data_51783 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51783 _Entry.Title ; Chemical Shift Assignments of Retinal Guanylyl Cyclase Activating Protein 5 (GCAP5) with a Mutation (R22A) that Abolishes Dimerization and Enhances Cyclase Activation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-10 _Entry.Accession_date 2023-01-10 _Entry.Last_release_date 2023-01-11 _Entry.Original_release_date 2023-01-11 _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 Diana Cudia . L. . . 51783 2 Effibe Ahoulou . O. . . 51783 3 James Ames . B. . . 51783 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51783 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 678 51783 '15N chemical shifts' 191 51783 '1H chemical shifts' 965 51783 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 2 . . 2023-06-22 2023-01-10 update BMRB 'update entry citation' 51783 1 . . 2023-05-24 2023-01-10 original author 'original release' 51783 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51784 'Metal-Free Retinal Guanylyl Cyclase Activating Protein 5 (GCAP5), wild type' 51783 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51783 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37129703 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of retinal guanylyl cyclase activating protein 5 (GCAP5) with a mutation (R22A) that abolishes dimerization and enhances cyclase activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 115 _Citation.Page_last 119 _Citation.Year 2023 _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 Diana Cudia . L. . . 51783 1 2 Effibe Ahoulou . O. . . 51783 1 3 James Ames . B. . . 51783 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51783 _Assembly.ID 1 _Assembly.Name 'Myristoylated GCAP5 (R22A) mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'GCAP5 R22A' 1 $entity_1 . . yes native no no . . . 51783 1 2 'myristic acid' 2 $entity_MYR . . no native no no . . . 51783 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 CYS 2 2 SG . 2 . 2 MYR 1 1 CO . . . . . . . . . . . . 51783 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51783 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MGDSSSMSATELSACKCHQW YAKFMTECPSGQLTFYEFKK FFGLKNLSEKSNAYVNTMFK TFDIDDDGCIDFMEYVAALS LVLKGGVQQKLRWYFKLFDM DGSGCIDKDELLLIFKAVQA INGAEPEISAEDLADIVFNK IDVNGDGELSLEEFMEGISA DEKISEMLTQSLDLTRIVSN IYNDSYIEQEAEIIEDQA ; _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 198 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation R22A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51783 1 2 . GLY . 51783 1 3 . ASP . 51783 1 4 . SER . 51783 1 5 . SER . 51783 1 6 . SER . 51783 1 7 . MET . 51783 1 8 . SER . 51783 1 9 . ALA . 51783 1 10 . THR . 51783 1 11 . GLU . 51783 1 12 . LEU . 51783 1 13 . SER . 51783 1 14 . ALA . 51783 1 15 . CYS . 51783 1 16 . LYS . 51783 1 17 . CYS . 51783 1 18 . HIS . 51783 1 19 . GLN . 51783 1 20 . TRP . 51783 1 21 . TYR . 51783 1 22 . ALA . 51783 1 23 . LYS . 51783 1 24 . PHE . 51783 1 25 . MET . 51783 1 26 . THR . 51783 1 27 . GLU . 51783 1 28 . CYS . 51783 1 29 . PRO . 51783 1 30 . SER . 51783 1 31 . GLY . 51783 1 32 . GLN . 51783 1 33 . LEU . 51783 1 34 . THR . 51783 1 35 . PHE . 51783 1 36 . TYR . 51783 1 37 . GLU . 51783 1 38 . PHE . 51783 1 39 . LYS . 51783 1 40 . LYS . 51783 1 41 . PHE . 51783 1 42 . PHE . 51783 1 43 . GLY . 51783 1 44 . LEU . 51783 1 45 . LYS . 51783 1 46 . ASN . 51783 1 47 . LEU . 51783 1 48 . SER . 51783 1 49 . GLU . 51783 1 50 . LYS . 51783 1 51 . SER . 51783 1 52 . ASN . 51783 1 53 . ALA . 51783 1 54 . TYR . 51783 1 55 . VAL . 51783 1 56 . ASN . 51783 1 57 . THR . 51783 1 58 . MET . 51783 1 59 . PHE . 51783 1 60 . LYS . 51783 1 61 . THR . 51783 1 62 . PHE . 51783 1 63 . ASP . 51783 1 64 . ILE . 51783 1 65 . ASP . 51783 1 66 . ASP . 51783 1 67 . ASP . 51783 1 68 . GLY . 51783 1 69 . CYS . 51783 1 70 . ILE . 51783 1 71 . ASP . 51783 1 72 . PHE . 51783 1 73 . MET . 51783 1 74 . GLU . 51783 1 75 . TYR . 51783 1 76 . VAL . 51783 1 77 . ALA . 51783 1 78 . ALA . 51783 1 79 . LEU . 51783 1 80 . SER . 51783 1 81 . LEU . 51783 1 82 . VAL . 51783 1 83 . LEU . 51783 1 84 . LYS . 51783 1 85 . GLY . 51783 1 86 . GLY . 51783 1 87 . VAL . 51783 1 88 . GLN . 51783 1 89 . GLN . 51783 1 90 . LYS . 51783 1 91 . LEU . 51783 1 92 . ARG . 51783 1 93 . TRP . 51783 1 94 . TYR . 51783 1 95 . PHE . 51783 1 96 . LYS . 51783 1 97 . LEU . 51783 1 98 . PHE . 51783 1 99 . ASP . 51783 1 100 . MET . 51783 1 101 . ASP . 51783 1 102 . GLY . 51783 1 103 . SER . 51783 1 104 . GLY . 51783 1 105 . CYS . 51783 1 106 . ILE . 51783 1 107 . ASP . 51783 1 108 . LYS . 51783 1 109 . ASP . 51783 1 110 . GLU . 51783 1 111 . LEU . 51783 1 112 . LEU . 51783 1 113 . LEU . 51783 1 114 . ILE . 51783 1 115 . PHE . 51783 1 116 . LYS . 51783 1 117 . ALA . 51783 1 118 . VAL . 51783 1 119 . GLN . 51783 1 120 . ALA . 51783 1 121 . ILE . 51783 1 122 . ASN . 51783 1 123 . GLY . 51783 1 124 . ALA . 51783 1 125 . GLU . 51783 1 126 . PRO . 51783 1 127 . GLU . 51783 1 128 . ILE . 51783 1 129 . SER . 51783 1 130 . ALA . 51783 1 131 . GLU . 51783 1 132 . ASP . 51783 1 133 . LEU . 51783 1 134 . ALA . 51783 1 135 . ASP . 51783 1 136 . ILE . 51783 1 137 . VAL . 51783 1 138 . PHE . 51783 1 139 . ASN . 51783 1 140 . LYS . 51783 1 141 . ILE . 51783 1 142 . ASP . 51783 1 143 . VAL . 51783 1 144 . ASN . 51783 1 145 . GLY . 51783 1 146 . ASP . 51783 1 147 . GLY . 51783 1 148 . GLU . 51783 1 149 . LEU . 51783 1 150 . SER . 51783 1 151 . LEU . 51783 1 152 . GLU . 51783 1 153 . GLU . 51783 1 154 . PHE . 51783 1 155 . MET . 51783 1 156 . GLU . 51783 1 157 . GLY . 51783 1 158 . ILE . 51783 1 159 . SER . 51783 1 160 . ALA . 51783 1 161 . ASP . 51783 1 162 . GLU . 51783 1 163 . LYS . 51783 1 164 . ILE . 51783 1 165 . SER . 51783 1 166 . GLU . 51783 1 167 . MET . 51783 1 168 . LEU . 51783 1 169 . THR . 51783 1 170 . GLN . 51783 1 171 . SER . 51783 1 172 . LEU . 51783 1 173 . ASP . 51783 1 174 . LEU . 51783 1 175 . THR . 51783 1 176 . ARG . 51783 1 177 . ILE . 51783 1 178 . VAL . 51783 1 179 . SER . 51783 1 180 . ASN . 51783 1 181 . ILE . 51783 1 182 . TYR . 51783 1 183 . ASN . 51783 1 184 . ASP . 51783 1 185 . SER . 51783 1 186 . TYR . 51783 1 187 . ILE . 51783 1 188 . GLU . 51783 1 189 . GLN . 51783 1 190 . GLU . 51783 1 191 . ALA . 51783 1 192 . GLU . 51783 1 193 . ILE . 51783 1 194 . ILE . 51783 1 195 . GLU . 51783 1 196 . ASP . 51783 1 197 . GLN . 51783 1 198 . ALA . 51783 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 51783 1 . GLY 2 2 51783 1 . ASP 3 3 51783 1 . SER 4 4 51783 1 . SER 5 5 51783 1 . SER 6 6 51783 1 . MET 7 7 51783 1 . SER 8 8 51783 1 . ALA 9 9 51783 1 . THR 10 10 51783 1 . GLU 11 11 51783 1 . LEU 12 12 51783 1 . SER 13 13 51783 1 . ALA 14 14 51783 1 . CYS 15 15 51783 1 . LYS 16 16 51783 1 . CYS 17 17 51783 1 . HIS 18 18 51783 1 . GLN 19 19 51783 1 . TRP 20 20 51783 1 . TYR 21 21 51783 1 . ALA 22 22 51783 1 . LYS 23 23 51783 1 . PHE 24 24 51783 1 . MET 25 25 51783 1 . THR 26 26 51783 1 . GLU 27 27 51783 1 . CYS 28 28 51783 1 . PRO 29 29 51783 1 . SER 30 30 51783 1 . GLY 31 31 51783 1 . GLN 32 32 51783 1 . LEU 33 33 51783 1 . THR 34 34 51783 1 . PHE 35 35 51783 1 . TYR 36 36 51783 1 . GLU 37 37 51783 1 . PHE 38 38 51783 1 . LYS 39 39 51783 1 . LYS 40 40 51783 1 . PHE 41 41 51783 1 . PHE 42 42 51783 1 . GLY 43 43 51783 1 . LEU 44 44 51783 1 . LYS 45 45 51783 1 . ASN 46 46 51783 1 . LEU 47 47 51783 1 . SER 48 48 51783 1 . GLU 49 49 51783 1 . LYS 50 50 51783 1 . SER 51 51 51783 1 . ASN 52 52 51783 1 . ALA 53 53 51783 1 . TYR 54 54 51783 1 . VAL 55 55 51783 1 . ASN 56 56 51783 1 . THR 57 57 51783 1 . MET 58 58 51783 1 . PHE 59 59 51783 1 . LYS 60 60 51783 1 . THR 61 61 51783 1 . PHE 62 62 51783 1 . ASP 63 63 51783 1 . ILE 64 64 51783 1 . ASP 65 65 51783 1 . ASP 66 66 51783 1 . ASP 67 67 51783 1 . GLY 68 68 51783 1 . CYS 69 69 51783 1 . ILE 70 70 51783 1 . ASP 71 71 51783 1 . PHE 72 72 51783 1 . MET 73 73 51783 1 . GLU 74 74 51783 1 . TYR 75 75 51783 1 . VAL 76 76 51783 1 . ALA 77 77 51783 1 . ALA 78 78 51783 1 . LEU 79 79 51783 1 . SER 80 80 51783 1 . LEU 81 81 51783 1 . VAL 82 82 51783 1 . LEU 83 83 51783 1 . LYS 84 84 51783 1 . GLY 85 85 51783 1 . GLY 86 86 51783 1 . VAL 87 87 51783 1 . GLN 88 88 51783 1 . GLN 89 89 51783 1 . LYS 90 90 51783 1 . LEU 91 91 51783 1 . ARG 92 92 51783 1 . TRP 93 93 51783 1 . TYR 94 94 51783 1 . PHE 95 95 51783 1 . LYS 96 96 51783 1 . LEU 97 97 51783 1 . PHE 98 98 51783 1 . ASP 99 99 51783 1 . MET 100 100 51783 1 . ASP 101 101 51783 1 . GLY 102 102 51783 1 . SER 103 103 51783 1 . GLY 104 104 51783 1 . CYS 105 105 51783 1 . ILE 106 106 51783 1 . ASP 107 107 51783 1 . LYS 108 108 51783 1 . ASP 109 109 51783 1 . GLU 110 110 51783 1 . LEU 111 111 51783 1 . LEU 112 112 51783 1 . LEU 113 113 51783 1 . ILE 114 114 51783 1 . PHE 115 115 51783 1 . LYS 116 116 51783 1 . ALA 117 117 51783 1 . VAL 118 118 51783 1 . GLN 119 119 51783 1 . ALA 120 120 51783 1 . ILE 121 121 51783 1 . ASN 122 122 51783 1 . GLY 123 123 51783 1 . ALA 124 124 51783 1 . GLU 125 125 51783 1 . PRO 126 126 51783 1 . GLU 127 127 51783 1 . ILE 128 128 51783 1 . SER 129 129 51783 1 . ALA 130 130 51783 1 . GLU 131 131 51783 1 . ASP 132 132 51783 1 . LEU 133 133 51783 1 . ALA 134 134 51783 1 . ASP 135 135 51783 1 . ILE 136 136 51783 1 . VAL 137 137 51783 1 . PHE 138 138 51783 1 . ASN 139 139 51783 1 . LYS 140 140 51783 1 . ILE 141 141 51783 1 . ASP 142 142 51783 1 . VAL 143 143 51783 1 . ASN 144 144 51783 1 . GLY 145 145 51783 1 . ASP 146 146 51783 1 . GLY 147 147 51783 1 . GLU 148 148 51783 1 . LEU 149 149 51783 1 . SER 150 150 51783 1 . LEU 151 151 51783 1 . GLU 152 152 51783 1 . GLU 153 153 51783 1 . PHE 154 154 51783 1 . MET 155 155 51783 1 . GLU 156 156 51783 1 . GLY 157 157 51783 1 . ILE 158 158 51783 1 . SER 159 159 51783 1 . ALA 160 160 51783 1 . ASP 161 161 51783 1 . GLU 162 162 51783 1 . LYS 163 163 51783 1 . ILE 164 164 51783 1 . SER 165 165 51783 1 . GLU 166 166 51783 1 . MET 167 167 51783 1 . LEU 168 168 51783 1 . THR 169 169 51783 1 . GLN 170 170 51783 1 . SER 171 171 51783 1 . LEU 172 172 51783 1 . ASP 173 173 51783 1 . LEU 174 174 51783 1 . THR 175 175 51783 1 . ARG 176 176 51783 1 . ILE 177 177 51783 1 . VAL 178 178 51783 1 . SER 179 179 51783 1 . ASN 180 180 51783 1 . ILE 181 181 51783 1 . TYR 182 182 51783 1 . ASN 183 183 51783 1 . ASP 184 184 51783 1 . SER 185 185 51783 1 . TYR 186 186 51783 1 . ILE 187 187 51783 1 . GLU 188 188 51783 1 . GLN 189 189 51783 1 . GLU 190 190 51783 1 . ALA 191 191 51783 1 . GLU 192 192 51783 1 . ILE 193 193 51783 1 . ILE 194 194 51783 1 . GLU 195 195 51783 1 . ASP 196 196 51783 1 . GLN 197 197 51783 1 . ALA 198 198 51783 1 stop_ save_ save_entity_MYR _Entity.Sf_category entity _Entity.Sf_framecode entity_MYR _Entity.Entry_ID 51783 _Entity.ID 2 _Entity.BMRB_code MYR _Entity.Name entity_MYR _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MYR _Entity.Nonpolymer_comp_label $chem_comp_MYR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 228.371 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MYRISTIC ACID' BMRB 51783 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MYRISTIC ACID' BMRB 51783 2 MYR 'Three letter code' 51783 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MYR $chem_comp_MYR 51783 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51783 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7955 organism . 'Danio rerio' zebrafish . . Eukaryota Metazoa Danio rerio . . . . . . . . . . . . 'Brachydanio rerio' 51783 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51783 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET21 . . . 51783 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 51783 _Chem_comp.ID MYR _Chem_comp.Provenance PDB _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MYR _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all 44 _Chem_comp.Number_atoms_nh 16 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 51783 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 51783 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.385 51783 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.385 51783 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 51783 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 12.01 51783 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 51783 MYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 51783 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 51783 MYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 N N . . . . 6.748 . -0.653 . 3.744 . 6.963 -0.121 0.001 1 . 51783 MYR O1 O1 O1 O1 . O . . N 0 . . . 1 N N . . . . 6.160 . -1.704 . 3.756 . 6.889 -1.327 0.001 2 . 51783 MYR O2 O2 O2 O2 . O . . N 0 . . . 1 N Y . . . . 6.245 . 0.389 . 4.316 . 8.165 0.477 -0.004 3 . 51783 MYR C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 8.095 . -0.440 . 3.061 . 5.707 0.712 0.002 4 . 51783 MYR C3 C3 C3 C3 . C . . N 0 . . . 1 N N . . . . 9.236 . -1.264 . 3.627 . 4.485 -0.209 0.001 5 . 51783 MYR C4 C4 C4 C4 . C . . N 0 . . . 1 N N . . . . 9.578 . -0.958 . 5.081 . 3.210 0.637 0.001 6 . 51783 MYR C5 C5 C5 C5 . C . . N 0 . . . 1 N N . . . . 10.773 . -1.735 . 5.635 . 1.988 -0.284 0.001 7 . 51783 MYR C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 11.280 . -1.093 . 6.928 . 0.712 0.561 0.001 8 . 51783 MYR C7 C7 C7 C7 . C . . N 0 . . . 1 N N . . . . 12.782 . -1.170 . 7.157 . -0.510 -0.359 0.000 9 . 51783 MYR C8 C8 C8 C8 . C . . N 0 . . . 1 N N . . . . 13.305 . 0.171 . 7.667 . -1.785 0.486 0.001 10 . 51783 MYR C9 C9 C9 C9 . C . . N 0 . . . 1 N N . . . . 14.245 . 0.011 . 8.840 . -3.007 -0.435 -0.000 11 . 51783 MYR C10 C10 C10 C10 . C . . N 0 . . . 1 N N . . . . 14.363 . 1.259 . 9.699 . -4.282 0.410 0.000 12 . 51783 MYR C11 C11 C11 C11 . C . . N 0 . . . 1 N N . . . . 15.566 . 2.088 . 9.297 . -5.504 -0.510 -0.001 13 . 51783 MYR C12 C12 C12 C12 . C . . N 0 . . . 1 N N . . . . 15.613 . 3.507 . 9.835 . -6.780 0.335 -0.000 14 . 51783 MYR C13 C13 C13 C13 . C . . N 0 . . . 1 N N . . . . 16.815 . 4.232 . 9.253 . -8.002 -0.586 -0.001 15 . 51783 MYR C14 C14 C14 C14 . C . . N 0 . . . 1 N N . . . . 17.118 . 5.584 . 9.876 . -9.277 0.260 -0.001 16 . 51783 MYR HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 N Y . . . . 5.406 . 0.165 . 4.702 . 8.942 -0.098 -0.008 17 . 51783 MYR H21 H21 H21 H21 . H . . N 0 . . . 1 N N . . . . 7.983 . -0.697 . 1.997 . 5.688 1.340 0.892 18 . 51783 MYR H22 H22 H22 H22 . H . . N 0 . . . 1 N N . . . . 8.362 . 0.623 . 3.155 . 5.688 1.341 -0.888 19 . 51783 MYR H31 H31 H31 H31 . H . . N 0 . . . 1 N N . . . . 8.961 . -2.327 . 3.555 . 4.504 -0.837 -0.890 20 . 51783 MYR H32 H32 H32 H32 . H . . N 0 . . . 1 N N . . . . 10.131 . -1.075 . 3.017 . 4.504 -0.838 0.891 21 . 51783 MYR H41 H41 H41 H41 . H . . N 0 . . . 1 N N . . . . 9.801 . 0.116 . 5.162 . 3.191 1.265 0.891 22 . 51783 MYR H42 H42 H42 H42 . H . . N 0 . . . 1 N N . . . . 8.699 . -1.197 . 5.697 . 3.191 1.266 -0.888 23 . 51783 MYR H51 H51 H51 H51 . H . . N 0 . . . 1 N N . . . . 10.466 . -2.771 . 5.842 . 2.007 -0.913 -0.890 24 . 51783 MYR H52 H52 H52 H52 . H . . N 0 . . . 1 N N . . . . 11.582 . -1.734 . 4.890 . 2.007 -0.914 0.890 25 . 51783 MYR H61 H61 H61 H61 . H . . N 0 . . . 1 N N . . . . 10.994 . -0.031 . 6.913 . 0.693 1.190 0.891 26 . 51783 MYR H62 H62 H62 H62 . H . . N 0 . . . 1 N N . . . . 10.783 . -1.594 . 7.772 . 0.693 1.191 -0.889 27 . 51783 MYR H71 H71 H71 H71 . H . . N 0 . . . 1 N N . . . . 12.997 . -1.951 . 7.901 . -0.491 -0.988 -0.890 28 . 51783 MYR H72 H72 H72 H72 . H . . N 0 . . . 1 N N . . . . 13.282 . -1.419 . 6.209 . -0.491 -0.989 0.890 29 . 51783 MYR H81 H81 H81 H81 . H . . N 0 . . . 1 N N . . . . 13.842 . 0.675 . 6.850 . -1.804 1.114 0.891 30 . 51783 MYR H82 H82 H82 H82 . H . . N 0 . . . 1 N N . . . . 12.450 . 0.788 . 7.980 . -1.804 1.115 -0.889 31 . 51783 MYR H91 H91 H91 H91 . H . . N 0 . . . 1 N N . . . . 13.877 . -0.812 . 9.471 . -2.988 -1.063 -0.891 32 . 51783 MYR H92 H92 H92 H92 . H . . N 0 . . . 1 N N . . . . 15.244 . -0.241 . 8.454 . -2.988 -1.064 0.890 33 . 51783 MYR H101 H101 H101 H101 . H . . N 0 . . . 0 N N . . . . 13.453 . 1.865 . 9.579 . -4.301 1.039 0.891 34 . 51783 MYR H102 H102 H102 H102 . H . . N 0 . . . 0 N N . . . . 14.468 . 0.961 . 10.753 . -4.301 1.040 -0.890 35 . 51783 MYR H111 H111 H111 H111 . H . . N 0 . . . 0 N N . . . . 16.467 . 1.565 . 9.650 . -5.485 -1.139 -0.891 36 . 51783 MYR H112 H112 H112 H112 . H . . N 0 . . . 0 N N . . . . 15.582 . 2.145 . 8.199 . -5.485 -1.140 0.889 37 . 51783 MYR H121 H121 H121 H121 . H . . N 0 . . . 0 N N . . . . 14.692 . 4.037 . 9.550 . -6.799 0.964 0.890 38 . 51783 MYR H122 H122 H122 H122 . H . . N 0 . . . 0 N N . . . . 15.697 . 3.480 . 10.931 . -6.799 0.965 -0.890 39 . 51783 MYR H131 H131 H131 H131 . H . . N 0 . . . 0 N N . . . . 17.698 . 3.590 . 9.387 . -7.983 -1.214 -0.891 40 . 51783 MYR H132 H132 H132 H132 . H . . N 0 . . . 0 N N . . . . 16.633 . 4.385 . 8.179 . -7.983 -1.215 0.889 41 . 51783 MYR H141 H141 H141 H141 . H . . N 0 . . . 0 N N . . . . 18.000 . 6.024 . 9.388 . -9.296 0.889 -0.890 42 . 51783 MYR H142 H142 H142 H142 . H . . N 0 . . . 0 N N . . . . 16.254 . 6.251 . 9.742 . -10.148 -0.396 -0.001 43 . 51783 MYR H143 H143 H143 H143 . H . . N 0 . . . 0 N N . . . . 17.319 . 5.456 . 10.950 . -9.296 0.888 0.890 44 . 51783 MYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 N N 1 . 51783 MYR 2 . SING C1 O2 N N 2 . 51783 MYR 3 . SING C1 C2 N N 3 . 51783 MYR 4 . SING O2 HO2 N N 4 . 51783 MYR 5 . SING C2 C3 N N 5 . 51783 MYR 6 . SING C2 H21 N N 6 . 51783 MYR 7 . SING C2 H22 N N 7 . 51783 MYR 8 . SING C3 C4 N N 8 . 51783 MYR 9 . SING C3 H31 N N 9 . 51783 MYR 10 . SING C3 H32 N N 10 . 51783 MYR 11 . SING C4 C5 N N 11 . 51783 MYR 12 . SING C4 H41 N N 12 . 51783 MYR 13 . SING C4 H42 N N 13 . 51783 MYR 14 . SING C5 C6 N N 14 . 51783 MYR 15 . SING C5 H51 N N 15 . 51783 MYR 16 . SING C5 H52 N N 16 . 51783 MYR 17 . SING C6 C7 N N 17 . 51783 MYR 18 . SING C6 H61 N N 18 . 51783 MYR 19 . SING C6 H62 N N 19 . 51783 MYR 20 . SING C7 C8 N N 20 . 51783 MYR 21 . SING C7 H71 N N 21 . 51783 MYR 22 . SING C7 H72 N N 22 . 51783 MYR 23 . SING C8 C9 N N 23 . 51783 MYR 24 . SING C8 H81 N N 24 . 51783 MYR 25 . SING C8 H82 N N 25 . 51783 MYR 26 . SING C9 C10 N N 26 . 51783 MYR 27 . SING C9 H91 N N 27 . 51783 MYR 28 . SING C9 H92 N N 28 . 51783 MYR 29 . SING C10 C11 N N 29 . 51783 MYR 30 . SING C10 H101 N N 30 . 51783 MYR 31 . SING C10 H102 N N 31 . 51783 MYR 32 . SING C11 C12 N N 32 . 51783 MYR 33 . SING C11 H111 N N 33 . 51783 MYR 34 . SING C11 H112 N N 34 . 51783 MYR 35 . SING C12 C13 N N 35 . 51783 MYR 36 . SING C12 H121 N N 36 . 51783 MYR 37 . SING C12 H122 N N 37 . 51783 MYR 38 . SING C13 C14 N N 38 . 51783 MYR 39 . SING C13 H131 N N 39 . 51783 MYR 40 . SING C13 H132 N N 40 . 51783 MYR 41 . SING C14 H141 N N 41 . 51783 MYR 42 . SING C14 H142 N N 42 . 51783 MYR 43 . SING C14 H143 N N 43 . 51783 MYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51783 _Sample.ID 1 _Sample.Name 15N-sample _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mM Tris-d11 (pH 7.4), 2 mM DTT-d10, 7.5% D2O/92.5% H2O' _Sample.Aggregate_sample_number 1 _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 'GCAP5 R22A' '[U-99% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 51783 1 2 TRIS-d11 '[U-99% 2H]' . . . . . . 5 . . mM . . . . 51783 1 3 DTT-d10 '[U-99% 2H]' . . . . . . 2 . . mM . . . . 51783 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51783 _Sample.ID 2 _Sample.Name 13C15N-sample _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mM Tris-d11 (pH 7.4), 2 mM DTT-d10, 7.5% D2O/92.5% H2O' _Sample.Aggregate_sample_number 1 _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 'GCAP5 R22A' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 51783 2 2 TRIS-d11 '[U-99% 2H]' . . . . . . 5 . . mM . . . . 51783 2 3 DTT-d10 '[U-99% 2H]' . . . . . . 2 . . mM . . . . 51783 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51783 _Sample.ID 3 _Sample.Name 13C15N-D2O-sample _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mM Tris-d11 (pH 7.4), 2 mM DTT-d10, 7.5% D2O/92.5% H2O' _Sample.Aggregate_sample_number 1 _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 'GCAP5 R22A' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 51783 3 2 TRIS-d11 '[U-99% 2H]' . . . . . . 