 1 79 79 ILE H H 1 6.889 0.03 . 1 . . . . . 79 I HN . 27427 1 242 . 1 . 1 79 79 ILE HD11 H 1 0.234 0.03 . 2 . . . . . 79 I HD11 . 27427 1 243 . 1 . 1 79 79 ILE HD12 H 1 0.234 0.03 . 2 . . . . . 79 I HD11 . 27427 1 244 . 1 . 1 79 79 ILE HD13 H 1 0.234 0.03 . 2 . . . . . 79 I HD11 . 27427 1 245 . 1 . 1 79 79 ILE CB C 13 39.261 0.2 . 1 . . . . . 79 I CB . 27427 1 246 . 1 . 1 79 79 ILE CG1 C 13 23.116 0.2 . 1 . . . . . 79 I CG1 . 27427 1 247 . 1 . 1 79 79 ILE CD1 C 13 13.757 0.2 . 1 . . . . . 79 I CD1 . 27427 1 248 . 1 . 1 79 79 ILE N N 15 113.957 0.2 . 1 . . . . . 79 I N . 27427 1 249 . 1 . 1 80 80 GLN H H 1 8.066 0.03 . 1 . . . . . 80 Q HN . 27427 1 250 . 1 . 1 80 80 GLN N N 15 121.706 0.2 . 1 . . . . . 80 Q N . 27427 1 251 . 1 . 1 81 81 LEU H H 1 8.632 0.03 . 1 . . . . . 81 L HN . 27427 1 252 . 1 . 1 81 81 LEU HD11 H 1 0.736 0.03 . 2 . . . . . 81 L HD11 . 27427 1 253 . 1 . 1 81 81 LEU HD12 H 1 0.736 0.03 . 2 . . . . . 81 L HD11 . 27427 1 254 . 1 . 1 81 81 LEU HD13 H 1 0.736 0.03 . 2 . . . . . 81 L HD11 . 27427 1 255 . 1 . 1 81 81 LEU HD21 H 1 0.674 0.03 . 2 . . . . . 81 L HD21 . 27427 1 256 . 1 . 1 81 81 LEU HD22 H 1 0.674 0.03 . 2 . . . . . 81 L HD21 . 27427 1 257 . 1 . 1 81 81 LEU HD23 H 1 0.674 0.03 . 2 . . . . . 81 L HD21 . 27427 1 258 . 1 . 1 81 81 LEU CB C 13 41.200 0.2 . 1 . . . . . 81 L CB . 27427 1 259 . 1 . 1 81 81 LEU CG C 13 26.147 0.2 . 1 . . . . . 81 L CG . 27427 1 260 . 1 . 1 81 81 LEU CD1 C 13 22.711 0.2 . 2 . . . . . 81 L CD1 . 27427 1 261 . 1 . 1 81 81 LEU CD2 C 13 25.213 0.2 . 2 . . . . . 81 L CD2 . 27427 1 262 . 1 . 1 81 81 LEU N N 15 128.473 0.2 . 1 . . . . . 81 L N . 27427 1 263 . 1 . 1 82 82 SER H H 1 9.441 0.03 . 1 . . . . . 82 S HN . 27427 1 264 . 1 . 1 82 82 SER N N 15 121.281 0.2 . 1 . . . . . 82 S N . 27427 1 265 . 1 . 1 83 83 SER H H 1 9.362 0.03 . 1 . . . . . 83 S HN . 27427 1 266 . 1 . 1 83 83 SER N N 15 114.172 0.2 . 1 . . . . . 83 S N . 27427 1 267 . 1 . 1 84 84 ASN H H 1 7.808 0.03 . 1 . . . . . 84 N HN . 27427 1 268 . 1 . 1 84 84 ASN N N 15 120.075 0.2 . 1 . . . . . 84 N N . 27427 1 269 . 1 . 1 85 85 LEU H H 1 7.456 0.03 . 1 . . . . . 85 L HN . 27427 1 270 . 1 . 1 85 85 LEU HD11 H 1 0.365 0.03 . 2 . . . . . 85 L HD11 . 27427 1 271 . 1 . 1 85 85 LEU HD12 H 1 0.365 0.03 . 2 . . . . . 85 L HD11 . 27427 1 272 . 1 . 1 85 85 LEU HD13 H 1 0.365 0.03 . 2 . . . . . 85 L HD11 . 27427 1 273 . 1 . 1 85 85 LEU HD21 H 1 0.206 0.03 . 2 . . . . . 85 L HD21 . 27427 1 274 . 1 . 1 85 85 LEU HD22 H 1 0.206 0.03 . 2 . . . . . 85 L HD21 . 27427 1 275 . 1 . 1 85 85 LEU HD23 H 1 0.206 0.03 . 2 . . . . . 85 L HD21 . 27427 1 276 . 1 . 1 85 85 LEU CA C 13 54.377 0.2 . 1 . . . . . 85 L CA . 27427 1 277 . 1 . 1 85 85 LEU CB C 13 41.287 0.2 . 1 . . . . . 85 L CB . 27427 1 278 . 1 . 1 85 85 LEU CG C 13 25.623 0.2 . 1 . . . . . 85 L CG . 27427 1 279 . 1 . 1 85 85 LEU CD1 C 13 22.019 0.2 . 2 . . . . . 85 L CD1 . 27427 1 280 . 1 . 1 85 85 LEU CD2 C 13 23.623 0.2 . 2 . . . . . 85 L CD2 . 27427 1 281 . 1 . 1 85 85 LEU N N 15 122.433 0.2 . 1 . . . . . 85 L N . 27427 1 282 . 1 . 1 86 86 MET H H 1 7.990 0.03 . 1 . . . . . 86 M HN . 27427 1 283 . 1 . 1 86 86 MET N N 15 120.334 0.2 . 1 . . . . . 86 M N . 27427 1 284 . 1 . 1 88 88 GLY H H 1 8.905 0.03 . 1 . . . . . 88 G HN . 27427 1 285 . 1 . 1 88 88 GLY N N 15 111.828 0.2 . 1 . . . . . 88 G N . 27427 1 286 . 1 . 1 89 89 CYS H H 1 7.324 0.03 . 1 . . . . . 89 C HN . 27427 1 287 . 1 . 1 89 89 CYS N N 15 118.779 0.2 . 1 . . . . . 89 C N . 27427 1 288 . 1 . 1 90 90 ASP H H 1 8.273 0.03 . 1 . . . . . 90 D HN . 27427 1 289 . 1 . 1 90 90 ASP N N 15 117.903 0.2 . 1 . . . . . 90 D N . 27427 1 290 . 1 . 1 91 91 TYR H H 1 7.716 0.03 . 1 . . . . . 91 Y HN . 27427 1 291 . 1 . 1 91 91 TYR N N 15 115.502 0.2 . 1 . . . . . 91 Y N . 27427 1 292 . 1 . 1 92 92 SER H H 1 9.014 0.03 . 1 . . . . . 92 S HN . 27427 1 293 . 1 . 1 92 92 SER N N 15 111.902 0.2 . 1 . . . . . 92 S N . 27427 1 294 . 1 . 1 93 93 LEU H H 1 9.473 0.03 . 1 . . . . . 93 L HN . 27427 1 295 . 1 . 1 93 93 LEU HD11 H 1 0.964 0.03 . 2 . . . . . 93 L HD11 . 27427 1 296 . 1 . 1 93 93 LEU HD12 H 1 0.964 0.03 . 2 . . . . . 93 L HD11 . 27427 1 297 . 1 . 1 93 93 LEU HD13 H 1 0.964 0.03 . 2 . . . . . 93 L HD11 . 27427 1 298 . 1 . 1 93 93 LEU HD21 H 1 0.111 0.03 . 2 . . . . . 93 L HD21 . 27427 1 299 . 1 . 1 93 93 LEU HD22 H 1 0.111 0.03 . 2 . . . . . 93 L HD21 . 27427 1 300 . 1 . 1 93 93 LEU HD23 H 1 0.111 0.03 . 2 . . . . . 93 L HD21 . 27427 1 301 . 1 . 1 93 93 LEU CA C 13 53.897 0.2 . 1 . . . . . 93 L CA . 27427 1 302 . 1 . 1 93 93 LEU CB C 13 43.861 0.2 . 1 . . . . . 93 L CB . 27427 1 303 . 1 . 1 93 93 LEU CG C 13 27.063 0.2 . 1 . . . . . 93 L CG . 27427 1 304 . 1 . 1 93 93 LEU CD1 C 13 25.608 0.2 . 2 . . . . . 93 L CD1 . 27427 1 305 . 1 . 1 93 93 LEU CD2 C 13 25.736 0.2 . 2 . . . . . 93 L CD2 . 27427 1 306 . 1 . 1 93 93 LEU N N 15 127.001 0.2 . 1 . . . . . 93 L N . 27427 1 307 . 1 . 1 94 94 PHE H H 1 9.504 0.03 . 1 . . . . . 94 F HN . 27427 1 308 . 1 . 1 94 94 PHE N N 15 126.523 0.2 . 1 . . . . . 94 F N . 27427 1 309 . 1 . 1 95 95 LYS H H 1 7.828 0.03 . 1 . . . . . 95 K HN . 27427 1 310 . 1 . 1 95 95 LYS N N 15 123.804 0.2 . 1 . . . . . 95 K N . 27427 1 311 . 1 . 1 96 96 ASP H H 1 8.037 0.03 . 1 . . . . . 96 D HN . 27427 1 312 . 