data_50355 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50355 _Entry.Title ; 1H, 13C, 15N backbone and ILMVA methyl group assignment of the N-terminal RecA domain of the DEAD-box RNA helicase DbpA from E.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-25 _Entry.Accession_date 2020-06-25 _Entry.Last_release_date 2020-06-25 _Entry.Original_release_date 2020-06-25 _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 'Jan Philip' Wurm . . . 0000-0003-0985-7273 50355 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universitaet Regensburg' . 50355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 671 50355 '15N chemical shifts' 189 50355 '1H chemical shifts' 994 50355 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-27 . original BMRB . 50355 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50356 'C-terminal RecA domain + RBD of DbpA' 50355 BMRB 50357 'full length DbpA' 50355 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50355 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33277687 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Assignment of the Ile, Leu, Val, Met and Ala methyl group resonances of the DEAD-box RNA helicase DbpA from E. coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 121 _Citation.Page_last 128 _Citation.Year 2021 _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 'Jan Philip' Wurm . . . . 50355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50355 _Assembly.ID 1 _Assembly.Name 'N-terminal RecA domain of DbpA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'N-terminal RecA domain' 1 $entity_1 . . yes native no no . . . 50355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50355 _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 ; MTAFSTLNVLPPAQLTNLNE LGYLTMTPVQAAALPAILAG KDVRVQAKTGSGKTAAFGLG LLQQIDASLFQTQALVLCPT RELADQVAGELRRLARFLPN TKILTLCGGQPFGMQRDSLQ HAPHIIVATPGRLLDHLQKG TVSLDALNTLVMDEADRMLD MGFSDAIDDVIRFAPASRQT LLFSATWPEAIAAISGRVQR DPLAIEIDSTDALP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-214 N-terminal RecA domain of E.coli DbpA' _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 214 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA helicase involved in ribosome biogenesis' 50355 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 3 MET . 50355 1 2 4 THR . 50355 1 3 5 ALA . 50355 1 4 6 PHE . 50355 1 5 7 SER . 50355 1 6 8 THR . 50355 1 7 9 LEU . 50355 1 8 10 ASN . 50355 1 9 11 VAL . 50355 1 10 12 LEU . 50355 1 11 13 PRO . 50355 1 12 14 PRO . 50355 1 13 15 ALA . 50355 1 14 16 GLN . 50355 1 15 17 LEU . 50355 1 16 18 THR . 50355 1 17 19 ASN . 50355 1 18 20 LEU . 50355 1 19 21 ASN . 50355 1 20 22 GLU . 50355 1 21 23 LEU . 50355 1 22 24 GLY . 50355 1 23 25 TYR . 