5 . . mM . . . . 51783 3 3 DTT-d10 '[U-99% 2H]' . . . . . . 2 . . mM . . . . 51783 3 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 51783 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_1_305K _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 7.4 . pH 51783 1 pressure 1 . atm 51783 1 temperature 305 . K 51783 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51783 _Sample_condition_list.ID 2 _Sample_condition_list.Name sample_2_308K _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 7.4 . pH 51783 2 pressure 1 . atm 51783 2 temperature 308 . K 51783 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51783 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51783 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51783 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51783 2 'data analysis' . 51783 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51783 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51783 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51783 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 2 '3D HNCO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 3 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 4 '3D HNCACBi' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 5 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 7 '3D HNCOCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 9 '3D HBHANH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . Aromatic 51783 1 11 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . Aromatic 51783 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 'Constant-time; sidechain' 51783 1 13 '3D HCCH-TOCSY' no no . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51783 1 14 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 15 '3D C(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51783 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51783 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51783 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51783 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51783 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51783 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51783 1 2 '3D HNCO' . . . 51783 1 3 '3D HNCACB' . . . 51783 1 4 '3D HNCACBi' . . . 51783 1 5 '3D HNCA' . . . 51783 1 6 '3D CBCA(CO)NH' . . . 51783 1 7 '3D HNCOCACB' . . . 51783 1 8 '3D HBHA(CO)NH' . . . 51783 1 9 '3D HBHANH' . . . 51783 1 10 '2D (HB)CB(CGCD)HD' . . . 51783 1 11 '2D HBCBCGCDCEHE' . . . 51783 1 12 '2D 1H-13C HSQC aliphatic' . . . 51783 1 13 '3D HCCH-TOCSY' . . . 51783 1 14 '3D H(CCO)NH' . . . 51783 1 15 '3D C(CO)NH' . . . 51783 1 16 '3D 1H-13C NOESY' . . . 51783 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51783 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 2 2 GLY H H 1 8.655 0.004 . 1 . . . . . 2 G H . 51783 1 2 . 1 . 1 2 2 GLY HA2 H 1 3.776 0.002 . 2 . . . . . 2 G HA2 . 51783 1 3 . 1 . 1 2 2 GLY HA3 H 1 3.534 0.007 . 2 . . . . . 2 G HA3 . 51783 1 4 . 1 . 1 2 2 GLY C C 13 173.739 0 . 1 . . . . . 2 G C . 51783 1 5 . 1 . 1 2 2 GLY CA C 13 44.144 0.081 . 1 . . . . . 2 G CA . 51783 1 6 . 1 . 1 2 2 GLY N N 15 113.185 0.027 . 1 . . . . . 2 G N . 51783 1 7 . 1 . 1 3 3 ASP H H 1 8.295 0.002 . 1 . . . . . 3 D H . 51783 1 8 . 1 . 1 3 3 ASP HA H 1 4.675 0.009 . 1 . . . . . 3 D HA . 51783 1 9 . 1 . 1 3 3 ASP HB2 H 1 2.752 0.003 . 1 . . . . . 3 D HB . 51783 1 10 . 1 . 1 3 3 ASP HB3 H 1 2.752 0.003 . 1 . . . . . 3 D HB . 51783 1 11 . 1 . 1 3 3 ASP C C 13 175.437 0 . 1 . . . . . 3 D C . 51783 1 12 . 1 . 1 3 3 ASP CA C 13 52.034 0.074 . 1 . . . . . 3 D CA . 51783 1 13 . 1 . 1 3 3 ASP CB C 13 37.759 0.025 . 1 . . . . . 3 D CB . 51783 1 14 . 1 . 1 3 3 ASP N N 15 117.229 0.043 . 1 . . . . . 3 D N . 51783 1 15 . 1 . 1 4 4 SER H H 1 8.37 0.004 . 1 . . . . . 4 S H . 51783 1 16 . 1 . 1 4 4 SER HA H 1 4.341 0.012 . 1 . . . . . 4 S HA . 51783 1 17 . 1 . 1 4 4 SER HB2 H 1 3.85 0.004 . 1 . . . . . 4 S HB . 51783 1 18 . 1 . 1 4 4 SER HB3 H 1 3.85 0.004 . 1 . . . . . 4 S HB . 51783 1 19 . 1 . 1 4 4 SER C C 13 174.419 0 . 1 . . . . . 4 S C . 51783 1 20 . 1 . 1 4 4 SER CA C 13 57.7 0.085 . 1 . . . . . 4 S CA . 51783 1 21 . 1 . 1 4 4 SER CB C 13 62.343 0.042 . 1 . . . . . 4 S CB . 51783 1 22 . 1 . 1 4 4 SER N N 15 116.058 0.044 . 1 . . . . . 4 S N . 51783 1 23 . 1 . 1 5 5 SER H H 1 8.088 0.003 . 1 . . . . . 5 S H . 51783 1 24 . 1 . 1 5 5 SER HA H 1 4.364 0.006 . 1 . . . . . 5 S HA . 51783 1 25 . 1 . 1 5 5 SER HB2 H 1 3.778 0.006 . 1 . . . . . 5 S HB . 51783 1 26 . 1 . 1 5 5 SER HB3 H 1 3.778 0.006 . 1 . . . . . 5 S HB . 51783 1 27 . 1 . 1 5 5 SER C C 13 174.379 0 . 1 . . . . . 5 S C . 51783 1 28 . 1 . 1 5 5 SER CA C 13 57.121 0.092 . 1 . . . . . 5 S CA . 51783 1 29 . 1 . 1 5 5 SER CB C 13 62.421 0.035 . 1 . . . . . 5 S CB . 51783 1 30 . 1 . 1 5 5 SER N N 15 116.804 0.045 . 1 . . . . . 5 S N . 51783 1 31 . 1 . 1 6 6 SER H H 1 8.173 0.002 . 1 . . . . . 6 S H . 51783 1 32 . 1 . 1 6 6 SER HA H 1 4.366 0.016 . 1 . . . . . 6 S HA . 51783 1 33 . 1 . 1 6 6 SER HB2 H 1 3.789 0.005 . 1 . . . . . 6 S HB . 51783 1 34 . 1 . 1 6 6 SER HB3 H 1 3.789 0.005 . 1 . . . . . 6 S HB . 51783 1 35 . 1 . 1 6 6 SER C C 13 174.215 0 . 1 . . . . . 6 S C . 51783 1 36 . 1 . 1 6 6 SER CA C 13 56.967 0.063 . 1 . . . . . 6 S CA . 51783 1 37 . 1 . 1 6 6 SER CB C 13 62.536 0.033 . 1 . . . . . 6 S CB . 51783 1 38 . 1 . 1 6 6 SER N N 15 117.609 0.025 . 1 . . . . . 6 S N . 51783 1 39 . 1 . 1 7 7 MET H H 1 8.042 0.006 . 1 . . . . . 7 M H . 51783 1 40 . 1 . 1 7 7 MET HA H 1 4.499 0.01 . 1 . . . . . 7 M HA . 51783 1 41 . 1 . 1 7 7 MET HB2 H 1 1.964 0.004 . 2 . . . . . 7 M HB2 . 51783 1 42 . 1 . 1 7 7 MET HB3 H 1 1.876 0.004 . 2 . . . . . 7 M HB3 . 51783 1 43 . 1 . 1 7 7 MET HG2 H 1 2.466 0.006 . 2 . . . . . 7 M HG . 51783 1 44 . 1 . 1 7 7 MET HG3 H 1 2.466 0.006 . 2 . . . . . 7 M HG . 51783 1 45 . 1 . 1 7 7 MET C C 13 175.684 0 . 1 . . . . . 7 M C . 51783 1 46 . 1 . 1 7 7 MET CA C 13 54.544 0.063 . 1 . . . . . 7 M CA . 51783 1 47 . 1 . 1 7 7 MET CB C 13 33.669 0.107 . 1 . . . . . 7 M CB . 51783 1 48 . 1 . 1 7 7 MET CG C 13 31.121 0.07 . 1 . . . . . 7 M CG . 51783 1 49 . 1 . 1 7 7 MET N N 15 122.114 0.057 . 1 . . . . . 7 M N . 51783 1 50 . 1 . 1 8 8 SER H H 1 8.832 0.005 . 1 . . . . . 8 S H . 51783 1 51 . 1 . 1 8 8 SER HA H 1 4.524 0.007 . 1 . . . . . 8 S HA . 51783 1 52 . 1 . 1 8 8 SER C C 13 174.741 0 . 1 . . . . . 8 S C . 51783 1 53 . 1 . 1 8 8 SER CA C 13 56.13 0.082 . 1 . . . . . 8 S CA . 51783 1 54 . 1 . 1 8 8 SER CB C 13 63.928 0.087 . 1 . . . . . 8 S CB . 51783 1 55 . 1 . 1 8 8 SER N N 15 120.305 0.059 . 1 . . . . . 8 S N . 51783 1 56 . 1 . 1 9 9 ALA H H 1 8.919 0.008 . 1 . . . . . 9 A H . 51783 1 57 . 1 . 1 9 9 ALA HA H 1 4.185 0.018 . 1 . . . . . 9 A HA . 51783 1 58 . 1 . 1 9 9 ALA HB1 H 1 1.521 0.012 . 1 . . . . . 9 A HB . 51783 1 59 . 1 . 1 9 9 ALA HB2 H 1 1.521 0.012 . 1 . . . . . 9 A HB . 51783 1 60 . 1 . 1 9 9 ALA HB3 H 1 1.521 0.012 . 1 . . . . . 9 A HB . 51783 1 61 . 1 . 1 9 9 ALA C C 13 180.793 0 . 1 . . . . . 9 A C . 51783 1 62 . 1 . 1 9 9 ALA CA C 13 54.285 0.093 . 1 . . . . . 9 A CA . 51783 1 63 . 1 . 1 9 9 ALA CB C 13 16.992 0.073 . 1 . . . . . 9 A CB . 51783 1 64 . 1 . 1 9 9 ALA N N 15 124.139 0.058 . 1 . . . . . 9 A N . 51783 1 65 . 1 . 1 10 10 THR H H 1 8.067 0.007 . 1 . . . . . 10 T H . 51783 1 66 . 1 . 1 10 10 THR HA H 1 4.071 0.014 . 1 . . . . . 10 T HA . 51783 1 67 . 1 . 1 10 10 THR HG21 H 1 1.25 0.004 . 1 . . . . . 10 T HG2 . 51783 1 68 . 1 . 1 10 10 THR HG22 H 1 1.25 0.004 . 1 . . . . . 10 T HG2 . 51783 1 69 . 1 . 1 10 10 THR HG23 H 1 1.25 0.004 . 1 . . . . . 10 T HG2 . 51783 1 70 . 1 . 1 10 10 THR C C 13 176.986 0 . 1 . . . . . 10 T C . 51783 1 71 . 1 . 1 10 10 THR CA C 13 64.152 0.075 . 1 . . . . . 10 T CA . 51783 1 72 . 1 . 1 10 10 THR CB C 13 67.231 0.085 . 1 . . . . . 10 T CB . 51783 1 73 . 1 . 1 10 10 THR CG2 C 13 20.686 0.049 . 1 . . . . . 10 T CG2 . 51783 1 74 . 1 . 1 10 10 THR N N 15 112.483 0.107 . 1 . . . . . 10 T N . 51783 1 75 . 1 . 1 11 11 GLU H H 1 7.73 0.003 . 1 . . . . . 11 E H . 51783 1 76 . 1 . 1 11 11 GLU C C 13 179.017 0 . 1 . . . . . 11 E C . 51783 1 77 . 1 . 1 11 11 GLU CA C 13 57.837 0.079 . 1 . . . . . 11 E CA . 51783 1 78 . 1 . 1 11 11 GLU CB C 13 28.692 0.042 . 1 . . . . . 11 E CB . 51783 1 79 . 1 . 1 11 11 GLU CG C 13 35.974 0 . 1 . . . . . 11 E CG . 51783 1 80 . 1 . 1 11 11 GLU N N 15 124.165 0.05 . 1 . . . . . 11 E N . 51783 1 81 . 1 . 1 12 12 LEU H H 1 8.439 0.002 . 1 . . . . . 12 L H . 51783 1 82 . 1 . 1 12 12 LEU HA H 1 4.254 0.025 . 1 . . . . . 12 L HA . 51783 1 83 . 1 . 1 12 12 LEU HB2 H 1 1.86 0.009 . 2 . . . . . 12 L HB2 . 51783 1 84 . 1 . 1 12 12 LEU HB3 H 1 1.696 0.011 . 2 . . . . . 12 L HB3 . 51783 1 85 . 1 . 1 12 12 LEU HG H 1 1.786 0.005 . 1 . . . . . 12 L HG . 51783 1 86 . 1 . 1 12 12 LEU HD11 H 1 1.099 0.009 . 1 . . . . . 12 L HD1 . 51783 1 87 . 1 . 1 12 12 LEU HD12 H 1 1.099 0.009 . 1 . . . . . 12 L HD1 . 51783 1 88 . 1 . 1 12 12 LEU HD13 H 1 1.099 0.009 . 1 . . . . . 12 L HD1 . 51783 1 89 . 1 . 1 12 12 LEU HD21 H 1 1.129 0.003 . 1 . . . . . 12 L HD2 . 51783 1 90 . 1 . 1 12 12 LEU HD22 H 1 1.129 0.003 . 1 . . . . . 12 L HD2 . 51783 1 91 . 1 . 1 12 12 LEU HD23 H 1 1.129 0.003 . 1 . . . . . 12 L HD2 . 51783 1 92 . 1 . 1 12 12 LEU C C 13 179.425 0 . 1 . . . . . 12 L C . 51783 1 93 . 1 . 1 12 12 LEU CA C 13 56.752 0.071 . 1 . . . . . 12 L CA . 51783 1 94 . 1 . 1 12 12 LEU CB C 13 40.522 0.077 . 1 . . . . . 12 L CB . 51783 1 95 . 1 . 1 12 12 LEU CG C 13 26.296 0.078 . 1 . . . . . 12 L CG . 51783 1 96 . 1 . 1 12 12 LEU CD1 C 13 23.895 0.043 . 1 . . . . . 12 L CD1 . 51783 1 97 . 1 . 1 12 12 LEU CD2 C 13 23.584 0.035 . 1 . . . . . 12 L CD2 . 51783 1 98 . 1 . 1 12 12 LEU N N 15 120.955 0.03 . 1 . . . . . 12 L N . 51783 1 99 . 1 . 1 13 13 SER H H 1 7.99 0.006 . 1 . . . . . 13 S H . 51783 1 100 . 1 . 1 13 13 SER HA H 1 4.047 0.052 . 1 . . . . . 13 S HA . 51783 1 101 . 1 . 1 13 13 SER C C 13 176.238 0 . 1 . . . . . 13 S C . 51783 1 102 . 1 . 1 13 13 SER CA C 13 60.232 0.083 . 1 . . . . . 13 S CA . 51783 1 103 . 1 . 1 13 13 SER CB C 13 61.523 0.095 . 1 . . . . . 13 S CB . 51783 1 104 . 1 . 1 13 13 SER N N 15 113.633 0.042 . 1 . . . . . 13 S N . 51783 1 105 . 1 . 1 14 14 ALA H H 1 7.373 0.002 . 1 . . . . . 14 A H . 51783 1 106 . 1 . 1 14 14 ALA HA H 1 4.292 0.012 . 1 . . . . . 14 A HA . 51783 1 107 . 1 . 1 14 14 ALA HB1 H 1 1.557 0.003 . 1 . . . . . 14 A HB . 51783 1 108 . 1 . 1 14 14 ALA HB2 H 1 1.557 0.003 . 1 . . . . . 14 A HB . 51783 1 109 . 1 . 1 14 14 ALA HB3 H 1 1.557 0.003 . 1 . . . . . 14 A HB . 51783 1 110 . 1 . 1 14 14 ALA C C 13 178.665 0 . 1 . . . . . 14 A C . 51783 1 111 . 1 . 1 14 14 ALA CA C 13 52.222 0.046 . 1 . . . . . 14 A CA . 51783 1 112 . 1 . 1 14 14 ALA CB C 13 17.235 0.038 . 1 . . . . . 14 A CB . 51783 1 113 . 1 . 1 14 14 ALA N N 15 122.103 0.016 . 1 . . . . . 14 A N . 51783 1 114 . 1 . 1 15 15 CYS H H 1 7.657 0.004 . 1 . . . . . 15 C H . 51783 1 115 . 1 . 1 15 15 CYS HB2 H 1 3.504 0 . 2 . . . . . 15 C HB2 . 51783 1 116 . 1 . 1 15 15 CYS HB3 H 1 2.937 0 . 2 . . . . . 15 C HB3 . 51783 1 117 . 1 . 1 15 15 CYS C C 13 174.305 0 . 1 . . . . . 15 C C . 51783 1 118 . 1 . 1 15 15 CYS CA C 13 57.853 0.054 . 1 . . . . . 15 C CA . 51783 1 119 . 1 . 1 15 15 CYS CB C 13 27.141 0.083 . 1 . . . . . 15 C CB . 51783 1 120 . 1 . 1 15 15 CYS N N 15 115.466 0.043 . 1 . . . . . 15 C N . 51783 1 121 . 1 . 1 16 16 LYS H H 1 6.728 0.004 . 1 . . . . . 16 K H . 51783 1 122 . 1 . 1 16 16 LYS HB2 H 1 2.627 0.009 . 2 . . . . . 16 K HB2 . 51783 1 123 . 1 . 1 16 16 LYS HB3 H 1 1.482 0.01 . 2 . . . . . 16 K HB3 . 51783 1 124 . 1 . 1 16 16 LYS C C 13 175.686 0 . 1 . . . . . 16 K C . 51783 1 125 . 1 . 1 16 16 LYS CA C 13 57.081 0.095 . 1 . . . . . 16 K CA . 51783 1 126 . 1 . 1 16 16 LYS CB C 13 30.892 0.089 . 1 . . . . . 16 K CB . 51783 1 127 . 1 . 1 16 16 LYS CG C 13 23.324 0 . 1 . . . . . 16 K CG . 51783 1 128 . 1 . 1 16 16 LYS CD C 13 28.59 0 . 1 . . . . . 16 K CD . 51783 1 129 . 1 . 1 16 16 LYS N N 15 117.181 0.048 . 1 . . . . . 16 K N . 51783 1 130 . 1 . 1 17 17 CYS H H 1 7.459 0.005 . 1 . . . . . 17 C H . 51783 1 131 . 1 . 1 17 17 CYS HA H 1 4.473 0.017 . 1 . . . . . 17 C HA . 51783 1 132 . 1 . 1 17 17 CYS HB2 H 1 3.068 0 . 2 . . . . . 17 C HB2 . 51783 1 133 . 1 . 1 17 17 CYS HB3 H 1 2.961 0 . 2 . . . . . 17 C HB3 . 51783 1 134 . 1 . 1 17 17 CYS C C 13 174.423 0 . 1 . . . . . 17 C C . 51783 1 135 . 1 . 1 17 17 CYS CA C 13 56.039 0.114 . 1 . . . . . 17 C CA . 51783 1 136 . 1 . 1 17 17 CYS CB C 13 26.738 0.061 . 1 . . . . . 17 C CB . 51783 1 137 . 1 . 1 17 17 CYS N N 15 111.076 0.046 . 1 . . . . . 17 C N . 51783 1 138 . 1 . 1 18 18 HIS H H 1 7.8 0.005 . 1 . . . . . 18 H H . 51783 1 139 . 1 . 1 18 18 HIS C C 13 177.42 0 . 1 . . . . . 18 H C . 51783 1 140 . 1 . 1 18 18 HIS CA C 13 53.682 0.096 . 1 . . . . . 18 H CA . 51783 1 141 . 1 . 1 18 18 HIS CB C 13 31.254 0.123 . 1 . . . . . 18 H CB . 51783 1 142 . 1 . 1 18 18 HIS N N 15 121.257 0.11 . 1 . . . . . 18 H N . 51783 1 143 . 1 . 1 19 19 GLN H H 1 9.418 0.008 . 1 . . . . . 19 Q H . 51783 1 144 . 1 . 1 19 19 GLN HA H 1 4.198 0.003 . 1 . . . . . 19 Q HA . 51783 1 145 . 1 . 1 19 19 GLN C C 13 178.202 0 . 1 . . . . . 19 Q C . 51783 1 146 . 1 . 1 19 19 GLN CA C 13 58.033 0.112 . 1 . . . . . 19 Q CA . 51783 1 147 . 1 . 1 19 19 GLN CB C 13 25.939 0.024 . 1 . . . . . 19 Q CB . 51783 1 148 . 1 . 1 19 19 GLN N N 15 125.105 0.044 . 1 . . . . . 19 Q N . 51783 1 149 . 1 . 1 20 20 TRP H H 1 8.826 0.007 . 1 . . . . . 20 W H . 51783 1 150 . 1 . 1 20 20 TRP HA H 1 4.458 0.022 . 1 . . . . . 20 W HA . 51783 1 151 . 1 . 1 20 20 TRP HD1 H 1 7.846 0 . 1 . . . . . 20 W HD1 . 51783 1 152 . 1 . 1 20 20 TRP HE1 H 1 9.82 0.002 . 1 . . . . . 20 W HE1 . 51783 1 153 . 1 . 1 20 20 TRP C C 13 177.143 0 . 1 . . . . . 20 W C . 51783 1 154 . 1 . 1 20 20 TRP CA C 13 58.401 0.164 . 1 . . . . . 20 W CA . 51783 1 155 . 1 . 1 20 20 TRP CB C 13 26.242 0.086 . 1 . . . . . 20 W CB . 51783 1 156 . 1 . 1 20 20 TRP N N 15 116.693 0.056 . 1 . . . . . 20 W N . 51783 1 157 . 1 . 1 20 20 TRP NE1 N 15 127.216 0.017 . 1 . . . . . 20 W NE1 . 51783 1 158 . 1 . 1 21 21 TYR H H 1 6.282 0.013 . 1 . . . . . 21 Y H . 51783 1 159 . 1 . 1 21 21 TYR HD1 H 1 6.776 0 . 1 . . . . . 21 Y HD . 51783 1 160 . 1 . 1 21 21 TYR HD2 H 1 6.776 0 . 1 . . . . . 21 Y HD . 51783 1 161 . 1 . 1 21 21 TYR HE1 H 1 6.717 0 . 1 . . . . . 21 Y HE . 51783 1 162 . 1 . 1 21 21 TYR HE2 H 1 6.717 0 . 1 . . . . . 21 Y HE . 51783 1 163 . 1 . 1 21 21 TYR CA C 13 59.269 0.131 . 1 . . . . . 21 Y CA . 51783 1 164 . 1 . 1 21 21 TYR CB C 13 37.633 0.041 . 1 . . . . . 21 Y CB . 51783 1 165 . 1 . 1 21 21 TYR N N 15 127.086 0.068 . 1 . . . . . 21 Y N . 51783 1 166 . 1 . 1 22 22 ALA HA H 1 4.057 0.007 . 1 . . . . . 22 A HA . 51783 1 167 . 1 . 1 22 22 ALA HB1 H 1 1.445 0.005 . 1 . . . . . 22 A HB . 51783 1 168 . 1 . 1 22 22 ALA HB2 H 1 1.445 0.005 . 1 . . . . . 22 A HB . 51783 1 169 . 1 . 1 22 22 ALA HB3 H 1 1.445 0.005 . 1 . . . . . 22 A HB . 51783 1 170 . 1 . 1 22 22 ALA C C 13 180.475 0 . 1 . . . . . 22 A C . 51783 1 171 . 1 . 1 22 22 ALA CA C 13 53.931 0.068 . 1 . . . . . 22 A CA . 51783 1 172 . 1 . 1 22 22 ALA CB C 13 17.312 0.044 . 1 . . . . . 22 A CB . 51783 1 173 . 1 . 1 23 23 LYS H H 1 9.104 0.004 . 1 . . . . . 23 K H . 51783 1 174 . 1 . 1 23 23 LYS HA H 1 3.97 0.01 . 1 . . . . . 23 K HA . 51783 1 175 . 1 . 1 23 23 LYS C C 13 178.458 0 . 1 . . . . . 23 K C . 51783 1 176 . 1 . 1 23 23 LYS CA C 13 58.577 0.092 . 1 . . . . . 23 K CA . 51783 1 177 . 1 . 1 23 23 LYS CB C 13 32.598 0.073 . 1 . . . . . 23 K CB . 51783 1 178 . 1 . 1 23 23 LYS CD C 13 27.37 0 . 1 . . . . . 23 K CD . 51783 1 179 . 1 . 1 23 23 LYS N N 15 118.203 0.051 . 1 . . . . . 23 K N . 51783 1 180 . 1 . 1 24 24 PHE H H 1 7.093 0.009 . 1 . . . . . 24 F H . 51783 1 181 . 1 . 1 24 24 PHE HA H 1 3.96 0.004 . 1 . . . . . 24 F HA . 51783 1 182 . 1 . 1 24 24 PHE HB2 H 1 3.106 0 . 2 . . . . . 24 F HB2 . 51783 1 183 . 1 . 1 24 24 PHE HB3 H 1 2.873 0 . 2 . . . . . 24 F HB3 . 51783 1 184 . 1 . 1 24 24 PHE HD1 H 1 6.129 0 . 1 . . . . . 24 F HD . 51783 1 185 . 1 . 1 24 24 PHE HD2 H 1 6.129 0 . 1 . . . . . 24 F HD . 51783 1 186 . 1 . 1 24 24 PHE C C 13 176.801 0 . 1 . . . . . 24 F C . 51783 1 187 . 1 . 1 24 24 PHE CA C 13 60.829 0.117 . 1 . . . . . 24 F CA . 51783 1 188 . 1 . 1 24 24 PHE CB C 13 39.019 0.107 . 1 . . . . . 24 F CB . 51783 1 189 . 1 . 1 24 24 PHE N N 15 118.942 0.088 . 1 . . . . . 24 F N . 51783 1 190 . 1 . 1 25 25 MET H H 1 7.733 0.008 . 1 . . . . . 25 M H . 51783 1 191 . 1 . 1 25 25 MET HA H 1 4.171 0.01 . 1 . . . . . 25 M HA . 51783 1 192 . 1 . 1 25 25 MET HB2 H 1 2.279 0 . 2 . . . . . 25 M HB2 . 51783 1 193 . 1 . 1 25 25 MET HB3 H 1 2.089 0 . 2 . . . . . 25 M HB3 . 51783 1 194 . 1 . 1 25 25 MET HE1 H 1 1.929 0 . 1 . . . . . 25 M ME . 51783 1 195 . 1 . 1 25 25 MET HE2 H 1 1.929 0 . 1 . . . . . 25 M ME . 51783 1 196 . 1 . 1 25 25 MET HE3 H 1 1.929 0 . 1 . . . . . 25 M ME . 51783 1 197 . 1 . 1 25 25 MET C C 13 178.679 0 . 1 . . . . . 25 M C . 51783 1 198 . 1 . 1 25 25 MET CA C 13 55.388 0.053 . 1 . . . . . 25 M CA . 51783 1 199 . 1 . 1 25 25 MET CB C 13 29.877 0.065 . 1 . . . . . 25 M CB . 51783 1 200 . 1 . 1 25 25 MET CG C 13 30.961 0 . 1 . . . . . 25 M CG . 51783 1 201 . 1 . 1 25 25 MET N N 15 113.181 0.078 . 1 . . . . . 25 M N . 51783 1 202 . 1 . 1 26 26 THR H H 1 8.09 0.002 . 1 . . . . . 26 T H . 51783 1 203 . 1 . 1 26 26 THR HG21 H 1 1.24 0.013 . 1 . . . . . 26 T HG2 . 51783 1 204 . 1 . 1 26 26 THR HG22 H 1 1.24 0.013 . 1 . . . . . 26 T HG2 . 51783 1 205 . 1 . 1 26 26 THR HG23 H 1 1.24 0.013 . 1 . . . . . 26 T HG2 . 51783 1 206 . 1 . 1 26 26 THR C C 13 173.788 0 . 1 . . . . . 26 T C . 51783 1 207 . 1 . 1 26 26 THR CA C 13 63.713 0.082 . 1 . . . . . 26 T CA . 51783 1 208 . 1 . 1 26 26 THR CB C 13 68.38 0.066 . 1 . . . . . 26 T CB . 51783 1 209 . 1 . 1 26 26 THR CG2 C 13 20.36 0.048 . 1 . . . . . 26 T CG2 . 51783 1 210 . 1 . 1 26 26 THR N N 15 111.006 0.062 . 1 . . . . . 26 T N . 51783 1 211 . 1 . 1 27 27 GLU H H 1 8.348 0.008 . 1 . . . . . 27 E H . 51783 1 212 . 1 . 1 27 27 GLU HA H 1 4.303 0.01 . 1 . . . . . 27 E HA . 51783 1 213 . 1 . 1 27 27 GLU C C 13 176.717 0 . 1 . . . . . 27 E C . 51783 1 214 . 1 . 1 27 27 GLU CA C 13 55.971 0.125 . 1 . . . . . 27 E CA . 51783 1 215 . 1 . 1 27 27 GLU CB C 13 28.688 0.074 . 1 . . . . . 27 E CB . 51783 1 216 . 1 . 1 27 27 GLU CG C 13 35.712 0 . 1 . . . . . 27 E CG . 51783 1 217 . 1 . 1 27 27 GLU N N 15 118.1 0.038 . 1 . . . . . 27 E N . 51783 1 218 . 1 . 1 28 28 CYS H H 1 7.822 0.005 . 1 . . . . . 28 C H . 51783 1 219 . 1 . 1 28 28 CYS CA C 13 54.322 0.099 . 1 . . . . . 28 C CA . 51783 1 220 . 1 . 1 28 28 CYS CB C 13 24.589 0.038 . 1 . . . . . 28 C CB . 51783 1 221 . 1 . 1 28 28 CYS N N 15 119.058 0.041 . 1 . . . . . 28 C N . 51783 1 222 . 1 . 1 29 29 PRO HA H 1 4.377 0.002 . 1 . . . . . 29 P HA . 51783 1 223 . 1 . 1 29 29 PRO C C 13 178.092 0 . 1 . . . . . 29 P C . 51783 1 224 . 1 . 1 29 29 PRO CA C 13 63.431 0.068 . 1 . . . . . 29 P CA . 51783 1 225 . 1 . 1 29 29 PRO CB C 13 30.218 0.007 . 1 . . . . . 29 P CB . 51783 1 226 . 1 . 1 29 29 PRO CG C 13 26.17 0 . 1 . . . . . 29 P CG . 51783 1 227 . 1 . 1 30 30 SER H H 1 8.277 0.004 . 1 . . . . . 30 S H . 51783 1 228 . 1 . 1 30 30 SER HA H 1 4.368 0 . 1 . . . . . 30 S HA . 51783 1 229 . 1 . 1 30 30 SER HB2 H 1 3.99 0 . 1 . . . . . 30 S HB . 51783 1 230 . 1 . 1 30 30 SER HB3 H 1 3.99 0 . 1 . . . . . 30 S HB . 51783 1 231 . 1 . 1 30 30 SER C C 13 175.972 0 . 1 . . . . . 30 S C . 51783 1 232 . 1 . 1 30 30 SER CA C 13 58.043 0.128 . 1 . . . . . 30 S CA . 51783 1 233 . 1 . 1 30 30 SER CB C 13 62.425 0.075 . 1 . . . . . 30 S CB . 51783 1 234 . 1 . 1 30 30 SER N N 15 112.701 0.046 . 1 . . . . . 30 S N . 51783 1 235 . 1 . 1 31 31 GLY H H 1 8.057 0.005 . 1 . . . . . 31 G H . 51783 1 236 . 1 . 1 31 31 GLY HA2 H 1 4.381 0.003 . 2 . . . . . 31 G HA2 . 51783 1 237 . 1 . 1 31 31 GLY HA3 H 1 3.828 0.005 . 2 . . . . . 31 G HA3 . 51783 1 238 . 1 . 1 31 31 GLY C C 13 172.689 0 . 1 . . . . . 31 G C . 51783 1 239 . 1 . 1 31 31 GLY CA C 13 44.486 0.05 . 1 . . . . . 31 G CA . 51783 1 240 . 1 . 1 31 31 GLY N N 15 109.675 0.059 . 1 . . . . . 31 G N . 51783 1 241 . 1 . 1 32 32 GLN H H 1 7.446 0.005 . 1 . . . . . 32 Q H . 51783 1 242 . 1 . 