1 . 1 96 96 ASP N N 15 121.186 0.2 . 1 . . . . . 96 D N . 27427 1 313 . 1 . 1 97 97 GLY H H 1 8.815 0.03 . 1 . . . . . 97 G HN . 27427 1 314 . 1 . 1 97 97 GLY N N 15 115.445 0.2 . 1 . . . . . 97 G N . 27427 1 315 . 1 . 1 98 98 ILE H H 1 7.925 0.03 . 1 . . . . . 98 I HN . 27427 1 316 . 1 . 1 98 98 ILE HD11 H 1 0.861 0.03 . 2 . . . . . 98 I HD11 . 27427 1 317 . 1 . 1 98 98 ILE HD12 H 1 0.861 0.03 . 2 . . . . . 98 I HD11 . 27427 1 318 . 1 . 1 98 98 ILE HD13 H 1 0.861 0.03 . 2 . . . . . 98 I HD11 . 27427 1 319 . 1 . 1 98 98 ILE CA C 13 60.637 0.2 . 1 . . . . . 98 I CA . 27427 1 320 . 1 . 1 98 98 ILE CB C 13 38.471 0.2 . 1 . . . . . 98 I CB . 27427 1 321 . 1 . 1 98 98 ILE CG1 C 13 25.294 0.2 . 1 . . . . . 98 I CG1 . 27427 1 322 . 1 . 1 98 98 ILE CD1 C 13 14.032 0.2 . 1 . . . . . 98 I CD1 . 27427 1 323 . 1 . 1 98 98 ILE N N 15 121.560 0.2 . 1 . . . . . 98 I N . 27427 1 324 . 1 . 1 99 99 GLU H H 1 8.587 0.03 . 1 . . . . . 99 E HN . 27427 1 325 . 1 . 1 99 99 GLU N N 15 129.674 0.2 . 1 . . . . . 99 E N . 27427 1 326 . 1 . 1 101 101 MET H H 1 8.009 0.03 . 1 . . . . . 101 M HN . 27427 1 327 . 1 . 1 101 101 MET N N 15 119.034 0.2 . 1 . . . . . 101 M N . 27427 1 328 . 1 . 1 102 102 TRP H H 1 9.100 0.03 . 1 . . . . . 102 W HN . 27427 1 329 . 1 . 1 102 102 TRP HE1 H 1 9.675 0.03 . 1 . . . . . 102 W HE1 . 27427 1 330 . 1 . 1 102 102 TRP N N 15 127.855 0.2 . 1 . . . . . 102 W N . 27427 1 331 . 1 . 1 102 102 TRP NE1 N 15 130.198 0.2 . 1 . . . . . 102 W NE1 . 27427 1 332 . 1 . 1 103 103 GLU H H 1 7.243 0.03 . 1 . . . . . 103 E HN . 27427 1 333 . 1 . 1 103 103 GLU N N 15 112.982 0.2 . 1 . . . . . 103 E N . 27427 1 334 . 1 . 1 104 104 ASP H H 1 6.798 0.03 . 1 . . . . . 104 D HN . 27427 1 335 . 1 . 1 104 104 ASP N N 15 120.915 0.2 . 1 . . . . . 104 D N . 27427 1 336 . 1 . 1 105 105 GLU H H 1 9.003 0.03 . 1 . . . . . 105 E HN . 27427 1 337 . 1 . 1 105 105 GLU N N 15 129.444 0.2 . 1 . . . . . 105 E N . 27427 1 338 . 1 . 1 106 106 LYS H H 1 9.533 0.03 . 1 . . . . . 106 K HN . 27427 1 339 . 1 . 1 106 106 LYS N N 15 115.965 0.2 . 1 . . . . . 106 K N . 27427 1 340 . 1 . 1 107 107 ASN H H 1 8.127 0.03 . 1 . . . . . 107 N HN . 27427 1 341 . 1 . 1 107 107 ASN N N 15 115.325 0.2 . 1 . . . . . 107 N N . 27427 1 342 . 1 . 1 108 108 LYS H H 1 8.045 0.03 . 1 . . . . . 108 K HN . 27427 1 343 . 1 . 1 108 108 LYS N N 15 123.219 0.2 . 1 . . . . . 108 K N . 27427 1 344 . 1 . 1 109 109 ARG H H 1 9.220 0.03 . 1 . . . . . 109 R HN . 27427 1 345 . 1 . 1 109 109 ARG N N 15 122.350 0.2 . 1 . . . . . 109 R N . 27427 1 346 . 1 . 1 110 110 GLY H H 1 8.470 0.03 . 1 . . . . . 110 G HN . 27427 1 347 . 1 . 1 110 110 GLY N N 15 110.768 0.2 . 1 . . . . . 110 G N . 27427 1 348 . 1 . 1 111 111 GLY H H 1 7.402 0.03 . 1 . . . . . 111 G HN . 27427 1 349 . 1 . 1 111 111 GLY N N 15 112.848 0.2 . 1 . . . . . 111 G N . 27427 1 350 . 1 . 1 112 112 ARG H H 1 7.218 0.03 . 1 . . . . . 112 R HN . 27427 1 351 . 1 . 1 112 112 ARG N N 15 114.346 0.2 . 1 . . . . . 112 R N . 27427 1 352 . 1 . 1 113 113 TRP H H 1 8.774 0.03 . 1 . . . . . 113 W HN . 27427 1 353 . 1 . 1 113 113 TRP HE1 H 1 9.510 0.03 . 1 . . . . . 113 W HE1 . 27427 1 354 . 1 . 1 113 113 TRP N N 15 123.992 0.2 . 1 . . . . . 113 W N . 27427 1 355 . 1 . 1 113 113 TRP NE1 N 15 128.295 0.2 . 1 . . . . . 113 W NE1 . 27427 1 356 . 1 . 1 114 114 LEU H H 1 8.609 0.03 . 1 . . . . . 114 L HN . 27427 1 357 . 1 . 1 114 114 LEU HD11 H 1 0.562 0.03 . 2 . . . . . 114 L HD11 . 27427 1 358 . 1 . 1 114 114 LEU HD12 H 1 0.562 0.03 . 2 . . . . . 114 L HD11 . 27427 1 359 . 1 . 1 114 114 LEU HD13 H 1 0.562 0.03 . 2 . . . . . 114 L HD11 . 27427 1 360 . 1 . 1 114 114 LEU HD21 H 1 0.669 0.03 . 2 . . . . . 114 L HD21 . 27427 1 361 . 1 . 1 114 114 LEU HD22 H 1 0.669 0.03 . 2 . . . . . 114 L HD21 . 27427 1 362 . 1 . 1 114 114 LEU HD23 H 1 0.669 0.03 . 2 . . . . . 114 L HD21 . 27427 1 363 . 1 . 1 114 114 LEU CA C 13 53.853 0.2 . 1 . . . . . 114 L CA . 27427 1 364 . 1 . 1 114 114 LEU CB C 13 45.956 0.2 . 1 . . . . . 114 L CB . 27427 1 365 . 1 . 1 114 114 LEU CG C 13 26.190 0.2 . 1 . . . . . 114 L CG . 27427 1 366 . 1 . 1 114 114 LEU CD1 C 13 25.531 0.2 . 2 . . . . . 114 L CD1 . 27427 1 367 . 1 . 1 114 114 LEU CD2 C 13 24.584 0.2 . 2 . . . . . 114 L CD2 . 27427 1 368 . 1 . 1 114 114 LEU N N 15 124.909 0.2 . 1 . . . . . 114 L N . 27427 1 369 . 1 . 1 115 115 ILE H H 1 9.701 0.03 . 1 . . . . . 115 I HN . 27427 1 370 . 1 . 1 115 115 ILE HD11 H 1 0.372 0.03 . 2 . . . . . 115 I HD11 . 27427 1 371 . 1 . 1 115 115 ILE HD12 H 1 0.372 0.03 . 2 . . . . . 115 I HD11 . 27427 1 372 . 1 . 1 115 115 ILE HD13 H 1 0.372 0.03 . 2 . . . . . 115 I HD11 . 27427 1 373 . 1 . 1 115 115 ILE CA C 13 59.506 0.2 . 1 . . . . . 115 I CA . 27427 1 374 . 1 . 1 115 115 ILE CB C 13 38.912 0.2 . 1 . . . . . 115 I CB . 27427 1 375 . 1 . 1 115 115 ILE CG1 C 13 26.781 0.2 . 1 . . . . . 115 I CG1 . 27427 1 376 . 1 . 1 115 115 ILE CD1 C 13 13.120 0.2 . 1 . . . . . 115 I CD1 . 27427 1 377 . 1 . 1 115 115 ILE N N 15 127.492 0.2 . 1 . . . . . 115 I N . 27427 1 378 . 1 . 1 116 116 THR H H 1 8.184 0.03 . 1 . . . . . 116 T HN . 27427 1 379 . 1 . 1 116 116 THR N N 15 119.309 0.2 . 1 . . . . . 116 T N . 27427 1 380 . 1 . 1 117 117 LEU H H 1 8.701 0.03 . 1 . . . . . 117 L HN . 27427 1 381 . 1 . 