50355 1 24 26 LEU . 50355 1 25 27 THR . 50355 1 26 28 MET . 50355 1 27 29 THR . 50355 1 28 30 PRO . 50355 1 29 31 VAL . 50355 1 30 32 GLN . 50355 1 31 33 ALA . 50355 1 32 34 ALA . 50355 1 33 35 ALA . 50355 1 34 36 LEU . 50355 1 35 37 PRO . 50355 1 36 38 ALA . 50355 1 37 39 ILE . 50355 1 38 40 LEU . 50355 1 39 41 ALA . 50355 1 40 42 GLY . 50355 1 41 43 LYS . 50355 1 42 44 ASP . 50355 1 43 45 VAL . 50355 1 44 46 ARG . 50355 1 45 47 VAL . 50355 1 46 48 GLN . 50355 1 47 49 ALA . 50355 1 48 50 LYS . 50355 1 49 51 THR . 50355 1 50 52 GLY . 50355 1 51 53 SER . 50355 1 52 54 GLY . 50355 1 53 55 LYS . 50355 1 54 56 THR . 50355 1 55 57 ALA . 50355 1 56 58 ALA . 50355 1 57 59 PHE . 50355 1 58 60 GLY . 50355 1 59 61 LEU . 50355 1 60 62 GLY . 50355 1 61 63 LEU . 50355 1 62 64 LEU . 50355 1 63 65 GLN . 50355 1 64 66 GLN . 50355 1 65 67 ILE . 50355 1 66 68 ASP . 50355 1 67 69 ALA . 50355 1 68 70 SER . 50355 1 69 71 LEU . 50355 1 70 72 PHE . 50355 1 71 73 GLN . 50355 1 72 74 THR . 50355 1 73 75 GLN . 50355 1 74 76 ALA . 50355 1 75 77 LEU . 50355 1 76 78 VAL . 50355 1 77 79 LEU . 50355 1 78 80 CYS . 50355 1 79 81 PRO . 50355 1 80 82 THR . 50355 1 81 83 ARG . 50355 1 82 84 GLU . 50355 1 83 85 LEU . 50355 1 84 86 ALA . 50355 1 85 87 ASP . 50355 1 86 88 GLN . 50355 1 87 89 VAL . 50355 1 88 90 ALA . 50355 1 89 91 GLY . 50355 1 90 92 GLU . 50355 1 91 93 LEU . 50355 1 92 94 ARG . 50355 1 93 95 ARG . 50355 1 94 96 LEU . 50355 1 95 97 ALA . 50355 1 96 98 ARG . 50355 1 97 99 PHE . 50355 1 98 100 LEU . 50355 1 99 101 PRO . 50355 1 100 102 ASN . 50355 1 101 103 THR . 50355 1 102 104 LYS . 50355 1 103 105 ILE . 50355 1 104 106 LEU . 50355 1 105 107 THR . 50355 1 106 108 LEU . 50355 1 107 109 CYS . 50355 1 108 110 GLY . 50355 1 109 111 GLY . 50355 1 110 112 GLN . 50355 1 111 113 PRO . 50355 1 112 114 PHE . 50355 1 113 115 GLY . 50355 1 114 116 MET . 50355 1 115 117 GLN . 50355 1 116 118 ARG . 50355 1 117 119 ASP . 50355 1 118 120 SER . 50355 1 119 121 LEU . 50355 1 120 122 GLN . 50355 1 121 123 HIS . 50355 1 122 124 ALA . 50355 1 123 125 PRO . 50355 1 124 126 HIS . 50355 1 125 127 ILE . 50355 1 126 128 ILE . 50355 1 127 129 VAL . 50355 1 128 130 ALA . 50355 1 129 131 THR . 50355 1 130 132 PRO . 50355 1 131 133 GLY . 50355 1 132 134 ARG . 50355 1 133 135 LEU . 50355 1 134 136 LEU . 50355 1 135 137 ASP . 50355 1 136 138 HIS . 50355 1 137 139 LEU . 50355 1 138 140 GLN . 50355 1 139 141 LYS . 50355 1 140 142 GLY . 50355 1 141 143 THR . 50355 1 142 144 VAL . 50355 1 143 145 SER . 50355 1 144 146 LEU . 50355 1 145 147 ASP . 50355 1 146 148 ALA . 50355 1 147 149 LEU . 50355 1 148 150 ASN . 50355 1 149 151 THR . 50355 1 150 152 LEU . 50355 1 151 153 VAL . 50355 1 152 154 MET . 50355 1 153 155 ASP . 50355 1 154 156 GLU . 