1 32 32 GLN HA H 1 5.14 0.034 . 1 . . . . . 32 Q HA . 51783 1 243 . 1 . 1 32 32 GLN HB2 H 1 1.845 0 . 1 . . . . . 32 Q HB . 51783 1 244 . 1 . 1 32 32 GLN HB3 H 1 1.845 0 . 1 . . . . . 32 Q HB . 51783 1 245 . 1 . 1 32 32 GLN HG2 H 1 2.218 0 . 1 . . . . . 32 Q HG . 51783 1 246 . 1 . 1 32 32 GLN HG3 H 1 2.218 0 . 1 . . . . . 32 Q HG . 51783 1 247 . 1 . 1 32 32 GLN C C 13 173.713 0 . 1 . . . . . 32 Q C . 51783 1 248 . 1 . 1 32 32 GLN CA C 13 53.066 0.05 . 1 . . . . . 32 Q CA . 51783 1 249 . 1 . 1 32 32 GLN CB C 13 31.108 0.085 . 1 . . . . . 32 Q CB . 51783 1 250 . 1 . 1 32 32 GLN N N 15 116.551 0.043 . 1 . . . . . 32 Q N . 51783 1 251 . 1 . 1 33 33 LEU H H 1 9.207 0.005 . 1 . . . . . 33 L H . 51783 1 252 . 1 . 1 33 33 LEU HA H 1 4.711 0.005 . 1 . . . . . 33 L HA . 51783 1 253 . 1 . 1 33 33 LEU HB2 H 1 1.742 0.043 . 1 . . . . . 33 L HB . 51783 1 254 . 1 . 1 33 33 LEU HB3 H 1 1.742 0.043 . 1 . . . . . 33 L HB . 51783 1 255 . 1 . 1 33 33 LEU HG H 1 1.571 0.002 . 1 . . . . . 33 L HG . 51783 1 256 . 1 . 1 33 33 LEU HD11 H 1 0.475 0.004 . 1 . . . . . 33 L HD1 . 51783 1 257 . 1 . 1 33 33 LEU HD12 H 1 0.475 0.004 . 1 . . . . . 33 L HD1 . 51783 1 258 . 1 . 1 33 33 LEU HD13 H 1 0.475 0.004 . 1 . . . . . 33 L HD1 . 51783 1 259 . 1 . 1 33 33 LEU HD21 H 1 0.44 0.013 . 1 . . . . . 33 L HD2 . 51783 1 260 . 1 . 1 33 33 LEU HD22 H 1 0.44 0.013 . 1 . . . . . 33 L HD2 . 51783 1 261 . 1 . 1 33 33 LEU HD23 H 1 0.44 0.013 . 1 . . . . . 33 L HD2 . 51783 1 262 . 1 . 1 33 33 LEU C C 13 177.337 0 . 1 . . . . . 33 L C . 51783 1 263 . 1 . 1 33 33 LEU CA C 13 52.666 0.175 . 1 . . . . . 33 L CA . 51783 1 264 . 1 . 1 33 33 LEU CB C 13 43.605 0.069 . 1 . . . . . 33 L CB . 51783 1 265 . 1 . 1 33 33 LEU CD1 C 13 24.181 0.047 . 1 . . . . . 33 L CD1 . 51783 1 266 . 1 . 1 33 33 LEU CD2 C 13 23.88 0.073 . 1 . . . . . 33 L CD2 . 51783 1 267 . 1 . 1 33 33 LEU N N 15 124.017 0.056 . 1 . . . . . 33 L N . 51783 1 268 . 1 . 1 34 34 THR H H 1 8.071 0.009 . 1 . . . . . 34 T H . 51783 1 269 . 1 . 1 34 34 THR HA H 1 4.912 0.001 . 1 . . . . . 34 T HA . 51783 1 270 . 1 . 1 34 34 THR HB H 1 4.816 0 . 1 . . . . . 34 T HB . 51783 1 271 . 1 . 1 34 34 THR HG21 H 1 1.437 0.006 . 1 . . . . . 34 T HG2 . 51783 1 272 . 1 . 1 34 34 THR HG22 H 1 1.437 0.006 . 1 . . . . . 34 T HG2 . 51783 1 273 . 1 . 1 34 34 THR HG23 H 1 1.437 0.006 . 1 . . . . . 34 T HG2 . 51783 1 274 . 1 . 1 34 34 THR C C 13 175.255 0 . 1 . . . . . 34 T C . 51783 1 275 . 1 . 1 34 34 THR CA C 13 56.926 8.999 . 1 . . . . . 34 T CA . 51783 1 276 . 1 . 1 34 34 THR CB C 13 69.989 0.061 . 1 . . . . . 34 T CB . 51783 1 277 . 1 . 1 34 34 THR CG2 C 13 20.831 0.101 . 1 . . . . . 34 T CG2 . 51783 1 278 . 1 . 1 34 34 THR N N 15 114.638 0.036 . 1 . . . . . 34 T N . 51783 1 279 . 1 . 1 35 35 PHE H H 1 9.07 0.004 . 1 . . . . . 35 F H . 51783 1 280 . 1 . 1 35 35 PHE HD1 H 1 6.385 0 . 1 . . . . . 35 F HD . 51783 1 281 . 1 . 1 35 35 PHE HD2 H 1 6.385 0 . 1 . . . . . 35 F HD . 51783 1 282 . 1 . 1 35 35 PHE HE1 H 1 7.181 0 . 1 . . . . . 35 F HE . 51783 1 283 . 1 . 1 35 35 PHE HE2 H 1 7.181 0 . 1 . . . . . 35 F HE . 51783 1 284 . 1 . 1 35 35 PHE C C 13 176.997 0 . 1 . . . . . 35 F C . 51783 1 285 . 1 . 1 35 35 PHE CA C 13 60.6 0.2 . 1 . . . . . 35 F CA . 51783 1 286 . 1 . 1 35 35 PHE CB C 13 37.317 0.108 . 1 . . . . . 35 F CB . 51783 1 287 . 1 . 1 35 35 PHE N N 15 121.717 0.034 . 1 . . . . . 35 F N . 51783 1 288 . 1 . 1 36 36 TYR H H 1 8.275 0.007 . 1 . . . . . 36 Y H . 51783 1 289 . 1 . 1 36 36 TYR HA H 1 3.906 0.003 . 1 . . . . . 36 Y HA . 51783 1 290 . 1 . 1 36 36 TYR HD1 H 1 7.186 0 . 1 . . . . . 36 Y HD . 51783 1 291 . 1 . 1 36 36 TYR HD2 H 1 7.186 0 . 1 . . . . . 36 Y HD . 51783 1 292 . 1 . 1 36 36 TYR HE1 H 1 6.933 0 . 1 . . . . . 36 Y HE . 51783 1 293 . 1 . 1 36 36 TYR HE2 H 1 6.933 0 . 1 . . . . . 36 Y HE . 51783 1 294 . 1 . 1 36 36 TYR C C 13 178.675 0 . 1 . . . . . 36 Y C . 51783 1 295 . 1 . 1 36 36 TYR CA C 13 60.213 0.083 . 1 . . . . . 36 Y CA . 51783 1 296 . 1 . 1 36 36 TYR CB C 13 36.799 0.075 . 1 . . . . . 36 Y CB . 51783 1 297 . 1 . 1 36 36 TYR N N 15 116.559 0.031 . 1 . . . . . 36 Y N . 51783 1 298 . 1 . 1 37 37 GLU H H 1 7.427 0.007 . 1 . . . . . 37 E H . 51783 1 299 . 1 . 1 37 37 GLU C C 13 178.356 0 . 1 . . . . . 37 E C . 51783 1 300 . 1 . 1 37 37 GLU CA C 13 56.947 0.089 . 1 . . . . . 37 E CA . 51783 1 301 . 1 . 1 37 37 GLU CB C 13 28.866 0.06 . 1 . . . . . 37 E CB . 51783 1 302 . 1 . 1 37 37 GLU CG C 13 35.655 0 . 1 . . . . . 37 E CG . 51783 1 303 . 1 . 1 37 37 GLU N N 15 117.984 0.03 . 1 . . . . . 37 E N . 51783 1 304 . 1 . 1 38 38 PHE H H 1 9.053 0.009 . 1 . . . . . 38 F H . 51783 1 305 . 1 . 1 38 38 PHE HA H 1 4.201 0 . 1 . . . . . 38 F HA . 51783 1 306 . 1 . 1 38 38 PHE HD1 H 1 6.36 0 . 1 . . . . . 38 F HD . 51783 1 307 . 1 . 1 38 38 PHE HD2 H 1 6.36 0 . 1 . . . . . 38 F HD . 51783 1 308 . 1 . 1 38 38 PHE C C 13 175.971 0 . 1 . . . . . 38 F C . 51783 1 309 . 1 . 1 38 38 PHE CA C 13 60.303 0.12 . 1 . . . . . 38 F CA . 51783 1 310 . 1 . 1 38 38 PHE CB C 13 38.498 0.071 . 1 . . . . . 38 F CB . 51783 1 311 . 1 . 1 38 38 PHE N N 15 124.567 0.049 . 1 . . . . . 38 F N . 51783 1 312 . 1 . 1 39 39 LYS H H 1 7.758 0.006 . 1 . . . . . 39 K H . 51783 1 313 . 1 . 1 39 39 LYS HA H 1 3.739 0.005 . 1 . . . . . 39 K HA . 51783 1 314 . 1 . 1 39 39 LYS HB2 H 1 1.796 0.017 . 1 . . . . . 39 K HB . 51783 1 315 . 1 . 1 39 39 LYS HB3 H 1 1.796 0.017 . 1 . . . . . 39 K HB . 51783 1 316 . 1 . 1 39 39 LYS C C 13 178.172 0 . 1 . . . . . 39 K C . 51783 1 317 . 1 . 1 39 39 LYS CA C 13 59.573 0.112 . 1 . . . . . 39 K CA . 51783 1 318 . 1 . 1 39 39 LYS CB C 13 30.294 0.056 . 1 . . . . . 39 K CB . 51783 1 319 . 1 . 1 39 39 LYS N N 15 116.825 0.081 . 1 . . . . . 39 K N . 51783 1 320 . 1 . 1 40 40 LYS H H 1 7.18 0.003 . 1 . . . . . 40 K H . 51783 1 321 . 1 . 1 40 40 LYS HA H 1 3.909 0.009 . 1 . . . . . 40 K HA . 51783 1 322 . 1 . 1 40 40 LYS HB2 H 1 1.829 0.026 . 1 . . . . . 40 K HB . 51783 1 323 . 1 . 1 40 40 LYS HB3 H 1 1.829 0.026 . 1 . . . . . 40 K HB . 51783 1 324 . 1 . 1 40 40 LYS C C 13 179.365 0 . 1 . . . . . 40 K C . 51783 1 325 . 1 . 1 40 40 LYS CA C 13 57.911 0.079 . 1 . . . . . 40 K CA . 51783 1 326 . 1 . 1 40 40 LYS CB C 13 31.08 0.082 . 1 . . . . . 40 K CB . 51783 1 327 . 1 . 1 40 40 LYS N N 15 118.105 0.026 . 1 . . . . . 40 K N . 51783 1 328 . 1 . 1 41 41 PHE H H 1 8.768 0.007 . 1 . . . . . 41 F H . 51783 1 329 . 1 . 1 41 41 PHE HA H 1 3.814 0 . 1 . . . . . 41 F HA . 51783 1 330 . 1 . 1 41 41 PHE HB2 H 1 3.013 0 . 2 . . . . . 41 F HB2 . 51783 1 331 . 1 . 1 41 41 PHE HB3 H 1 2.696 0 . 2 . . . . . 41 F HB3 . 51783 1 332 . 1 . 1 41 41 PHE HD1 H 1 6.069 0 . 1 . . . . . 41 F HD . 51783 1 333 . 1 . 1 41 41 PHE HD2 H 1 6.069 0 . 1 . . . . . 41 F HD . 51783 1 334 . 1 . 1 41 41 PHE C C 13 176.08 0 . 1 . . . . . 41 F C . 51783 1 335 . 1 . 1 41 41 PHE CA C 13 60.665 0.056 . 1 . . . . . 41 F CA . 51783 1 336 . 1 . 1 41 41 PHE CB C 13 38.929 0.081 . 1 . . . . . 41 F CB . 51783 1 337 . 1 . 1 41 41 PHE N N 15 123.518 0.038 . 1 . . . . . 41 F N . 51783 1 338 . 1 . 1 42 42 PHE H H 1 7.427 0.006 . 1 . . . . . 42 F H . 51783 1 339 . 1 . 1 42 42 PHE HA H 1 4.472 0 . 1 . . . . . 42 F HA . 51783 1 340 . 1 . 1 42 42 PHE HB2 H 1 3.39 0 . 2 . . . . . 42 F HB2 . 51783 1 341 . 1 . 1 42 42 PHE HB3 H 1 2.263 0 . 2 . . . . . 42 F HB3 . 51783 1 342 . 1 . 1 42 42 PHE HD1 H 1 6.687 0 . 1 . . . . . 42 F HD . 51783 1 343 . 1 . 1 42 42 PHE HD2 H 1 6.687 0 . 1 . . . . . 42 F HD . 51783 1 344 . 1 . 1 42 42 PHE C C 13 173.059 0 . 1 . . . . . 42 F C . 51783 1 345 . 1 . 1 42 42 PHE CA C 13 57.487 0.09 . 1 . . . . . 42 F CA . 51783 1 346 . 1 . 1 42 42 PHE CB C 13 37.855 0.107 . 1 . . . . . 42 F CB . 51783 1 347 . 1 . 1 42 42 PHE N N 15 110.999 0.045 . 1 . . . . . 42 F N . 51783 1 348 . 1 . 1 43 43 GLY H H 1 7.361 0.004 . 1 . . . . . 43 G H . 51783 1 349 . 1 . 1 43 43 GLY HA2 H 1 3.814 0.009 . 1 . . . . . 43 G HA . 51783 1 350 . 1 . 1 43 43 GLY HA3 H 1 3.814 0.009 . 1 . . . . . 43 G HA . 51783 1 351 . 1 . 1 43 43 GLY C C 13 175.996 0 . 1 . . . . . 43 G C . 51783 1 352 . 1 . 1 43 43 GLY CA C 13 45.848 0.095 . 1 . . . . . 43 G CA . 51783 1 353 . 1 . 1 43 43 GLY N N 15 104.668 0.024 . 1 . . . . . 43 G N . 51783 1 354 . 1 . 1 44 44 LEU H H 1 8.665 0.004 . 1 . . . . . 44 L H . 51783 1 355 . 1 . 1 44 44 LEU HA H 1 4.308 0.006 . 1 . . . . . 44 L HA . 51783 1 356 . 1 . 1 44 44 LEU HB2 H 1 1.305 0.005 . 1 . . . . . 44 L HB . 51783 1 357 . 1 . 1 44 44 LEU HB3 H 1 1.305 0.005 . 1 . . . . . 44 L HB . 51783 1 358 . 1 . 1 44 44 LEU HG H 1 1.91 0.004 . 1 . . . . . 44 L HG . 51783 1 359 . 1 . 1 44 44 LEU HD11 H 1 0.804 0.008 . 1 . . . . . 44 L HD1 . 51783 1 360 . 1 . 1 44 44 LEU HD12 H 1 0.804 0.008 . 1 . . . . . 44 L HD1 . 51783 1 361 . 1 . 1 44 44 LEU HD13 H 1 0.804 0.008 . 1 . . . . . 44 L HD1 . 51783 1 362 . 1 . 1 44 44 LEU HD21 H 1 0.917 0.01 . 1 . . . . . 44 L HD2 . 51783 1 363 . 1 . 1 44 44 LEU HD22 H 1 0.917 0.01 . 1 . . . . . 44 L HD2 . 51783 1 364 . 1 . 1 44 44 LEU HD23 H 1 0.917 0.01 . 1 . . . . . 44 L HD2 . 51783 1 365 . 1 . 1 44 44 LEU C C 13 174.225 0 . 1 . . . . . 44 L C . 51783 1 366 . 1 . 1 44 44 LEU CA C 13 51.868 0.114 . 1 . . . . . 44 L CA . 51783 1 367 . 1 . 1 44 44 LEU CB C 13 38.276 0.077 . 1 . . . . . 44 L CB . 51783 1 368 . 1 . 1 44 44 LEU CD1 C 13 21.615 0.077 . 1 . . . . . 44 L CD1 . 51783 1 369 . 1 . 1 44 44 LEU CD2 C 13 25.49 0.042 . 1 . . . . . 44 L CD2 . 51783 1 370 . 1 . 1 44 44 LEU N N 15 120.181 0.068 . 1 . . . . . 44 L N . 51783 1 371 . 1 . 1 45 45 LYS H H 1 7.582 0.002 . 1 . . . . . 45 K H . 51783 1 372 . 1 . 1 45 45 LYS CA C 13 53.426 0.061 . 1 . . . . . 45 K CA . 51783 1 373 . 1 . 1 45 45 LYS CB C 13 33.645 0.009 . 1 . . . . . 45 K CB . 51783 1 374 . 1 . 1 45 45 LYS N N 15 120.055 0.016 . 1 . . . . . 45 K N . 51783 1 375 . 1 . 1 46 46 ASN C C 13 174.428 0 . 1 . . . . . 46 N C . 51783 1 376 . 1 . 1 46 46 ASN CA C 13 52.612 0.039 . 1 . . . . . 46 N CA . 51783 1 377 . 1 . 1 46 46 ASN CB C 13 35.732 0.051 . 1 . . . . . 46 N CB . 51783 1 378 . 1 . 1 47 47 LEU H H 1 8.074 0.006 . 1 . . . . . 47 L H . 51783 1 379 . 1 . 1 47 47 LEU HA H 1 4.441 0.005 . 1 . . . . . 47 L HA . 51783 1 380 . 1 . 1 47 47 LEU HB2 H 1 1.751 0.004 . 2 . . . . . 47 L HB2 . 51783 1 381 . 1 . 1 47 47 LEU HB3 H 1 1.422 0.037 . 2 . . . . . 47 L HB3 . 51783 1 382 . 1 . 1 47 47 LEU HG H 1 1.45 0 . 1 . . . . . 47 L HG . 51783 1 383 . 1 . 1 47 47 LEU HD11 H 1 0.741 0.002 . 1 . . . . . 47 L HD1 . 51783 1 384 . 1 . 1 47 47 LEU HD12 H 1 0.741 0.002 . 1 . . . . . 47 L HD1 . 51783 1 385 . 1 . 1 47 47 LEU HD13 H 1 0.741 0.002 . 1 . . . . . 47 L HD1 . 51783 1 386 . 1 . 1 47 47 LEU HD21 H 1 0.86 0.003 . 1 . . . . . 47 L HD2 . 51783 1 387 . 1 . 1 47 47 LEU HD22 H 1 0.86 0.003 . 1 . . . . . 47 L HD2 . 51783 1 388 . 1 . 1 47 47 LEU HD23 H 1 0.86 0.003 . 1 . . . . . 47 L HD2 . 51783 1 389 . 1 . 1 47 47 LEU C C 13 177.886 0 . 1 . . . . . 47 L C . 51783 1 390 . 1 . 1 47 47 LEU CA C 13 52.833 0.077 . 1 . . . . . 47 L CA . 51783 1 391 . 1 . 1 47 47 LEU CB C 13 41.881 0.077 . 1 . . . . . 47 L CB . 51783 1 392 . 1 . 1 47 47 LEU CD1 C 13 21.568 0.056 . 1 . . . . . 47 L CD1 . 51783 1 393 . 1 . 1 47 47 LEU CD2 C 13 25.739 0.035 . 1 . . . . . 47 L CD2 . 51783 1 394 . 1 . 1 47 47 LEU N N 15 118.217 0.044 . 1 . . . . . 47 L N . 51783 1 395 . 1 . 1 48 48 SER H H 1 8.611 0.004 . 1 . . . . . 48 S H . 51783 1 396 . 1 . 1 48 48 SER C C 13 174.435 0 . 1 . . . . . 48 S C . 51783 1 397 . 1 . 1 48 48 SER CA C 13 55.773 0.083 . 1 . . . . . 48 S CA . 51783 1 398 . 1 . 1 48 48 SER CB C 13 63.733 0.054 . 1 . . . . . 48 S CB . 51783 1 399 . 1 . 1 48 48 SER N N 15 117.787 0.041 . 1 . . . . . 48 S N . 51783 1 400 . 1 . 1 49 49 GLU H H 1 8.918 0.006 . 1 . . . . . 49 E H . 51783 1 401 . 1 . 1 49 49 GLU C C 13 179.67 0 . 1 . . . . . 49 E C . 51783 1 402 . 1 . 1 49 49 GLU CA C 13 58.978 0.072 . 1 . . . . . 49 E CA . 51783 1 403 . 1 . 1 49 49 GLU CB C 13 28.073 0.091 . 1 . . . . . 49 E CB . 51783 1 404 . 1 . 1 49 49 GLU CG C 13 35.141 0 . 1 . . . . . 49 E CG . 51783 1 405 . 1 . 1 49 49 GLU N N 15 121.596 0.033 . 1 . . . . . 49 E N . 51783 1 406 . 1 . 1 50 50 LYS H H 1 8.475 0.001 . 1 . . . . . 50 K H . 51783 1 407 . 1 . 1 50 50 LYS HA H 1 3.91 0.004 . 1 . . . . . 50 K HA . 51783 1 408 . 1 . 1 50 50 LYS HB2 H 1 1.751 0 . 2 . . . . . 50 K HB2 . 51783 1 409 . 1 . 1 50 50 LYS HB3 H 1 1.574 0 . 2 . . . . . 50 K HB3 . 51783 1 410 . 1 . 1 50 50 LYS C C 13 178.578 0 . 1 . . . . . 50 K C . 51783 1 411 . 1 . 1 50 50 LYS CA C 13 57.991 0.069 . 1 . . . . . 50 K CA . 51783 1 412 . 1 . 1 50 50 LYS CB C 13 31.133 0.053 . 1 . . . . . 50 K CB . 51783 1 413 . 1 . 1 50 50 LYS N N 15 120.566 0.02 . 1 . . . . . 50 K N . 51783 1 414 . 1 . 1 51 51 SER H H 1 7.921 0.003 . 1 . . . . . 51 S H . 51783 1 415 . 1 . 1 51 51 SER C C 13 175.989 0 . 1 . . . . . 51 S C . 51783 1 416 . 1 . 1 51 51 SER CA C 13 61.572 0.153 . 1 . . . . . 51 S CA . 51783 1 417 . 1 . 1 51 51 SER CB C 13 62.446 0.131 . 1 . . . . . 51 S CB . 51783 1 418 . 1 . 1 51 51 SER N N 15 114.734 0.041 . 1 . . . . . 51 S N . 51783 1 419 . 1 . 1 52 52 ASN H H 1 8.615 0.004 . 1 . . . . . 52 N H . 51783 1 420 . 1 . 1 52 52 ASN HA H 1 4.453 0.006 . 1 . . . . . 52 N HA . 51783 1 421 . 1 . 1 52 52 ASN HB2 H 1 2.822 0.002 . 1 . . . . . 52 N HB . 51783 1 422 . 1 . 1 52 52 ASN HB3 H 1 2.822 0.002 . 1 . . . . . 52 N HB . 51783 1 423 . 1 . 1 52 52 ASN C C 13 177.682 0 . 1 . . . . . 52 N C . 51783 1 424 . 1 . 1 52 52 ASN CA C 13 55.581 0.074 . 1 . . . . . 52 N CA . 51783 1 425 . 1 . 1 52 52 ASN CB C 13 37.373 0.066 . 1 . . . . . 52 N CB . 51783 1 426 . 1 . 1 52 52 ASN N N 15 120.396 0.052 . 1 . . . . . 52 N N . 51783 1 427 . 1 . 1 53 53 ALA H H 1 7.548 0.003 . 1 . . . . . 53 A H . 51783 1 428 . 1 . 1 53 53 ALA HA H 1 4.306 0.008 . 1 . . . . . 53 A HA . 51783 1 429 . 1 . 1 53 53 ALA HB1 H 1 1.462 0.003 . 1 . . . . . 53 A HB . 51783 1 430 . 1 . 1 53 53 ALA HB2 H 1 1.462 0.003 . 1 . . . . . 53 A HB . 51783 1 431 . 1 . 1 53 53 ALA HB3 H 1 1.462 0.003 . 1 . . . . . 53 A HB . 51783 1 432 . 1 . 1 53 53 ALA C C 13 180.935 0 . 1 . . . . . 53 A C . 51783 1 433 . 1 . 1 53 53 ALA CA C 13 53.992 0.033 . 1 . . . . . 53 A CA . 51783 1 434 . 1 . 1 53 53 ALA CB C 13 16.468 0.03 . 1 . . . . . 53 A CB . 51783 1 435 . 1 . 1 53 53 ALA N N 15 122.124 0.02 . 1 . . . . . 53 A N . 51783 1 436 . 1 . 1 54 54 TYR H H 1 7.651 0.003 . 1 . . . . . 54 Y H . 51783 1 437 . 1 . 1 54 54 TYR HA H 1 4.9 0.004 . 1 . . . . . 54 Y HA . 51783 1 438 . 1 . 1 54 54 TYR HB2 H 1 3.265 0 . 1 . . . . . 54 Y HB . 51783 1 439 . 1 . 1 54 54 TYR HB3 H 1 3.265 0 . 1 . . . . . 54 Y HB . 51783 1 440 . 1 . 1 54 54 TYR HD1 H 1 7.016 0 . 1 . . . . . 54 Y HD . 51783 1 441 . 1 . 1 54 54 TYR HD2 H 1 7.016 0 . 1 . . . . . 54 Y HD . 51783 1 442 . 1 . 1 54 54 TYR C C 13 179.058 0 . 1 . . . . . 54 Y C . 51783 1 443 . 1 . 1 54 54 TYR CA C 13 57.628 0.116 . 1 . . . . . 54 Y CA . 51783 1 444 . 1 . 1 54 54 TYR CB C 13 36.659 0.058 . 1 . . . . . 54 Y CB . 51783 1 445 . 1 . 1 54 54 TYR N N 15 118.121 0.022 . 1 . . . . . 54 Y N . 51783 1 446 . 1 . 1 55 55 VAL H H 1 8.561 0.005 . 1 . . . . . 55 V H . 51783 1 447 . 1 . 1 55 55 VAL HA H 1 4.095 0.006 . 1 . . . . . 55 V HA . 51783 1 448 . 1 . 1 55 55 VAL HB H 1 2.558 0.011 . 1 . . . . . 55 V HB . 51783 1 449 . 1 . 1 55 55 VAL HG11 H 1 1.405 0.004 . 1 . . . . . 55 V HG1 . 51783 1 450 . 1 . 1 55 55 VAL HG12 H 1 1.405 0.004 . 1 . . . . . 55 V HG1 . 51783 1 451 . 1 . 1 55 55 VAL HG13 H 1 1.405 0.004 . 1 . . . . . 55 V HG1 . 51783 1 452 . 1 . 1 55 55 VAL HG21 H 1 1.318 0.013 . 1 . . . . . 55 V HG2 . 51783 1 453 . 1 . 1 55 55 VAL HG22 H 1 1.318 0.013 . 1 . . . . . 55 V HG2 . 51783 1 454 . 1 . 1 55 55 VAL HG23 H 1 1.318 0.013 . 1 . . . . . 55 V HG2 . 51783 1 455 . 1 . 1 55 55 VAL C C 13 177.69 0 . 1 . . . . . 55 V C . 51783 1 456 . 1 . 1 55 55 VAL CA C 13 65.676 0.077 . 1 . . . . . 55 V CA . 51783 1 457 . 1 . 1 55 55 VAL CB C 13 30.408 0.072 . 1 . . . . . 55 V CB . 51783 1 458 . 1 . 1 55 55 VAL CG1 C 13 24.48 0.046 . 1 . . . . . 55 V CG1 . 51783 1 459 . 1 . 1 55 55 VAL CG2 C 13 21.839 0.058 . 1 . . . . . 55 V CG2 . 51783 1 460 . 1 . 1 55 55 VAL N N 15 120.171 0.052 . 1 . . . . . 55 V N . 51783 1 461 . 1 . 1 56 56 ASN H H 1 7.919 0.003 . 1 . . . . . 56 N H . 51783 1 462 . 1 . 1 56 56 ASN HA H 1 4.534 0.003 . 1 . . . . . 56 N HA . 51783 1 463 . 1 . 1 56 56 ASN HB2 H 1 3.071 0.004 . 2 . . . . . 56 N HB2 . 51783 1 464 . 1 . 1 56 56 ASN HB3 H 1 2.899 0.01 . 2 . . . . . 56 N HB3 . 51783 1 465 . 1 . 1 56 56 ASN C C 13 177.742 0 . 1 . . . . . 56 N C . 51783 1 466 . 1 . 1 56 56 ASN CA C 13 56.055 0.094 . 1 . . . . . 56 N CA . 51783 1 467 . 1 . 1 56 56 ASN CB C 13 37.144 0.044 . 1 . . . . . 56 N CB . 51783 1 468 . 1 . 1 56 56 ASN N N 15 119.045 0.057 . 1 . . . . . 56 N N . 51783 1 469 . 1 . 1 57 57 THR H H 1 7.894 0.005 . 1 . . . . . 57 T H . 51783 1 470 . 1 . 1 57 57 THR HA H 1 4.022 0.005 . 1 . . . . . 57 T HA . 51783 1 471 . 1 . 1 57 57 THR HB H 1 4.651 0.002 . 1 . . . . . 57 T HB . 51783 1 472 . 1 . 1 57 57 THR HG21 H 1 1.517 0.005 . 1 . . . . . 57 T HG2 . 51783 1 473 . 1 . 1 57 57 THR HG22 H 1 1.517 0.005 . 1 . . . . . 57 T HG2 . 51783 1 474 . 1 . 1 57 57 THR HG23 H 1 1.517 0.005 . 1 . . . . . 57 T HG2 . 51783 1 475 . 1 . 1 57 57 THR C C 13 175.912 0 . 1 . . . . . 57 T C . 51783 1 476 . 1 . 1 57 57 THR CA C 13 65.698 0.066 . 1 . . . . . 57 T CA . 51783 1 477 . 1 . 1 57 57 THR CB C 13 67.618 0.154 . 1 . . . . . 57 T CB . 51783 1 478 . 1 . 1 57 57 THR CG2 C 13 21.537 0.024 . 1 . . . . . 57 T CG2 . 51783 1 479 . 1 . 1 57 57 THR N N 15 117.954 0.076 . 1 . . . . . 57 T N . 51783 1 480 . 1 . 1 58 58 MET H H 1 8.732 0.004 . 1 . . . . . 58 M H . 51783 1 481 . 1 . 1 58 58 MET CA C 13 58.53 0.057 . 1 . . . . . 58 M CA . 51783 1 482 . 1 . 1 58 58 MET CB C 13 33.132 0.078 . 1 . . . . . 58 M CB . 51783 1 483 . 1 . 1 58 58 MET N N 15 123.544 0.055 . 1 . . . . . 58 M N . 51783 1 484 . 1 . 1 59 59 PHE H H 1 8.298 0.003 . 1 . . . . . 59 F H . 51783 1 485 . 1 . 1 59 59 PHE HD1 H 1 7.351 0 . 1 . . . . . 59 F HD . 51783 1 486 . 1 . 1 59 59 PHE HD2 H 1 7.351 0 . 1 . . . . . 59 F HD . 51783 1 487 . 1 . 1 59 59 PHE HE1 H 1 7.353 0 . 1 . . . . . 59 F HE . 51783 1 488 . 1 . 1 59 59 PHE HE2 H 1 7.353 0 . 1 . . . . . 59 F HE . 51783 1 489 . 1 . 1 59 59 PHE C C 13 176.496 0 . 1 . . . . . 59 F C . 51783 1 490 . 1 . 1 59 59 PHE CA C 13 60.859 0.116 . 1 . . . . . 59 F CA . 51783 1 491 . 1 . 1 59 59 PHE CB C 13 38.343 0.055 . 1 . . . . . 59 F CB . 51783 1 492 . 1 . 1 59 59 PHE N N 15 117.796 0.06 . 1 . . . . . 59 F N . 51783 1 493 . 1 . 1 60 60 LYS H H 1 7.87 0.004 . 1 . . . . . 60 K H . 51783 1 494 . 1 . 1 60 60 LYS HA H 1 3.969 0.003 . 1 . . . . . 60 K HA . 51783 1 495 . 1 . 1 60 60 LYS HB2 H 1 2.033 0.001 . 1 . . . . . 60 K HB . 51783 1 496 . 1 . 1 60 60 LYS HB3 H 1 2.033 0.001 . 1 . . . . . 60 K HB . 51783 1 497 . 1 . 1 60 60 LYS C C 13 178.332 0 . 1 . . . . . 60 K C . 51783 1 498 . 1 . 1 60 60 LYS CA C 13 57.578 0.056 . 1 . . . . . 60 K CA . 51783 1 499 . 1 . 1 60 60 LYS CB C 13 30.515 0.053 . 1 . . . . . 60 K CB . 51783 1 500 . 1 . 1 60 60 LYS N N 15 117.279 0.054 . 1 . . . . . 60 K N . 51783 1 501 . 1 . 1 61 61 THR H H 1 8.214 0.004 . 1 . . . . . 61 T H . 51783 1 502 . 1 . 1 61 61 THR C C 13 176.087 0 . 1 . . . . . 61 T C . 51783 1 503 . 1 . 1 61 61 THR CA C 13 65.06 0.076 . 1 . . . . . 61 T CA . 51783 1 504 . 1 . 1 61 61 THR CB C 13 66.482 0.062 . 1 . . . . . 61 T CB . 51783 1 505 . 1 . 1 61 61 THR CG2 C 13 21.308 0 . 1 . . . . . 61 T CG2 . 51783 1 506 . 1 . 1 61 61 THR N N 15 115.983 0.047 . 1 . . . . . 61 T N . 51783 1 507 . 1 . 1 62 62 PHE H H 1 7.404 0.005 . 1 . . . . . 62 F H . 51783 1 508 . 1 . 1 62 62 PHE HD1 H 1 7.39 0 . 1 . . . . . 62 F HD . 51783 1 509 . 1 . 1 62 62 PHE HD2 H 1 7.39 0 . 1 . . . . . 62 F HD . 51783 1 510 . 1 . 1 62 62 PHE HE1 H 1 7.391 0 . 1 . . . . . 62 F HE . 51783 1 511 . 1 . 1 62 62 PHE HE2 H 1 7.391 0 . 1 . . . . . 62 F HE . 51783 1 512 . 1 . 1 62 62 PHE C C 13 175.987 0 . 1 . . . . . 62 F C . 51783 1 513 . 1 . 1 62 62 PHE CA C 13 59.405 0.073 . 1 . . . . . 62 F CA . 51783 1 514 . 1 . 1 62 62 PHE CB C 13 40.821 0.09 . 1 . . . . . 62 F CB . 51783 1 515 . 1 . 1 62 62 PHE N N 15 118.175 0.063 . 1 . . . . . 62 F N . 51783 1 516 . 1 . 1 63 63 ASP H H 1 7.471 0.005 . 1 . . . . . 63 D H . 51783 1 517 . 1 . 1 63 63 ASP HA H 1 4.483 0 . 1 . . . . . 