1 117 117 LEU HD11 H 1 0.595 0.03 . 2 . . . . . 117 L HD11 . 27427 1 382 . 1 . 1 117 117 LEU HD12 H 1 0.595 0.03 . 2 . . . . . 117 L HD11 . 27427 1 383 . 1 . 1 117 117 LEU HD13 H 1 0.595 0.03 . 2 . . . . . 117 L HD11 . 27427 1 384 . 1 . 1 117 117 LEU HD21 H 1 0.664 0.03 . 2 . . . . . 117 L HD21 . 27427 1 385 . 1 . 1 117 117 LEU HD22 H 1 0.664 0.03 . 2 . . . . . 117 L HD21 . 27427 1 386 . 1 . 1 117 117 LEU HD23 H 1 0.664 0.03 . 2 . . . . . 117 L HD21 . 27427 1 387 . 1 . 1 117 117 LEU CA C 13 53.722 0.2 . 1 . . . . . 117 L CA . 27427 1 388 . 1 . 1 117 117 LEU CB C 13 42.858 0.2 . 1 . . . . . 117 L CB . 27427 1 389 . 1 . 1 117 117 LEU CG C 13 27.368 0.2 . 1 . . . . . 117 L CG . 27427 1 390 . 1 . 1 117 117 LEU CD1 C 13 24.612 0.2 . 2 . . . . . 117 L CD1 . 27427 1 391 . 1 . 1 117 117 LEU CD2 C 13 25.588 0.2 . 2 . . . . . 117 L CD2 . 27427 1 392 . 1 . 1 117 117 LEU N N 15 126.828 0.2 . 1 . . . . . 117 L N . 27427 1 393 . 1 . 1 118 118 ASN H H 1 8.646 0.03 . 1 . . . . . 118 N HN . 27427 1 394 . 1 . 1 118 118 ASN N N 15 119.966 0.2 . 1 . . . . . 118 N N . 27427 1 395 . 1 . 1 119 119 LYS H H 1 8.758 0.03 . 1 . . . . . 119 K HN . 27427 1 396 . 1 . 1 119 119 LYS N N 15 123.210 0.2 . 1 . . . . . 119 K N . 27427 1 397 . 1 . 1 120 120 GLN H H 1 8.554 0.03 . 1 . . . . . 120 Q HN . 27427 1 398 . 1 . 1 120 120 GLN N N 15 119.285 0.2 . 1 . . . . . 120 Q N . 27427 1 399 . 1 . 1 121 121 GLN H H 1 7.884 0.03 . 1 . . . . . 121 Q HN . 27427 1 400 . 1 . 1 121 121 GLN N N 15 117.788 0.2 . 1 . . . . . 121 Q N . 27427 1 401 . 1 . 1 122 122 ARG H H 1 7.583 0.03 . 1 . . . . . 122 R HN . 27427 1 402 . 1 . 1 122 122 ARG N N 15 123.355 0.2 . 1 . . . . . 122 R N . 27427 1 403 . 1 . 1 124 124 SER H H 1 7.567 0.03 . 1 . . . . . 124 S HN . 27427 1 404 . 1 . 1 124 124 SER N N 15 111.438 0.2 . 1 . . . . . 124 S N . 27427 1 405 . 1 . 1 125 125 ASP H H 1 8.016 0.03 . 1 . . . . . 125 D HN . 27427 1 406 . 1 . 1 125 125 ASP N N 15 121.365 0.2 . 1 . . . . . 125 D N . 27427 1 407 . 1 . 1 126 126 LEU H H 1 7.348 0.03 . 1 . . . . . 126 L HN . 27427 1 408 . 1 . 1 126 126 LEU HD11 H 1 0.708 0.03 . 2 . . . . . 126 L HD11 . 27427 1 409 . 1 . 1 126 126 LEU HD12 H 1 0.708 0.03 . 2 . . . . . 126 L HD11 . 27427 1 410 . 1 . 1 126 126 LEU HD13 H 1 0.708 0.03 . 2 . . . . . 126 L HD11 . 27427 1 411 . 1 . 1 126 126 LEU HD21 H 1 0.497 0.03 . 2 . . . . . 126 L HD21 . 27427 1 412 . 1 . 1 126 126 LEU HD22 H 1 0.497 0.03 . 2 . . . . . 126 L HD21 . 27427 1 413 . 1 . 1 126 126 LEU HD23 H 1 0.497 0.03 . 2 . . . . . 126 L HD21 . 27427 1 414 . 1 . 1 126 126 LEU CA C 13 60.049 0.2 . 1 . . . . . 126 L CA . 27427 1 415 . 1 . 1 126 126 LEU CB C 13 41.549 0.2 . 1 . . . . . 126 L CB . 27427 1 416 . 1 . 1 126 126 LEU CG C 13 25.928 0.2 . 1 . . . . . 126 L CG . 27427 1 417 . 1 . 1 126 126 LEU CD1 C 13 23.176 0.2 . 2 . . . . . 126 L CD1 . 27427 1 418 . 1 . 1 126 126 LEU CD2 C 13 25.977 0.2 . 2 . . . . . 126 L CD2 . 27427 1 419 . 1 . 1 126 126 LEU N N 15 120.260 0.2 . 1 . . . . . 126 L N . 27427 1 420 . 1 . 1 127 127 ASP H H 1 8.014 0.03 . 1 . . . . . 127 D HN . 27427 1 421 . 1 . 1 127 127 ASP N N 15 121.236 0.2 . 1 . . . . . 127 D N . 27427 1 422 . 1 . 1 128 128 ARG H H 1 8.120 0.03 . 1 . . . . . 128 R HN . 27427 1 423 . 1 . 1 128 128 ARG N N 15 121.537 0.2 . 1 . . . . . 128 R N . 27427 1 424 . 1 . 1 129 129 PHE H H 1 8.655 0.03 . 1 . . . . . 129 F HN . 27427 1 425 . 1 . 1 129 129 PHE N N 15 119.536 0.2 . 1 . . . . . 129 F N . 27427 1 426 . 1 . 1 130 130 TRP H H 1 9.335 0.03 . 1 . . . . . 130 W HN . 27427 1 427 . 1 . 1 130 130 TRP HE1 H 1 10.370 0.03 . 1 . . . . . 130 W HE1 . 27427 1 428 . 1 . 1 130 130 TRP N N 15 126.373 0.2 . 1 . . . . . 130 W N . 27427 1 429 . 1 . 1 130 130 TRP NE1 N 15 129.441 0.2 . 1 . . . . . 130 W NE1 . 27427 1 430 . 1 . 1 131 131 LEU H H 1 8.573 0.03 . 1 . . . . . 131 L HN . 27427 1 431 . 1 . 1 131 131 LEU HD11 H 1 0.801 0.03 . 2 . . . . . 131 L HD11 . 27427 1 432 . 1 . 1 131 131 LEU HD12 H 1 0.801 0.03 . 2 . . . . . 131 L HD11 . 27427 1 433 . 1 . 1 131 131 LEU HD13 H 1 0.801 0.03 . 2 . . . . . 131 L HD11 . 27427 1 434 . 1 . 1 131 131 LEU HD21 H 1 -0.016 0.03 . 2 . . . . . 131 L HD21 . 27427 1 435 . 1 . 1 131 131 LEU HD22 H 1 -0.016 0.03 . 2 . . . . . 131 L HD21 . 27427 1 436 . 1 . 1 131 131 LEU HD23 H 1 -0.016 0.03 . 2 . . . . . 131 L HD21 . 27427 1 437 . 1 . 1 131 131 LEU CA C 13 58.085 0.2 . 1 . . . . . 131 L CA . 27427 1 438 . 1 . 1 131 131 LEU CB C 13 39.323 0.2 . 1 . . . . . 131 L CB . 27427 1 439 . 1 . 1 131 131 LEU CG C 13 26.059 0.2 . 1 . . . . . 131 L CG . 27427 1 440 . 1 . 1 131 131 LEU CD1 C 13 24.957 0.2 . 2 . . . . . 131 L CD1 . 27427 1 441 . 1 . 1 131 131 LEU CD2 C 13 20.630 0.2 . 2 . . . . . 131 L CD2 . 27427 1 442 . 1 . 1 131 131 LEU N N 15 120.529 0.2 . 1 . . . . . 131 L N . 27427 1 443 . 1 . 1 132 132 GLU H H 1 8.042 0.03 . 1 . . . . . 132 E HN . 27427 1 444 . 1 . 1 132 132 GLU N N 15 115.997 0.2 . 1 . . . . . 132 E N . 27427 1 445 . 1 . 1 133 133 THR H H 1 7.824 0.03 . 1 . . . . . 133 T HN . 27427 1 446 . 1 . 1 133 133 THR N N 15 117.824 0.2 . 1 . . . . . 133 T N . 27427 1 447 . 1 . 1 134 134 LEU H H 1 7.804 0.03 . 1 . . . . . 134 L HN . 27427 1 448 . 1 . 1 134 134 LEU HD11 H 1 0.184 0.03 . 2 . . . . . 134 L HD11 . 27427 1 449 . 1 . 1 134 134 LEU HD12 H 1 0.184 0.03 . 