50355 1 155 157 ALA . 50355 1 156 158 ASP . 50355 1 157 159 ARG . 50355 1 158 160 MET . 50355 1 159 161 LEU . 50355 1 160 162 ASP . 50355 1 161 163 MET . 50355 1 162 164 GLY . 50355 1 163 165 PHE . 50355 1 164 166 SER . 50355 1 165 167 ASP . 50355 1 166 168 ALA . 50355 1 167 169 ILE . 50355 1 168 170 ASP . 50355 1 169 171 ASP . 50355 1 170 172 VAL . 50355 1 171 173 ILE . 50355 1 172 174 ARG . 50355 1 173 175 PHE . 50355 1 174 176 ALA . 50355 1 175 177 PRO . 50355 1 176 178 ALA . 50355 1 177 179 SER . 50355 1 178 180 ARG . 50355 1 179 181 GLN . 50355 1 180 182 THR . 50355 1 181 183 LEU . 50355 1 182 184 LEU . 50355 1 183 185 PHE . 50355 1 184 186 SER . 50355 1 185 187 ALA . 50355 1 186 188 THR . 50355 1 187 189 TRP . 50355 1 188 190 PRO . 50355 1 189 191 GLU . 50355 1 190 192 ALA . 50355 1 191 193 ILE . 50355 1 192 194 ALA . 50355 1 193 195 ALA . 50355 1 194 196 ILE . 50355 1 195 197 SER . 50355 1 196 198 GLY . 50355 1 197 199 ARG . 50355 1 198 200 VAL . 50355 1 199 201 GLN . 50355 1 200 202 ARG . 50355 1 201 203 ASP . 50355 1 202 204 PRO . 50355 1 203 205 LEU . 50355 1 204 206 ALA . 50355 1 205 207 ILE . 50355 1 206 208 GLU . 50355 1 207 209 ILE . 50355 1 208 210 ASP . 50355 1 209 211 SER . 50355 1 210 212 THR . 50355 1 211 213 ASP . 50355 1 212 214 ALA . 50355 1 213 215 LEU . 50355 1 214 216 PRO . 50355 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 50355 1 . THR 2 2 50355 1 . ALA 3 3 50355 1 . PHE 4 4 50355 1 . SER 5 5 50355 1 . THR 6 6 50355 1 . LEU 7 7 50355 1 . ASN 8 8 50355 1 . VAL 9 9 50355 1 . LEU 10 10 50355 1 . PRO 11 11 50355 1 . PRO 12 12 50355 1 . ALA 13 13 50355 1 . GLN 14 14 50355 1 . LEU 15 15 50355 1 . THR 16 16 50355 1 . ASN 17 17 50355 1 . LEU 18 18 50355 1 . ASN 19 19 50355 1 . GLU 20 20 50355 1 . LEU 21 21 50355 1 . GLY 22 22 50355 1 . TYR 23 23 50355 1 . LEU 24 24 50355 1 . THR 25 25 50355 1 . MET 26 26 50355 1 . THR 27 27 50355 1 . PRO 28 28 50355 1 . VAL 29 29 50355 1 . GLN 30 30 50355 1 . ALA 31 31 50355 1 . ALA 32 32 50355 1 . ALA 33 33 50355 1 . LEU 34 34 50355 1 . PRO 35 35 50355 1 . ALA 36 36 50355 1 . ILE 37 37 50355 1 . LEU 38 38 50355 1 . ALA 39 39 50355 1 . GLY 40 40 50355 1 . LYS 41 41 50355 1 . ASP 42 42 50355 1 . VAL 43 43 50355 1 . ARG 44 44 50355 1 . VAL 45 45 50355 1 . GLN 46 46 50355 1 . ALA 47 47 50355 1 . LYS 48 48 50355 1 . THR 49 49 50355 1 . GLY 50 50 50355 1 . SER 51 51 50355 1 . GLY 52 52 50355 1 . LYS 53 53 50355 1 . THR 54 54 50355 1 . ALA 55 55 50355 1 . ALA 56 56 50355 1 . PHE 57 57 50355 1 . GLY 58 58 50355 1 . LEU 59 59 50355 1 . GLY 60 60 50355 1 . LEU 61 61 50355 1 . LEU 62 62 50355 1 . GLN 63 63 50355 1 . GLN 64 64 50355 1 . ILE 65 65 50355 1 . ASP 66 66 50355 1 . ALA 67 67 50355 1 . SER 68 68 50355 1 . LEU 69 69 50355 1 . PHE 70 70 50355 1 . GLN 71 71 50355 1 . THR 72 72 50355 1 . GLN 73 73 50355 1 . ALA 74 74 50355 1 . LEU 75 75 50355 1 . VAL 76 76 50355 1 . LEU 77 77 50355 1 . CYS 78 78 50355 1 . PRO 79 79 50355 1 . THR 80 80 50355 1 . ARG 81 81 50355 1 . GLU 82 82 50355 1 . LEU 83 83 50355 1 . ALA 84 84 50355 1 . ASP 85 85 50355 1 . GLN 86 86 50355 1 . VAL 87 87 50355 1 . ALA 88 88 50355 1 . GLY 89 89 50355 1 . GLU 90 90 50355 1 . LEU 91 91 50355 1 . ARG 92 92 50355 1 . ARG 93 93 50355 1 . LEU 94 94 50355 1 . ALA 95 95 50355 1 . ARG 96 96 50355 1 . PHE 97 97 50355 1 . LEU 98 98 50355 1 . PRO 99 99 50355 1 . ASN 100 100 50355 1 . THR 101 101 50355 1 . LYS 102 102 50355 1 . ILE 103 103 50355 1 . LEU 104 104 50355 1 . THR 105 105 50355 1 . LEU 106 106 50355 1 . CYS 107 107 50355 1 . GLY 108 108 50355 1 . GLY 109 109 50355 1 . GLN 110 110 50355 1 . PRO 111 111 50355 1 . PHE 112 112 50355 1 . GLY 113 113 50355 1 . MET 114 114 50355 1 . GLN 115 115 50355 1 . ARG 116 116 50355 1 . ASP 117 117 50355 1 . SER 118 118 50355 1 . LEU 119 119 50355 1 . GLN 120 120 50355 1 . HIS 121 121 50355 1 . ALA 122 122 50355 1 . PRO 123 123 50355 1 . HIS 124 124 50355 1 . ILE 125 125 50355 1 . ILE 126 126 50355 1 . VAL 127 127 50355 1 . ALA 128 128 50355 1 . THR 129 129 50355 1 . PRO 130 130 50355 1 . GLY 131 131 50355 1 . ARG 132 132 50355 1 . LEU 133 133 50355 1 . LEU 134 134 50355 1 . ASP 135 135 50355 1 . HIS 136 136 50355 1 . LEU 137 137 50355 1 . GLN 138 138 50355 1 . LYS 139 139 50355 1 . GLY 140 140 50355 1 . THR 141 141 50355 1 . VAL 142 142 50355 1 . SER 143 143 50355 1 . LEU 144 144 50355 1 . ASP 145 145 50355 1 . ALA 146 146 50355 1 . LEU 147 147 50355 1 . ASN 148 148 50355 1 . THR 149 149 50355 1 . LEU 150 150 50355 1 . VAL 151 151 50355 1 . MET 152 152 50355 1 . ASP 153 153 50355 1 . GLU 154 154 50355 1 . ALA 155 155 50355 1 . ASP 156 156 50355 1 . ARG 157 157 50355 1 . MET 158 158 50355 1 . LEU 159 159 50355 1 . ASP 160 160 50355 1 . MET 161 161 50355 1 . GLY 162 162 50355 1 . PHE 163 163 50355 1 . SER 164 164 50355 1 . ASP 165 165 50355 1 . ALA 166 166 50355 1 . ILE 167 167 50355 1 . ASP 168 168 50355 1 . ASP 169 169 50355 1 . VAL 170 170 50355 1 . ILE 171 171 50355 1 . ARG 172 172 50355 1 . PHE 173 173 50355 1 . ALA 174 174 50355 1 . PRO 175 175 50355 1 . ALA 176 176 50355 1 . SER 177 177 50355 1 . ARG 178 178 50355 1 . GLN 179 179 50355 1 . THR 180 180 50355 1 . LEU 181 181 50355 1 . LEU 182 182 50355 1 . PHE 183 183 50355 1 . SER 184 184 50355 1 . ALA 185 185 50355 1 . THR 186 186 50355 1 . TRP 187 187 50355 1 . PRO 188 188 50355 1 . GLU 189 189 50355 1 . ALA 190 190 50355 1 . ILE 191 191 50355 1 . ALA 192 192 50355 1 . ALA 193 193 50355 1 . ILE 194 194 50355 1 . SER 195 195 50355 1 . GLY 196 196 