63 D HA . 51783 1 518 . 1 . 1 63 63 ASP HB2 H 1 2.675 0 . 2 . . . . . 63 D HB2 . 51783 1 519 . 1 . 1 63 63 ASP HB3 H 1 1.596 0 . 2 . . . . . 63 D HB3 . 51783 1 520 . 1 . 1 63 63 ASP C C 13 176.432 0 . 1 . . . . . 63 D C . 51783 1 521 . 1 . 1 63 63 ASP CA C 13 51.435 0.051 . 1 . . . . . 63 D CA . 51783 1 522 . 1 . 1 63 63 ASP CB C 13 37.543 0.12 . 1 . . . . . 63 D CB . 51783 1 523 . 1 . 1 63 63 ASP N N 15 117.617 0.025 . 1 . . . . . 63 D N . 51783 1 524 . 1 . 1 64 64 ILE H H 1 7.777 0.003 . 1 . . . . . 64 I H . 51783 1 525 . 1 . 1 64 64 ILE HA H 1 3.765 0.004 . 1 . . . . . 64 I HA . 51783 1 526 . 1 . 1 64 64 ILE HB H 1 1.901 0.006 . 1 . . . . . 64 I HB . 51783 1 527 . 1 . 1 64 64 ILE HG12 H 1 1.676 0.003 . 1 . . . . . 64 I HG12 . 51783 1 528 . 1 . 1 64 64 ILE HG13 H 1 1.229 0.005 . 1 . . . . . 64 I HG13 . 51783 1 529 . 1 . 1 64 64 ILE HG21 H 1 0.934 0.005 . 1 . . . . . 64 I HG2 . 51783 1 530 . 1 . 1 64 64 ILE HG22 H 1 0.934 0.005 . 1 . . . . . 64 I HG2 . 51783 1 531 . 1 . 1 64 64 ILE HG23 H 1 0.934 0.005 . 1 . . . . . 64 I HG2 . 51783 1 532 . 1 . 1 64 64 ILE HD11 H 1 0.854 0.002 . 1 . . . . . 64 I HD1 . 51783 1 533 . 1 . 1 64 64 ILE HD12 H 1 0.854 0.002 . 1 . . . . . 64 I HD1 . 51783 1 534 . 1 . 1 64 64 ILE HD13 H 1 0.854 0.002 . 1 . . . . . 64 I HD1 . 51783 1 535 . 1 . 1 64 64 ILE C C 13 178.005 0 . 1 . . . . . 64 I C . 51783 1 536 . 1 . 1 64 64 ILE CA C 13 63.343 0.08 . 1 . . . . . 64 I CA . 51783 1 537 . 1 . 1 64 64 ILE CB C 13 37.247 0.093 . 1 . . . . . 64 I CB . 51783 1 538 . 1 . 1 64 64 ILE CG1 C 13 26.459 0.009 . 1 . . . . . 64 I CG1 . 51783 1 539 . 1 . 1 64 64 ILE CG2 C 13 16.469 0.08 . 1 . . . . . 64 I CG2 . 51783 1 540 . 1 . 1 64 64 ILE CD1 C 13 12.081 0.042 . 1 . . . . . 64 I CD1 . 51783 1 541 . 1 . 1 64 64 ILE N N 15 125.125 0.069 . 1 . . . . . 64 I N . 51783 1 542 . 1 . 1 65 65 ASP H H 1 8.096 0.005 . 1 . . . . . 65 D H . 51783 1 543 . 1 . 1 65 65 ASP HA H 1 4.538 0 . 1 . . . . . 65 D HA . 51783 1 544 . 1 . 1 65 65 ASP HB2 H 1 3.083 0 . 2 . . . . . 65 D HB2 . 51783 1 545 . 1 . 1 65 65 ASP HB3 H 1 2.568 0 . 2 . . . . . 65 D HB3 . 51783 1 546 . 1 . 1 65 65 ASP C C 13 176.151 0 . 1 . . . . . 65 D C . 51783 1 547 . 1 . 1 65 65 ASP CA C 13 51.603 0.109 . 1 . . . . . 65 D CA . 51783 1 548 . 1 . 1 65 65 ASP CB C 13 38.436 0.031 . 1 . . . . . 65 D CB . 51783 1 549 . 1 . 1 65 65 ASP N N 15 116.2 0.049 . 1 . . . . . 65 D N . 51783 1 550 . 1 . 1 66 66 ASP H H 1 7.961 0.006 . 1 . . . . . 66 D H . 51783 1 551 . 1 . 1 66 66 ASP HA H 1 4.37 0 . 1 . . . . . 66 D HA . 51783 1 552 . 1 . 1 66 66 ASP HB2 H 1 3.079 0 . 2 . . . . . 66 D HB2 . 51783 1 553 . 1 . 1 66 66 ASP HB3 H 1 2.346 0 . 2 . . . . . 66 D HB3 . 51783 1 554 . 1 . 1 66 66 ASP C C 13 175.494 0 . 1 . . . . . 66 D C . 51783 1 555 . 1 . 1 66 66 ASP CA C 13 54.253 0.088 . 1 . . . . . 66 D CA . 51783 1 556 . 1 . 1 66 66 ASP CB C 13 39.403 0.055 . 1 . . . . . 66 D CB . 51783 1 557 . 1 . 1 66 66 ASP N N 15 119.516 0.054 . 1 . . . . . 66 D N . 51783 1 558 . 1 . 1 67 67 ASP H H 1 8.581 0.003 . 1 . . . . . 67 D H . 51783 1 559 . 1 . 1 67 67 ASP HA H 1 4.643 0 . 1 . . . . . 67 D HA . 51783 1 560 . 1 . 1 67 67 ASP HB2 H 1 3.006 0 . 2 . . . . . 67 D HB2 . 51783 1 561 . 1 . 1 67 67 ASP HB3 H 1 2.452 0 . 2 . . . . . 67 D HB3 . 51783 1 562 . 1 . 1 67 67 ASP C C 13 178.393 0 . 1 . . . . . 67 D C . 51783 1 563 . 1 . 1 67 67 ASP CA C 13 52.326 0.096 . 1 . . . . . 67 D CA . 51783 1 564 . 1 . 1 67 67 ASP CB C 13 39.789 0.065 . 1 . . . . . 67 D CB . 51783 1 565 . 1 . 1 67 67 ASP N N 15 118.662 0.028 . 1 . . . . . 67 D N . 51783 1 566 . 1 . 1 68 68 GLY H H 1 10.63 0.004 . 1 . . . . . 68 G H . 51783 1 567 . 1 . 1 68 68 GLY HA2 H 1 4.125 0 . 2 . . . . . 68 G HA2 . 51783 1 568 . 1 . 1 68 68 GLY HA3 H 1 3.685 0 . 2 . . . . . 68 G HA3 . 51783 1 569 . 1 . 1 68 68 GLY C C 13 173.788 0 . 1 . . . . . 68 G C . 51783 1 570 . 1 . 1 68 68 GLY CA C 13 44.375 0.062 . 1 . . . . . 68 G CA . 51783 1 571 . 1 . 1 68 68 GLY N N 15 113.697 0.056 . 1 . . . . . 68 G N . 51783 1 572 . 1 . 1 69 69 CYS H H 1 8.337 0.006 . 1 . . . . . 69 C H . 51783 1 573 . 1 . 1 69 69 CYS HA H 1 5.274 0 . 1 . . . . . 69 C HA . 51783 1 574 . 1 . 1 69 69 CYS HB2 H 1 2.829 0 . 2 . . . . . 69 C HB2 . 51783 1 575 . 1 . 1 69 69 CYS HB3 H 1 2.587 0 . 2 . . . . . 69 C HB3 . 51783 1 576 . 1 . 1 69 69 CYS C C 13 172.781 0 . 1 . . . . . 69 C C . 51783 1 577 . 1 . 1 69 69 CYS CA C 13 55.066 0.08 . 1 . . . . . 69 C CA . 51783 1 578 . 1 . 1 69 69 CYS CB C 13 30.496 0.059 . 1 . . . . . 69 C CB . 51783 1 579 . 1 . 1 69 69 CYS N N 15 118.026 0.054 . 1 . . . . . 69 C N . 51783 1 580 . 1 . 1 70 70 ILE H H 1 9.38 0.005 . 1 . . . . . 70 I H . 51783 1 581 . 1 . 1 70 70 ILE HA H 1 4.951 0.003 . 1 . . . . . 70 I HA . 51783 1 582 . 1 . 1 70 70 ILE HB H 1 2.018 0.007 . 1 . . . . . 70 I HB . 51783 1 583 . 1 . 1 70 70 ILE HG12 H 1 1.094 0.013 . 1 . . . . . 70 I HG12 . 51783 1 584 . 1 . 1 70 70 ILE HG13 H 1 0.648 0 . 1 . . . . . 70 I HG13 . 51783 1 585 . 1 . 1 70 70 ILE HG21 H 1 1.082 0.004 . 1 . . . . . 70 I HG2 . 51783 1 586 . 1 . 1 70 70 ILE HG22 H 1 1.082 0.004 . 1 . . . . . 70 I HG2 . 51783 1 587 . 1 . 1 70 70 ILE HG23 H 1 1.082 0.004 . 1 . . . . . 70 I HG2 . 51783 1 588 . 1 . 1 70 70 ILE HD11 H 1 0.264 0.003 . 1 . . . . . 70 I HD1 . 51783 1 589 . 1 . 1 70 70 ILE HD12 H 1 0.264 0.003 . 1 . . . . . 70 I HD1 . 51783 1 590 . 1 . 1 70 70 ILE HD13 H 1 0.264 0.003 . 1 . . . . . 70 I HD1 . 51783 1 591 . 1 . 1 70 70 ILE C C 13 175.78 0 . 1 . . . . . 70 I C . 51783 1 592 . 1 . 1 70 70 ILE CA C 13 58.236 0.078 . 1 . . . . . 70 I CA . 51783 1 593 . 1 . 1 70 70 ILE CB C 13 37.556 0.144 . 1 . . . . . 70 I CB . 51783 1 594 . 1 . 1 70 70 ILE CG1 C 13 26.034 0 . 1 . . . . . 70 I CG1 . 51783 1 595 . 1 . 1 70 70 ILE CG2 C 13 16.566 0.066 . 1 . . . . . 70 I CG2 . 51783 1 596 . 1 . 1 70 70 ILE CD1 C 13 14.236 0.026 . 1 . . . . . 70 I CD1 . 51783 1 597 . 1 . 1 70 70 ILE N N 15 126.555 0.039 . 1 . . . . . 70 I N . 51783 1 598 . 1 . 1 71 71 ASP H H 1 9.174 0.004 . 1 . . . . . 71 D H . 51783 1 599 . 1 . 1 71 71 ASP C C 13 176.343 0 . 1 . . . . . 71 D C . 51783 1 600 . 1 . 1 71 71 ASP CA C 13 50.945 0.089 . 1 . . . . . 71 D CA . 51783 1 601 . 1 . 1 71 71 ASP CB C 13 40.89 0.1 . 1 . . . . . 71 D CB . 51783 1 602 . 1 . 1 71 71 ASP N N 15 128.307 0.058 . 1 . . . . . 71 D N . 51783 1 603 . 1 . 1 72 72 PHE H H 1 8.249 0.004 . 1 . . . . . 72 F H . 51783 1 604 . 1 . 1 72 72 PHE HD1 H 1 6.699 0 . 1 . . . . . 72 F HD . 51783 1 605 . 1 . 1 72 72 PHE HD2 H 1 6.699 0 . 1 . . . . . 72 F HD . 51783 1 606 . 1 . 1 72 72 PHE C C 13 176.796 0 . 1 . . . . . 72 F C . 51783 1 607 . 1 . 1 72 72 PHE CA C 13 59.462 0.069 . 1 . . . . . 72 F CA . 51783 1 608 . 1 . 1 72 72 PHE CB C 13 38.078 0.1 . 1 . . . . . 72 F CB . 51783 1 609 . 1 . 1 72 72 PHE N N 15 118.002 0.083 . 1 . . . . . 72 F N . 51783 1 610 . 1 . 1 73 73 MET H H 1 8.185 0.001 . 1 . . . . . 73 M H . 51783 1 611 . 1 . 1 73 73 MET CA C 13 56.658 0.052 . 1 . . . . . 73 M CA . 51783 1 612 . 1 . 1 73 73 MET CB C 13 29.891 0.061 . 1 . . . . . 73 M CB . 51783 1 613 . 1 . 1 73 73 MET N N 15 115.59 0.025 . 1 . . . . . 73 M N . 51783 1 614 . 1 . 1 75 75 TYR HD1 H 1 6.776 0 . 1 . . . . . 75 Y HD . 51783 1 615 . 1 . 1 75 75 TYR HD2 H 1 6.776 0 . 1 . . . . . 75 Y HD . 51783 1 616 . 1 . 1 75 75 TYR HE1 H 1 6.717 0 . 1 . . . . . 75 Y HE . 51783 1 617 . 1 . 1 75 75 TYR HE2 H 1 6.717 0 . 1 . . . . . 75 Y HE . 51783 1 618 . 1 . 1 75 75 TYR C C 13 176.169 0 . 1 . . . . . 75 Y C . 51783 1 619 . 1 . 1 75 75 TYR CA C 13 60.625 0.05 . 1 . . . . . 75 Y CA . 51783 1 620 . 1 . 1 75 75 TYR CB C 13 37.697 0.052 . 1 . . . . . 75 Y CB . 51783 1 621 . 1 . 1 76 76 VAL H H 1 8.508 0.004 . 1 . . . . . 76 V H . 51783 1 622 . 1 . 1 76 76 VAL HA H 1 3.607 0.001 . 1 . . . . . 76 V HA . 51783 1 623 . 1 . 1 76 76 VAL HB H 1 2.349 0.002 . 1 . . . . . 76 V HB . 51783 1 624 . 1 . 1 76 76 VAL HG11 H 1 1.242 0.003 . 1 . . . . . 76 V HG1 . 51783 1 625 . 1 . 1 76 76 VAL HG12 H 1 1.242 0.003 . 1 . . . . . 76 V HG1 . 51783 1 626 . 1 . 1 76 76 VAL HG13 H 1 1.242 0.003 . 1 . . . . . 76 V HG1 . 51783 1 627 . 1 . 1 76 76 VAL HG21 H 1 0.973 0.003 . 1 . . . . . 76 V HG2 . 51783 1 628 . 1 . 1 76 76 VAL HG22 H 1 0.973 0.003 . 1 . . . . . 76 V HG2 . 51783 1 629 . 1 . 1 76 76 VAL HG23 H 1 0.973 0.003 . 1 . . . . . 76 V HG2 . 51783 1 630 . 1 . 1 76 76 VAL C C 13 177.948 0 . 1 . . . . . 76 V C . 51783 1 631 . 1 . 1 76 76 VAL CA C 13 64.964 0.178 . 1 . . . . . 76 V CA . 51783 1 632 . 1 . 1 76 76 VAL CB C 13 30.65 0.185 . 1 . . . . . 76 V CB . 51783 1 633 . 1 . 1 76 76 VAL CG1 C 13 22.193 0.065 . 1 . . . . . 76 V CG1 . 51783 1 634 . 1 . 1 76 76 VAL CG2 C 13 21.247 0.062 . 1 . . . . . 76 V CG2 . 51783 1 635 . 1 . 1 76 76 VAL N N 15 117.012 0.039 . 1 . . . . . 76 V N . 51783 1 636 . 1 . 1 77 77 ALA H H 1 8.107 0.004 . 1 . . . . . 77 A H . 51783 1 637 . 1 . 1 77 77 ALA HA H 1 3.727 0.004 . 1 . . . . . 77 A HA . 51783 1 638 . 1 . 1 77 77 ALA HB1 H 1 1.373 0.003 . 1 . . . . . 77 A HB . 51783 1 639 . 1 . 1 77 77 ALA HB2 H 1 1.373 0.003 . 1 . . . . . 77 A HB . 51783 1 640 . 1 . 1 77 77 ALA HB3 H 1 1.373 0.003 . 1 . . . . . 77 A HB . 51783 1 641 . 1 . 1 77 77 ALA C C 13 179.569 0 . 1 . . . . . 77 A C . 51783 1 642 . 1 . 1 77 77 ALA CA C 13 54.07 0.037 . 1 . . . . . 77 A CA . 51783 1 643 . 1 . 1 77 77 ALA CB C 13 16.885 0.055 . 1 . . . . . 77 A CB . 51783 1 644 . 1 . 1 77 77 ALA N N 15 122.544 0.038 . 1 . . . . . 77 A N . 51783 1 645 . 1 . 1 78 78 ALA H H 1 6.982 0.003 . 1 . . . . . 78 A H . 51783 1 646 . 1 . 1 78 78 ALA HA H 1 3.709 0.059 . 1 . . . . . 78 A HA . 51783 1 647 . 1 . 1 78 78 ALA HB1 H 1 0.936 0.037 . 1 . . . . . 78 A HB . 51783 1 648 . 1 . 1 78 78 ALA HB2 H 1 0.936 0.037 . 1 . . . . . 78 A HB . 51783 1 649 . 1 . 1 78 78 ALA HB3 H 1 0.936 0.037 . 1 . . . . . 78 A HB . 51783 1 650 . 1 . 1 78 78 ALA C C 13 177.313 0 . 1 . . . . . 78 A C . 51783 1 651 . 1 . 1 78 78 ALA CA C 13 53.202 0.045 . 1 . . . . . 78 A CA . 51783 1 652 . 1 . 1 78 78 ALA CB C 13 17.268 0.146 . 1 . . . . . 78 A CB . 51783 1 653 . 1 . 1 78 78 ALA N N 15 118.551 0.029 . 1 . . . . . 78 A N . 51783 1 654 . 1 . 1 79 79 LEU H H 1 7.614 0.047 . 1 . . . . . 79 L H . 51783 1 655 . 1 . 1 79 79 LEU HA H 1 3.249 0.004 . 1 . . . . . 79 L HA . 51783 1 656 . 1 . 1 79 79 LEU HB2 H 1 0.902 0.009 . 2 . . . . . 79 L HB2 . 51783 1 657 . 1 . 1 79 79 LEU HB3 H 1 0.058 0.014 . 2 . . . . . 79 L HB3 . 51783 1 658 . 1 . 1 79 79 LEU HG H 1 1.184 0.028 . 1 . . . . . 79 L HG . 51783 1 659 . 1 . 1 79 79 LEU HD11 H 1 0.381 0.008 . 1 . . . . . 79 L HD1 . 51783 1 660 . 1 . 1 79 79 LEU HD12 H 1 0.381 0.008 . 1 . . . . . 79 L HD1 . 51783 1 661 . 1 . 1 79 79 LEU HD13 H 1 0.381 0.008 . 1 . . . . . 79 L HD1 . 51783 1 662 . 1 . 1 79 79 LEU HD21 H 1 0.339 0.006 . 1 . . . . . 79 L HD2 . 51783 1 663 . 1 . 1 79 79 LEU HD22 H 1 0.339 0.006 . 1 . . . . . 79 L HD2 . 51783 1 664 . 1 . 1 79 79 LEU HD23 H 1 0.339 0.006 . 1 . . . . . 79 L HD2 . 51783 1 665 . 1 . 1 79 79 LEU C C 13 179.347 0 . 1 . . . . . 79 L C . 51783 1 666 . 1 . 1 79 79 LEU CA C 13 55.023 0.073 . 1 . . . . . 79 L CA . 51783 1 667 . 1 . 1 79 79 LEU CB C 13 38.124 0.075 . 1 . . . . . 79 L CB . 51783 1 668 . 1 . 1 79 79 LEU CD1 C 13 22.394 0.052 . 1 . . . . . 79 L CD1 . 51783 1 669 . 1 . 1 79 79 LEU CD2 C 13 23.415 0.048 . 1 . . . . . 79 L CD2 . 51783 1 670 . 1 . 1 79 79 LEU N N 15 117.964 0.105 . 1 . . . . . 79 L N . 51783 1 671 . 1 . 1 80 80 SER H H 1 8.119 0.003 . 1 . . . . . 80 S H . 51783 1 672 . 1 . 1 80 80 SER HA H 1 3.724 0 . 1 . . . . . 80 S HA . 51783 1 673 . 1 . 1 80 80 SER HB2 H 1 3.551 0.009 . 1 . . . . . 80 S HB . 51783 1 674 . 1 . 1 80 80 SER HB3 H 1 3.551 0.009 . 1 . . . . . 80 S HB . 51783 1 675 . 1 . 1 80 80 SER C C 13 175.883 0 . 1 . . . . . 80 S C . 51783 1 676 . 1 . 1 80 80 SER CA C 13 60.15 0.091 . 1 . . . . . 80 S CA . 51783 1 677 . 1 . 1 80 80 SER CB C 13 61.745 0.051 . 1 . . . . . 80 S CB . 51783 1 678 . 1 . 1 80 80 SER N N 15 109.239 0.07 . 1 . . . . . 80 S N . 51783 1 679 . 1 . 1 81 81 LEU H H 1 6.929 0.006 . 1 . . . . . 81 L H . 51783 1 680 . 1 . 1 81 81 LEU HA H 1 3.626 0.006 . 1 . . . . . 81 L HA . 51783 1 681 . 1 . 1 81 81 LEU HB2 H 1 1.224 0.012 . 1 . . . . . 81 L HB . 51783 1 682 . 1 . 1 81 81 LEU HB3 H 1 1.224 0.012 . 1 . . . . . 81 L HB . 51783 1 683 . 1 . 1 81 81 LEU HD11 H 1 -0.069 0.03 . 1 . . . . . 81 L HD1 . 51783 1 684 . 1 . 1 81 81 LEU HD12 H 1 -0.069 0.03 . 1 . . . . . 81 L HD1 . 51783 1 685 . 1 . 1 81 81 LEU HD13 H 1 -0.069 0.03 . 1 . . . . . 81 L HD1 . 51783 1 686 . 1 . 1 81 81 LEU HD21 H 1 -0.052 0.031 . 1 . . . . . 81 L HD2 . 51783 1 687 . 1 . 1 81 81 LEU HD22 H 1 -0.052 0.031 . 1 . . . . . 81 L HD2 . 51783 1 688 . 1 . 1 81 81 LEU HD23 H 1 -0.052 0.031 . 1 . . . . . 81 L HD2 . 51783 1 689 . 1 . 1 81 81 LEU C C 13 178.206 0 . 1 . . . . . 81 L C . 51783 1 690 . 1 . 1 81 81 LEU CA C 13 55.206 0.104 . 1 . . . . . 81 L CA . 51783 1 691 . 1 . 1 81 81 LEU CB C 13 39.988 0.09 . 1 . . . . . 81 L CB . 51783 1 692 . 1 . 1 81 81 LEU CD1 C 13 20.171 0.048 . 1 . . . . . 81 L CD1 . 51783 1 693 . 1 . 1 81 81 LEU CD2 C 13 23.985 0.06 . 1 . . . . . 81 L CD2 . 51783 1 694 . 1 . 1 81 81 LEU N N 15 121.063 0.034 . 1 . . . . . 81 L N . 51783 1 695 . 1 . 1 82 82 VAL H H 1 7.26 0.005 . 1 . . . . . 82 V H . 51783 1 696 . 1 . 1 82 82 VAL HA H 1 4.528 0.004 . 1 . . . . . 82 V HA . 51783 1 697 . 1 . 1 82 82 VAL HB H 1 2.409 0.009 . 1 . . . . . 82 V HB . 51783 1 698 . 1 . 1 82 82 VAL HG11 H 1 0.586 0.005 . 1 . . . . . 82 V HG1 . 51783 1 699 . 1 . 1 82 82 VAL HG12 H 1 0.586 0.005 . 1 . . . . . 82 V HG1 . 51783 1 700 . 1 . 1 82 82 VAL HG13 H 1 0.586 0.005 . 1 . . . . . 82 V HG1 . 51783 1 701 . 1 . 1 82 82 VAL HG21 H 1 0.375 0.01 . 1 . . . . . 82 V HG2 . 51783 1 702 . 1 . 1 82 82 VAL HG22 H 1 0.375 0.01 . 1 . . . . . 82 V HG2 . 51783 1 703 . 1 . 1 82 82 VAL HG23 H 1 0.375 0.01 . 1 . . . . . 82 V HG2 . 51783 1 704 . 1 . 1 82 82 VAL C C 13 176.093 0 . 1 . . . . . 82 V C . 51783 1 705 . 1 . 1 82 82 VAL CA C 13 59.097 0.086 . 1 . . . . . 82 V CA . 51783 1 706 . 1 . 1 82 82 VAL CB C 13 30.005 0.112 . 1 . . . . . 82 V CB . 51783 1 707 . 1 . 1 82 82 VAL CG1 C 13 17.3 0.032 . 1 . . . . . 82 V CG1 . 51783 1 708 . 1 . 1 82 82 VAL CG2 C 13 21.435 0.097 . 1 . . . . . 82 V CG2 . 51783 1 709 . 1 . 1 82 82 VAL N N 15 106.278 0.072 . 1 . . . . . 82 V N . 51783 1 710 . 1 . 1 83 83 LEU H H 1 6.974 0.004 . 1 . . . . . 83 L H . 51783 1 711 . 1 . 1 83 83 LEU HA H 1 4.133 0.008 . 1 . . . . . 83 L HA . 51783 1 712 . 1 . 1 83 83 LEU HB2 H 1 1.66 0.031 . 2 . . . . . 83 L HB2 . 51783 1 713 . 1 . 1 83 83 LEU HB3 H 1 1.494 0.009 . 2 . . . . . 83 L HB3 . 51783 1 714 . 1 . 1 83 83 LEU HG H 1 1.607 0.005 . 1 . . . . . 83 L HG . 51783 1 715 . 1 . 1 83 83 LEU HD11 H 1 0.468 0.005 . 1 . . . . . 83 L HD1 . 51783 1 716 . 1 . 1 83 83 LEU HD12 H 1 0.468 0.005 . 1 . . . . . 83 L HD1 . 51783 1 717 . 1 . 1 83 83 LEU HD13 H 1 0.468 0.005 . 1 . . . . . 83 L HD1 . 51783 1 718 . 1 . 1 83 83 LEU HD21 H 1 0.812 0.004 . 1 . . . . . 83 L HD2 . 51783 1 719 . 1 . 1 83 83 LEU HD22 H 1 0.812 0.004 . 1 . . . . . 83 L HD2 . 51783 1 720 . 1 . 1 83 83 LEU HD23 H 1 0.812 0.004 . 1 . . . . . 83 L HD2 . 51783 1 721 . 1 . 1 83 83 LEU C C 13 177.12 0 . 1 . . . . . 83 L C . 51783 1 722 . 1 . 1 83 83 LEU CA C 13 55.421 0.058 . 1 . . . . . 83 L CA . 51783 1 723 . 1 . 1 83 83 LEU CB C 13 41.294 0.077 . 1 . . . . . 83 L CB . 51783 1 724 . 1 . 1 83 83 LEU CD1 C 13 21.671 0.063 . 1 . . . . . 83 L CD1 . 51783 1 725 . 1 . 1 83 83 LEU CD2 C 13 24.306 0.05 . 1 . . . . . 83 L CD2 . 51783 1 726 . 1 . 1 83 83 LEU N N 15 121.138 0.032 . 1 . . . . . 83 L N . 51783 1 727 . 1 . 1 84 84 LYS H H 1 7.834 0.006 . 1 . . . . . 84 K H . 51783 1 728 . 1 . 1 84 84 LYS CA C 13 53.192 0.053 . 1 . . . . . 84 K CA . 51783 1 729 . 1 . 1 84 84 LYS CB C 13 34.359 0.056 . 1 . . . . . 84 K CB . 51783 1 730 . 1 . 1 84 84 LYS N N 15 117.234 0.041 . 1 . . . . . 84 K N . 51783 1 731 . 1 . 1 85 85 GLY H H 1 8.26 0.002 . 1 . . . . . 85 G H . 51783 1 732 . 1 . 1 85 85 GLY HA2 H 1 4.428 0 . 2 . . . . . 85 G HA2 . 51783 1 733 . 1 . 1 85 85 GLY HA3 H 1 3.798 0 . 2 . . . . . 85 G HA3 . 51783 1 734 . 1 . 1 85 85 GLY CA C 13 42.365 0.062 . 1 . . . . . 85 G CA . 51783 1 735 . 1 . 1 85 85 GLY N N 15 107.165 0.064 . 1 . . . . . 85 G N . 51783 1 736 . 1 . 1 86 86 GLY H H 1 8.237 0.002 . 1 . . . . . 86 G H . 51783 1 737 . 1 . 1 86 86 GLY C C 13 174.68 0 . 1 . . . . . 86 G C . 51783 1 738 . 1 . 1 86 86 GLY CA C 13 43.258 0.062 . 1 . . . . . 86 G CA . 51783 1 739 . 1 . 1 86 86 GLY N N 15 105.476 0.032 . 1 . . . . . 86 G N . 51783 1 740 . 1 . 1 87 87 VAL H H 1 8.582 0.006 . 1 . . . . . 87 V H . 51783 1 741 . 1 . 1 87 87 VAL HA H 1 3.672 0.005 . 1 . . . . . 87 V HA . 51783 1 742 . 1 . 1 87 87 VAL HB H 1 2.164 0.007 . 1 . . . . . 87 V HB . 51783 1 743 . 1 . 1 87 87 VAL HG11 H 1 1.016 0.042 . 1 . . . . . 87 V HG1 . 51783 1 744 . 1 . 1 87 87 VAL HG12 H 1 1.016 0.042 . 1 . . . . . 87 V HG1 . 51783 1 745 . 1 . 1 87 87 VAL HG13 H 1 1.016 0.042 . 1 . . . . . 87 V HG1 . 51783 1 746 . 1 . 1 87 87 VAL HG21 H 1 0.938 0.005 . 1 . . . . . 87 V HG2 . 51783 1 747 . 1 . 1 87 87 VAL HG22 H 1 0.938 0.005 . 1 . . . . . 87 V HG2 . 51783 1 748 . 1 . 1 87 87 VAL HG23 H 1 0.938 0.005 . 1 . . . . . 87 V HG2 . 51783 1 749 . 1 . 1 87 87 VAL C C 13 176.77 0 . 1 . . . . . 87 V C . 51783 1 750 . 1 . 1 87 87 VAL CA C 13 65.499 0.077 . 1 . . . . . 87 V CA . 51783 1 751 . 1 . 1 87 87 VAL CB C 13 30.493 0.097 . 1 . . . . . 87 V CB . 51783 1 752 . 1 . 1 87 87 VAL CG1 C 13 22.092 0.245 . 1 . . . . . 87 V CG1 . 51783 1 753 . 1 . 1 87 87 VAL CG2 C 13 19.915 0.044 . 1 . . . . . 87 V CG2 . 51783 1 754 . 1 . 1 87 87 VAL N N 15 120.053 0.038 . 1 . . . . . 87 V N . 51783 1 755 . 1 . 1 88 88 GLN H H 1 8.666 0.003 . 1 . . . . . 88 Q H . 51783 1 756 . 1 . 1 88 88 GLN C C 13 177.511 0 . 1 . . . . . 88 Q C . 51783 1 757 . 1 . 1 88 88 GLN CA C 13 58.897 0.036 . 1 . . . . . 88 Q CA . 51783 1 758 . 1 . 1 88 88 GLN CB C 13 26.343 0.029 . 1 . . . . . 88 Q CB . 51783 1 759 . 1 . 1 88 88 GLN N N 15 118.242 0.064 . 1 . . . . . 88 Q N . 51783 1 760 . 1 . 1 89 89 GLN H H 1 7.453 0.002 . 1 . . . . . 89 Q H . 51783 1 761 . 1 . 1 89 89 GLN CA C 13 57.96 0.15 . 1 . . . . . 89 Q CA . 51783 1 762 . 1 . 1 89 89 GLN CB C 13 27.43 0.02 . 1 . . . . . 89 Q CB . 51783 1 763 . 1 . 1 89 89 GLN N N 15 117.932 0.06 . 1 . . . . . 89 Q N . 51783 1 764 . 1 . 1 90 90 LYS H H 1 8.351 0.001 . 1 . . . . . 90 K H . 51783 1 765 . 1 . 1 90 90 LYS C C 13 179.228 0 . 1 . . . . . 90 K C . 51783 1 766 . 1 . 1 90 90 LYS CA C 13 59.437 0.137 . 1 . . . . . 90 K CA . 51783 1 767 . 1 . 1 90 90 LYS CB C 13 33.261 0.039 . 1 . . . . . 90 K CB . 51783 1 768 . 1 . 1 90 90 LYS N N 15 117.032 0.002 . 1 . . . . . 90 K N . 51783 1 769 . 1 . 1 91 91 LEU H H 1 8.645 0.006 . 1 . . . . . 91 L H . 51783 1 770 . 1 . 1 91 91 LEU HA H 1 4.147 0.012 . 1 . . . . . 91 L HA . 51783 1 771 . 1 . 1 91 91 LEU HB2 H 1 1.992 0.003 . 2 . . . . . 91 L HB2 . 51783 1 772 . 1 . 1 91 91 LEU HB3 H 1 1.401 0 . 2 . . . . . 91 L HB3 . 51783 1 773 . 1 . 1 91 91 LEU HD11 H 1 0.72 0.003 . 1 . . . . . 91 L HD1 . 51783 1 774 . 1 . 1 91 91 LEU HD12 H 1 0.72 0.003 . 1 . . . . . 91 L HD1 . 51783 1 775 . 1 . 1 91 91 LEU HD13 H 1 0.72 0.003 . 1 . . . . . 91 L HD1 . 51783 1 776 . 1 . 1 91 91 LEU HD21 H 1 0.907 0.003 . 1 . . . . . 91 L HD2 . 51783 1 777 . 1 . 1 91 91 LEU HD22 H 1 0.907 0.003 . 1 . . . . . 91 L HD2 . 51783 1 778 . 1 . 1 91 91 LEU HD23 H 1 0.907 0.003 . 1 . . . . . 91 L HD2 . 51783 1 779 . 1 . 1 91 91 LEU C C 13 177.276 0 . 1 . . . . . 91 L C . 51783 1 780 . 1 . 1 91 91 LEU CA C 13 57.165 0.095 . 1 . . . . . 91 L CA . 51783 1 781 . 1 . 1 91 91 LEU CB C 13 40.785 0.085 . 1 . . . . . 91 L CB . 51783 1 782 . 1 . 1 91 91 LEU CD1 C 13 21.802 0.035 . 1 . . . . . 91 L CD1 . 51783 1 783 . 1 . 1 91 91 LEU CD2 C 13 25.805 0.048 . 1 . . . . . 91 L CD2 . 51783 1 784 . 1 . 1 91 91 LEU N N 15 117.033 0.052 . 1 . . . . . 91 L N . 51783 1 785 . 1 . 1 92 92 ARG H H 1 7.648 0.004 . 1 . . . . . 92 R H . 51783 1 786 . 1 . 1 92 92 ARG HA H 1 3.906 0.004 . 1 . . . . . 92 R HA . 51783 1 787 . 1 . 1 92 92 ARG HB2 H 1 1.514 0 . 1 . . . . . 92 R HB . 51783 1 788 . 1 . 1 92 92 ARG HB3 H 1 1.514 0 . 1 . . . . . 92 R HB . 51783 1 789 . 1 . 1 92 92 ARG C C 13 179.195 0 . 1 . . . . . 92 R C . 51783 1 790 . 1 . 1 92 92 ARG CA C 13 59.148 0.035 . 1 . . . . . 92 R CA . 