2 . . . . . 134 L HD11 . 27427 1 450 . 1 . 1 134 134 LEU HD13 H 1 0.184 0.03 . 2 . . . . . 134 L HD11 . 27427 1 451 . 1 . 1 134 134 LEU HD21 H 1 -0.208 0.03 . 2 . . . . . 134 L HD21 . 27427 1 452 . 1 . 1 134 134 LEU HD22 H 1 -0.208 0.03 . 2 . . . . . 134 L HD21 . 27427 1 453 . 1 . 1 134 134 LEU HD23 H 1 -0.208 0.03 . 2 . . . . . 134 L HD21 . 27427 1 454 . 1 . 1 134 134 LEU CA C 13 57.606 0.2 . 1 . . . . . 134 L CA . 27427 1 455 . 1 . 1 134 134 LEU CB C 13 39.629 0.2 . 1 . . . . . 134 L CB . 27427 1 456 . 1 . 1 134 134 LEU CG C 13 24.008 0.2 . 1 . . . . . 134 L CG . 27427 1 457 . 1 . 1 134 134 LEU CD1 C 13 24.271 0.2 . 2 . . . . . 134 L CD1 . 27427 1 458 . 1 . 1 134 134 LEU CD2 C 13 22.886 0.2 . 2 . . . . . 134 L CD2 . 27427 1 459 . 1 . 1 134 134 LEU N N 15 121.221 0.2 . 1 . . . . . 134 L N . 27427 1 460 . 1 . 1 135 135 LEU H H 1 7.976 0.03 . 1 . . . . . 135 L HN . 27427 1 461 . 1 . 1 135 135 LEU HD11 H 1 0.083 0.03 . 2 . . . . . 135 L HD11 . 27427 1 462 . 1 . 1 135 135 LEU HD12 H 1 0.083 0.03 . 2 . . . . . 135 L HD11 . 27427 1 463 . 1 . 1 135 135 LEU HD13 H 1 0.083 0.03 . 2 . . . . . 135 L HD11 . 27427 1 464 . 1 . 1 135 135 LEU HD21 H 1 0.580 0.03 . 2 . . . . . 135 L HD21 . 27427 1 465 . 1 . 1 135 135 LEU HD22 H 1 0.580 0.03 . 2 . . . . . 135 L HD21 . 27427 1 466 . 1 . 1 135 135 LEU HD23 H 1 0.580 0.03 . 2 . . . . . 135 L HD21 . 27427 1 467 . 1 . 1 135 135 LEU CA C 13 57.082 0.2 . 1 . . . . . 135 L CA . 27427 1 468 . 1 . 1 135 135 LEU CB C 13 39.367 0.2 . 1 . . . . . 135 L CB . 27427 1 469 . 1 . 1 135 135 LEU CG C 13 25.230 0.2 . 1 . . . . . 135 L CG . 27427 1 470 . 1 . 1 135 135 LEU CD1 C 13 21.143 0.2 . 2 . . . . . 135 L CD1 . 27427 1 471 . 1 . 1 135 135 LEU CD2 C 13 25.179 0.2 . 2 . . . . . 135 L CD2 . 27427 1 472 . 1 . 1 135 135 LEU N N 15 116.948 0.2 . 1 . . . . . 135 L N . 27427 1 473 . 1 . 1 136 136 CYS H H 1 7.945 0.03 . 1 . . . . . 136 C HN . 27427 1 474 . 1 . 1 136 136 CYS N N 15 120.758 0.2 . 1 . . . . . 136 C N . 27427 1 475 . 1 . 1 137 137 LEU H H 1 7.101 0.03 . 1 . . . . . 137 L HN . 27427 1 476 . 1 . 1 137 137 LEU HD11 H 1 0.520 0.03 . 2 . . . . . 137 L HD11 . 27427 1 477 . 1 . 1 137 137 LEU HD12 H 1 0.520 0.03 . 2 . . . . . 137 L HD11 . 27427 1 478 . 1 . 1 137 137 LEU HD13 H 1 0.520 0.03 . 2 . . . . . 137 L HD11 . 27427 1 479 . 1 . 1 137 137 LEU HD21 H 1 0.430 0.03 . 2 . . . . . 137 L HD21 . 27427 1 480 . 1 . 1 137 137 LEU HD22 H 1 0.430 0.03 . 2 . . . . . 137 L HD21 . 27427 1 481 . 1 . 1 137 137 LEU HD23 H 1 0.430 0.03 . 2 . . . . . 137 L HD21 . 27427 1 482 . 1 . 1 137 137 LEU CB C 13 38.626 0.2 . 1 . . . . . 137 L CB . 27427 1 483 . 1 . 1 137 137 LEU CG C 13 28.895 0.2 . 1 . . . . . 137 L CG . 27427 1 484 . 1 . 1 137 137 LEU CD1 C 13 23.686 0.2 . 2 . . . . . 137 L CD1 . 27427 1 485 . 1 . 1 137 137 LEU CD2 C 13 25.681 0.2 . 2 . . . . . 137 L CD2 . 27427 1 486 . 1 . 1 137 137 LEU N N 15 121.281 0.2 . 1 . . . . . 137 L N . 27427 1 487 . 1 . 1 138 138 ILE H H 1 7.640 0.03 . 1 . . . . . 138 I HN . 27427 1 488 . 1 . 1 138 138 ILE HD11 H 1 -0.584 0.03 . 2 . . . . . 138 I HD11 . 27427 1 489 . 1 . 1 138 138 ILE HD12 H 1 -0.584 0.03 . 2 . . . . . 138 I HD11 . 27427 1 490 . 1 . 1 138 138 ILE HD13 H 1 -0.584 0.03 . 2 . . . . . 138 I HD11 . 27427 1 491 . 1 . 1 138 138 ILE CA C 13 63.608 0.2 . 1 . . . . . 138 I CA . 27427 1 492 . 1 . 1 138 138 ILE CB C 13 35.944 0.2 . 1 . . . . . 138 I CB . 27427 1 493 . 1 . 1 138 138 ILE CG1 C 13 23.814 0.2 . 1 . . . . . 138 I CG1 . 27427 1 494 . 1 . 1 138 138 ILE CD1 C 13 12.428 0.2 . 1 . . . . . 138 I CD1 . 27427 1 495 . 1 . 1 138 138 ILE N N 15 111.484 0.2 . 1 . . . . . 138 I N . 27427 1 496 . 1 . 1 139 139 GLY H H 1 7.343 0.03 . 1 . . . . . 139 G HN . 27427 1 497 . 1 . 1 139 139 GLY N N 15 108.425 0.2 . 1 . . . . . 139 G N . 27427 1 498 . 1 . 1 140 140 GLU H H 1 7.736 0.03 . 1 . . . . . 140 E HN . 27427 1 499 . 1 . 1 140 140 GLU N N 15 117.655 0.2 . 1 . . . . . 140 E N . 27427 1 500 . 1 . 1 141 141 SER H H 1 7.290 0.03 . 1 . . . . . 141 S HN . 27427 1 501 . 1 . 1 141 141 SER N N 15 112.720 0.2 . 1 . . . . . 141 S N . 27427 1 502 . 1 . 1 142 142 PHE H H 1 7.797 0.03 . 1 . . . . . 142 F HN . 27427 1 503 . 1 . 1 142 142 PHE N N 15 118.156 0.2 . 1 . . . . . 142 F N . 27427 1 504 . 1 . 1 143 143 ASP H H 1 8.007 0.03 . 1 . . . . . 143 D HN . 27427 1 505 . 1 . 1 143 143 ASP N N 15 117.803 0.2 . 1 . . . . . 143 D N . 27427 1 506 . 1 . 1 144 144 ASP H H 1 8.594 0.03 . 1 . . . . . 144 D HN . 27427 1 507 . 1 . 1 144 144 ASP N N 15 123.905 0.2 . 1 . . . . . 144 D N . 27427 1 508 . 1 . 1 145 145 TYR H H 1 7.688 0.03 . 1 . . . . . 145 Y HN . 27427 1 509 . 1 . 1 145 145 TYR N N 15 117.548 0.2 . 1 . . . . . 145 Y N . 27427 1 510 . 1 . 1 146 146 SER H H 1 7.498 0.03 . 1 . . . . . 146 S HN . 27427 1 511 . 1 . 1 146 146 SER N N 15 117.591 0.2 . 1 . . . . . 146 S N . 27427 1 512 . 1 . 1 147 147 ASP H H 1 8.528 0.03 . 1 . . . . . 147 D HN . 27427 1 513 . 1 . 1 147 147 ASP N N 15 121.623 0.2 . 1 . . . . . 147 D N . 27427 1 514 . 1 . 1 148 148 ASP H H 1 7.693 0.03 . 1 . . . . . 148 D HN . 27427 1 515 . 1 . 1 148 148 ASP N N 15 119.669 0.2 . 1 . . . . . 148 D N . 27427 1 516 . 1 . 1 149 149 VAL H H 1 7.503 0.03 . 1 . . . . . 149 V HN . 27427 1 517 . 1 . 1 149 149 VAL HG11 H 1 0.839 0.03 . 