50355 1 . ARG 197 197 50355 1 . VAL 198 198 50355 1 . GLN 199 199 50355 1 . ARG 200 200 50355 1 . ASP 201 201 50355 1 . PRO 202 202 50355 1 . LEU 203 203 50355 1 . ALA 204 204 50355 1 . ILE 205 205 50355 1 . GLU 206 206 50355 1 . ILE 207 207 50355 1 . ASP 208 208 50355 1 . SER 209 209 50355 1 . THR 210 210 50355 1 . ASP 211 211 50355 1 . ALA 212 212 50355 1 . LEU 213 213 50355 1 . PRO 214 214 50355 1 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 50355 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . DbpA . 50355 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 50355 _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 BL21(DE3) . . plasmid . . pETM11 . . . 50355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50355 _Sample.ID 1 _Sample.Name 'N-terminal RecA domain (U-15N,13C)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 'N-terminal RecA domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 50355 1 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 50355 1 3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 50355 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50355 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50355 _Sample.ID 2 _Sample.Name 'N-terminal RecA domain (U-2H,15N ILMVA-methyl 1H13C)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 'N-terminal RecA domain' '[U-15N; U-2H; 95% 1H13CD-Ile,Leu; 95% 1H13CG-Val, 1H13CB-Ala, 1H13CE-Met]' . . 1 $entity_1 . . 300 . . uM . . . . 50355 2 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 50355 2 3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 50355 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50355 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50355 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'standard conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 140 . mM 50355 1 pH 7.3 . pH 50355 1 pressure 1 . atm 50355 1 temperature 298 . K 50355 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50355 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50355 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50355 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50355 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 50355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 50355 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 5 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 9 '3D 1H-13C-1H NOESY methyl groups' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 10 '3D 13C-13C-1H NOESY methyl groups' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 1 13 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50355 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 50355 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 external indirect 0.251449503 . . . . . 