51783 1 791 . 1 . 1 92 92 ARG CB C 13 28.201 0.018 . 1 . . . . . 92 R CB . 51783 1 792 . 1 . 1 92 92 ARG N N 15 116.151 0.346 . 1 . . . . . 92 R N . 51783 1 793 . 1 . 1 93 93 TRP H H 1 7.258 0.004 . 1 . . . . . 93 W H . 51783 1 794 . 1 . 1 93 93 TRP HD1 H 1 7.253 0.004 . 1 . . . . . 93 W HD1 . 51783 1 795 . 1 . 1 93 93 TRP C C 13 178.019 0 . 1 . . . . . 93 W C . 51783 1 796 . 1 . 1 93 93 TRP CA C 13 58.861 0.057 . 1 . . . . . 93 W CA . 51783 1 797 . 1 . 1 93 93 TRP CB C 13 28.208 0.049 . 1 . . . . . 93 W CB . 51783 1 798 . 1 . 1 93 93 TRP N N 15 117.59 0.028 . 1 . . . . . 93 W N . 51783 1 799 . 1 . 1 94 94 TYR H H 1 8.237 0.006 . 1 . . . . . 94 Y H . 51783 1 800 . 1 . 1 94 94 TYR HA H 1 3.851 0.002 . 1 . . . . . 94 Y HA . 51783 1 801 . 1 . 1 94 94 TYR HB2 H 1 2.942 0 . 2 . . . . . 94 Y HB2 . 51783 1 802 . 1 . 1 94 94 TYR HB3 H 1 2.633 0.016 . 2 . . . . . 94 Y HB3 . 51783 1 803 . 1 . 1 94 94 TYR HD1 H 1 6.926 0 . 1 . . . . . 94 Y HD . 51783 1 804 . 1 . 1 94 94 TYR HD2 H 1 6.926 0 . 1 . . . . . 94 Y HD . 51783 1 805 . 1 . 1 94 94 TYR HE1 H 1 6.647 0 . 1 . . . . . 94 Y HE . 51783 1 806 . 1 . 1 94 94 TYR HE2 H 1 6.647 0 . 1 . . . . . 94 Y HE . 51783 1 807 . 1 . 1 94 94 TYR C C 13 178.875 0 . 1 . . . . . 94 Y C . 51783 1 808 . 1 . 1 94 94 TYR CA C 13 62.393 0.121 . 1 . . . . . 94 Y CA . 51783 1 809 . 1 . 1 94 94 TYR CB C 13 36.926 0.043 . 1 . . . . . 94 Y CB . 51783 1 810 . 1 . 1 94 94 TYR N N 15 116.71 0.047 . 1 . . . . . 94 Y N . 51783 1 811 . 1 . 1 95 95 PHE H H 1 8.194 0.006 . 1 . . . . . 95 F H . 51783 1 812 . 1 . 1 95 95 PHE HA H 1 4.55 0 . 1 . . . . . 95 F HA . 51783 1 813 . 1 . 1 95 95 PHE HB2 H 1 3.365 0 . 2 . . . . . 95 F HB2 . 51783 1 814 . 1 . 1 95 95 PHE HB3 H 1 2.863 0 . 2 . . . . . 95 F HB3 . 51783 1 815 . 1 . 1 95 95 PHE HD1 H 1 7.016 0 . 1 . . . . . 95 F HD . 51783 1 816 . 1 . 1 95 95 PHE HD2 H 1 7.016 0 . 1 . . . . . 95 F HD . 51783 1 817 . 1 . 1 95 95 PHE C C 13 178.563 0 . 1 . . . . . 95 F C . 51783 1 818 . 1 . 1 95 95 PHE CA C 13 59.94 0.16 . 1 . . . . . 95 F CA . 51783 1 819 . 1 . 1 95 95 PHE CB C 13 36.673 0.099 . 1 . . . . . 95 F CB . 51783 1 820 . 1 . 1 95 95 PHE N N 15 112.639 0.1 . 1 . . . . . 95 F N . 51783 1 821 . 1 . 1 96 96 LYS H H 1 7.832 0.005 . 1 . . . . . 96 K H . 51783 1 822 . 1 . 1 96 96 LYS HA H 1 4.219 0.004 . 1 . . . . . 96 K HA . 51783 1 823 . 1 . 1 96 96 LYS HB2 H 1 2.05 0 . 1 . . . . . 96 K HB . 51783 1 824 . 1 . 1 96 96 LYS HB3 H 1 2.05 0 . 1 . . . . . 96 K HB . 51783 1 825 . 1 . 1 96 96 LYS C C 13 177.363 0 . 1 . . . . . 96 K C . 51783 1 826 . 1 . 1 96 96 LYS CA C 13 57.026 0.073 . 1 . . . . . 96 K CA . 51783 1 827 . 1 . 1 96 96 LYS CB C 13 30.447 0.053 . 1 . . . . . 96 K CB . 51783 1 828 . 1 . 1 96 96 LYS N N 15 120.979 0.028 . 1 . . . . . 96 K N . 51783 1 829 . 1 . 1 97 97 LEU H H 1 7.451 0.003 . 1 . . . . . 97 L H . 51783 1 830 . 1 . 1 97 97 LEU HA H 1 3.737 0.005 . 1 . . . . . 97 L HA . 51783 1 831 . 1 . 1 97 97 LEU HB2 H 1 1.114 0.005 . 2 . . . . . 97 L HB2 . 51783 1 832 . 1 . 1 97 97 LEU HB3 H 1 0.645 0.009 . 2 . . . . . 97 L HB3 . 51783 1 833 . 1 . 1 97 97 LEU HG H 1 1.577 0.004 . 1 . . . . . 97 L HG . 51783 1 834 . 1 . 1 97 97 LEU HD11 H 1 0.606 0.008 . 1 . . . . . 97 L HD1 . 51783 1 835 . 1 . 1 97 97 LEU HD12 H 1 0.606 0.008 . 1 . . . . . 97 L HD1 . 51783 1 836 . 1 . 1 97 97 LEU HD13 H 1 0.606 0.008 . 1 . . . . . 97 L HD1 . 51783 1 837 . 1 . 1 97 97 LEU HD21 H 1 0.857 0.005 . 1 . . . . . 97 L HD2 . 51783 1 838 . 1 . 1 97 97 LEU HD22 H 1 0.857 0.005 . 1 . . . . . 97 L HD2 . 51783 1 839 . 1 . 1 97 97 LEU HD23 H 1 0.857 0.005 . 1 . . . . . 97 L HD2 . 51783 1 840 . 1 . 1 97 97 LEU C C 13 175.62 0 . 1 . . . . . 97 L C . 51783 1 841 . 1 . 1 97 97 LEU CA C 13 55.971 0.09 . 1 . . . . . 97 L CA . 51783 1 842 . 1 . 1 97 97 LEU CB C 13 41.415 0.083 . 1 . . . . . 97 L CB . 51783 1 843 . 1 . 1 97 97 LEU CG C 13 25.517 0 . 1 . . . . . 97 L CG . 51783 1 844 . 1 . 1 97 97 LEU CD1 C 13 22.451 0.023 . 1 . . . . . 97 L CD1 . 51783 1 845 . 1 . 1 97 97 LEU CD2 C 13 23.879 0.028 . 1 . . . . . 97 L CD2 . 51783 1 846 . 1 . 1 97 97 LEU N N 15 116.83 0.072 . 1 . . . . . 97 L N . 51783 1 847 . 1 . 1 98 98 PHE H H 1 6.74 0.004 . 1 . . . . . 98 F H . 51783 1 848 . 1 . 1 98 98 PHE HA H 1 4.66 0 . 1 . . . . . 98 F HA . 51783 1 849 . 1 . 1 98 98 PHE HB2 H 1 3.407 0 . 1 . . . . . 98 F HB . 51783 1 850 . 1 . 1 98 98 PHE HB3 H 1 3.407 0 . 1 . . . . . 98 F HB . 51783 1 851 . 1 . 1 98 98 PHE HD1 H 1 7.17 0 . 1 . . . . . 98 F HD . 51783 1 852 . 1 . 1 98 98 PHE HD2 H 1 7.17 0 . 1 . . . . . 98 F HD . 51783 1 853 . 1 . 1 98 98 PHE C C 13 176.093 0 . 1 . . . . . 98 F C . 51783 1 854 . 1 . 1 98 98 PHE CA C 13 54.829 0.097 . 1 . . . . . 98 F CA . 51783 1 855 . 1 . 1 98 98 PHE CB C 13 39.449 0.042 . 1 . . . . . 98 F CB . 51783 1 856 . 1 . 1 98 98 PHE N N 15 110.533 0.044 . 1 . . . . . 98 F N . 51783 1 857 . 1 . 1 99 99 ASP H H 1 7.645 0.007 . 1 . . . . . 99 D H . 51783 1 858 . 1 . 1 99 99 ASP HA H 1 4.696 0 . 1 . . . . . 99 D HA . 51783 1 859 . 1 . 1 99 99 ASP HB2 H 1 2.79 0 . 2 . . . . . 99 D HB2 . 51783 1 860 . 1 . 1 99 99 ASP HB3 H 1 2.649 0 . 2 . . . . . 99 D HB3 . 51783 1 861 . 1 . 1 99 99 ASP C C 13 175.897 0 . 1 . . . . . 99 D C . 51783 1 862 . 1 . 1 99 99 ASP CA C 13 52.8 0.083 . 1 . . . . . 99 D CA . 51783 1 863 . 1 . 1 99 99 ASP CB C 13 39.877 0.047 . 1 . . . . . 99 D CB . 51783 1 864 . 1 . 1 99 99 ASP N N 15 118.507 0.053 . 1 . . . . . 99 D N . 51783 1 865 . 1 . 1 100 100 MET H H 1 8.535 0.002 . 1 . . . . . 100 M H . 51783 1 866 . 1 . 1 100 100 MET HA H 1 4.429 0.005 . 1 . . . . . 100 M HA . 51783 1 867 . 1 . 1 100 100 MET HB2 H 1 2.121 0 . 2 . . . . . 100 M HB2 . 51783 1 868 . 1 . 1 100 100 MET HB3 H 1 2.082 0.01 . 2 . . . . . 100 M HB3 . 51783 1 869 . 1 . 1 100 100 MET HG2 H 1 2.627 0.002 . 1 . . . . . 100 M HG . 51783 1 870 . 1 . 1 100 100 MET HG3 H 1 2.627 0.002 . 1 . . . . . 100 M HG . 51783 1 871 . 1 . 1 100 100 MET C C 13 176.861 0 . 1 . . . . . 100 M C . 51783 1 872 . 1 . 1 100 100 MET CA C 13 55.645 0.099 . 1 . . . . . 100 M CA . 51783 1 873 . 1 . 1 100 100 MET CB C 13 31.578 0.086 . 1 . . . . . 100 M CB . 51783 1 874 . 1 . 1 100 100 MET CG C 13 30.86 0.019 . 1 . . . . . 100 M CG . 51783 1 875 . 1 . 1 100 100 MET N N 15 123.281 0.047 . 1 . . . . . 100 M N . 51783 1 876 . 1 . 1 101 101 ASP H H 1 8.291 0.001 . 1 . . . . . 101 D H . 51783 1 877 . 1 . 1 101 101 ASP HA H 1 4.612 0 . 1 . . . . . 101 D HA . 51783 1 878 . 1 . 1 101 101 ASP HB2 H 1 2.74 0.006 . 1 . . . . . 101 D HB . 51783 1 879 . 1 . 1 101 101 ASP HB3 H 1 2.74 0.006 . 1 . . . . . 101 D HB . 51783 1 880 . 1 . 1 101 101 ASP C C 13 177.389 0 . 1 . . . . . 101 D C . 51783 1 881 . 1 . 1 101 101 ASP CA C 13 53.403 0.059 . 1 . . . . . 101 D CA . 51783 1 882 . 1 . 1 101 101 ASP CB C 13 40.249 0.034 . 1 . . . . . 101 D CB . 51783 1 883 . 1 . 1 101 101 ASP N N 15 118.125 0.011 . 1 . . . . . 101 D N . 51783 1 884 . 1 . 1 102 102 GLY H H 1 8.112 0.004 . 1 . . . . . 102 G H . 51783 1 885 . 1 . 1 102 102 GLY HA2 H 1 3.96 0.003 . 1 . . . . . 102 G HA . 51783 1 886 . 1 . 1 102 102 GLY HA3 H 1 3.96 0.003 . 1 . . . . . 102 G HA . 51783 1 887 . 1 . 1 102 102 GLY C C 13 174.78 0 . 1 . . . . . 102 G C . 51783 1 888 . 1 . 1 102 102 GLY CA C 13 45.157 0.084 . 1 . . . . . 102 G CA . 51783 1 889 . 1 . 1 102 102 GLY N N 15 109.026 0.026 . 1 . . . . . 102 G N . 51783 1 890 . 1 . 1 103 103 SER H H 1 8.348 0.001 . 1 . . . . . 103 S H . 51783 1 891 . 1 . 1 103 103 SER HA H 1 4.459 0.002 . 1 . . . . . 103 S HA . 51783 1 892 . 1 . 1 103 103 SER HB2 H 1 3.96 0 . 2 . . . . . 103 S HB2 . 51783 1 893 . 1 . 1 103 103 SER HB3 H 1 3.869 0.005 . 2 . . . . . 103 S HB3 . 51783 1 894 . 1 . 1 103 103 SER C C 13 175.437 0 . 1 . . . . . 103 S C . 51783 1 895 . 1 . 1 103 103 SER CA C 13 57.471 0.069 . 1 . . . . . 103 S CA . 51783 1 896 . 1 . 1 103 103 SER CB C 13 62.903 0.033 . 1 . . . . . 103 S CB . 51783 1 897 . 1 . 1 103 103 SER N N 15 115.605 0.017 . 1 . . . . . 103 S N . 51783 1 898 . 1 . 1 104 104 GLY H H 1 8.901 0.002 . 1 . . . . . 104 G H . 51783 1 899 . 1 . 1 104 104 GLY HA2 H 1 4.1 0.005 . 2 . . . . . 104 G HA2 . 51783 1 900 . 1 . 1 104 104 GLY HA3 H 1 3.864 0.002 . 2 . . . . . 104 G HA3 . 51783 1 901 . 1 . 1 104 104 GLY C C 13 173.976 0 . 1 . . . . . 104 G C . 51783 1 902 . 1 . 1 104 104 GLY CA C 13 43.95 0.051 . 1 . . . . . 104 G CA . 51783 1 903 . 1 . 1 104 104 GLY N N 15 112.144 0.023 . 1 . . . . . 104 G N . 51783 1 904 . 1 . 1 105 105 CYS H H 1 8.215 0.004 . 1 . . . . . 105 C H . 51783 1 905 . 1 . 1 105 105 CYS HA H 1 4.757 0.005 . 1 . . . . . 105 C HA . 51783 1 906 . 1 . 1 105 105 CYS HB2 H 1 2.713 0.005 . 1 . . . . . 105 C HB . 51783 1 907 . 1 . 1 105 105 CYS HB3 H 1 2.713 0.005 . 1 . . . . . 105 C HB . 51783 1 908 . 1 . 1 105 105 CYS C C 13 173.535 0 . 1 . . . . . 105 C C . 51783 1 909 . 1 . 1 105 105 CYS CA C 13 56.718 0.127 . 1 . . . . . 105 C CA . 51783 1 910 . 1 . 1 105 105 CYS CB C 13 28.57 0.025 . 1 . . . . . 105 C CB . 51783 1 911 . 1 . 1 105 105 CYS N N 15 118.378 0.05 . 1 . . . . . 105 C N . 51783 1 912 . 1 . 1 106 106 ILE H H 1 9.171 0.005 . 1 . . . . . 106 I H . 51783 1 913 . 1 . 1 106 106 ILE HA H 1 4.608 0.005 . 1 . . . . . 106 I HA . 51783 1 914 . 1 . 1 106 106 ILE HB H 1 1.433 0.012 . 1 . . . . . 106 I HB . 51783 1 915 . 1 . 1 106 106 ILE HG12 H 1 0.806 0.004 . 1 . . . . . 106 I HG12 . 51783 1 916 . 1 . 1 106 106 ILE HG13 H 1 0.537 0.003 . 1 . . . . . 106 I HG13 . 51783 1 917 . 1 . 1 106 106 ILE HG21 H 1 0.167 0.006 . 1 . . . . . 106 I HG2 . 51783 1 918 . 1 . 1 106 106 ILE HG22 H 1 0.167 0.006 . 1 . . . . . 106 I HG2 . 51783 1 919 . 1 . 1 106 106 ILE HG23 H 1 0.167 0.006 . 1 . . . . . 106 I HG2 . 51783 1 920 . 1 . 1 106 106 ILE HD11 H 1 -0.153 0.006 . 1 . . . . . 106 I HD1 . 51783 1 921 . 1 . 1 106 106 ILE HD12 H 1 -0.153 0.006 . 1 . . . . . 106 I HD1 . 51783 1 922 . 1 . 1 106 106 ILE HD13 H 1 -0.153 0.006 . 1 . . . . . 106 I HD1 . 51783 1 923 . 1 . 1 106 106 ILE C C 13 174.523 0 . 1 . . . . . 106 I C . 51783 1 924 . 1 . 1 106 106 ILE CA C 13 57.534 0.081 . 1 . . . . . 106 I CA . 51783 1 925 . 1 . 1 106 106 ILE CB C 13 38.945 0.083 . 1 . . . . . 106 I CB . 51783 1 926 . 1 . 1 106 106 ILE CG1 C 13 25.517 0 . 1 . . . . . 106 I CG1 . 51783 1 927 . 1 . 1 106 106 ILE CG2 C 13 17.038 0.035 . 1 . . . . . 106 I CG2 . 51783 1 928 . 1 . 1 106 106 ILE CD1 C 13 11.56 0.035 . 1 . . . . . 106 I CD1 . 51783 1 929 . 1 . 1 106 106 ILE N N 15 121.044 0.043 . 1 . . . . . 106 I N . 51783 1 930 . 1 . 1 107 107 ASP H H 1 7.494 0.007 . 1 . . . . . 107 D H . 51783 1 931 . 1 . 1 107 107 ASP C C 13 177.671 0 . 1 . . . . . 107 D C . 51783 1 932 . 1 . 1 107 107 ASP CA C 13 50.542 0.102 . 1 . . . . . 107 D CA . 51783 1 933 . 1 . 1 107 107 ASP CB C 13 42.838 0.044 . 1 . . . . . 107 D CB . 51783 1 934 . 1 . 1 107 107 ASP N N 15 120.576 0.034 . 1 . . . . . 107 D N . 51783 1 935 . 1 . 1 108 108 LYS H H 1 7.829 0.003 . 1 . . . . . 108 K H . 51783 1 936 . 1 . 1 108 108 LYS C C 13 176.739 0 . 1 . . . . . 108 K C . 51783 1 937 . 1 . 1 108 108 LYS CA C 13 58.429 0.062 . 1 . . . . . 108 K CA . 51783 1 938 . 1 . 1 108 108 LYS CB C 13 30.714 0.143 . 1 . . . . . 108 K CB . 51783 1 939 . 1 . 1 108 108 LYS N N 15 118.609 0.084 . 1 . . . . . 108 K N . 51783 1 940 . 1 . 1 109 109 ASP H H 1 7.829 0.003 . 1 . . . . . 109 D H . 51783 1 941 . 1 . 1 109 109 ASP C C 13 175.968 0 . 1 . . . . . 109 D C . 51783 1 942 . 1 . 1 109 109 ASP CA C 13 56.728 0.079 . 1 . . . . . 109 D CA . 51783 1 943 . 1 . 1 109 109 ASP CB C 13 39.588 0.036 . 1 . . . . . 109 D CB . 51783 1 944 . 1 . 1 109 109 ASP N N 15 118.676 0.039 . 1 . . . . . 109 D N . 51783 1 945 . 1 . 1 110 110 GLU H H 1 8.115 0.003 . 1 . . . . . 110 E H . 51783 1 946 . 1 . 1 110 110 GLU HA H 1 4.407 0 . 1 . . . . . 110 E HA . 51783 1 947 . 1 . 1 110 110 GLU HB2 H 1 3.017 0 . 1 . . . . . 110 E HB2 . 51783 1 948 . 1 . 1 110 110 GLU HB3 H 1 3.017 0 . 1 . . . . . 110 E HB3 . 51783 1 949 . 1 . 1 110 110 GLU C C 13 177.37 0 . 1 . . . . . 110 E C . 51783 1 950 . 1 . 1 110 110 GLU CA C 13 57.777 0.048 . 1 . . . . . 110 E CA . 51783 1 951 . 1 . 1 110 110 GLU CB C 13 28.041 0.071 . 1 . . . . . 110 E CB . 51783 1 952 . 1 . 1 110 110 GLU N N 15 118.227 0.076 . 1 . . . . . 110 E N . 51783 1 953 . 1 . 1 111 111 LEU H H 1 7.046 0.006 . 1 . . . . . 111 L H . 51783 1 954 . 1 . 1 111 111 LEU HA H 1 3.679 0.007 . 1 . . . . . 111 L HA . 51783 1 955 . 1 . 1 111 111 LEU HB2 H 1 1.785 0.005 . 2 . . . . . 111 L HB2 . 51783 1 956 . 1 . 1 111 111 LEU HB3 H 1 1.426 0.005 . 2 . . . . . 111 L HB3 . 51783 1 957 . 1 . 1 111 111 LEU HG H 1 1.299 0.07 . 1 . . . . . 111 L HG . 51783 1 958 . 1 . 1 111 111 LEU HD11 H 1 1.183 0.004 . 1 . . . . . 111 L HD1 . 51783 1 959 . 1 . 1 111 111 LEU HD12 H 1 1.183 0.004 . 1 . . . . . 111 L HD1 . 51783 1 960 . 1 . 1 111 111 LEU HD13 H 1 1.183 0.004 . 1 . . . . . 111 L HD1 . 51783 1 961 . 1 . 1 111 111 LEU HD21 H 1 0.793 0.003 . 1 . . . . . 111 L HD2 . 51783 1 962 . 1 . 1 111 111 LEU HD22 H 1 0.793 0.003 . 1 . . . . . 111 L HD2 . 51783 1 963 . 1 . 1 111 111 LEU HD23 H 1 0.793 0.003 . 1 . . . . . 111 L HD2 . 51783 1 964 . 1 . 1 111 111 LEU C C 13 176.944 0 . 1 . . . . . 111 L C . 51783 1 965 . 1 . 1 111 111 LEU CA C 13 56.099 0.099 . 1 . . . . . 111 L CA . 51783 1 966 . 1 . 1 111 111 LEU CB C 13 40.985 0.095 . 1 . . . . . 111 L CB . 51783 1 967 . 1 . 1 111 111 LEU CD1 C 13 25.472 0.064 . 1 . . . . . 111 L CD1 . 51783 1 968 . 1 . 1 111 111 LEU CD2 C 13 22.826 0.052 . 1 . . . . . 111 L CD2 . 51783 1 969 . 1 . 1 111 111 LEU N N 15 116.548 0.031 . 1 . . . . . 111 L N . 51783 1 970 . 1 . 1 112 112 LEU H H 1 8.504 0.003 . 1 . . . . . 112 L H . 51783 1 971 . 1 . 1 112 112 LEU HA H 1 3.884 0.006 . 1 . . . . . 112 L HA . 51783 1 972 . 1 . 1 112 112 LEU HB2 H 1 1.941 0.005 . 2 . . . . . 112 L HB2 . 51783 1 973 . 1 . 1 112 112 LEU HB3 H 1 1.569 0.011 . 2 . . . . . 112 L HB3 . 51783 1 974 . 1 . 1 112 112 LEU HD11 H 1 1.009 0.004 . 1 . . . . . 112 L HD1 . 51783 1 975 . 1 . 1 112 112 LEU HD12 H 1 1.009 0.004 . 1 . . . . . 112 L HD1 . 51783 1 976 . 1 . 1 112 112 LEU HD13 H 1 1.009 0.004 . 1 . . . . . 112 L HD1 . 51783 1 977 . 1 . 1 112 112 LEU HD21 H 1 0.981 0.004 . 1 . . . . . 112 L HD2 . 51783 1 978 . 1 . 1 112 112 LEU HD22 H 1 0.981 0.004 . 1 . . . . . 112 L HD2 . 51783 1 979 . 1 . 1 112 112 LEU HD23 H 1 0.981 0.004 . 1 . . . . . 112 L HD2 . 51783 1 980 . 1 . 1 112 112 LEU C C 13 178.242 0 . 1 . . . . . 112 L C . 51783 1 981 . 1 . 1 112 112 LEU CA C 13 57.433 0.109 . 1 . . . . . 112 L CA . 51783 1 982 . 1 . 1 112 112 LEU CB C 13 40.905 0.058 . 1 . . . . . 112 L CB . 51783 1 983 . 1 . 1 112 112 LEU CD1 C 13 24.503 0.06 . 1 . . . . . 112 L CD1 . 51783 1 984 . 1 . 1 112 112 LEU CD2 C 13 23.973 0.031 . 1 . . . . . 112 L CD2 . 51783 1 985 . 1 . 1 112 112 LEU N N 15 118.14 0.039 . 1 . . . . . 112 L N . 51783 1 986 . 1 . 1 113 113 LEU H H 1 7.718 0.006 . 1 . . . . . 113 L H . 51783 1 987 . 1 . 1 113 113 LEU HA H 1 3.893 0.012 . 1 . . . . . 113 L HA . 51783 1 988 . 1 . 1 113 113 LEU HB2 H 1 2.197 0.005 . 2 . . . . . 113 L HB2 . 51783 1 989 . 1 . 1 113 113 LEU HB3 H 1 1.437 0.005 . 2 . . . . . 113 L HB3 . 51783 1 990 . 1 . 1 113 113 LEU HD11 H 1 0.941 0.006 . 1 . . . . . 113 L HD1 . 51783 1 991 . 1 . 1 113 113 LEU HD12 H 1 0.941 0.006 . 1 . . . . . 113 L HD1 . 51783 1 992 . 1 . 1 113 113 LEU HD13 H 1 0.941 0.006 . 1 . . . . . 113 L HD1 . 51783 1 993 . 1 . 1 113 113 LEU HD21 H 1 1.153 0.006 . 1 . . . . . 113 L HD2 . 51783 1 994 . 1 . 1 113 113 LEU HD22 H 1 1.153 0.006 . 1 . . . . . 113 L HD2 . 51783 1 995 . 1 . 1 113 113 LEU HD23 H 1 1.153 0.006 . 1 . . . . . 113 L HD2 . 51783 1 996 . 1 . 1 113 113 LEU C C 13 178.642 0 . 1 . . . . . 113 L C . 51783 1 997 . 1 . 1 113 113 LEU CA C 13 57.311 0.078 . 1 . . . . . 113 L CA . 51783 1 998 . 1 . 1 113 113 LEU CB C 13 41.097 0.075 . 1 . . . . . 113 L CB . 51783 1 999 . 1 . 1 113 113 LEU CD1 C 13 23.531 0.042 . 1 . . . . . 113 L CD1 . 51783 1 1000 . 1 . 1 113 113 LEU CD2 C 13 26.926 0.083 . 1 . . . . . 113 L CD2 . 51783 1 1001 . 1 . 1 113 113 LEU N N 15 118.431 0.052 . 1 . . . . . 113 L N . 51783 1 1002 . 1 . 1 114 114 ILE H H 1 7.572 0.004 . 1 . . . . . 114 I H . 51783 1 1003 . 1 . 1 114 114 ILE HA H 1 3.407 0.008 . 1 . . . . . 114 I HA . 51783 1 1004 . 1 . 1 114 114 ILE HB H 1 1.687 0.002 . 1 . . . . . 114 I HB . 51783 1 1005 . 1 . 1 114 114 ILE HG12 H 1 1.903 0.011 . 1 . . . . . 114 I HG12 . 51783 1 1006 . 1 . 1 114 114 ILE HG13 H 1 0.862 0.005 . 1 . . . . . 114 I HG13 . 51783 1 1007 . 1 . 1 114 114 ILE HG21 H 1 0.186 0.005 . 1 . . . . . 114 I HG2 . 51783 1 1008 . 1 . 1 114 114 ILE HG22 H 1 0.186 0.005 . 1 . . . . . 114 I HG2 . 51783 1 1009 . 1 . 1 114 114 ILE HG23 H 1 0.186 0.005 . 1 . . . . . 114 I HG2 . 51783 1 1010 . 1 . 1 114 114 ILE HD11 H 1 0.352 0.003 . 1 . . . . . 114 I HD1 . 51783 1 1011 . 1 . 1 114 114 ILE HD12 H 1 0.352 0.003 . 1 . . . . . 114 I HD1 . 51783 1 1012 . 1 . 1 114 114 ILE HD13 H 1 0.352 0.003 . 1 . . . . . 114 I HD1 . 51783 1 1013 . 1 . 1 114 114 ILE C C 13 177.152 0 . 1 . . . . . 114 I C . 51783 1 1014 . 1 . 1 114 114 ILE CA C 13 64.913 0.079 . 1 . . . . . 114 I CA . 51783 1 1015 . 1 . 1 114 114 ILE CB C 13 36.097 0.036 . 1 . . . . . 114 I CB . 51783 1 1016 . 1 . 1 114 114 ILE CG1 C 13 28.137 0.017 . 1 . . . . . 114 I CG1 . 51783 1 1017 . 1 . 1 114 114 ILE CG2 C 13 14.686 0.072 . 1 . . . . . 114 I CG2 . 51783 1 1018 . 1 . 1 114 114 ILE CD1 C 13 12.924 0.04 . 1 . . . . . 114 I CD1 . 51783 1 1019 . 1 . 1 114 114 ILE N N 15 117.722 0.041 . 1 . . . . . 114 I N . 51783 1 1020 . 1 . 1 115 115 PHE H H 1 8.128 0.019 . 1 . . . . . 115 F H . 51783 1 1021 . 1 . 1 115 115 PHE HA H 1 4.541 0 . 1 . . . . . 115 F HA . 51783 1 1022 . 1 . 1 115 115 PHE C C 13 179.015 0 . 1 . . . . . 115 F C . 51783 1 1023 . 1 . 1 115 115 PHE CA C 13 57.324 0.132 . 1 . . . . . 115 F CA . 51783 1 1024 . 1 . 1 115 115 PHE CB C 13 36.472 0.061 . 1 . . . . . 115 F CB . 51783 1 1025 . 1 . 1 115 115 PHE N N 15 115.693 0.105 . 1 . . . . . 115 F N . 51783 1 1026 . 1 . 1 116 116 LYS H H 1 9.023 0.003 . 1 . . . . . 116 K H . 51783 1 1027 . 1 . 1 116 116 LYS HA H 1 3.947 0 . 1 . . . . . 116 K HA . 51783 1 1028 . 1 . 1 116 116 LYS C C 13 178.698 0 . 1 . . . . . 116 K C . 51783 1 1029 . 1 . 1 116 116 LYS CA C 13 59.228 0.05 . 1 . . . . . 116 K CA . 51783 1 1030 . 1 . 1 116 116 LYS CB C 13 31.665 0.056 . 1 . . . . . 116 K CB . 51783 1 1031 . 1 . 1 116 116 LYS N N 15 120.505 0.047 . 1 . . . . . 116 K N . 51783 1 1032 . 1 . 1 117 117 ALA H H 1 8.36 0.005 . 1 . . . . . 117 A H . 51783 1 1033 . 1 . 1 117 117 ALA HB1 H 1 1.397 0.007 . 1 . . . . . 117 A HB . 51783 1 1034 . 1 . 1 117 117 ALA HB2 H 1 1.397 0.007 . 1 . . . . . 117 A HB . 51783 1 1035 . 1 . 1 117 117 ALA HB3 H 1 1.397 0.007 . 1 . . . . . 117 A HB . 51783 1 1036 . 1 . 1 117 117 ALA C C 13 179.711 0 . 1 . . . . . 117 A C . 51783 1 1037 . 1 . 1 117 117 ALA CA C 13 53.911 0.11 . 1 . . . . . 117 A CA . 51783 1 1038 . 1 . 1 117 117 ALA CB C 13 16.583 0.098 . 1 . . . . . 117 A CB . 51783 1 1039 . 1 . 1 117 117 ALA N N 15 122.694 0.05 . 1 . . . . . 117 A N . 51783 1 1040 . 1 . 1 118 118 VAL H H 1 8.641 0.003 . 1 . . . . . 118 V H . 51783 1 1041 . 1 . 1 118 118 VAL HA H 1 3.828 0.001 . 1 . . . . . 118 V HA . 51783 1 1042 . 1 . 1 118 118 VAL HB H 1 2.167 0.012 . 1 . . . . . 118 V HB . 51783 1 1043 . 1 . 1 118 118 VAL HG11 H 1 1.119 0.005 . 1 . . . . . 118 V HG1 . 51783 1 1044 . 1 . 1 118 118 VAL HG12 H 1 1.119 0.005 . 1 . . . . . 118 V HG1 . 51783 1 1045 . 1 . 1 118 118 VAL HG13 H 1 1.119 0.005 . 1 . . . . . 118 V HG1 . 51783 1 1046 . 1 . 1 118 118 VAL HG21 H 1 1.064 0.006 . 1 . . . . . 118 V HG2 . 51783 1 1047 . 1 . 1 118 118 VAL HG22 H 1 1.064 0.006 . 1 . . . . . 118 V HG2 . 51783 1 1048 . 1 . 1 118 118 VAL HG23 H 1 1.064 0.006 . 1 . . . . . 118 V HG2 . 51783 1 1049 . 1 . 1 118 118 VAL C C 13 179.08 0 . 1 . . . . . 118 V C . 51783 1 1050 . 1 . 1 118 118 VAL CA C 13 65.381 0.075 . 1 . . . . . 118 V CA . 51783 1 1051 . 1 . 1 118 118 VAL CB C 13 30.592 0.085 . 1 . . . . . 118 V CB . 51783 1 1052 . 1 . 1 118 118 VAL CG1 C 13 22.049 0.099 . 1 . . . . . 118 V CG1 . 51783 1 1053 . 1 . 1 118 118 VAL CG2 C 13 20.993 0.125 . 1 . . . . . 118 V CG2 . 51783 1 1054 . 1 . 1 118 118 VAL N N 15 115.28 0.066 . 1 . . . . . 118 V N . 51783 1 1055 . 1 . 1 119 119 GLN H H 1 8.186 0.006 . 1 . . . . . 119 Q H . 51783 1 1056 . 