2 . . . . . 149 V HG11 . 27427 1 518 . 1 . 1 149 149 VAL HG12 H 1 0.839 0.03 . 2 . . . . . 149 V HG11 . 27427 1 519 . 1 . 1 149 149 VAL HG13 H 1 0.839 0.03 . 2 . . . . . 149 V HG11 . 27427 1 520 . 1 . 1 149 149 VAL HG21 H 1 0.738 0.03 . 2 . . . . . 149 V HG21 . 27427 1 521 . 1 . 1 149 149 VAL HG22 H 1 0.738 0.03 . 2 . . . . . 149 V HG21 . 27427 1 522 . 1 . 1 149 149 VAL HG23 H 1 0.738 0.03 . 2 . . . . . 149 V HG21 . 27427 1 523 . 1 . 1 149 149 VAL CA C 13 64.258 0.2 . 1 . . . . . 149 V CA . 27427 1 524 . 1 . 1 149 149 VAL CB C 13 31.708 0.2 . 1 . . . . . 149 V CB . 27427 1 525 . 1 . 1 149 149 VAL CG1 C 13 21.571 0.2 . 2 . . . . . 149 V CG1 . 27427 1 526 . 1 . 1 149 149 VAL CG2 C 13 22.912 0.2 . 2 . . . . . 149 V CG2 . 27427 1 527 . 1 . 1 149 149 VAL N N 15 120.501 0.2 . 1 . . . . . 149 V N . 27427 1 528 . 1 . 1 150 150 CYS H H 1 9.146 0.03 . 1 . . . . . 150 C HN . 27427 1 529 . 1 . 1 150 150 CYS N N 15 124.813 0.2 . 1 . . . . . 150 C N . 27427 1 530 . 1 . 1 151 151 GLY H H 1 7.243 0.03 . 1 . . . . . 151 G HN . 27427 1 531 . 1 . 1 151 151 GLY N N 15 103.982 0.2 . 1 . . . . . 151 G N . 27427 1 532 . 1 . 1 152 152 ALA H H 1 8.575 0.03 . 1 . . . . . 152 A HN . 27427 1 533 . 1 . 1 152 152 ALA N N 15 121.833 0.2 . 1 . . . . . 152 A N . 27427 1 534 . 1 . 1 153 153 VAL H H 1 8.733 0.03 . 1 . . . . . 153 V HN . 27427 1 535 . 1 . 1 153 153 VAL HG11 H 1 0.602 0.03 . 2 . . . . . 153 V HG11 . 27427 1 536 . 1 . 1 153 153 VAL HG12 H 1 0.602 0.03 . 2 . . . . . 153 V HG11 . 27427 1 537 . 1 . 1 153 153 VAL HG13 H 1 0.602 0.03 . 2 . . . . . 153 V HG11 . 27427 1 538 . 1 . 1 153 153 VAL HG21 H 1 0.253 0.03 . 2 . . . . . 153 V HG21 . 27427 1 539 . 1 . 1 153 153 VAL HG22 H 1 0.253 0.03 . 2 . . . . . 153 V HG21 . 27427 1 540 . 1 . 1 153 153 VAL HG23 H 1 0.253 0.03 . 2 . . . . . 153 V HG21 . 27427 1 541 . 1 . 1 153 153 VAL CA C 13 61.097 0.2 . 1 . . . . . 153 V CA . 27427 1 542 . 1 . 1 153 153 VAL CB C 13 36.880 0.2 . 1 . . . . . 153 V CB . 27427 1 543 . 1 . 1 153 153 VAL CG1 C 13 20.732 0.2 . 2 . . . . . 153 V CG1 . 27427 1 544 . 1 . 1 153 153 VAL CG2 C 13 20.392 0.2 . 2 . . . . . 153 V CG2 . 27427 1 545 . 1 . 1 153 153 VAL N N 15 119.809 0.2 . 1 . . . . . 153 V N . 27427 1 546 . 1 . 1 154 154 VAL H H 1 8.905 0.03 . 1 . . . . . 154 V HN . 27427 1 547 . 1 . 1 154 154 VAL HG11 H 1 0.454 0.03 . 2 . . . . . 154 V HG11 . 27427 1 548 . 1 . 1 154 154 VAL HG12 H 1 0.454 0.03 . 2 . . . . . 154 V HG11 . 27427 1 549 . 1 . 1 154 154 VAL HG13 H 1 0.454 0.03 . 2 . . . . . 154 V HG11 . 27427 1 550 . 1 . 1 154 154 VAL HG21 H 1 -0.258 0.03 . 2 . . . . . 154 V HG21 . 27427 1 551 . 1 . 1 154 154 VAL HG22 H 1 -0.258 0.03 . 2 . . . . . 154 V HG21 . 27427 1 552 . 1 . 1 154 154 VAL HG23 H 1 -0.258 0.03 . 2 . . . . . 154 V HG21 . 27427 1 553 . 1 . 1 154 154 VAL CA C 13 57.388 0.2 . 1 . . . . . 154 V CA . 27427 1 554 . 1 . 1 154 154 VAL CB C 13 33.215 0.2 . 1 . . . . . 154 V CB . 27427 1 555 . 1 . 1 154 154 VAL CG1 C 13 21.314 0.2 . 2 . . . . . 154 V CG1 . 27427 1 556 . 1 . 1 154 154 VAL CG2 C 13 18.947 0.2 . 2 . . . . . 154 V CG2 . 27427 1 557 . 1 . 1 154 154 VAL N N 15 128.797 0.2 . 1 . . . . . 154 V N . 27427 1 558 . 1 . 1 155 155 ASN H H 1 9.213 0.03 . 1 . . . . . 155 N HN . 27427 1 559 . 1 . 1 155 155 ASN N N 15 123.410 0.2 . 1 . . . . . 155 N N . 27427 1 560 . 1 . 1 156 156 VAL H H 1 8.131 0.03 . 1 . . . . . 156 V HN . 27427 1 561 . 1 . 1 156 156 VAL HG11 H 1 0.633 0.03 . 2 . . . . . 156 V HG11 . 27427 1 562 . 1 . 1 156 156 VAL HG12 H 1 0.633 0.03 . 2 . . . . . 156 V HG11 . 27427 1 563 . 1 . 1 156 156 VAL HG13 H 1 0.633 0.03 . 2 . . . . . 156 V HG11 . 27427 1 564 . 1 . 1 156 156 VAL HG21 H 1 0.469 0.03 . 2 . . . . . 156 V HG21 . 27427 1 565 . 1 . 1 156 156 VAL HG22 H 1 0.469 0.03 . 2 . . . . . 156 V HG21 . 27427 1 566 . 1 . 1 156 156 VAL HG23 H 1 0.469 0.03 . 2 . . . . . 156 V HG21 . 27427 1 567 . 1 . 1 156 156 VAL CA C 13 61.926 0.2 . 1 . . . . . 156 V CA . 27427 1 568 . 1 . 1 156 156 VAL CB C 13 30.291 0.2 . 1 . . . . . 156 V CB . 27427 1 569 . 1 . 1 156 156 VAL CG1 C 13 21.418 0.2 . 2 . . . . . 156 V CG1 . 27427 1 570 . 1 . 1 156 156 VAL CG2 C 13 19.652 0.2 . 2 . . . . . 156 V CG2 . 27427 1 571 . 1 . 1 156 156 VAL N N 15 125.799 0.2 . 1 . . . . . 156 V N . 27427 1 572 . 1 . 1 157 157 ARG H H 1 9.139 0.03 . 1 . . . . . 157 R HN . 27427 1 573 . 1 . 1 157 157 ARG N N 15 131.530 0.2 . 1 . . . . . 157 R N . 27427 1 574 . 1 . 1 158 158 ALA H H 1 8.739 0.03 . 1 . . . . . 158 A HN . 27427 1 575 . 1 . 1 158 158 ALA N N 15 125.107 0.2 . 1 . . . . . 158 A N . 27427 1 576 . 1 . 1 159 159 LYS H H 1 7.961 0.03 . 1 . . . . . 159 K HN . 27427 1 577 . 1 . 1 159 159 LYS N N 15 113.381 0.2 . 1 . . . . . 159 K N . 27427 1 578 . 1 . 1 160 160 GLY H H 1 6.959 0.03 . 1 . . . . . 160 G HN . 27427 1 579 . 1 . 1 160 160 GLY N N 15 109.905 0.2 . 1 . . . . . 160 G N . 27427 1 580 . 1 . 1 161 161 ASP H H 1 7.986 0.03 . 1 . . . . . 161 D HN . 27427 1 581 . 1 . 1 161 161 ASP N N 15 124.536 0.2 . 1 . . . . . 161 D N . 27427 1 582 . 1 . 1 162 162 LYS H H 1 8.512 0.03 . 1 . . . . . 162 K HN . 27427 1 583 . 1 . 1 162 162 LYS N N 15 119.145 0.2 . 1 . . . . . 162 K N . 27427 1 584 . 1 . 1 163 163 ILE H H 1 8.777 0.03 . 1 . . . . . 163 I HN . 27427 1 585 . 1 . 1 163 163 ILE HD11 H 1 0.984 0.03 . 