50355 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50355 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132911 . . . . . 50355 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 50355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'N-terminal RecA domain' _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' . . . 50355 1 2 '3D HNCACB' . . . 50355 1 3 '3D HNCO' . . . 50355 1 4 '3D HN(CA)CO' . . . 50355 1 5 '3D C(CO)NH' . . . 50355 1 6 '3D H(CCO)NH' . . . 50355 1 7 '2D 1H-13C HSQC aliphatic' . . . 50355 1 8 '3D CBCA(CO)NH' . . . 50355 1 9 '3D 1H-13C-1H NOESY methyl groups' . . . 50355 1 10 '3D 13C-13C-1H NOESY methyl groups' . . . 50355 1 11 '3D HBHA(CO)NH' . . . 50355 1 12 '3D HCCH-TOCSY' . . . 50355 1 13 '3D HCCH-COSY' . . . 50355 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 1 $software_1 . . 50355 1 2 $software_2 . . 50355 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.277 0.020 . 1 . . . . . 3 MET H . 50355 1 2 . 1 . 1 1 1 MET HA H 1 4.445 0.020 . 1 . . . . . 3 MET HA . 50355 1 3 . 1 . 1 1 1 MET HB2 H 1 1.911 0.020 . 2 . . . . . 3 MET HB2 . 50355 1 4 . 1 . 1 1 1 MET HB3 H 1 1.957 0.020 . 2 . . . . . 3 MET HB3 . 50355 1 5 . 1 . 1 1 1 MET HG2 H 1 2.434 0.020 . 2 . . . . . 3 MET HG2 . 50355 1 6 . 1 . 1 1 1 MET HG3 H 1 2.536 0.020 . 2 . . . . . 3 MET HG3 . 50355 1 7 . 1 . 1 1 1 MET C C 13 176.114 0.3 . 1 . . . . . 3 MET C . 50355 1 8 . 1 . 1 1 1 MET CA C 13 55.251 0.3 . 1 . . . . . 3 MET CA . 50355 1 9 . 1 . 1 1 1 MET CB C 13 32.519 0.3 . 1 . . . . . 3 MET CB . 50355 1 10 . 1 . 1 1 1 MET CG C 13 31.946 0.3 . 1 . . . . . 3 MET CG . 50355 1 11 . 1 . 1 1 1 MET N N 15 120.461 0.3 . 1 . . . . . 3 MET N . 50355 1 12 . 1 . 1 2 2 THR H H 1 8.410 0.020 . 1 . . . . . 4 THR H . 50355 1 13 . 1 . 1 2 2 THR HA H 1 4.217 0.020 . 1 . . . . . 4 THR HA . 50355 1 14 . 1 . 1 2 2 THR C C 13 173.877 0.3 . 1 . . . . . 4 THR C . 50355 1 15 . 1 . 1 2 2 THR CA C 13 61.417 0.3 . 1 . . . . . 4 THR CA . 50355 1 16 . 1 . 1 2 2 THR CB C 13 69.446 0.3 . 1 . . . . . 4 THR CB . 50355 1 17 . 1 . 1 2 2 THR N N 15 116.164 0.3 . 1 . . . . . 4 THR N . 50355 1 18 . 1 . 1 3 3 ALA H H 1 8.254 0.020 . 1 . . . . . 5 ALA H . 50355 1 19 . 1 . 1 3 3 ALA HA H 1 4.514 0.020 . 1 . . . . . 5 ALA HA . 50355 1 20 . 1 . 1 3 3 ALA HB1 H 1 1.444 0.020 . 1 . . . . . 5 ALA HB . 50355 1 21 . 1 . 1 3 3 ALA HB2 H 1 1.444 0.020 . 1 . . . . . 5 ALA HB . 50355 1 22 . 1 . 1 3 3 ALA HB3 H 1 1.444 0.020 . 1 . . . . . 5 ALA HB . 50355 1 23 . 1 . 1 3 3 ALA C C 13 179.202 0.3 . 1 . . . . . 5 ALA C . 50355 1 24 . 1 . 1 3 3 ALA CA C 13 52.678 0.3 . 1 . . . . . 5 ALA CA . 50355 1 25 . 1 . 1 3 3 ALA CB C 13 19.772 0.3 . 1 . . . . . 5 ALA CB . 50355 1 26 . 1 . 