1 . 1 119 119 GLN HA H 1 4.152 0 . 1 . . . . . 119 Q HA . 51783 1 1057 . 1 . 1 119 119 GLN HB2 H 1 2.342 0 . 2 . . . . . 119 Q HB2 . 51783 1 1058 . 1 . 1 119 119 GLN HB3 H 1 2.04 0 . 2 . . . . . 119 Q HB3 . 51783 1 1059 . 1 . 1 119 119 GLN C C 13 178.92 0 . 1 . . . . . 119 Q C . 51783 1 1060 . 1 . 1 119 119 GLN CA C 13 57.462 0.145 . 1 . . . . . 119 Q CA . 51783 1 1061 . 1 . 1 119 119 GLN CB C 13 26.468 0.09 . 1 . . . . . 119 Q CB . 51783 1 1062 . 1 . 1 119 119 GLN N N 15 118.706 0.054 . 1 . . . . . 119 Q N . 51783 1 1063 . 1 . 1 120 120 ALA H H 1 7.949 0.004 . 1 . . . . . 120 A H . 51783 1 1064 . 1 . 1 120 120 ALA HA H 1 4.194 0.017 . 1 . . . . . 120 A HA . 51783 1 1065 . 1 . 1 120 120 ALA HB1 H 1 1.6 0.005 . 1 . . . . . 120 A HB . 51783 1 1066 . 1 . 1 120 120 ALA HB2 H 1 1.6 0.005 . 1 . . . . . 120 A HB . 51783 1 1067 . 1 . 1 120 120 ALA HB3 H 1 1.6 0.005 . 1 . . . . . 120 A HB . 51783 1 1068 . 1 . 1 120 120 ALA C C 13 180.149 0 . 1 . . . . . 120 A C . 51783 1 1069 . 1 . 1 120 120 ALA CA C 13 53.352 0.056 . 1 . . . . . 120 A CA . 51783 1 1070 . 1 . 1 120 120 ALA CB C 13 17.454 0.057 . 1 . . . . . 120 A CB . 51783 1 1071 . 1 . 1 120 120 ALA N N 15 121.062 0.038 . 1 . . . . . 120 A N . 51783 1 1072 . 1 . 1 121 121 ILE H H 1 7.709 0.007 . 1 . . . . . 121 I H . 51783 1 1073 . 1 . 1 121 121 ILE HA H 1 4.241 0.003 . 1 . . . . . 121 I HA . 51783 1 1074 . 1 . 1 121 121 ILE HB H 1 2.386 0.019 . 1 . . . . . 121 I HB . 51783 1 1075 . 1 . 1 121 121 ILE HG12 H 1 1.852 0.003 . 1 . . . . . 121 I HG12 . 51783 1 1076 . 1 . 1 121 121 ILE HG13 H 1 1.774 0.001 . 1 . . . . . 121 I HG13 . 51783 1 1077 . 1 . 1 121 121 ILE HG21 H 1 1.145 0.009 . 1 . . . . . 121 I HG2 . 51783 1 1078 . 1 . 1 121 121 ILE HG22 H 1 1.145 0.009 . 1 . . . . . 121 I HG2 . 51783 1 1079 . 1 . 1 121 121 ILE HG23 H 1 1.145 0.009 . 1 . . . . . 121 I HG2 . 51783 1 1080 . 1 . 1 121 121 ILE HD11 H 1 1.197 0.003 . 1 . . . . . 121 I HD1 . 51783 1 1081 . 1 . 1 121 121 ILE HD12 H 1 1.197 0.003 . 1 . . . . . 121 I HD1 . 51783 1 1082 . 1 . 1 121 121 ILE HD13 H 1 1.197 0.003 . 1 . . . . . 121 I HD1 . 51783 1 1083 . 1 . 1 121 121 ILE C C 13 175.968 0 . 1 . . . . . 121 I C . 51783 1 1084 . 1 . 1 121 121 ILE CA C 13 61.082 0.093 . 1 . . . . . 121 I CA . 51783 1 1085 . 1 . 1 121 121 ILE CB C 13 38.06 0.063 . 1 . . . . . 121 I CB . 51783 1 1086 . 1 . 1 121 121 ILE CG2 C 13 17.838 0.041 . 1 . . . . . 121 I CG2 . 51783 1 1087 . 1 . 1 121 121 ILE CD1 C 13 13.8 0.017 . 1 . . . . . 121 I CD1 . 51783 1 1088 . 1 . 1 121 121 ILE N N 15 111.129 0.044 . 1 . . . . . 121 I N . 51783 1 1089 . 1 . 1 122 122 ASN H H 1 8.113 0.006 . 1 . . . . . 122 N H . 51783 1 1090 . 1 . 1 122 122 ASN HA H 1 4.718 0.005 . 1 . . . . . 122 N HA . 51783 1 1091 . 1 . 1 122 122 ASN HB2 H 1 3.083 0.008 . 2 . . . . . 122 N HB2 . 51783 1 1092 . 1 . 1 122 122 ASN HB3 H 1 2.886 0.003 . 2 . . . . . 122 N HB3 . 51783 1 1093 . 1 . 1 122 122 ASN C C 13 177.193 0 . 1 . . . . . 122 N C . 51783 1 1094 . 1 . 1 122 122 ASN CA C 13 53.04 0.122 . 1 . . . . . 122 N CA . 51783 1 1095 . 1 . 1 122 122 ASN CB C 13 37.914 0.054 . 1 . . . . . 122 N CB . 51783 1 1096 . 1 . 1 122 122 ASN N N 15 118.23 0.12 . 1 . . . . . 122 N N . 51783 1 1097 . 1 . 1 123 123 GLY H H 1 8.279 0.004 . 1 . . . . . 123 G H . 51783 1 1098 . 1 . 1 123 123 GLY HA2 H 1 3.994 0.002 . 2 . . . . . 123 G HA2 . 51783 1 1099 . 1 . 1 123 123 GLY HA3 H 1 3.752 0.009 . 2 . . . . . 123 G HA3 . 51783 1 1100 . 1 . 1 123 123 GLY C C 13 173.483 0 . 1 . . . . . 123 G C . 51783 1 1101 . 1 . 1 123 123 GLY CA C 13 44.965 0.074 . 1 . . . . . 123 G CA . 51783 1 1102 . 1 . 1 123 123 GLY N N 15 107.858 0.074 . 1 . . . . . 123 G N . 51783 1 1103 . 1 . 1 124 124 ALA H H 1 7.878 0.001 . 1 . . . . . 124 A H . 51783 1 1104 . 1 . 1 124 124 ALA HA H 1 4.419 0.003 . 1 . . . . . 124 A HA . 51783 1 1105 . 1 . 1 124 124 ALA HB1 H 1 1.322 0.005 . 1 . . . . . 124 A HB . 51783 1 1106 . 1 . 1 124 124 ALA HB2 H 1 1.322 0.005 . 1 . . . . . 124 A HB . 51783 1 1107 . 1 . 1 124 124 ALA HB3 H 1 1.322 0.005 . 1 . . . . . 124 A HB . 51783 1 1108 . 1 . 1 124 124 ALA C C 13 177.276 0 . 1 . . . . . 124 A C . 51783 1 1109 . 1 . 1 124 124 ALA CA C 13 49.96 0.076 . 1 . . . . . 124 A CA . 51783 1 1110 . 1 . 1 124 124 ALA CB C 13 19.086 0.072 . 1 . . . . . 124 A CB . 51783 1 1111 . 1 . 1 124 124 ALA N N 15 122.579 0.008 . 1 . . . . . 124 A N . 51783 1 1112 . 1 . 1 125 125 GLU H H 1 8.59 0.001 . 1 . . . . . 125 E H . 51783 1 1113 . 1 . 1 125 125 GLU CA C 13 53.028 0.041 . 1 . . . . . 125 E CA . 51783 1 1114 . 1 . 1 125 125 GLU CB C 13 28.119 0.018 . 1 . . . . . 125 E CB . 51783 1 1115 . 1 . 1 125 125 GLU N N 15 123.218 0.025 . 1 . . . . . 125 E N . 51783 1 1116 . 1 . 1 126 126 PRO C C 13 177.097 0 . 1 . . . . . 126 P C . 51783 1 1117 . 1 . 1 126 126 PRO CA C 13 61.595 0.11 . 1 . . . . . 126 P CA . 51783 1 1118 . 1 . 1 126 126 PRO CB C 13 30.953 0.039 . 1 . . . . . 126 P CB . 51783 1 1119 . 1 . 1 127 127 GLU H H 1 8.722 0.001 . 1 . . . . . 127 E H . 51783 1 1120 . 1 . 1 127 127 GLU C C 13 175.987 0 . 1 . . . . . 127 E C . 51783 1 1121 . 1 . 1 127 127 GLU CA C 13 56.904 0.066 . 1 . . . . . 127 E CA . 51783 1 1122 . 1 . 1 127 127 GLU CB C 13 29.116 0.04 . 1 . . . . . 127 E CB . 51783 1 1123 . 1 . 1 127 127 GLU CG C 13 35.277 0 . 1 . . . . . 127 E CG . 51783 1 1124 . 1 . 1 127 127 GLU N N 15 122.103 0.038 . 1 . . . . . 127 E N . 51783 1 1125 . 1 . 1 128 128 ILE H H 1 7.486 0.002 . 1 . . . . . 128 I H . 51783 1 1126 . 1 . 1 128 128 ILE HA H 1 4.38 0.005 . 1 . . . . . 128 I HA . 51783 1 1127 . 1 . 1 128 128 ILE HB H 1 1.674 0.005 . 1 . . . . . 128 I HB . 51783 1 1128 . 1 . 1 128 128 ILE HG12 H 1 1.528 0.006 . 1 . . . . . 128 I HG12 . 51783 1 1129 . 1 . 1 128 128 ILE HG13 H 1 1.157 0.002 . 1 . . . . . 128 I HG13 . 51783 1 1130 . 1 . 1 128 128 ILE HG21 H 1 0.917 0.006 . 1 . . . . . 128 I HG2 . 51783 1 1131 . 1 . 1 128 128 ILE HG22 H 1 0.917 0.006 . 1 . . . . . 128 I HG2 . 51783 1 1132 . 1 . 1 128 128 ILE HG23 H 1 0.917 0.006 . 1 . . . . . 128 I HG2 . 51783 1 1133 . 1 . 1 128 128 ILE HD11 H 1 0.785 0.004 . 1 . . . . . 128 I HD1 . 51783 1 1134 . 1 . 1 128 128 ILE HD12 H 1 0.785 0.004 . 1 . . . . . 128 I HD1 . 51783 1 1135 . 1 . 1 128 128 ILE HD13 H 1 0.785 0.004 . 1 . . . . . 128 I HD1 . 51783 1 1136 . 1 . 1 128 128 ILE C C 13 174.552 0 . 1 . . . . . 128 I C . 51783 1 1137 . 1 . 1 128 128 ILE CA C 13 58.271 0.096 . 1 . . . . . 128 I CA . 51783 1 1138 . 1 . 1 128 128 ILE CB C 13 39.008 0.076 . 1 . . . . . 128 I CB . 51783 1 1139 . 1 . 1 128 128 ILE CG1 C 13 26.43 0.05 . 1 . . . . . 128 I CG1 . 51783 1 1140 . 1 . 1 128 128 ILE CG2 C 13 15.982 0.074 . 1 . . . . . 128 I CG2 . 51783 1 1141 . 1 . 1 128 128 ILE CD1 C 13 12.173 0.065 . 1 . . . . . 128 I CD1 . 51783 1 1142 . 1 . 1 128 128 ILE N N 15 117.589 0.016 . 1 . . . . . 128 I N . 51783 1 1143 . 1 . 1 129 129 SER H H 1 9.144 0.007 . 1 . . . . . 129 S H . 51783 1 1144 . 1 . 1 129 129 SER HA H 1 4.357 0 . 1 . . . . . 129 S HA . 51783 1 1145 . 1 . 1 129 129 SER HB2 H 1 4.096 0 . 1 . . . . . 129 S HB . 51783 1 1146 . 1 . 1 129 129 SER HB3 H 1 4.096 0 . 1 . . . . . 129 S HB . 51783 1 1147 . 1 . 1 129 129 SER C C 13 174.338 0 . 1 . . . . . 129 S C . 51783 1 1148 . 1 . 1 129 129 SER CA C 13 56.71 0.116 . 1 . . . . . 129 S CA . 51783 1 1149 . 1 . 1 129 129 SER CB C 13 63.695 0.066 . 1 . . . . . 129 S CB . 51783 1 1150 . 1 . 1 129 129 SER N N 15 122.844 0.069 . 1 . . . . . 129 S N . 51783 1 1151 . 1 . 1 130 130 ALA H H 1 8.684 0.007 . 1 . . . . . 130 A H . 51783 1 1152 . 1 . 1 130 130 ALA HA H 1 3.88 0.009 . 1 . . . . . 130 A HA . 51783 1 1153 . 1 . 1 130 130 ALA HB1 H 1 1.444 0.026 . 1 . . . . . 130 A HB . 51783 1 1154 . 1 . 1 130 130 ALA HB2 H 1 1.444 0.026 . 1 . . . . . 130 A HB . 51783 1 1155 . 1 . 1 130 130 ALA HB3 H 1 1.444 0.026 . 1 . . . . . 130 A HB . 51783 1 1156 . 1 . 1 130 130 ALA C C 13 178.537 0 . 1 . . . . . 130 A C . 51783 1 1157 . 1 . 1 130 130 ALA CA C 13 54.493 0.07 . 1 . . . . . 130 A CA . 51783 1 1158 . 1 . 1 130 130 ALA CB C 13 17.864 0.055 . 1 . . . . . 130 A CB . 51783 1 1159 . 1 . 1 130 130 ALA N N 15 124.125 0.039 . 1 . . . . . 130 A N . 51783 1 1160 . 1 . 1 131 131 GLU H H 1 9.307 0.003 . 1 . . . . . 131 E H . 51783 1 1161 . 1 . 1 131 131 GLU C C 13 178.79 0 . 1 . . . . . 131 E C . 51783 1 1162 . 1 . 1 131 131 GLU CA C 13 60.009 0.11 . 1 . . . . . 131 E CA . 51783 1 1163 . 1 . 1 131 131 GLU CB C 13 27.365 0.056 . 1 . . . . . 131 E CB . 51783 1 1164 . 1 . 1 131 131 GLU N N 15 116.541 0.022 . 1 . . . . . 131 E N . 51783 1 1165 . 1 . 1 132 132 ASP H H 1 7.883 0.006 . 1 . . . . . 132 D H . 51783 1 1166 . 1 . 1 132 132 ASP C C 13 179.379 0 . 1 . . . . . 132 D C . 51783 1 1167 . 1 . 1 132 132 ASP CA C 13 56.007 0.08 . 1 . . . . . 132 D CA . 51783 1 1168 . 1 . 1 132 132 ASP CB C 13 38.449 0.091 . 1 . . . . . 132 D CB . 51783 1 1169 . 1 . 1 132 132 ASP N N 15 120.665 0.05 . 1 . . . . . 132 D N . 51783 1 1170 . 1 . 1 133 133 LEU H H 1 8.736 0.003 . 1 . . . . . 133 L H . 51783 1 1171 . 1 . 1 133 133 LEU HA H 1 4.03 0.002 . 1 . . . . . 133 L HA . 51783 1 1172 . 1 . 1 133 133 LEU HB2 H 1 1.284 0.005 . 1 . . . . . 133 L HB . 51783 1 1173 . 1 . 1 133 133 LEU HB3 H 1 1.284 0.005 . 1 . . . . . 133 L HB . 51783 1 1174 . 1 . 1 133 133 LEU HG H 1 1.212 0.002 . 1 . . . . . 133 L HG . 51783 1 1175 . 1 . 1 133 133 LEU HD11 H 1 0.148 0.003 . 1 . . . . . 133 L HD1 . 51783 1 1176 . 1 . 1 133 133 LEU HD12 H 1 0.148 0.003 . 1 . . . . . 133 L HD1 . 51783 1 1177 . 1 . 1 133 133 LEU HD13 H 1 0.148 0.003 . 1 . . . . . 133 L HD1 . 51783 1 1178 . 1 . 1 133 133 LEU HD21 H 1 0.604 0.004 . 1 . . . . . 133 L HD2 . 51783 1 1179 . 1 . 1 133 133 LEU HD22 H 1 0.604 0.004 . 1 . . . . . 133 L HD2 . 51783 1 1180 . 1 . 1 133 133 LEU HD23 H 1 0.604 0.004 . 1 . . . . . 133 L HD2 . 51783 1 1181 . 1 . 1 133 133 LEU C C 13 178.36 0 . 1 . . . . . 133 L C . 51783 1 1182 . 1 . 1 133 133 LEU CA C 13 56.703 0.06 . 1 . . . . . 133 L CA . 51783 1 1183 . 1 . 1 133 133 LEU CB C 13 40.23 0.079 . 1 . . . . . 133 L CB . 51783 1 1184 . 1 . 1 133 133 LEU CD1 C 13 22.689 0.041 . 1 . . . . . 133 L CD1 . 51783 1 1185 . 1 . 1 133 133 LEU CD2 C 13 22.717 0.057 . 1 . . . . . 133 L CD2 . 51783 1 1186 . 1 . 1 133 133 LEU N N 15 123.996 0.077 . 1 . . . . . 133 L N . 51783 1 1187 . 1 . 1 134 134 ALA H H 1 8.707 0.002 . 1 . . . . . 134 A H . 51783 1 1188 . 1 . 1 134 134 ALA HA H 1 4.237 0.002 . 1 . . . . . 134 A HA . 51783 1 1189 . 1 . 1 134 134 ALA HB1 H 1 1.564 0.004 . 1 . . . . . 134 A HB . 51783 1 1190 . 1 . 1 134 134 ALA HB2 H 1 1.564 0.004 . 1 . . . . . 134 A HB . 51783 1 1191 . 1 . 1 134 134 ALA HB3 H 1 1.564 0.004 . 1 . . . . . 134 A HB . 51783 1 1192 . 1 . 1 134 134 ALA CA C 13 54.936 0.056 . 1 . . . . . 134 A CA . 51783 1 1193 . 1 . 1 134 134 ALA CB C 13 16.389 0.05 . 1 . . . . . 134 A CB . 51783 1 1194 . 1 . 1 134 134 ALA N N 15 120.576 0.023 . 1 . . . . . 134 A N . 51783 1 1195 . 1 . 1 135 135 ASP H H 1 7.882 0.001 . 1 . . . . . 135 D H . 51783 1 1196 . 1 . 1 135 135 ASP CA C 13 56.874 0.057 . 1 . . . . . 135 D CA . 51783 1 1197 . 1 . 1 135 135 ASP CB C 13 39.366 0.052 . 1 . . . . . 135 D CB . 51783 1 1198 . 1 . 1 135 135 ASP N N 15 117.108 0.021 . 1 . . . . . 135 D N . 51783 1 1199 . 1 . 1 136 136 ILE CA C 13 58.003 0 . 1 . . . . . 136 I CA . 51783 1 1200 . 1 . 1 137 137 VAL H H 1 8.339 0.002 . 1 . . . . . 137 V H . 51783 1 1201 . 1 . 1 137 137 VAL HA H 1 3.609 0.002 . 1 . . . . . 137 V HA . 51783 1 1202 . 1 . 1 137 137 VAL HB H 1 2.355 0.005 . 1 . . . . . 137 V HB . 51783 1 1203 . 1 . 1 137 137 VAL C C 13 176.992 0 . 1 . . . . . 137 V C . 51783 1 1204 . 1 . 1 137 137 VAL CA C 13 65.188 0.034 . 1 . . . . . 137 V CA . 51783 1 1205 . 1 . 1 137 137 VAL CB C 13 31.127 0.075 . 1 . . . . . 137 V CB . 51783 1 1206 . 1 . 1 137 137 VAL N N 15 116.548 0.061 . 1 . . . . . 137 V N . 51783 1 1207 . 1 . 1 138 138 PHE H H 1 8.544 0.005 . 1 . . . . . 138 F H . 51783 1 1208 . 1 . 1 138 138 PHE HA H 1 3.845 0.003 . 1 . . . . . 138 F HA . 51783 1 1209 . 1 . 1 138 138 PHE HB2 H 1 3.239 0.007 . 1 . . . . . 138 F HB . 51783 1 1210 . 1 . 1 138 138 PHE HB3 H 1 3.239 0.007 . 1 . . . . . 138 F HB . 51783 1 1211 . 1 . 1 138 138 PHE HD1 H 1 7.259 0 . 1 . . . . . 138 F HD . 51783 1 1212 . 1 . 1 138 138 PHE HD2 H 1 7.259 0 . 1 . . . . . 138 F HD . 51783 1 1213 . 1 . 1 138 138 PHE HE1 H 1 7.257 0 . 1 . . . . . 138 F HE . 51783 1 1214 . 1 . 1 138 138 PHE HE2 H 1 7.257 0 . 1 . . . . . 138 F HE . 51783 1 1215 . 1 . 1 138 138 PHE C C 13 177.828 0 . 1 . . . . . 138 F C . 51783 1 1216 . 1 . 1 138 138 PHE CA C 13 62.352 0.097 . 1 . . . . . 138 F CA . 51783 1 1217 . 1 . 1 138 138 PHE CB C 13 38.361 0.117 . 1 . . . . . 138 F CB . 51783 1 1218 . 1 . 1 138 138 PHE N N 15 118.257 0.047 . 1 . . . . . 138 F N . 51783 1 1219 . 1 . 1 139 139 ASN H H 1 8.611 0.004 . 1 . . . . . 139 N H . 51783 1 1220 . 1 . 1 139 139 ASN HA H 1 4.513 0.008 . 1 . . . . . 139 N HA . 51783 1 1221 . 1 . 1 139 139 ASN HB2 H 1 3.058 0.012 . 2 . . . . . 139 N HB2 . 51783 1 1222 . 1 . 1 139 139 ASN HB3 H 1 2.781 0.01 . 2 . . . . . 139 N HB3 . 51783 1 1223 . 1 . 1 139 139 ASN C C 13 176.953 0 . 1 . . . . . 139 N C . 51783 1 1224 . 1 . 1 139 139 ASN CA C 13 54.39 0.062 . 1 . . . . . 139 N CA . 51783 1 1225 . 1 . 1 139 139 ASN CB C 13 36.591 0.04 . 1 . . . . . 139 N CB . 51783 1 1226 . 1 . 1 139 139 ASN N N 15 114.623 0.05 . 1 . . . . . 139 N N . 51783 1 1227 . 1 . 1 140 140 LYS H H 1 7.183 0.004 . 1 . . . . . 140 K H . 51783 1 1228 . 1 . 1 140 140 LYS HA H 1 4.145 0 . 1 . . . . . 140 K HA . 51783 1 1229 . 1 . 1 140 140 LYS HB2 H 1 1.873 0 . 1 . . . . . 140 K HB . 51783 1 1230 . 1 . 1 140 140 LYS HB3 H 1 1.873 0 . 1 . . . . . 140 K HB . 51783 1 1231 . 1 . 1 140 140 LYS C C 13 177.157 0 . 1 . . . . . 140 K C . 51783 1 1232 . 1 . 1 140 140 LYS CA C 13 56.221 0.089 . 1 . . . . . 140 K CA . 51783 1 1233 . 1 . 1 140 140 LYS CB C 13 31.343 0.077 . 1 . . . . . 140 K CB . 51783 1 1234 . 1 . 1 140 140 LYS N N 15 116.608 0.026 . 1 . . . . . 140 K N . 51783 1 1235 . 1 . 1 141 141 ILE H H 1 7.272 0.003 . 1 . . . . . 141 I H . 51783 1 1236 . 1 . 1 141 141 ILE HA H 1 4.034 0.006 . 1 . . . . . 141 I HA . 51783 1 1237 . 1 . 1 141 141 ILE HB H 1 1.575 0.023 . 1 . . . . . 141 I HB . 51783 1 1238 . 1 . 1 141 141 ILE HG12 H 1 1.321 0.004 . 1 . . . . . 141 I HG12 . 51783 1 1239 . 1 . 1 141 141 ILE HG13 H 1 1.065 0.007 . 1 . . . . . 141 I HG13 . 51783 1 1240 . 1 . 1 141 141 ILE HG21 H 1 0.797 0.005 . 1 . . . . . 141 I HG2 . 51783 1 1241 . 1 . 1 141 141 ILE HG22 H 1 0.797 0.005 . 1 . . . . . 141 I HG2 . 51783 1 1242 . 1 . 1 141 141 ILE HG23 H 1 0.797 0.005 . 1 . . . . . 141 I HG2 . 51783 1 1243 . 1 . 1 141 141 ILE HD11 H 1 0.418 0.005 . 1 . . . . . 141 I HD1 . 51783 1 1244 . 1 . 1 141 141 ILE HD12 H 1 0.418 0.005 . 1 . . . . . 141 I HD1 . 51783 1 1245 . 1 . 1 141 141 ILE HD13 H 1 0.418 0.005 . 1 . . . . . 141 I HD1 . 51783 1 1246 . 1 . 1 141 141 ILE C C 13 176.625 0 . 1 . . . . . 141 I C . 51783 1 1247 . 1 . 1 141 141 ILE CA C 13 60.814 0.069 . 1 . . . . . 141 I CA . 51783 1 1248 . 1 . 1 141 141 ILE CB C 13 37.377 0.064 . 1 . . . . . 141 I CB . 51783 1 1249 . 1 . 1 141 141 ILE CG1 C 13 26.407 0.002 . 1 . . . . . 141 I CG1 . 51783 1 1250 . 1 . 1 141 141 ILE CG2 C 13 17.337 0.036 . 1 . . . . . 141 I CG2 . 51783 1 1251 . 1 . 1 141 141 ILE CD1 C 13 12.071 0.017 . 1 . . . . . 141 I CD1 . 51783 1 1252 . 1 . 1 141 141 ILE N N 15 114.497 0.016 . 1 . . . . . 141 I N . 51783 1 1253 . 1 . 1 142 142 ASP H H 1 8.356 0.004 . 1 . . . . . 142 D H . 51783 1 1254 . 1 . 1 142 142 ASP HA H 1 4.827 0 . 1 . . . . . 142 D HA . 51783 1 1255 . 1 . 1 142 142 ASP HB2 H 1 3.006 0.019 . 2 . . . . . 142 D HB2 . 51783 1 1256 . 1 . 1 142 142 ASP HB3 H 1 2.047 0.002 . 2 . . . . . 142 D HB3 . 51783 1 1257 . 1 . 1 142 142 ASP C C 13 177.158 0 . 1 . . . . . 142 D C . 51783 1 1258 . 1 . 1 142 142 ASP CA C 13 51.365 0.086 . 1 . . . . . 142 D CA . 51783 1 1259 . 1 . 1 142 142 ASP CB C 13 38.129 0.086 . 1 . . . . . 142 D CB . 51783 1 1260 . 1 . 1 142 142 ASP N N 15 121.306 0.072 . 1 . . . . . 142 D N . 51783 1 1261 . 1 . 1 143 143 VAL H H 1 7.844 0.003 . 1 . . . . . 143 V H . 51783 1 1262 . 1 . 1 143 143 VAL HA H 1 3.858 0.001 . 1 . . . . . 143 V HA . 51783 1 1263 . 1 . 1 143 143 VAL HB H 1 2.107 0.011 . 1 . . . . . 143 V HB . 51783 1 1264 . 1 . 1 143 143 VAL HG11 H 1 0.98 0.004 . 1 . . . . . 143 V HG1 . 51783 1 1265 . 1 . 1 143 143 VAL HG12 H 1 0.98 0.004 . 1 . . . . . 143 V HG1 . 51783 1 1266 . 1 . 1 143 143 VAL HG13 H 1 0.98 0.004 . 1 . . . . . 143 V HG1 . 51783 1 1267 . 1 . 1 143 143 VAL HG21 H 1 0.966 0.014 . 1 . . . . . 143 V HG2 . 51783 1 1268 . 1 . 1 143 143 VAL HG22 H 1 0.966 0.014 . 1 . . . . . 143 V HG2 . 51783 1 1269 . 1 . 1 143 143 VAL HG23 H 1 0.966 0.014 . 1 . . . . . 143 V HG2 . 51783 1 1270 . 1 . 1 143 143 VAL C C 13 177.501 0 . 1 . . . . . 143 V C . 51783 1 1271 . 1 . 1 143 143 VAL CA C 13 63.219 0.084 . 1 . . . . . 143 V CA . 51783 1 1272 . 1 . 1 143 143 VAL CB C 13 30.532 0.085 . 1 . . . . . 143 V CB . 51783 1 1273 . 1 . 1 143 143 VAL CG1 C 13 18.778 0.074 . 1 . . . . . 143 V CG1 . 51783 1 1274 . 1 . 1 143 143 VAL CG2 C 13 20.038 0.157 . 1 . . . . . 143 V CG2 . 51783 1 1275 . 1 . 1 143 143 VAL N N 15 121.633 0.033 . 1 . . . . . 143 V N . 51783 1 1276 . 1 . 1 144 144 ASN H H 1 8.759 0.004 . 1 . . . . . 144 N H . 51783 1 1277 . 1 . 1 144 144 ASN C C 13 176.223 0 . 1 . . . . . 144 N C . 51783 1 1278 . 1 . 1 144 144 ASN CA C 13 52.161 0.038 . 1 . . . . . 144 N CA . 51783 1 1279 . 1 . 1 144 144 ASN CB C 13 37.555 0.061 . 1 . . . . . 144 N CB . 51783 1 1280 . 1 . 1 144 144 ASN N N 15 117.089 0.022 . 1 . . . . . 144 N N . 51783 1 1281 . 1 . 1 145 145 GLY H H 1 7.826 0.002 . 1 . . . . . 145 G H . 51783 1 1282 . 1 . 1 145 145 GLY HA2 H 1 3.909 0 . 2 . . . . . 145 G HA2 . 51783 1 1283 . 1 . 1 145 145 GLY HA3 H 1 3.788 0 . 2 . . . . . 145 G HA3 . 51783 1 1284 . 1 . 1 145 145 GLY C C 13 175.598 0 . 1 . . . . . 145 G C . 51783 1 1285 . 1 . 1 145 145 GLY CA C 13 45.762 0.051 . 1 . . . . . 145 G CA . 51783 1 1286 . 1 . 1 145 145 GLY N N 15 109.753 0.046 . 1 . . . . . 145 G N . 51783 1 1287 . 1 . 1 146 146 ASP H H 1 9.307 0.009 . 1 . . . . . 146 D H . 51783 1 1288 . 1 . 1 146 146 ASP HA H 1 4.611 0 . 1 . . . . . 146 D HA . 51783 1 1289 . 1 . 1 146 146 ASP HB2 H 1 2.817 0.009 . 1 . . . . . 146 D HB . 51783 1 1290 . 1 . 1 146 146 ASP HB3 H 1 2.817 0.009 . 1 . . . . . 146 D HB . 51783 1 1291 . 1 . 1 146 146 ASP C C 13 178.614 0 . 1 . . . . . 146 D C . 51783 1 1292 . 1 . 1 146 146 ASP CA C 13 54.966 0.088 . 1 . . . . . 146 D CA . 51783 1 1293 . 1 . 1 146 146 ASP CB C 13 40.908 0.052 . 1 . . . . . 146 D CB . 51783 1 1294 . 1 . 1 146 146 ASP N N 15 122.064 0.028 . 1 . . . . . 146 D N . 51783 1 1295 . 1 . 1 147 147 GLY H H 1 10.612 0.004 . 1 . . . . . 147 G H . 51783 1 1296 . 1 . 1 147 147 GLY HA2 H 1 4.224 0 . 2 . . . . . 147 G HA2 . 51783 1 1297 . 1 . 1 147 147 GLY HA3 H 1 3.63 0 . 2 . . . . . 147 G HA3 . 51783 1 1298 . 1 . 1 147 147 GLY C C 13 173.08 0 . 1 . . . . . 147 G C . 51783 1 1299 . 1 . 1 147 147 GLY CA C 13 44.701 0.094 . 1 . . . . . 147 G CA . 51783 1 1300 . 1 . 1 147 147 GLY N N 15 111.739 0.042 . 1 . . . . . 147 G N . 51783 1 1301 . 1 . 1 148 148 GLU H H 1 7.431 0.006 . 1 . . . . . 148 E H . 51783 1 1302 . 1 . 1 148 148 GLU HA H 1 4.44 0.002 . 1 . . . . . 148 E HA . 51783 1 1303 . 1 . 1 148 148 GLU HB2 H 1 2.149 0.011 . 2 . . . . . 148 E HB2 . 51783 1 1304 . 1 . 1 148 148 GLU HB3 H 1 1.977 0 . 2 . . . . . 148 E HB3 . 51783 1 1305 . 1 . 1 148 148 GLU C C 13 174.362 0 . 1 . . . . . 148 E C . 51783 1 1306 . 1 . 1 148 148 GLU CA C 13 53.664 0.052 . 1 . . . . . 148 E CA . 51783 1 1307 . 1 . 1 148 148 GLU CB C 13 31.193 0.22 . 1 . . . . . 148 E CB . 51783 1 1308 . 1 . 1 148 148 GLU N N 15 117.52 0.069 . 1 . . . . . 148 E N . 51783 1 1309 . 1 . 1 149 149 LEU H H 1 8.722 0.009 . 1 . . . . . 149 L H . 51783 1 1310 . 1 . 1 149 149 LEU HA H 1 4.865 0.004 . 1 . . . . . 149 L HA . 51783 1 1311 . 1 . 1 149 149 LEU HB2 H 1 1.589 0 . 2 . . . . . 149 L HB2 . 51783 1 1312 . 1 . 1 149 149 LEU HB3 H 1 1.436 0.001 . 2 . . . . . 149 L HB3 . 51783 1 1313 . 1 . 1 149 149 LEU HD11 H 1 0.81 0.007 . 1 . . . . . 149 L HD1 . 51783 1 1314 . 1 . 1 149 149 LEU HD12 H 1 0.81 0.007 . 1 . . . . . 149 L HD1 . 51783 1 1315 . 1 . 1 149 149 LEU HD13 H 1 0.81 0.007 . 1 . . . . . 