2 . . . . . 163 I HD11 . 27427 1 586 . 1 . 1 163 163 ILE HD12 H 1 0.984 0.03 . 2 . . . . . 163 I HD11 . 27427 1 587 . 1 . 1 163 163 ILE HD13 H 1 0.984 0.03 . 2 . . . . . 163 I HD11 . 27427 1 588 . 1 . 1 163 163 ILE CA C 13 60.375 0.2 . 1 . . . . . 163 I CA . 27427 1 589 . 1 . 1 163 163 ILE CB C 13 41.089 0.2 . 1 . . . . . 163 I CB . 27427 1 590 . 1 . 1 163 163 ILE CG1 C 13 27.388 0.2 . 1 . . . . . 163 I CG1 . 27427 1 591 . 1 . 1 163 163 ILE CD1 C 13 16.130 0.2 . 1 . . . . . 163 I CD1 . 27427 1 592 . 1 . 1 163 163 ILE N N 15 121.015 0.2 . 1 . . . . . 163 I N . 27427 1 593 . 1 . 1 164 164 ALA H H 1 9.013 0.03 . 1 . . . . . 164 A HN . 27427 1 594 . 1 . 1 164 164 ALA N N 15 126.074 0.2 . 1 . . . . . 164 A N . 27427 1 595 . 1 . 1 165 165 ILE H H 1 8.196 0.03 . 1 . . . . . 165 I HN . 27427 1 596 . 1 . 1 165 165 ILE HD11 H 1 -0.161 0.03 . 2 . . . . . 165 I HD11 . 27427 1 597 . 1 . 1 165 165 ILE HD12 H 1 -0.161 0.03 . 2 . . . . . 165 I HD11 . 27427 1 598 . 1 . 1 165 165 ILE HD13 H 1 -0.161 0.03 . 2 . . . . . 165 I HD11 . 27427 1 599 . 1 . 1 165 165 ILE CB C 13 39.784 0.2 . 1 . . . . . 165 I CB . 27427 1 600 . 1 . 1 165 165 ILE CG1 C 13 27.305 0.2 . 1 . . . . . 165 I CG1 . 27427 1 601 . 1 . 1 165 165 ILE CD1 C 13 12.124 0.2 . 1 . . . . . 165 I CD1 . 27427 1 602 . 1 . 1 165 165 ILE N N 15 117.563 0.2 . 1 . . . . . 165 I N . 27427 1 603 . 1 . 1 166 166 TRP H H 1 9.671 0.03 . 1 . . . . . 166 W HN . 27427 1 604 . 1 . 1 166 166 TRP HE1 H 1 10.538 0.03 . 1 . . . . . 166 W HE1 . 27427 1 605 . 1 . 1 166 166 TRP N N 15 131.219 0.2 . 1 . . . . . 166 W N . 27427 1 606 . 1 . 1 166 166 TRP NE1 N 15 129.009 0.2 . 1 . . . . . 166 W NE1 . 27427 1 607 . 1 . 1 167 167 THR H H 1 9.547 0.03 . 1 . . . . . 167 T HN . 27427 1 608 . 1 . 1 167 167 THR N N 15 115.165 0.2 . 1 . . . . . 167 T N . 27427 1 609 . 1 . 1 168 168 THR H H 1 8.697 0.03 . 1 . . . . . 168 T HN . 27427 1 610 . 1 . 1 168 168 THR N N 15 117.232 0.2 . 1 . . . . . 168 T N . 27427 1 611 . 1 . 1 169 169 GLU H H 1 8.251 0.03 . 1 . . . . . 169 E HN . 27427 1 612 . 1 . 1 169 169 GLU N N 15 120.512 0.2 . 1 . . . . . 169 E N . 27427 1 613 . 1 . 1 170 170 CYS H H 1 9.337 0.03 . 1 . . . . . 170 C HN . 27427 1 614 . 1 . 1 170 170 CYS N N 15 129.390 0.2 . 1 . . . . . 170 C N . 27427 1 615 . 1 . 1 171 171 GLU H H 1 9.000 0.03 . 1 . . . . . 171 E HN . 27427 1 616 . 1 . 1 171 171 GLU N N 15 116.415 0.2 . 1 . . . . . 171 E N . 27427 1 617 . 1 . 1 172 172 ASN H H 1 7.013 0.03 . 1 . . . . . 172 N HN . 27427 1 618 . 1 . 1 172 172 ASN N N 15 120.504 0.2 . 1 . . . . . 172 N N . 27427 1 619 . 1 . 1 173 173 ARG H H 1 7.655 0.03 . 1 . . . . . 173 R HN . 27427 1 620 . 1 . 1 173 173 ARG N N 15 123.393 0.2 . 1 . . . . . 173 R N . 27427 1 621 . 1 . 1 174 174 GLU H H 1 8.709 0.03 . 1 . . . . . 174 E HN . 27427 1 622 . 1 . 1 174 174 GLU N N 15 120.927 0.2 . 1 . . . . . 174 E N . 27427 1 623 . 1 . 1 175 175 ALA H H 1 7.126 0.03 . 1 . . . . . 175 A HN . 27427 1 624 . 1 . 1 175 175 ALA N N 15 121.897 0.2 . 1 . . . . . 175 A N . 27427 1 625 . 1 . 1 176 176 VAL H H 1 8.069 0.03 . 1 . . . . . 176 V HN . 27427 1 626 . 1 . 1 176 176 VAL HG11 H 1 -0.636 0.03 . 2 . . . . . 176 V HG11 . 27427 1 627 . 1 . 1 176 176 VAL HG12 H 1 -0.636 0.03 . 2 . . . . . 176 V HG11 . 27427 1 628 . 1 . 1 176 176 VAL HG13 H 1 -0.636 0.03 . 2 . . . . . 176 V HG11 . 27427 1 629 . 1 . 1 176 176 VAL HG21 H 1 0.296 0.03 . 2 . . . . . 176 V HG21 . 27427 1 630 . 1 . 1 176 176 VAL HG22 H 1 0.296 0.03 . 2 . . . . . 176 V HG21 . 27427 1 631 . 1 . 1 176 176 VAL HG23 H 1 0.296 0.03 . 2 . . . . . 176 V HG21 . 27427 1 632 . 1 . 1 176 176 VAL CA C 13 67.423 0.2 . 1 . . . . . 176 V CA . 27427 1 633 . 1 . 1 176 176 VAL CB C 13 31.208 0.2 . 1 . . . . . 176 V CB . 27427 1 634 . 1 . 1 176 176 VAL CG1 C 13 20.499 0.2 . 2 . . . . . 176 V CG1 . 27427 1 635 . 1 . 1 176 176 VAL CG2 C 13 23.522 0.2 . 2 . . . . . 176 V CG2 . 27427 1 636 . 1 . 1 176 176 VAL N N 15 116.086 0.2 . 1 . . . . . 176 V N . 27427 1 637 . 1 . 1 177 177 THR H H 1 7.803 0.03 . 1 . . . . . 177 T HN . 27427 1 638 . 1 . 1 177 177 THR N N 15 112.325 0.2 . 1 . . . . . 177 T N . 27427 1 639 . 1 . 1 178 178 HIS H H 1 7.404 0.03 . 1 . . . . . 178 H HN . 27427 1 640 . 1 . 1 178 178 HIS N N 15 123.635 0.2 . 1 . . . . . 178 H N . 27427 1 641 . 1 . 1 179 179 ILE H H 1 8.073 0.03 . 1 . . . . . 179 I HN . 27427 1 642 . 1 . 1 179 179 ILE HD11 H 1 0.452 0.03 . 2 . . . . . 179 I HD11 . 27427 1 643 . 1 . 1 179 179 ILE HD12 H 1 0.452 0.03 . 2 . . . . . 179 I HD11 . 27427 1 644 . 1 . 1 179 179 ILE HD13 H 1 0.452 0.03 . 2 . . . . . 179 I HD11 . 27427 1 645 . 1 . 1 179 179 ILE CA C 13 64.306 0.2 . 1 . . . . . 179 I CA . 27427 1 646 . 1 . 1 179 179 ILE CB C 13 37.428 0.2 . 1 . . . . . 179 I CB . 27427 1 647 . 1 . 1 179 179 ILE CG1 C 13 28.527 0.2 . 1 . . . . . 179 I CG1 . 27427 1 648 . 1 . 1 179 179 ILE CD1 C 13 13.936 0.2 . 1 . . . . . 179 I CD1 . 27427 1 649 . 1 . 1 179 179 ILE N N 15 116.751 0.2 . 1 . . . . . 179 I N . 27427 1 650 . 1 . 1 180 180 GLY H H 1 7.485 0.03 . 1 . . . . . 180 G HN . 27427 1 651 . 1 . 1 180 180 GLY N N 15 104.573 0.2 . 1 . . . . . 180 G N . 27427 1 652 . 1 . 1 181 181 ARG H H 1 7.581 0.03 . 1 . . . . . 181 R HN . 27427 1 653 . 1 . 1 181 181 ARG N N 15 120.789 0.2 . 1 . . . . . 181 R N . 27427 1 654 . 1 . 1 182 182 VAL H H 1 7.988 0.03 . 1 . . . . . 182 V HN . 27427 1 655 . 1 . 1 182 182 VAL HG11 H 1 0.509 0.03 . 2 . . . . . 182 V HG11 . 27427 1 656 . 1 . 1 182 182 VAL HG12 H 1 0.509 0.03 . 2 . . . . . 182 V HG11 . 27427 1 657 . 1 . 1 182 182 VAL HG13 H 1 0.509 0.03 . 2 . . . . . 182 V HG11 . 27427 1 658 . 1 . 1 182 182 VAL HG21 H 1 0.519 0.03 . 2 . . . . . 182 V HG21 . 27427 1 659 . 1 . 1 182 182 VAL HG22 H 1 0.519 0.03 . 2 . . . . . 182 V HG21 . 27427 1 660 . 1 . 1 182 182 VAL HG23 H 1 0.519 0.03 . 2 . . . . . 182 V HG21 . 27427 1 661 . 1 . 1 182 182 VAL CA C 13 65.809 0.2 . 1 . . . . . 182 V CA . 27427 1 662 . 1 . 1 182 182 VAL CB C 13 31.164 0.2 . 1 . . . . . 182 V CB . 27427 1 663 . 1 . 1 182 182 VAL CG1 C 13 22.286 0.2 . 2 . . . . . 182 V CG1 . 27427 1 664 . 1 . 1 182 182 VAL CG2 C 13 20.791 0.2 . 2 . . . . . 182 V CG2 . 27427 1 665 . 1 . 1 182 182 VAL N N 15 120.399 0.2 . 1 . . . . . 182 V N . 27427 1 666 . 1 . 1 183 183 TYR H H 1 8.386 0.03 . 1 . . . . . 183 Y HN . 27427 1 667 . 1 . 1 183 183 TYR N N 15 121.087 0.2 . 1 . . . . . 183 Y N . 27427 1 668 . 1 . 1 184 184 LYS H H 1 7.865 0.03 . 1 . . . . . 184 K HN . 27427 1 669 . 1 . 1 184 184 LYS N N 15 116.874 0.2 . 1 . . . . . 184 K N . 27427 1 670 . 1 . 1 185 185 GLU H H 1 7.379 0.03 . 1 . . . . . 185 E HN . 27427 1 671 . 1 . 1 185 185 GLU N N 15 117.835 0.2 . 1 . . . . . 185 E N . 27427 1 672 . 1 . 1 186 186 ARG H H 1 8.502 0.03 . 1 . . . . . 186 R HN . 27427 1 673 . 1 . 1 186 186 ARG N N 15 121.801 0.2 . 1 . . . . . 186 R N . 27427 1 674 . 1 . 1 187 187 LEU H H 1 7.598 0.03 . 1 . . . . . 187 L HN . 27427 1 675 . 1 . 1 187 187 LEU HD11 H 1 0.148 0.03 . 2 . . . . . 187 L HD11 . 27427 1 676 . 1 . 1 187 187 LEU HD12 H 1 0.148 0.03 . 2 . . . . . 187 L HD11 . 27427 1 677 . 1 . 1 187 187 LEU HD13 H 1 0.148 0.03 . 2 . . . . . 187 L HD11 . 27427 1 678 . 1 . 1 187 187 LEU HD21 H 1 -0.246 0.03 . 2 . . . . . 187 L HD21 . 27427 1 679 . 1 . 1 187 187 LEU HD22 H 1 -0.246 0.03 . 2 . . . . . 187 L HD21 . 27427 1 680 . 1 . 1 187 187 LEU HD23 H 1 -0.246 0.03 . 2 . . . . . 187 L HD21 . 27427 1 681 . 1 . 1 187 187 LEU CA C 13 55.861 0.2 . 1 . . . . . 187 L CA . 27427 1 682 . 1 . 1 187 187 LEU CB C 13 41.025 0.2 . 1 . . . . . 187 L CB . 27427 1 683 . 1 . 1 187 187 LEU CG C 13 26.147 0.2 . 1 . . . . . 187 L CG . 27427 1 684 . 1 . 1 187 187 LEU CD1 C 13 21.664 0.2 . 2 . . . . . 187 L CD1 . 27427 1 685 . 1 . 1 187 187 LEU CD2 C 13 24.030 0.2 . 2 . . . . . 187 L CD2 . 27427 1 686 . 1 . 1 187 187 LEU N N 15 117.000 0.2 . 1 . . . . . 187 L N . 27427 1 687 . 1 . 1 188 188 GLY H H 1 7.427 0.03 . 1 . . . . . 188 G HN . 27427 1 688 . 1 . 1 188 188 GLY N N 15 107.080 0.2 . 1 . . . . . 188 G N . 27427 1 689 . 1 . 1 189 189 LEU H H 1 6.838 0.03 . 1 . . . . . 189 L HN . 27427 1 690 . 1 . 1 189 189 LEU HD11 H 1 0.398 0.03 . 2 . . . . . 189 L HD11 . 27427 1 691 . 1 . 1 189 189 LEU HD12 H 1 0.398 0.03 . 2 . . . . . 189 L HD11 . 27427 1 692 . 1 . 1 189 189 LEU HD13 H 1 0.398 0.03 . 2 . . . . . 189 L HD11 . 27427 1 693 . 1 . 1 189 189 LEU HD21 H 1 0.430 0.03 . 2 . . . . . 189 L HD21 . 27427 1 694 . 1 . 1 189 189 LEU HD22 H 1 0.430 0.03 . 2 . . . . . 189 L HD21 . 27427 1 695 . 1 . 1 189 189 LEU HD23 H 1 0.430 0.03 . 2 . . . . . 189 L HD21 . 27427 1 696 . 1 . 1 189 189 LEU CA C 13 52.501 0.2 . 1 . . . . . 189 L CA . 27427 1 697 . 1 . 1 189 189 LEU CB C 13 39.716 0.2 . 1 . . . . . 189 L CB . 27427 1 698 . 1 . 1 189 189 LEU CG C 13 25.710 0.2 . 1 . . . . . 189 L CG . 27427 1 699 . 1 . 1 189 189 LEU CD1 C 13 25.444 0.2 . 2 . . . . . 189 L CD1 . 27427 1 700 . 1 . 1 189 189 LEU CD2 C 13 22.674 0.2 . 2 . . . . . 189 L CD2 . 27427 1 701 . 1 . 1 189 189 LEU N N 15 118.988 0.2 . 1 . . . . . 189 L N . 27427 1 702 . 1 . 1 192 192 LYS H H 1 7.659 0.03 . 1 . . . . . 192 K HN . 27427 1 703 . 1 . 1 192 192 LYS N N 15 112.332 0.2 . 1 . . . . . 192 K N . 27427 1 704 . 1 . 1 193 193 ILE H H 1 7.470 0.03 . 1 . . . . . 193 I HN . 27427 1 705 . 1 . 1 193 193 ILE HD11 H 1 0.631 0.03 . 2 . . . . . 193 I HD11 . 27427 1 706 . 1 . 1 193 193 ILE HD12 H 1 0.631 0.03 . 2 . . . . . 193 I HD11 . 27427 1 707 . 1 . 1 193 193 ILE HD13 H 1 0.631 0.03 . 2 . . . . . 193 I HD11 . 27427 1 708 . 1 . 1 193 193 ILE CA C 13 59.415 0.2 . 1 . . . . . 193 I CA . 27427 1 709 . 1 . 1 193 193 ILE CB C 13 35.766 0.2 . 1 . . . . . 193 I CB . 27427 1 710 . 1 . 1 193 193 ILE CG1 C 13 26.254 0.2 . 1 . . . . . 193 I CG1 . 27427 1 711 . 1 . 1 193 193 ILE CD1 C 13 10.859 0.2 . 1 . . . . . 193 I CD1 . 27427 1 712 . 1 . 1 193 193 ILE N N 15 122.499 0.2 . 1 . . . . . 193 I N . 27427 1 713 . 1 . 1 194 194 VAL H H 1 7.944 0.03 . 1 . . . . . 194 V HN . 27427 1 714 . 1 . 1 194 194 VAL HG11 H 1 0.654 0.03 . 2 . . . . . 194 V HG11 . 27427 1 715 . 1 . 1 194 194 VAL HG12 H 1 0.654 0.03 . 2 . . . . . 194 V HG11 . 27427 1 716 . 1 . 1 194 194 VAL HG13 H 1 0.654 0.03 . 2 . . . . . 194 V HG11 . 27427 1 717 . 1 . 1 194 194 VAL CA C 13 60.825 0.2 . 1 . . . . . 194 V CA . 27427 1 718 . 1 . 1 194 194 VAL CB C 13 31.997 0.2 . 1 . . . . . 194 V CB . 27427 1 719 . 1 . 1 194 194 VAL CG1 C 13 21.107 0.2 . 2 . . . . . 194 V CG1 . 27427 1 720 . 1 . 1 194 194 VAL N N 15 126.517 0.2 . 1 . . . . . 194 V N . 27427 1 721 . 1 . 1 195 195 ILE H H 1 8.859 0.03 . 