149 L HD1 . 51783 1 1316 . 1 . 1 149 149 LEU HD21 H 1 0.454 0.004 . 1 . . . . . 149 L HD2 . 51783 1 1317 . 1 . 1 149 149 LEU HD22 H 1 0.454 0.004 . 1 . . . . . 149 L HD2 . 51783 1 1318 . 1 . 1 149 149 LEU HD23 H 1 0.454 0.004 . 1 . . . . . 149 L HD2 . 51783 1 1319 . 1 . 1 149 149 LEU C C 13 175.802 0 . 1 . . . . . 149 L C . 51783 1 1320 . 1 . 1 149 149 LEU CA C 13 52.09 0.071 . 1 . . . . . 149 L CA . 51783 1 1321 . 1 . 1 149 149 LEU CB C 13 45.638 0.073 . 1 . . . . . 149 L CB . 51783 1 1322 . 1 . 1 149 149 LEU CD1 C 13 23.115 0.014 . 1 . . . . . 149 L CD1 . 51783 1 1323 . 1 . 1 149 149 LEU CD2 C 13 25.449 0.086 . 1 . . . . . 149 L CD2 . 51783 1 1324 . 1 . 1 149 149 LEU N N 15 122.193 0.07 . 1 . . . . . 149 L N . 51783 1 1325 . 1 . 1 150 150 SER H H 1 9.08 0.009 . 1 . . . . . 150 S H . 51783 1 1326 . 1 . 1 150 150 SER HA H 1 4.662 0.002 . 1 . . . . . 150 S HA . 51783 1 1327 . 1 . 1 150 150 SER HB2 H 1 4.299 0 . 2 . . . . . 150 S HB2 . 51783 1 1328 . 1 . 1 150 150 SER HB3 H 1 3.99 0 . 2 . . . . . 150 S HB3 . 51783 1 1329 . 1 . 1 150 150 SER C C 13 175.06 0 . 1 . . . . . 150 S C . 51783 1 1330 . 1 . 1 150 150 SER CA C 13 56.601 0.056 . 1 . . . . . 150 S CA . 51783 1 1331 . 1 . 1 150 150 SER CB C 13 63.134 0.031 . 1 . . . . . 150 S CB . 51783 1 1332 . 1 . 1 150 150 SER N N 15 118.174 0.029 . 1 . . . . . 150 S N . 51783 1 1333 . 1 . 1 151 151 LEU H H 1 8.747 0.003 . 1 . . . . . 151 L H . 51783 1 1334 . 1 . 1 151 151 LEU HA H 1 3.805 0.005 . 1 . . . . . 151 L HA . 51783 1 1335 . 1 . 1 151 151 LEU HB2 H 1 1.658 0.002 . 2 . . . . . 151 L HB2 . 51783 1 1336 . 1 . 1 151 151 LEU HB3 H 1 1.422 0.003 . 2 . . . . . 151 L HB3 . 51783 1 1337 . 1 . 1 151 151 LEU HD11 H 1 0.761 0.006 . 1 . . . . . 151 L HD1 . 51783 1 1338 . 1 . 1 151 151 LEU HD12 H 1 0.761 0.006 . 1 . . . . . 151 L HD1 . 51783 1 1339 . 1 . 1 151 151 LEU HD13 H 1 0.761 0.006 . 1 . . . . . 151 L HD1 . 51783 1 1340 . 1 . 1 151 151 LEU HD21 H 1 0.696 0.003 . 1 . . . . . 151 L HD2 . 51783 1 1341 . 1 . 1 151 151 LEU HD22 H 1 0.696 0.003 . 1 . . . . . 151 L HD2 . 51783 1 1342 . 1 . 1 151 151 LEU HD23 H 1 0.696 0.003 . 1 . . . . . 151 L HD2 . 51783 1 1343 . 1 . 1 151 151 LEU C C 13 178.87 0 . 1 . . . . . 151 L C . 51783 1 1344 . 1 . 1 151 151 LEU CA C 13 57.664 0.081 . 1 . . . . . 151 L CA . 51783 1 1345 . 1 . 1 151 151 LEU CB C 13 40.185 0.063 . 1 . . . . . 151 L CB . 51783 1 1346 . 1 . 1 151 151 LEU CD1 C 13 24.543 0.015 . 1 . . . . . 151 L CD1 . 51783 1 1347 . 1 . 1 151 151 LEU CD2 C 13 23.622 0.061 . 1 . . . . . 151 L CD2 . 51783 1 1348 . 1 . 1 151 151 LEU N N 15 124.485 0.075 . 1 . . . . . 151 L N . 51783 1 1349 . 1 . 1 152 152 GLU H H 1 8.526 0.002 . 1 . . . . . 152 E H . 51783 1 1350 . 1 . 1 152 152 GLU C C 13 179.412 0 . 1 . . . . . 152 E C . 51783 1 1351 . 1 . 1 152 152 GLU CA C 13 58.387 0.092 . 1 . . . . . 152 E CA . 51783 1 1352 . 1 . 1 152 152 GLU CB C 13 27.475 0.054 . 1 . . . . . 152 E CB . 51783 1 1353 . 1 . 1 152 152 GLU N N 15 115.841 0.05 . 1 . . . . . 152 E N . 51783 1 1354 . 1 . 1 153 153 GLU H H 1 7.804 0.002 . 1 . . . . . 153 E H . 51783 1 1355 . 1 . 1 153 153 GLU HA H 1 4.065 0.003 . 1 . . . . . 153 E HA . 51783 1 1356 . 1 . 1 153 153 GLU HB2 H 1 2.267 0.017 . 1 . . . . . 153 E HB . 51783 1 1357 . 1 . 1 153 153 GLU HB3 H 1 2.267 0.017 . 1 . . . . . 153 E HB . 51783 1 1358 . 1 . 1 153 153 GLU C C 13 179.897 0 . 1 . . . . . 153 E C . 51783 1 1359 . 1 . 1 153 153 GLU CA C 13 57.92 0.108 . 1 . . . . . 153 E CA . 51783 1 1360 . 1 . 1 153 153 GLU CB C 13 28.558 0.047 . 1 . . . . . 153 E CB . 51783 1 1361 . 1 . 1 153 153 GLU CG C 13 35.675 0 . 1 . . . . . 153 E CG . 51783 1 1362 . 1 . 1 153 153 GLU N N 15 120.174 0.03 . 1 . . . . . 153 E N . 51783 1 1363 . 1 . 1 154 154 PHE H H 1 8.565 0.003 . 1 . . . . . 154 F H . 51783 1 1364 . 1 . 1 154 154 PHE HD1 H 1 6.998 0 . 1 . . . . . 154 F HD . 51783 1 1365 . 1 . 1 154 154 PHE HD2 H 1 6.998 0 . 1 . . . . . 154 F HD . 51783 1 1366 . 1 . 1 154 154 PHE HE1 H 1 6.999 0 . 1 . . . . . 154 F HE . 51783 1 1367 . 1 . 1 154 154 PHE HE2 H 1 6.999 0 . 1 . . . . . 154 F HE . 51783 1 1368 . 1 . 1 154 154 PHE C C 13 176.431 0 . 1 . . . . . 154 F C . 51783 1 1369 . 1 . 1 154 154 PHE CA C 13 58.246 6.722 . 1 . . . . . 154 F CA . 51783 1 1370 . 1 . 1 154 154 PHE CB C 13 38.133 0.045 . 1 . . . . . 154 F CB . 51783 1 1371 . 1 . 1 154 154 PHE N N 15 122.14 0.033 . 1 . . . . . 154 F N . 51783 1 1372 . 1 . 1 155 155 MET H H 1 8.664 0.005 . 1 . . . . . 155 M H . 51783 1 1373 . 1 . 1 155 155 MET HA H 1 4.264 0 . 1 . . . . . 155 M HA . 51783 1 1374 . 1 . 1 155 155 MET HB2 H 1 2.263 0 . 2 . . . . . 155 M HB2 . 51783 1 1375 . 1 . 1 155 155 MET HB3 H 1 2.022 0 . 2 . . . . . 155 M HB3 . 51783 1 1376 . 1 . 1 155 155 MET C C 13 179.72 0 . 1 . . . . . 155 M C . 51783 1 1377 . 1 . 1 155 155 MET CA C 13 55.819 0.105 . 1 . . . . . 155 M CA . 51783 1 1378 . 1 . 1 155 155 MET CB C 13 29.523 0.122 . 1 . . . . . 155 M CB . 51783 1 1379 . 1 . 1 155 155 MET CG C 13 32.008 0 . 1 . . . . . 155 M CG . 51783 1 1380 . 1 . 1 155 155 MET N N 15 116.294 0.074 . 1 . . . . . 155 M N . 51783 1 1381 . 1 . 1 156 156 GLU H H 1 8.214 0.012 . 1 . . . . . 156 E H . 51783 1 1382 . 1 . 1 156 156 GLU HA H 1 3.99 0.005 . 1 . . . . . 156 E HA . 51783 1 1383 . 1 . 1 156 156 GLU HB2 H 1 2.273 0 . 2 . . . . . 156 E HB2 . 51783 1 1384 . 1 . 1 156 156 GLU HB3 H 1 2.038 0 . 2 . . . . . 156 E HB3 . 51783 1 1385 . 1 . 1 156 156 GLU C C 13 179.413 0 . 1 . . . . . 156 E C . 51783 1 1386 . 1 . 1 156 156 GLU CA C 13 57.754 0.063 . 1 . . . . . 156 E CA . 51783 1 1387 . 1 . 1 156 156 GLU CB C 13 28.04 0.051 . 1 . . . . . 156 E CB . 51783 1 1388 . 1 . 1 156 156 GLU N N 15 120.255 0.16 . 1 . . . . . 156 E N . 51783 1 1389 . 1 . 1 157 157 GLY H H 1 7.988 0.005 . 1 . . . . . 157 G H . 51783 1 1390 . 1 . 1 157 157 GLY HA2 H 1 4.114 0 . 1 . . . . . 157 G HA . 51783 1 1391 . 1 . 1 157 157 GLY HA3 H 1 4.114 0 . 1 . . . . . 157 G HA . 51783 1 1392 . 1 . 1 157 157 GLY C C 13 179.362 0 . 1 . . . . . 157 G C . 51783 1 1393 . 1 . 1 157 157 GLY CA C 13 45.879 0.069 . 1 . . . . . 157 G CA . 51783 1 1394 . 1 . 1 157 157 GLY N N 15 107.696 0.041 . 1 . . . . . 157 G N . 51783 1 1395 . 1 . 1 158 158 ILE H H 1 7.868 0.004 . 1 . . . . . 158 I H . 51783 1 1396 . 1 . 1 158 158 ILE HA H 1 3.731 0.004 . 1 . . . . . 158 I HA . 51783 1 1397 . 1 . 1 158 158 ILE HB H 1 1.744 0.011 . 1 . . . . . 158 I HB . 51783 1 1398 . 1 . 1 158 158 ILE HG12 H 1 1.318 0.002 . 1 . . . . . 158 I HG12 . 51783 1 1399 . 1 . 1 158 158 ILE HG13 H 1 0.998 0.008 . 1 . . . . . 158 I HG13 . 51783 1 1400 . 1 . 1 158 158 ILE HG21 H 1 0.505 0.013 . 1 . . . . . 158 I HG2 . 51783 1 1401 . 1 . 1 158 158 ILE HG22 H 1 0.505 0.013 . 1 . . . . . 158 I HG2 . 51783 1 1402 . 1 . 1 158 158 ILE HG23 H 1 0.505 0.013 . 1 . . . . . 158 I HG2 . 51783 1 1403 . 1 . 1 158 158 ILE HD11 H 1 0.526 0.011 . 1 . . . . . 158 I HD1 . 51783 1 1404 . 1 . 1 158 158 ILE HD12 H 1 0.526 0.011 . 1 . . . . . 158 I HD1 . 51783 1 1405 . 1 . 1 158 158 ILE HD13 H 1 0.526 0.011 . 1 . . . . . 158 I HD1 . 51783 1 1406 . 1 . 1 158 158 ILE C C 13 177.099 0 . 1 . . . . . 158 I C . 51783 1 1407 . 1 . 1 158 158 ILE CA C 13 62.858 0.071 . 1 . . . . . 158 I CA . 51783 1 1408 . 1 . 1 158 158 ILE CB C 13 36.282 0.115 . 1 . . . . . 158 I CB . 51783 1 1409 . 1 . 1 158 158 ILE CG1 C 13 25.484 0.057 . 1 . . . . . 158 I CG1 . 51783 1 1410 . 1 . 1 158 158 ILE CG2 C 13 17.353 0.061 . 1 . . . . . 158 I CG2 . 51783 1 1411 . 1 . 1 158 158 ILE CD1 C 13 13.081 0.051 . 1 . . . . . 158 I CD1 . 51783 1 1412 . 1 . 1 158 158 ILE N N 15 117.383 0.091 . 1 . . . . . 158 I N . 51783 1 1413 . 1 . 1 159 159 SER H H 1 7.444 0.004 . 1 . . . . . 159 S H . 51783 1 1414 . 1 . 1 159 159 SER HA H 1 4.144 0.007 . 1 . . . . . 159 S HA . 51783 1 1415 . 1 . 1 159 159 SER HB2 H 1 3.906 0.006 . 1 . . . . . 159 S HB . 51783 1 1416 . 1 . 1 159 159 SER HB3 H 1 3.906 0.006 . 1 . . . . . 159 S HB . 51783 1 1417 . 1 . 1 159 159 SER C C 13 175.1 0 . 1 . . . . . 159 S C . 51783 1 1418 . 1 . 1 159 159 SER CA C 13 59.272 0.086 . 1 . . . . . 159 S CA . 51783 1 1419 . 1 . 1 159 159 SER CB C 13 61.929 0.066 . 1 . . . . . 159 S CB . 51783 1 1420 . 1 . 1 159 159 SER N N 15 113.519 0.031 . 1 . . . . . 159 S N . 51783 1 1421 . 1 . 1 160 160 ALA H H 1 7.318 0.003 . 1 . . . . . 160 A H . 51783 1 1422 . 1 . 1 160 160 ALA HA H 1 4.307 0.005 . 1 . . . . . 160 A HA . 51783 1 1423 . 1 . 1 160 160 ALA HB1 H 1 1.472 0.01 . 1 . . . . . 160 A HB . 51783 1 1424 . 1 . 1 160 160 ALA HB2 H 1 1.472 0.01 . 1 . . . . . 160 A HB . 51783 1 1425 . 1 . 1 160 160 ALA HB3 H 1 1.472 0.01 . 1 . . . . . 160 A HB . 51783 1 1426 . 1 . 1 160 160 ALA C C 13 176.45 0 . 1 . . . . . 160 A C . 51783 1 1427 . 1 . 1 160 160 ALA CA C 13 51.322 0.058 . 1 . . . . . 160 A CA . 51783 1 1428 . 1 . 1 160 160 ALA CB C 13 18.093 0.046 . 1 . . . . . 160 A CB . 51783 1 1429 . 1 . 1 160 160 ALA N N 15 120.761 0.068 . 1 . . . . . 160 A N . 51783 1 1430 . 1 . 1 161 161 ASP H H 1 7.193 0.002 . 1 . . . . . 161 D H . 51783 1 1431 . 1 . 1 161 161 ASP HA H 1 4.882 0 . 1 . . . . . 161 D HA . 51783 1 1432 . 1 . 1 161 161 ASP HB2 H 1 2.891 0 . 1 . . . . . 161 D HB . 51783 1 1433 . 1 . 1 161 161 ASP HB3 H 1 2.891 0 . 1 . . . . . 161 D HB . 51783 1 1434 . 1 . 1 161 161 ASP C C 13 175.036 0 . 1 . . . . . 161 D C . 51783 1 1435 . 1 . 1 161 161 ASP CA C 13 51.791 0.108 . 1 . . . . . 161 D CA . 51783 1 1436 . 1 . 1 161 161 ASP CB C 13 41.952 0.058 . 1 . . . . . 161 D CB . 51783 1 1437 . 1 . 1 161 161 ASP N N 15 118.846 0.056 . 1 . . . . . 161 D N . 51783 1 1438 . 1 . 1 162 162 GLU H H 1 8.936 0.004 . 1 . . . . . 162 E H . 51783 1 1439 . 1 . 1 162 162 GLU HA H 1 4.093 0 . 1 . . . . . 162 E HA . 51783 1 1440 . 1 . 1 162 162 GLU HB2 H 1 2.063 0.012 . 1 . . . . . 162 E HB . 51783 1 1441 . 1 . 1 162 162 GLU HB3 H 1 2.063 0.012 . 1 . . . . . 162 E HB . 51783 1 1442 . 1 . 1 162 162 GLU C C 13 178.524 0 . 1 . . . . . 162 E C . 51783 1 1443 . 1 . 1 162 162 GLU CA C 13 58.297 0.069 . 1 . . . . . 162 E CA . 51783 1 1444 . 1 . 1 162 162 GLU CB C 13 28.581 0.015 . 1 . . . . . 162 E CB . 51783 1 1445 . 1 . 1 162 162 GLU N N 15 127.111 0.042 . 1 . . . . . 162 E N . 51783 1 1446 . 1 . 1 163 163 LYS H H 1 8.175 0.001 . 1 . . . . . 163 K H . 51783 1 1447 . 1 . 1 163 163 LYS HA H 1 4.21 0.005 . 1 . . . . . 163 K HA . 51783 1 1448 . 1 . 1 163 163 LYS HB2 H 1 1.92 0 . 1 . . . . . 163 K HB . 51783 1 1449 . 1 . 1 163 163 LYS HB3 H 1 1.92 0 . 1 . . . . . 163 K HB . 51783 1 1450 . 1 . 1 163 163 LYS C C 13 179.854 0 . 1 . . . . . 163 K C . 51783 1 1451 . 1 . 1 163 163 LYS CA C 13 57.56 0.119 . 1 . . . . . 163 K CA . 51783 1 1452 . 1 . 1 163 163 LYS CB C 13 30.299 0.079 . 1 . . . . . 163 K CB . 51783 1 1453 . 1 . 1 163 163 LYS N N 15 120.056 0.034 . 1 . . . . . 163 K N . 51783 1 1454 . 1 . 1 164 164 ILE H H 1 8.531 0.004 . 1 . . . . . 164 I H . 51783 1 1455 . 1 . 1 164 164 ILE HA H 1 3.74 0.003 . 1 . . . . . 164 I HA . 51783 1 1456 . 1 . 1 164 164 ILE HB H 1 2.021 0.009 . 1 . . . . . 164 I HB . 51783 1 1457 . 1 . 1 164 164 ILE HG12 H 1 1.633 0.005 . 1 . . . . . 164 I HG12 . 51783 1 1458 . 1 . 1 164 164 ILE HG13 H 1 1.138 0.007 . 1 . . . . . 164 I HG13 . 51783 1 1459 . 1 . 1 164 164 ILE HG21 H 1 0.924 0.003 . 1 . . . . . 164 I HG2 . 51783 1 1460 . 1 . 1 164 164 ILE HG22 H 1 0.924 0.003 . 1 . . . . . 164 I HG2 . 51783 1 1461 . 1 . 1 164 164 ILE HG23 H 1 0.924 0.003 . 1 . . . . . 164 I HG2 . 51783 1 1462 . 1 . 1 164 164 ILE HD11 H 1 0.838 0 . 1 . . . . . 164 I HD1 . 51783 1 1463 . 1 . 1 164 164 ILE HD12 H 1 0.838 0 . 1 . . . . . 164 I HD1 . 51783 1 1464 . 1 . 1 164 164 ILE HD13 H 1 0.838 0 . 1 . . . . . 164 I HD1 . 51783 1 1465 . 1 . 1 164 164 ILE C C 13 178.245 0 . 1 . . . . . 164 I C . 51783 1 1466 . 1 . 1 164 164 ILE CA C 13 63.562 0.087 . 1 . . . . . 164 I CA . 51783 1 1467 . 1 . 1 164 164 ILE CB C 13 35.884 0.053 . 1 . . . . . 164 I CB . 51783 1 1468 . 1 . 1 164 164 ILE CG1 C 13 28.181 0.038 . 1 . . . . . 164 I CG1 . 51783 1 1469 . 1 . 1 164 164 ILE N N 15 121.205 0.038 . 1 . . . . . 164 I N . 51783 1 1470 . 1 . 1 165 165 SER H H 1 8.512 0.002 . 1 . . . . . 165 S H . 51783 1 1471 . 1 . 1 165 165 SER C C 13 177.702 0 . 1 . . . . . 165 S C . 51783 1 1472 . 1 . 1 165 165 SER CA C 13 62.652 0.119 . 1 . . . . . 165 S CA . 51783 1 1473 . 1 . 1 165 165 SER CB C 13 61.447 0.03 . 1 . . . . . 165 S CB . 51783 1 1474 . 1 . 1 165 165 SER N N 15 115.468 0.039 . 1 . . . . . 165 S N . 51783 1 1475 . 1 . 1 166 166 GLU H H 1 8.297 0.02 . 1 . . . . . 166 E H . 51783 1 1476 . 1 . 1 166 166 GLU HA H 1 4.132 0 . 1 . . . . . 166 E HA . 51783 1 1477 . 1 . 1 166 166 GLU C C 13 178.693 0 . 1 . . . . . 166 E C . 51783 1 1478 . 1 . 1 166 166 GLU CA C 13 58.643 0.067 . 1 . . . . . 166 E CA . 51783 1 1479 . 1 . 1 166 166 GLU CB C 13 28.343 0.065 . 1 . . . . . 166 E CB . 51783 1 1480 . 1 . 1 166 166 GLU N N 15 124.255 0.053 . 1 . . . . . 166 E N . 51783 1 1481 . 1 . 1 167 167 MET H H 1 8.114 0.005 . 1 . . . . . 167 M H . 51783 1 1482 . 1 . 1 167 167 MET HA H 1 4.207 0.003 . 1 . . . . . 167 M HA . 51783 1 1483 . 1 . 1 167 167 MET HB2 H 1 2.231 0 . 1 . . . . . 167 M HB . 51783 1 1484 . 1 . 1 167 167 MET HB3 H 1 2.231 0 . 1 . . . . . 167 M HB . 51783 1 1485 . 1 . 1 167 167 MET HG2 H 1 2.679 0 . 1 . . . . . 167 M HG . 51783 1 1486 . 1 . 1 167 167 MET HG3 H 1 2.679 0 . 1 . . . . . 167 M HG . 51783 1 1487 . 1 . 1 167 167 MET C C 13 180.154 0 . 1 . . . . . 167 M C . 51783 1 1488 . 1 . 1 167 167 MET CA C 13 57.816 0.117 . 1 . . . . . 167 M CA . 51783 1 1489 . 1 . 1 167 167 MET CB C 13 31.654 0.077 . 1 . . . . . 167 M CB . 51783 1 1490 . 1 . 1 167 167 MET CG C 13 30.543 0 . 1 . . . . . 167 M CG . 51783 1 1491 . 1 . 1 167 167 MET N N 15 119.589 0.076 . 1 . . . . . 167 M N . 51783 1 1492 . 1 . 1 168 168 LEU H H 1 8.763 0.006 . 1 . . . . . 168 L H . 51783 1 1493 . 1 . 1 168 168 LEU HA H 1 4.049 0.002 . 1 . . . . . 168 L HA . 51783 1 1494 . 1 . 1 168 168 LEU HB2 H 1 2.041 0 . 2 . . . . . 168 L HB2 . 51783 1 1495 . 1 . 1 168 168 LEU HB3 H 1 1.403 0 . 2 . . . . . 168 L HB3 . 51783 1 1496 . 1 . 1 168 168 LEU C C 13 177.857 0 . 1 . . . . . 168 L C . 51783 1 1497 . 1 . 1 168 168 LEU CA C 13 56.629 0.086 . 1 . . . . . 168 L CA . 51783 1 1498 . 1 . 1 168 168 LEU CB C 13 40.734 0.108 . 1 . . . . . 168 L CB . 51783 1 1499 . 1 . 1 168 168 LEU N N 15 120.142 0.034 . 1 . . . . . 168 L N . 51783 1 1500 . 1 . 1 169 169 THR H H 1 8.368 0.008 . 1 . . . . . 169 T H . 51783 1 1501 . 1 . 1 169 169 THR HA H 1 3.712 0.003 . 1 . . . . . 169 T HA . 51783 1 1502 . 1 . 1 169 169 THR HB H 1 4.469 0.002 . 1 . . . . . 169 T HB . 51783 1 1503 . 1 . 1 169 169 THR HG21 H 1 1.269 0.004 . 1 . . . . . 169 T HG2 . 51783 1 1504 . 1 . 1 169 169 THR HG22 H 1 1.269 0.004 . 1 . . . . . 169 T HG2 . 51783 1 1505 . 1 . 1 169 169 THR HG23 H 1 1.269 0.004 . 1 . . . . . 169 T HG2 . 51783 1 1506 . 1 . 1 169 169 THR C C 13 176.655 0 . 1 . . . . . 169 T C . 51783 1 1507 . 1 . 1 169 169 THR CA C 13 66.167 0.099 . 1 . . . . . 169 T CA . 51783 1 1508 . 1 . 1 169 169 THR CB C 13 67.32 0.053 . 1 . . . . . 169 T CB . 51783 1 1509 . 1 . 1 169 169 THR CG2 C 13 19.671 0.152 . 1 . . . . . 169 T CG2 . 51783 1 1510 . 1 . 1 169 169 THR N N 15 117.523 0.061 . 1 . . . . . 169 T N . 51783 1 1511 . 1 . 1 170 170 GLN H H 1 7.646 0.003 . 1 . . . . . 170 Q H . 51783 1 1512 . 1 . 1 170 170 GLN HA H 1 4.234 0.006 . 1 . . . . . 170 Q HA . 51783 1 1513 . 1 . 1 170 170 GLN HB2 H 1 2.149 0.012 . 1 . . . . . 170 Q HB . 51783 1 1514 . 1 . 1 170 170 GLN HB3 H 1 2.149 0.012 . 1 . . . . . 170 Q HB . 51783 1 1515 . 1 . 1 170 170 GLN C C 13 179.073 0 . 1 . . . . . 170 Q C . 51783 1 1516 . 1 . 1 170 170 GLN CA C 13 57.405 0.087 . 1 . . . . . 170 Q CA . 51783 1 1517 . 1 . 1 170 170 GLN CB C 13 27.323 0.043 . 1 . . . . . 170 Q CB . 51783 1 1518 . 1 . 1 170 170 GLN N N 15 118.09 0.023 . 1 . . . . . 170 Q N . 51783 1 1519 . 1 . 1 171 171 SER H H 1 8.139 0.006 . 1 . . . . . 171 S H . 51783 1 1520 . 1 . 1 171 171 SER HA H 1 4.177 0 . 1 . . . . . 171 S HA . 51783 1 1521 . 1 . 1 171 171 SER C C 13 174.316 0 . 1 . . . . . 171 S C . 51783 1 1522 . 1 . 1 171 171 SER CA C 13 61.112 0.315 . 1 . . . . . 171 S CA . 51783 1 1523 . 1 . 1 171 171 SER CB C 13 62.044 0.014 . 1 . . . . . 171 S CB . 51783 1 1524 . 1 . 1 171 171 SER N N 15 115.177 0.056 . 1 . . . . . 171 S N . 51783 1 1525 . 1 . 1 172 172 LEU H H 1 7.671 0.004 . 1 . . . . . 172 L H . 51783 1 1526 . 1 . 1 172 172 LEU HA H 1 4.442 0.005 . 1 . . . . . 172 L HA . 51783 1 1527 . 1 . 1 172 172 LEU HB2 H 1 1.858 0.039 . 1 . . . . . 172 L HB . 51783 1 1528 . 1 . 1 172 172 LEU HB3 H 1 1.858 0.039 . 1 . . . . . 172 L HB . 51783 1 1529 . 1 . 1 172 172 LEU HD11 H 1 0.606 0.002 . 1 . . . . . 172 L HD1 . 51783 1 1530 . 1 . 1 172 172 LEU HD12 H 1 0.606 0.002 . 1 . . . . . 172 L HD1 . 51783 1 1531 . 1 . 1 172 172 LEU HD13 H 1 0.606 0.002 . 1 . . . . . 172 L HD1 . 51783 1 1532 . 1 . 1 172 172 LEU HD21 H 1 0.819 0.002 . 1 . . . . . 172 L HD2 . 51783 1 1533 . 1 . 1 172 172 LEU HD22 H 1 0.819 0.002 . 1 . . . . . 172 L HD2 . 51783 1 1534 . 1 . 1 172 172 LEU HD23 H 1 0.819 0.002 . 1 . . . . . 172 L HD2 . 51783 1 1535 . 1 . 1 172 172 LEU C C 13 176.706 0 . 1 . . . . . 172 L C . 51783 1 1536 . 1 . 1 172 172 LEU CA C 13 52.853 0.088 . 1 . . . . . 172 L CA . 51783 1 1537 . 1 . 1 172 172 LEU CB C 13 39.393 0.094 . 1 . . . . . 172 L CB . 51783 1 1538 . 1 . 1 172 172 LEU CD1 C 13 21.447 0.058 . 1 . . . . . 172 L CD1 . 51783 1 1539 . 1 . 1 172 172 LEU CD2 C 13 24.624 0.058 . 1 . . . . . 172 L CD2 . 51783 1 1540 . 1 . 1 172 172 LEU N N 15 114.295 0.097 . 1 . . . . . 172 L N . 51783 1 1541 . 1 . 1 173 173 ASP H H 1 7.258 0.005 . 1 . . . . . 173 D H . 51783 1 1542 . 1 . 1 173 173 ASP HB2 H 1 3.092 0 . 2 . . . . . 173 D HB2 . 51783 1 1543 . 1 . 1 173 173 ASP HB3 H 1 2.842 0 . 2 . . . . . 173 D HB3 . 51783 1 1544 . 1 . 1 173 173 ASP C C 13 176.268 0 . 1 . . . . . 173 D C . 51783 1 1545 . 1 . 1 173 173 ASP CA C 13 52.962 0.044 . 1 . . . . . 173 D CA . 51783 1 1546 . 1 . 1 173 173 ASP CB C 13 38.726 0.053 . 1 . . . . . 173 D CB . 51783 1 1547 . 1 . 1 173 173 ASP N N 15 121.391 0.045 . 1 . . . . . 173 D N . 51783 1 1548 . 1 . 1 174 174 LEU H H 1 8.65 0.006 . 1 . . . . . 174 L H . 51783 1 1549 . 1 . 1 174 174 LEU HA H 1 4.368 0.024 . 1 . . . . . 174 L HA . 51783 1 1550 . 1 . 1 174 174 LEU HB2 H 1 1.637 0.001 . 1 . . . . . 174 L HB . 51783 1 1551 . 1 . 1 174 174 LEU HB3 H 1 1.637 0.001 . 1 . . . . . 174 L HB . 51783 1 1552 . 1 . 1 174 174 LEU HD11 H 1 0.872 0.002 . 1 . . . . . 174 L HD1 . 51783 1 1553 . 1 . 1 174 174 LEU HD12 H 1 0.872 0.002 . 1 . . . . . 174 L HD1 . 51783 1 1554 . 1 . 1 174 174 LEU HD13 H 1 0.872 0.002 . 1 . . . . . 174 L HD1 . 51783 1 1555 . 1 . 1 174 174 LEU HD21 H 1 0.934 0.005 . 1 . . . . . 174 L HD2 . 51783 1 1556 . 1 . 1 174 174 LEU HD22 H 1 0.934 0.005 . 1 . . . . . 174 L HD2 . 51783 1 1557 . 1 . 1 174 174 LEU HD23 H 1 0.934 0.005 . 1 . . . . . 174 L HD2 . 51783 1 1558 . 1 . 1 174 174 LEU C C 13 178.246 0 . 1 . . . . . 174 L C . 51783 1 1559 . 1 . 1 174 174 LEU CA C 13 53.925 0.089 . 1 . . . . . 174 L CA . 51783 1 1560 . 1 . 1 174 174 LEU CB C 13 41.061 0.098 . 1 . . . . . 174 L CB . 51783 1 1561 . 1 . 1 174 174 LEU CD1 C 13 22.337 0.028 . 1 . . . . . 174 L CD1 . 51783 1 1562 . 1 . 1 174 174 LEU CD2 C 13 23.741 0.066 . 1 . . . . . 174 L CD2 . 51783 1 1563 . 1 . 1 174 174 LEU N N 15 126.522 0.033 . 1 . . . . . 174 L N . 51783 1 1564 . 1 . 1 175 175 THR H H 1 8.328 0.007 . 1 . . . . . 175 T H . 51783 1 1565 . 1 . 1 175 175 THR HA H 1 3.992 0.014 . 1 . . . . . 175 T HA . 51783 1 1566 . 1 . 1 175 175 THR HB H 1 4.344 0.006 . 1 . . . . . 175 T HB . 51783 1 1567 . 1 . 1 175 175 THR HG21 H 1 1.175 0.007 . 1 . . . . . 175 T HG2 . 51783 1 1568 . 1 . 1 175 175 THR HG22 H 1 1.175 0.007 . 1 . . . . . 175 T HG2 . 51783 1 1569 . 1 . 1 175 175 THR HG23 H 1 1.175 0.007 . 1 . . . . . 175 T HG2 . 51783 1 1570 . 1 . 1 175 175 THR C C 13 174.062 0 . 1 . . . . . 175 T C . 51783 1 1571 . 1 . 1 175 175 THR CA C 13 60.249 0.095 . 1 . . . . . 175 T CA . 51783 1 1572 . 1 . 1 175 175 THR CB C 13 67.723 0.036 . 1 . . . . . 175 T CB . 51783 1 1573 . 1 . 1 175 175 THR CG2 C 13 20.768 0.101 . 1 . . . . . 175 T CG2 . 51783 1 1574 . 1 . 1 175 175 THR N N 15 109.788 0.081 . 1 . . . . . 175 T N . 51783 1 1575 . 1 . 1 176 176 ARG H H 1 7.613 0.004 . 1 . . . . . 