1 . . . . . 195 I HN . 27427 1 722 . 1 . 1 195 195 ILE HD11 H 1 0.277 0.03 . 2 . . . . . 195 I HD11 . 27427 1 723 . 1 . 1 195 195 ILE HD12 H 1 0.277 0.03 . 2 . . . . . 195 I HD11 . 27427 1 724 . 1 . 1 195 195 ILE HD13 H 1 0.277 0.03 . 2 . . . . . 195 I HD11 . 27427 1 725 . 1 . 1 195 195 ILE CA C 13 59.768 0.2 . 1 . . . . . 195 I CA . 27427 1 726 . 1 . 1 195 195 ILE CB C 13 39.348 0.2 . 1 . . . . . 195 I CB . 27427 1 727 . 1 . 1 195 195 ILE CG1 C 13 25.560 0.2 . 1 . . . . . 195 I CG1 . 27427 1 728 . 1 . 1 195 195 ILE CD1 C 13 12.980 0.2 . 1 . . . . . 195 I CD1 . 27427 1 729 . 1 . 1 195 195 ILE N N 15 123.342 0.2 . 1 . . . . . 195 I N . 27427 1 730 . 1 . 1 196 196 GLY H H 1 8.170 0.03 . 1 . . . . . 196 G HN . 27427 1 731 . 1 . 1 196 196 GLY N N 15 108.799 0.2 . 1 . . . . . 196 G N . 27427 1 732 . 1 . 1 197 197 TYR H H 1 8.023 0.03 . 1 . . . . . 197 Y HN . 27427 1 733 . 1 . 1 197 197 TYR N N 15 124.110 0.2 . 1 . . . . . 197 Y N . 27427 1 734 . 1 . 1 198 198 GLN H H 1 7.548 0.03 . 1 . . . . . 198 Q HN . 27427 1 735 . 1 . 1 198 198 GLN N N 15 125.353 0.2 . 1 . . . . . 198 Q N . 27427 1 736 . 1 . 1 199 199 SER H H 1 9.028 0.03 . 1 . . . . . 199 S HN . 27427 1 737 . 1 . 1 199 199 SER N N 15 120.412 0.2 . 1 . . . . . 199 S N . 27427 1 738 . 1 . 1 200 200 HIS H H 1 8.124 0.03 . 1 . . . . . 200 H HN . 27427 1 739 . 1 . 1 200 200 HIS N N 15 126.743 0.2 . 1 . . . . . 200 H N . 27427 1 740 . 1 . 1 201 201 ALA H H 1 8.057 0.03 . 1 . . . . . 201 A HN . 27427 1 741 . 1 . 1 201 201 ALA N N 15 121.694 0.2 . 1 . . . . . 201 A N . 27427 1 742 . 1 . 1 202 202 ASP H H 1 7.184 0.03 . 1 . . . . . 202 D HN . 27427 1 743 . 1 . 1 202 202 ASP N N 15 118.039 0.2 . 1 . . . . . 202 D N . 27427 1 744 . 1 . 1 203 203 THR H H 1 7.365 0.03 . 1 . . . . . 203 T HN . 27427 1 745 . 1 . 1 203 203 THR N N 15 114.630 0.2 . 1 . . . . . 203 T N . 27427 1 746 . 1 . 1 204 204 ALA H H 1 7.322 0.03 . 1 . . . . . 204 A HN . 27427 1 747 . 1 . 1 204 204 ALA N N 15 123.399 0.2 . 1 . . . . . 204 A N . 27427 1 748 . 1 . 1 205 205 THR H H 1 7.286 0.03 . 1 . . . . . 205 T HN . 27427 1 749 . 1 . 1 205 205 THR N N 15 110.283 0.2 . 1 . . . . . 205 T N . 27427 1 750 . 1 . 1 206 206 LYS H H 1 7.790 0.03 . 1 . . . . . 206 K HN . 27427 1 751 . 1 . 1 206 206 LYS N N 15 123.041 0.2 . 1 . . . . . 206 K N . 27427 1 752 . 1 . 1 208 208 GLY H H 1 8.308 0.03 . 1 . . . . . 208 G HN . 27427 1 753 . 1 . 1 208 208 GLY N N 15 111.900 0.2 . 1 . . . . . 208 G N . 27427 1 754 . 1 . 1 210 210 THR H H 1 7.943 0.03 . 1 . . . . . 210 T HN . 27427 1 755 . 1 . 1 210 210 THR N N 15 115.749 0.2 . 1 . . . . . 210 T N . 27427 1 756 . 1 . 1 211 211 THR H H 1 7.956 0.03 . 1 . . . . . 211 T HN . 27427 1 757 . 1 . 1 211 211 THR N N 15 119.408 0.2 . 1 . . . . . 211 T N . 27427 1 758 . 1 . 1 212 212 LYS H H 1 8.170 0.03 . 1 . . . . . 212 K HN . 27427 1 759 . 1 . 1 212 212 LYS N N 15 125.720 0.2 . 1 . . . . . 212 K N . 27427 1 760 . 1 . 1 213 213 ASN H H 1 8.318 0.03 . 1 . . . . . 213 N HN . 27427 1 761 . 1 . 1 213 213 ASN N N 15 120.675 0.2 . 1 . . . . . 213 N N . 27427 1 762 . 1 . 1 214 214 ARG H H 1 8.830 0.03 . 1 . . . . . 214 R HN . 27427 1 763 . 1 . 1 214 214 ARG N N 15 123.989 0.2 . 1 . . . . . 214 R N . 27427 1 764 . 1 . 1 215 215 PHE H H 1 7.167 0.03 . 1 . . . . . 215 F HN . 27427 1 765 . 1 . 1 215 215 PHE N N 15 112.906 0.2 . 1 . . . . . 215 F N . 27427 1 766 . 1 . 1 216 216 VAL H H 1 8.330 0.03 . 1 . . . . . 216 V HN . 27427 1 767 . 1 . 1 216 216 VAL HG11 H 1 0.755 0.03 . 2 . . . . . 216 V HG11 . 27427 1 768 . 1 . 1 216 216 VAL HG12 H 1 0.755 0.03 . 2 . . . . . 216 V HG11 . 27427 1 769 . 1 . 1 216 216 VAL HG13 H 1 0.755 0.03 . 2 . . . . . 216 V HG11 . 27427 1 770 . 1 . 1 216 216 VAL HG21 H 1 0.662 0.03 . 2 . . . . . 216 V HG21 . 27427 1 771 . 1 . 1 216 216 VAL HG22 H 1 0.662 0.03 . 2 . . . . . 216 V HG21 . 27427 1 772 . 1 . 1 216 216 VAL HG23 H 1 0.662 0.03 . 2 . . . . . 216 V HG21 . 27427 1 773 . 1 . 1 216 216 VAL CA C 13 60.049 0.2 . 1 . . . . . 216 V CA . 27427 1 774 . 1 . 1 216 216 VAL CB C 13 35.397 0.2 . 1 . . . . . 216 V CB . 27427 1 775 . 1 . 1 216 216 VAL CG1 C 13 21.899 0.2 . 2 . . . . . 216 V CG1 . 27427 1 776 . 1 . 1 216 216 VAL CG2 C 13 18.597 0.2 . 2 . . . . . 216 V CG2 . 27427 1 777 . 1 . 1 216 216 VAL N N 15 116.307 0.2 . 1 . . . . . 216 V N . 27427 1 778 . 1 . 1 217 217 VAL H H 1 8.453 0.03 . 1 . . . . . 217 V HN . 27427 1 779 . 1 . 1 217 217 VAL HG11 H 1 0.437 0.03 . 2 . . . . . 217 V HG11 . 27427 1 780 . 1 . 1 217 217 VAL HG12 H 1 0.437 0.03 . 2 . . . . . 217 V HG11 . 27427 1 781 . 1 . 1 217 217 VAL HG13 H 1 0.437 0.03 . 2 . . . . . 217 V HG11 . 27427 1 782 . 1 . 1 217 217 VAL HG21 H 1 0.240 0.03 . 2 . . . . . 217 V HG21 . 27427 1 783 . 1 . 1 217 217 VAL HG22 H 1 0.240 0.03 . 2 . . . . . 217 V HG21 . 27427 1 784 . 1 . 1 217 217 VAL HG23 H 1 0.240 0.03 . 2 . . . . . 217 V HG21 . 27427 1 785 . 1 . 1 217 217 VAL CA C 13 63.016 0.2 . 1 . . . . . 217 V CA . 27427 1 786 . 1 . 1 217 217 VAL CB C 13 33.957 0.2 . 1 . . . . . 217 V CB . 27427 1 787 . 1 . 1 217 217 VAL CG1 C 13 21.709 0.2 . 2 . . . . . 217 V CG1 . 27427 1 788 . 1 . 1 217 217 VAL CG2 C 13 19.829 0.2 . 2 . . . . . 217 V CG2 . 27427 1 789 . 1 . 1 217 217 VAL N N 15 124.894 0.2 . 1 . . . . . 217 V N . 27427 1 stop_ save_