176 R H . 51783 1 1576 . 1 . 1 176 176 ARG CA C 13 55.991 0.081 . 1 . . . . . 176 R CA . 51783 1 1577 . 1 . 1 176 176 ARG CB C 13 29.41 0.028 . 1 . . . . . 176 R CB . 51783 1 1578 . 1 . 1 176 176 ARG N N 15 122.433 0.064 . 1 . . . . . 176 R N . 51783 1 1579 . 1 . 1 177 177 ILE H H 1 8.353 0.007 . 1 . . . . . 177 I H . 51783 1 1580 . 1 . 1 177 177 ILE HA H 1 4.419 0.004 . 1 . . . . . 177 I HA . 51783 1 1581 . 1 . 1 177 177 ILE HB H 1 1.913 0.009 . 1 . . . . . 177 I HB . 51783 1 1582 . 1 . 1 177 177 ILE HG12 H 1 1.549 0.003 . 1 . . . . . 177 I HG12 . 51783 1 1583 . 1 . 1 177 177 ILE HG13 H 1 1.28 0.002 . 1 . . . . . 177 I HG13 . 51783 1 1584 . 1 . 1 177 177 ILE HG21 H 1 0.93 0.004 . 1 . . . . . 177 I HG2 . 51783 1 1585 . 1 . 1 177 177 ILE HG22 H 1 0.93 0.004 . 1 . . . . . 177 I HG2 . 51783 1 1586 . 1 . 1 177 177 ILE HG23 H 1 0.93 0.004 . 1 . . . . . 177 I HG2 . 51783 1 1587 . 1 . 1 177 177 ILE HD11 H 1 0.877 0.007 . 1 . . . . . 177 I HD1 . 51783 1 1588 . 1 . 1 177 177 ILE HD12 H 1 0.877 0.007 . 1 . . . . . 177 I HD1 . 51783 1 1589 . 1 . 1 177 177 ILE HD13 H 1 0.877 0.007 . 1 . . . . . 177 I HD1 . 51783 1 1590 . 1 . 1 177 177 ILE C C 13 176.593 0 . 1 . . . . . 177 I C . 51783 1 1591 . 1 . 1 177 177 ILE CA C 13 59.144 0.058 . 1 . . . . . 177 I CA . 51783 1 1592 . 1 . 1 177 177 ILE CB C 13 37.317 0.079 . 1 . . . . . 177 I CB . 51783 1 1593 . 1 . 1 177 177 ILE CG1 C 13 25.998 0.072 . 1 . . . . . 177 I CG1 . 51783 1 1594 . 1 . 1 177 177 ILE CG2 C 13 16.409 0.041 . 1 . . . . . 177 I CG2 . 51783 1 1595 . 1 . 1 177 177 ILE CD1 C 13 11.575 0.061 . 1 . . . . . 177 I CD1 . 51783 1 1596 . 1 . 1 177 177 ILE N N 15 122.762 0.027 . 1 . . . . . 177 I N . 51783 1 1597 . 1 . 1 178 178 VAL H H 1 8.494 0.003 . 1 . . . . . 178 V H . 51783 1 1598 . 1 . 1 178 178 VAL HA H 1 4.282 0.008 . 1 . . . . . 178 V HA . 51783 1 1599 . 1 . 1 178 178 VAL HB H 1 2.115 0.006 . 1 . . . . . 178 V HB . 51783 1 1600 . 1 . 1 178 178 VAL HG11 H 1 0.939 0.008 . 1 . . . . . 178 V HG1 . 51783 1 1601 . 1 . 1 178 178 VAL HG12 H 1 0.939 0.008 . 1 . . . . . 178 V HG1 . 51783 1 1602 . 1 . 1 178 178 VAL HG13 H 1 0.939 0.008 . 1 . . . . . 178 V HG1 . 51783 1 1603 . 1 . 1 178 178 VAL HG21 H 1 0.944 0.014 . 1 . . . . . 178 V HG2 . 51783 1 1604 . 1 . 1 178 178 VAL HG22 H 1 0.944 0.014 . 1 . . . . . 178 V HG2 . 51783 1 1605 . 1 . 1 178 178 VAL HG23 H 1 0.944 0.014 . 1 . . . . . 178 V HG2 . 51783 1 1606 . 1 . 1 178 178 VAL C C 13 175.811 0 . 1 . . . . . 178 V C . 51783 1 1607 . 1 . 1 178 178 VAL CA C 13 60.624 0.072 . 1 . . . . . 178 V CA . 51783 1 1608 . 1 . 1 178 178 VAL CB C 13 31.675 0.075 . 1 . . . . . 178 V CB . 51783 1 1609 . 1 . 1 178 178 VAL CG1 C 13 18.918 0.012 . 1 . . . . . 178 V CG1 . 51783 1 1610 . 1 . 1 178 178 VAL CG2 C 13 20.098 0.169 . 1 . . . . . 178 V CG2 . 51783 1 1611 . 1 . 1 178 178 VAL N N 15 125.026 0.059 . 1 . . . . . 178 V N . 51783 1 1612 . 1 . 1 179 179 SER H H 1 8.385 0.003 . 1 . . . . . 179 S H . 51783 1 1613 . 1 . 1 179 179 SER HA H 1 4.471 0.002 . 1 . . . . . 179 S HA . 51783 1 1614 . 1 . 1 179 179 SER HB2 H 1 4.087 0 . 2 . . . . . 179 S HB2 . 51783 1 1615 . 1 . 1 179 179 SER HB3 H 1 3.818 0.003 . 2 . . . . . 179 S HB3 . 51783 1 1616 . 1 . 1 179 179 SER C C 13 174.192 0 . 1 . . . . . 179 S C . 51783 1 1617 . 1 . 1 179 179 SER CA C 13 56.914 0.153 . 1 . . . . . 179 S CA . 51783 1 1618 . 1 . 1 179 179 SER CB C 13 62.677 0.036 . 1 . . . . . 179 S CB . 51783 1 1619 . 1 . 1 179 179 SER N N 15 119.046 0.037 . 1 . . . . . 179 S N . 51783 1 1620 . 1 . 1 180 180 ASN H H 1 8.445 0.006 . 1 . . . . . 180 N H . 51783 1 1621 . 1 . 1 180 180 ASN HA H 1 4.72 0.009 . 1 . . . . . 180 N HA . 51783 1 1622 . 1 . 1 180 180 ASN HB2 H 1 2.76 0 . 1 . . . . . 180 N HB . 51783 1 1623 . 1 . 1 180 180 ASN HB3 H 1 2.76 0 . 1 . . . . . 180 N HB . 51783 1 1624 . 1 . 1 180 180 ASN C C 13 175.072 0 . 1 . . . . . 180 N C . 51783 1 1625 . 1 . 1 180 180 ASN CA C 13 51.989 0.034 . 1 . . . . . 180 N CA . 51783 1 1626 . 1 . 1 180 180 ASN CB C 13 37.622 0.067 . 1 . . . . . 180 N CB . 51783 1 1627 . 1 . 1 180 180 ASN N N 15 121.101 0.106 . 1 . . . . . 180 N N . 51783 1 1628 . 1 . 1 181 181 ILE H H 1 7.835 0.002 . 1 . . . . . 181 I H . 51783 1 1629 . 1 . 1 181 181 ILE HA H 1 4.051 0.008 . 1 . . . . . 181 I HA . 51783 1 1630 . 1 . 1 181 181 ILE HB H 1 1.713 0.005 . 1 . . . . . 181 I HB . 51783 1 1631 . 1 . 1 181 181 ILE HG12 H 1 1.144 0.006 . 1 . . . . . 181 I HG12 . 51783 1 1632 . 1 . 1 181 181 ILE HG13 H 1 1 0.005 . 1 . . . . . 181 I HG13 . 51783 1 1633 . 1 . 1 181 181 ILE HG21 H 1 0.713 0.005 . 1 . . . . . 181 I HG2 . 51783 1 1634 . 1 . 1 181 181 ILE HG22 H 1 0.713 0.005 . 1 . . . . . 181 I HG2 . 51783 1 1635 . 1 . 1 181 181 ILE HG23 H 1 0.713 0.005 . 1 . . . . . 181 I HG2 . 51783 1 1636 . 1 . 1 181 181 ILE HD11 H 1 0.759 0.005 . 1 . . . . . 181 I HD1 . 51783 1 1637 . 1 . 1 181 181 ILE HD12 H 1 0.759 0.005 . 1 . . . . . 181 I HD1 . 51783 1 1638 . 1 . 1 181 181 ILE HD13 H 1 0.759 0.005 . 1 . . . . . 181 I HD1 . 51783 1 1639 . 1 . 1 181 181 ILE C C 13 175.788 0 . 1 . . . . . 181 I C . 51783 1 1640 . 1 . 1 181 181 ILE CA C 13 60.477 0.082 . 1 . . . . . 181 I CA . 51783 1 1641 . 1 . 1 181 181 ILE CB C 13 37.355 0.094 . 1 . . . . . 181 I CB . 51783 1 1642 . 1 . 1 181 181 ILE CG1 C 13 25.55 0.065 . 1 . . . . . 181 I CG1 . 51783 1 1643 . 1 . 1 181 181 ILE CG2 C 13 16.156 0.056 . 1 . . . . . 181 I CG2 . 51783 1 1644 . 1 . 1 181 181 ILE CD1 C 13 11.94 0.059 . 1 . . . . . 181 I CD1 . 51783 1 1645 . 1 . 1 181 181 ILE N N 15 119.414 0.049 . 1 . . . . . 181 I N . 51783 1 1646 . 1 . 1 182 182 TYR H H 1 8.123 0.002 . 1 . . . . . 182 Y H . 51783 1 1647 . 1 . 1 182 182 TYR HA H 1 4.577 0 . 1 . . . . . 182 Y HA . 51783 1 1648 . 1 . 1 182 182 TYR HB2 H 1 3.084 0 . 2 . . . . . 182 Y HB2 . 51783 1 1649 . 1 . 1 182 182 TYR HB3 H 1 2.882 0 . 2 . . . . . 182 Y HB3 . 51783 1 1650 . 1 . 1 182 182 TYR HD1 H 1 7.084 0 . 1 . . . . . 182 Y HD . 51783 1 1651 . 1 . 1 182 182 TYR HD2 H 1 7.084 0 . 1 . . . . . 182 Y HD . 51783 1 1652 . 1 . 1 182 182 TYR HE1 H 1 7.086 0 . 1 . . . . . 182 Y HE . 51783 1 1653 . 1 . 1 182 182 TYR HE2 H 1 7.086 0 . 1 . . . . . 182 Y HE . 51783 1 1654 . 1 . 1 182 182 TYR C C 13 175.373 0 . 1 . . . . . 182 Y C . 51783 1 1655 . 1 . 1 182 182 TYR CA C 13 56.518 0.075 . 1 . . . . . 182 Y CA . 51783 1 1656 . 1 . 1 182 182 TYR CB C 13 37.382 0.05 . 1 . . . . . 182 Y CB . 51783 1 1657 . 1 . 1 182 182 TYR N N 15 122.964 0.057 . 1 . . . . . 182 Y N . 51783 1 1658 . 1 . 1 183 183 ASN H H 1 8.137 0.002 . 1 . . . . . 183 N H . 51783 1 1659 . 1 . 1 183 183 ASN HA H 1 4.658 0.012 . 1 . . . . . 183 N HA . 51783 1 1660 . 1 . 1 183 183 ASN HB2 H 1 2.769 0.018 . 1 . . . . . 183 N HB . 51783 1 1661 . 1 . 1 183 183 ASN HB3 H 1 2.769 0.018 . 1 . . . . . 183 N HB . 51783 1 1662 . 1 . 1 183 183 ASN C C 13 174.709 0 . 1 . . . . . 183 N C . 51783 1 1663 . 1 . 1 183 183 ASN CA C 13 51.925 0.024 . 1 . . . . . 183 N CA . 51783 1 1664 . 1 . 1 183 183 ASN CB C 13 37.96 0.056 . 1 . . . . . 183 N CB . 51783 1 1665 . 1 . 1 183 183 ASN N N 15 120.652 0.019 . 1 . . . . . 183 N N . 51783 1 1666 . 1 . 1 184 184 ASP H H 1 8.258 0.003 . 1 . . . . . 184 D H . 51783 1 1667 . 1 . 1 184 184 ASP HA H 1 4.549 0.001 . 1 . . . . . 184 D HA . 51783 1 1668 . 1 . 1 184 184 ASP HB2 H 1 2.65 0.002 . 1 . . . . . 184 D HB . 51783 1 1669 . 1 . 1 184 184 ASP HB3 H 1 2.65 0.002 . 1 . . . . . 184 D HB . 51783 1 1670 . 1 . 1 184 184 ASP C C 13 176.198 0 . 1 . . . . . 184 D C . 51783 1 1671 . 1 . 1 184 184 ASP CA C 13 53.277 0.054 . 1 . . . . . 184 D CA . 51783 1 1672 . 1 . 1 184 184 ASP CB C 13 39.776 0.038 . 1 . . . . . 184 D CB . 51783 1 1673 . 1 . 1 184 184 ASP N N 15 121.156 0.048 . 1 . . . . . 184 D N . 51783 1 1674 . 1 . 1 185 185 SER H H 1 8.119 0.003 . 1 . . . . . 185 S H . 51783 1 1675 . 1 . 1 185 185 SER HA H 1 4.401 0.005 . 1 . . . . . 185 S HA . 51783 1 1676 . 1 . 1 185 185 SER HB2 H 1 3.806 0.007 . 1 . . . . . 185 S HB . 51783 1 1677 . 1 . 1 185 185 SER HB3 H 1 3.806 0.007 . 1 . . . . . 185 S HB . 51783 1 1678 . 1 . 1 185 185 SER C C 13 173.966 0 . 1 . . . . . 185 S C . 51783 1 1679 . 1 . 1 185 185 SER CA C 13 57.21 0.1 . 1 . . . . . 185 S CA . 51783 1 1680 . 1 . 1 185 185 SER CB C 13 62.573 0.036 . 1 . . . . . 185 S CB . 51783 1 1681 . 1 . 1 185 185 SER N N 15 115.417 0.017 . 1 . . . . . 185 S N . 51783 1 1682 . 1 . 1 186 186 TYR H H 1 8.098 0.004 . 1 . . . . . 186 Y H . 51783 1 1683 . 1 . 1 186 186 TYR HA H 1 4.531 0.002 . 1 . . . . . 186 Y HA . 51783 1 1684 . 1 . 1 186 186 TYR HB2 H 1 2.984 0.006 . 1 . . . . . 186 Y HB . 51783 1 1685 . 1 . 1 186 186 TYR HB3 H 1 2.984 0.006 . 1 . . . . . 186 Y HB . 51783 1 1686 . 1 . 1 186 186 TYR HD1 H 1 7.084 0 . 1 . . . . . 186 Y HD . 51783 1 1687 . 1 . 1 186 186 TYR HD2 H 1 7.084 0 . 1 . . . . . 186 Y HD . 51783 1 1688 . 1 . 1 186 186 TYR HE1 H 1 6.805 0 . 1 . . . . . 186 Y HE . 51783 1 1689 . 1 . 1 186 186 TYR HE2 H 1 6.805 0 . 1 . . . . . 186 Y HE . 51783 1 1690 . 1 . 1 186 186 TYR C C 13 175.191 0 . 1 . . . . . 186 Y C . 51783 1 1691 . 1 . 1 186 186 TYR CA C 13 56.852 0.081 . 1 . . . . . 186 Y CA . 51783 1 1692 . 1 . 1 186 186 TYR CB C 13 37.434 0.034 . 1 . . . . . 186 Y CB . 51783 1 1693 . 1 . 1 186 186 TYR N N 15 122.631 0.014 . 1 . . . . . 186 Y N . 51783 1 1694 . 1 . 1 187 187 ILE H H 1 7.8 0.004 . 1 . . . . . 187 I H . 51783 1 1695 . 1 . 1 187 187 ILE HA H 1 4.065 0.001 . 1 . . . . . 187 I HA . 51783 1 1696 . 1 . 1 187 187 ILE HB H 1 1.726 0.005 . 1 . . . . . 187 I HB . 51783 1 1697 . 1 . 1 187 187 ILE HG12 H 1 1.393 0.004 . 1 . . . . . 187 I HG12 . 51783 1 1698 . 1 . 1 187 187 ILE HG13 H 1 1.09 0.003 . 1 . . . . . 187 I HG13 . 51783 1 1699 . 1 . 1 187 187 ILE HG21 H 1 0.828 0.008 . 1 . . . . . 187 I HG2 . 51783 1 1700 . 1 . 1 187 187 ILE HG22 H 1 0.828 0.008 . 1 . . . . . 187 I HG2 . 51783 1 1701 . 1 . 1 187 187 ILE HG23 H 1 0.828 0.008 . 1 . . . . . 187 I HG2 . 51783 1 1702 . 1 . 1 187 187 ILE HD11 H 1 0.816 0.002 . 1 . . . . . 187 I HD1 . 51783 1 1703 . 1 . 1 187 187 ILE HD12 H 1 0.816 0.002 . 1 . . . . . 187 I HD1 . 51783 1 1704 . 1 . 1 187 187 ILE HD13 H 1 0.816 0.002 . 1 . . . . . 187 I HD1 . 51783 1 1705 . 1 . 1 187 187 ILE C C 13 175.451 0 . 1 . . . . . 187 I C . 51783 1 1706 . 1 . 1 187 187 ILE CA C 13 59.374 0.05 . 1 . . . . . 187 I CA . 51783 1 1707 . 1 . 1 187 187 ILE CB C 13 37.836 0.086 . 1 . . . . . 187 I CB . 51783 1 1708 . 1 . 1 187 187 ILE CG1 C 13 25.987 0.094 . 1 . . . . . 187 I CG1 . 51783 1 1709 . 1 . 1 187 187 ILE CG2 C 13 16.163 0.055 . 1 . . . . . 187 I CG2 . 51783 1 1710 . 1 . 1 187 187 ILE CD1 C 13 11.613 0.039 . 1 . . . . . 187 I CD1 . 51783 1 1711 . 1 . 1 187 187 ILE N N 15 124.043 0.026 . 1 . . . . . 187 I N . 51783 1 1712 . 1 . 1 188 188 GLU H H 1 8.335 0.001 . 1 . . . . . 188 E H . 51783 1 1713 . 1 . 1 188 188 GLU HA H 1 4.171 0 . 1 . . . . . 188 E HA . 51783 1 1714 . 1 . 1 188 188 GLU HB2 H 1 1.963 0.002 . 1 . . . . . 188 E HB . 51783 1 1715 . 1 . 1 188 188 GLU HB3 H 1 1.963 0.002 . 1 . . . . . 188 E HB . 51783 1 1716 . 1 . 1 188 188 GLU HG2 H 1 2.263 0 . 1 . . . . . 188 E HG . 51783 1 1717 . 1 . 1 188 188 GLU HG3 H 1 2.263 0 . 1 . . . . . 188 E HG . 51783 1 1718 . 1 . 1 188 188 GLU C C 13 176.154 0 . 1 . . . . . 188 E C . 51783 1 1719 . 1 . 1 188 188 GLU CA C 13 55.325 0.039 . 1 . . . . . 188 E CA . 51783 1 1720 . 1 . 1 188 188 GLU CB C 13 28.953 0.056 . 1 . . . . . 188 E CB . 51783 1 1721 . 1 . 1 188 188 GLU CG C 13 35.026 0 . 1 . . . . . 188 E CG . 51783 1 1722 . 1 . 1 188 188 GLU N N 15 125.584 0.014 . 1 . . . . . 188 E N . 51783 1 1723 . 1 . 1 189 189 GLN H H 1 8.323 0.001 . 1 . . . . . 189 Q H . 51783 1 1724 . 1 . 1 189 189 GLN HA H 1 4.321 0.004 . 1 . . . . . 189 Q HA . 51783 1 1725 . 1 . 1 189 189 GLN HB2 H 1 2.007 0.006 . 1 . . . . . 189 Q HB . 51783 1 1726 . 1 . 1 189 189 GLN HB3 H 1 2.007 0.006 . 1 . . . . . 189 Q HB . 51783 1 1727 . 1 . 1 189 189 GLN HG2 H 1 2.341 0 . 1 . . . . . 189 Q HG . 51783 1 1728 . 1 . 1 189 189 GLN HG3 H 1 2.341 0 . 1 . . . . . 189 Q HG . 51783 1 1729 . 1 . 1 189 189 GLN C C 13 175.767 0 . 1 . . . . . 189 Q C . 51783 1 1730 . 1 . 1 189 189 GLN CA C 13 54.38 0.05 . 1 . . . . . 189 Q CA . 51783 1 1731 . 1 . 1 189 189 GLN CB C 13 28.587 0.012 . 1 . . . . . 189 Q CB . 51783 1 1732 . 1 . 1 189 189 GLN CG C 13 32.49 0 . 1 . . . . . 189 Q CG . 51783 1 1733 . 1 . 1 189 189 GLN N N 15 122.19 0.026 . 1 . . . . . 189 Q N . 51783 1 1734 . 1 . 1 190 190 GLU H H 1 8.489 0.001 . 1 . . . . . 190 E H . 51783 1 1735 . 1 . 1 190 190 GLU HA H 1 4.252 0.009 . 1 . . . . . 190 E HA . 51783 1 1736 . 1 . 1 190 190 GLU HB2 H 1 2.027 0.004 . 2 . . . . . 190 E HB2 . 51783 1 1737 . 1 . 1 190 190 GLU HB3 H 1 1.946 0.007 . 2 . . . . . 190 E HB3 . 51783 1 1738 . 1 . 1 190 190 GLU HG2 H 1 2.266 0 . 1 . . . . . 190 E HG . 51783 1 1739 . 1 . 1 190 190 GLU HG3 H 1 2.266 0 . 1 . . . . . 190 E HG . 51783 1 1740 . 1 . 1 190 190 GLU C C 13 176.017 0 . 1 . . . . . 190 E C . 51783 1 1741 . 1 . 1 190 190 GLU CA C 13 55.254 0.101 . 1 . . . . . 190 E CA . 51783 1 1742 . 1 . 1 190 190 GLU CB C 13 29.064 0.102 . 1 . . . . . 190 E CB . 51783 1 1743 . 1 . 1 190 190 GLU CG C 13 35.047 0 . 1 . . . . . 190 E CG . 51783 1 1744 . 1 . 1 190 190 GLU N N 15 123.118 0.015 . 1 . . . . . 190 E N . 51783 1 1745 . 1 . 1 191 191 ALA H H 1 8.288 0.002 . 1 . . . . . 191 A H . 51783 1 1746 . 1 . 1 191 191 ALA HA H 1 4.307 0.004 . 1 . . . . . 191 A HA . 51783 1 1747 . 1 . 1 191 191 ALA HB1 H 1 1.375 0.003 . 1 . . . . . 191 A HB . 51783 1 1748 . 1 . 1 191 191 ALA HB2 H 1 1.375 0.003 . 1 . . . . . 191 A HB . 51783 1 1749 . 1 . 1 191 191 ALA HB3 H 1 1.375 0.003 . 1 . . . . . 191 A HB . 51783 1 1750 . 1 . 1 191 191 ALA C C 13 177.361 0 . 1 . . . . . 191 A C . 51783 1 1751 . 1 . 1 191 191 ALA CA C 13 51.047 0.063 . 1 . . . . . 191 A CA . 51783 1 1752 . 1 . 1 191 191 ALA CB C 13 18.296 0.036 . 1 . . . . . 191 A CB . 51783 1 1753 . 1 . 1 191 191 ALA N N 15 125.467 0.018 . 1 . . . . . 191 A N . 51783 1 1754 . 1 . 1 192 192 GLU H H 1 8.329 0.001 . 1 . . . . . 192 E H . 51783 1 1755 . 1 . 1 192 192 GLU HA H 1 4.26 0.003 . 1 . . . . . 192 E HA . 51783 1 1756 . 1 . 1 192 192 GLU C C 13 176.099 0 . 1 . . . . . 192 E C . 51783 1 1757 . 1 . 1 192 192 GLU CA C 13 55.078 0.073 . 1 . . . . . 192 E CA . 51783 1 1758 . 1 . 1 192 192 GLU CB C 13 29.253 0.038 . 1 . . . . . 192 E CB . 51783 1 1759 . 1 . 1 192 192 GLU CG C 13 35.032 0 . 1 . . . . . 192 E CG . 51783 1 1760 . 1 . 1 192 192 GLU N N 15 121.061 0.011 . 1 . . . . . 192 E N . 51783 1 1761 . 1 . 1 193 193 ILE H H 1 8.271 0.002 . 1 . . . . . 193 I H . 51783 1 1762 . 1 . 1 193 193 ILE HA H 1 4.154 0.002 . 1 . . . . . 193 I HA . 51783 1 1763 . 1 . 1 193 193 ILE HB H 1 1.834 0.011 . 1 . . . . . 193 I HB . 51783 1 1764 . 1 . 1 193 193 ILE HG12 H 1 1.174 0.009 . 1 . . . . . 193 I HG12 . 51783 1 1765 . 1 . 1 193 193 ILE HG13 H 1 1.484 0.006 . 1 . . . . . 193 I HG13 . 51783 1 1766 . 1 . 1 193 193 ILE HG21 H 1 0.853 0.005 . 1 . . . . . 193 I HG2 . 51783 1 1767 . 1 . 1 193 193 ILE HG22 H 1 0.853 0.005 . 1 . . . . . 193 I HG2 . 51783 1 1768 . 1 . 1 193 193 ILE HG23 H 1 0.853 0.005 . 1 . . . . . 193 I HG2 . 51783 1 1769 . 1 . 1 193 193 ILE HD11 H 1 0.85 0.003 . 1 . . . . . 193 I HD1 . 51783 1 1770 . 1 . 1 193 193 ILE HD12 H 1 0.85 0.003 . 1 . . . . . 193 I HD1 . 51783 1 1771 . 1 . 1 193 193 ILE HD13 H 1 0.85 0.003 . 1 . . . . . 193 I HD1 . 51783 1 1772 . 1 . 1 193 193 ILE C C 13 175.867 0 . 1 . . . . . 193 I C . 51783 1 1773 . 1 . 1 193 193 ILE CA C 13 59.543 0.077 . 1 . . . . . 193 I CA . 51783 1 1774 . 1 . 1 193 193 ILE CB C 13 37.3 0.089 . 1 . . . . . 193 I CB . 51783 1 1775 . 1 . 1 193 193 ILE CG1 C 13 25.988 0.066 . 1 . . . . . 193 I CG1 . 51783 1 1776 . 1 . 1 193 193 ILE CG2 C 13 16.215 0.062 . 1 . . . . . 193 I CG2 . 51783 1 1777 . 1 . 1 193 193 ILE CD1 C 13 11.509 0.001 . 1 . . . . . 193 I CD1 . 51783 1 1778 . 1 . 1 193 193 ILE N N 15 123.635 0.019 . 1 . . . . . 193 I N . 51783 1 1779 . 1 . 1 194 194 ILE H H 1 8.315 0.001 . 1 . . . . . 194 I H . 51783 1 1780 . 1 . 1 194 194 ILE HA H 1 4.202 0.004 . 1 . . . . . 194 I HA . 51783 1 1781 . 1 . 1 194 194 ILE HB H 1 1.832 0.005 . 1 . . . . . 194 I HB . 51783 1 1782 . 1 . 1 194 194 ILE HG12 H 1 1.454 0.009 . 1 . . . . . 194 I HG12 . 51783 1 1783 . 1 . 1 194 194 ILE HG13 H 1 1.171 0.006 . 1 . . . . . 194 I HG13 . 51783 1 1784 . 1 . 1 194 194 ILE HG21 H 1 0.886 0.007 . 1 . . . . . 194 I HG2 . 51783 1 1785 . 1 . 1 194 194 ILE HG22 H 1 0.886 0.007 . 1 . . . . . 194 I HG2 . 51783 1 1786 . 1 . 1 194 194 ILE HG23 H 1 0.886 0.007 . 1 . . . . . 194 I HG2 . 51783 1 1787 . 1 . 1 194 194 ILE HD11 H 1 0.849 0.013 . 1 . . . . . 194 I HD1 . 51783 1 1788 . 1 . 1 194 194 ILE HD12 H 1 0.849 0.013 . 1 . . . . . 194 I HD1 . 51783 1 1789 . 1 . 1 194 194 ILE HD13 H 1 0.849 0.013 . 1 . . . . . 194 I HD1 . 51783 1 1790 . 1 . 1 194 194 ILE C C 13 176.067 0 . 1 . . . . . 194 I C . 51783 1 1791 . 1 . 1 194 194 ILE CA C 13 59.376 0.074 . 1 . . . . . 194 I CA . 51783 1 1792 . 1 . 1 194 194 ILE CB C 13 37.397 0.069 . 1 . . . . . 194 I CB . 51783 1 1793 . 1 . 1 194 194 ILE CG1 C 13 25.988 0.073 . 1 . . . . . 194 I CG1 . 51783 1 1794 . 1 . 1 194 194 ILE CG2 C 13 16.274 0.049 . 1 . . . . . 194 I CG2 . 51783 1 1795 . 1 . 1 194 194 ILE CD1 C 13 11.415 0.086 . 1 . . . . . 194 I CD1 . 51783 1 1796 . 1 . 1 194 194 ILE N N 15 126.987 0.017 . 1 . . . . . 194 I N . 51783 1 1797 . 1 . 1 195 195 GLU H H 1 8.518 0.001 . 1 . . . . . 195 E H . 51783 1 1798 . 1 . 1 195 195 GLU HA H 1 4.307 0.002 . 1 . . . . . 195 E HA . 51783 1 1799 . 1 . 1 195 195 GLU HB2 H 1 2.021 0 . 2 . . . . . 195 E HB2 . 51783 1 1800 . 1 . 1 195 195 GLU HB3 H 1 1.929 0.023 . 2 . . . . . 195 E HB3 . 51783 1 1801 . 1 . 1 195 195 GLU HG2 H 1 2.225 0 . 1 . . . . . 195 E HG . 51783 1 1802 . 1 . 1 195 195 GLU HG3 H 1 2.225 0 . 1 . . . . . 195 E HG . 51783 1 1803 . 1 . 1 195 195 GLU C C 13 175.952 0 . 1 . . . . . 195 E C . 51783 1 1804 . 1 . 1 195 195 GLU CA C 13 55.143 0.055 . 1 . . . . . 195 E CA . 51783 1 1805 . 1 . 1 195 195 GLU CB C 13 29.344 0.032 . 1 . . . . . 195 E CB . 51783 1 1806 . 1 . 1 195 195 GLU CG C 13 35.045 0 . 1 . . . . . 195 E CG . 51783 1 1807 . 1 . 1 195 195 GLU N N 15 126.215 0.02 . 1 . . . . . 195 E N . 51783 1 1808 . 1 . 1 196 196 ASP H H 1 8.386 0.001 . 1 . . . . . 196 D H . 51783 1 1809 . 1 . 1 196 196 ASP HA H 1 4.571 0.007 . 1 . . . . . 196 D HA . 51783 1 1810 . 1 . 1 196 196 ASP HB2 H 1 2.642 0.007 . 1 . . . . . 196 D HB . 51783 1 1811 . 1 . 1 196 196 ASP HB3 H 1 2.642 0.007 . 1 . . . . . 196 D HB . 51783 1 1812 . 1 . 1 196 196 ASP C C 13 175.969 0 . 1 . . . . . 196 D C . 51783 1 1813 . 1 . 1 196 196 ASP CA C 13 53.199 0.064 . 1 . . . . . 196 D CA . 51783 1 1814 . 1 . 1 196 196 ASP CB C 13 39.902 0.029 . 1 . . . . . 196 D CB . 51783 1 1815 . 1 . 1 196 196 ASP N N 15 122.145 0.014 . 1 . . . . . 196 D N . 51783 1 1816 . 1 . 1 197 197 GLN H H 1 8.286 0.002 . 1 . . . . . 197 Q H . 51783 1 1817 . 1 . 1 197 197 GLN HA H 1 4.333 0.004 . 1 . . . . . 197 Q HA . 51783 1 1818 . 1 . 1 197 197 GLN HB2 H 1 2.143 0.004 . 2 . . . . . 197 Q HB2 . 51783 1 1819 . 1 . 1 197 197 GLN HB3 H 1 1.953 0.001 . 2 . . . . . 197 Q HB3 . 51783 1 1820 . 1 . 1 197 197 GLN HG2 H 1 2.354 0 . 1 . . . . . 197 Q HG . 51783 1 1821 . 1 . 1 197 197 GLN HG3 H 1 2.354 0 . 1 . . . . . 197 Q HG . 51783 1 1822 . 1 . 1 197 197 GLN C C 13 174.706 0 . 1 . . . . . 197 Q C . 51783 1 1823 . 1 . 1 197 197 GLN CA C 13 54.369 0.046 . 1 . . . . . 197 Q CA . 51783 1 1824 . 1 . 1 197 197 GLN CB C 13 28.465 0.016 . 1 . . . . . 197 Q CB . 51783 1 1825 . 1 . 1 197 197 GLN CG C 13 32.54 0 . 1 . . . . . 197 Q CG . 51783 1 1826 . 1 . 1 197 197 GLN N N 15 121.186 0.032 . 1 . . . . . 197 Q N . 51783 1 1827 . 1 . 1 198 198 ALA H H 1 7.994 0 . 1 . . . . . 198 A H . 51783 1 1828 . 1 . 1 198 198 ALA HA H 1 4.117 0.001 . 1 . . . . . 198 A HA . 51783 1 1829 . 1 . 1 198 198 ALA HB1 H 1 1.332 0.003 . 1 . . . . . 198 A HB . 51783 1 1830 . 1 . 1 198 198 ALA HB2 H 1 1.332 0.003 . 1 . . . . . 198 A HB . 51783 1 1831 . 1 . 1 198 198 ALA HB3 H 1 1.332 0.003 . 1 . . . . . 198 A HB . 51783 1 1832 . 1 . 1 198 198 ALA CA C 13 52.672 0.004 . 1 . . . . . 198 A CA . 51783 1 1833 . 1 . 1 198 198 ALA CB C 13 18.871 0.03 . 1 . . . . . 198 A CB . 51783 1 1834 . 1 . 1 198 198 ALA N N 15 131.588 0.003 . 1 . . . . . 198 A N . 51783 1 stop_ save_