1 3 3 ALA N N 15 128.027 0.3 . 1 . . . . . 5 ALA N . 50355 1 27 . 1 . 1 4 4 PHE H H 1 8.304 0.020 . 1 . . . . . 6 PHE H . 50355 1 28 . 1 . 1 4 4 PHE CA C 13 62.107 0.3 . 1 . . . . . 6 PHE CA . 50355 1 29 . 1 . 1 4 4 PHE N N 15 121.267 0.3 . 1 . . . . . 6 PHE N . 50355 1 30 . 1 . 1 5 5 SER H H 1 8.198 0.020 . 1 . . . . . 7 SER H . 50355 1 31 . 1 . 1 5 5 SER HA H 1 3.957 0.020 . 1 . . . . . 7 SER HA . 50355 1 32 . 1 . 1 5 5 SER CA C 13 60.915 0.3 . 1 . . . . . 7 SER CA . 50355 1 33 . 1 . 1 5 5 SER CB C 13 62.295 0.3 . 1 . . . . . 7 SER CB . 50355 1 34 . 1 . 1 5 5 SER N N 15 113.820 0.3 . 1 . . . . . 7 SER N . 50355 1 35 . 1 . 1 6 6 THR H H 1 7.346 0.020 . 1 . . . . . 8 THR H . 50355 1 36 . 1 . 1 6 6 THR C C 13 174.965 0.3 . 1 . . . . . 8 THR C . 50355 1 37 . 1 . 1 6 6 THR CA C 13 63.761 0.3 . 1 . . . . . 8 THR CA . 50355 1 38 . 1 . 1 6 6 THR CB C 13 69.366 0.3 . 1 . . . . . 8 THR CB . 50355 1 39 . 1 . 1 6 6 THR N N 15 113.742 0.3 . 1 . . . . . 8 THR N . 50355 1 40 . 1 . 1 7 7 LEU H H 1 7.242 0.020 . 1 . . . . . 9 LEU H . 50355 1 41 . 1 . 1 7 7 LEU HA H 1 4.162 0.020 . 1 . . . . . 9 LEU HA . 50355 1 42 . 1 . 1 7 7 LEU HB2 H 1 1.913 0.020 . 1 . . . . . 9 LEU HB2 . 50355 1 43 . 1 . 1 7 7 LEU HB3 H 1 1.913 0.020 . 1 . . . . . 9 LEU HB3 . 50355 1 44 . 1 . 1 7 7 LEU HG H 1 1.563 0.020 . 1 . . . . . 9 LEU HG . 50355 1 45 . 1 . 1 7 7 LEU HD11 H 1 0.642 0.020 . 2 . . . . . 9 LEU HD1 . 50355 1 46 . 1 . 1 7 7 LEU HD12 H 1 0.642 0.020 . 2 . . . . . 9 LEU HD1 . 50355 1 47 . 1 . 1 7 7 LEU HD13 H 1 0.642 0.020 . 2 . . . . . 9 LEU HD1 . 50355 1 48 . 1 . 1 7 7 LEU HD21 H 1 0.936 0.020 . 2 . . . . . 9 LEU HD2 . 50355 1 49 . 1 . 1 7 7 LEU HD22 H 1 0.936 0.020 . 2 . . . . . 9 LEU HD2 . 50355 1 50 . 1 . 1 7 7 LEU HD23 H 1 0.936 0.020 . 2 . . . . . 9 LEU HD2 . 50355 1 51 . 1 . 1 7 7 LEU CA C 13 55.071 0.3 . 1 . . . . . 9 LEU CA . 50355 1 52 . 1 . 1 7 7 LEU CB C 13 40.934 0.3 . 1 . . . . . 9 LEU CB . 50355 1 53 . 1 . 1 7 7 LEU CD1 C 13 22.443 0.3 . 1 . . . . . 9 LEU CD1 . 50355 1 54 . 1 . 1 7 7 LEU CD2 C 13 27.080 0.3 . 1 . . . . . 9 LEU CD2 . 50355 1 55 . 1 . 1 7 7 LEU N N 15 120.533 0.3 . 1 . . . . . 9 LEU N . 50355 1 56 . 1 . 1 8 8 ASN H H 1 7.704 0.020 . 1 . . . . . 10 ASN H . 50355 1 57 . 1 . 1 8 8 ASN HA H 1 4.354 0.020 . 1 . . . . . 10 ASN HA . 50355 1 58 . 1 . 1 8 8 ASN HB2 H 1 2.849 0.020 . 1 . . . . . 10 ASN HB2 . 50355 1 59 . 1 . 1 8 8 ASN HB3 H 1 2.849 0.020 . 1 . . . . . 10 ASN HB3 . 50355 1 60 . 1 . 1 8 8 ASN C C 13 175.521 0.3 . 1 . . . . . 10 ASN C . 50355 1 61 . 1 . 1 8 8 ASN CA C 13 55.970 0.3 . 1 . . . . . 10 ASN CA . 50355 1 62 . 1 . 1 8 8 ASN N N 15 115.912 0.3 . 1 . . . . . 10 ASN N . 50355 1 63 . 1 . 1 9 9 VAL H H 1 7.424 0.020 . 1 . . . . . 11 VAL H . 50355 1 64 . 1 . 1 9 9 VAL HA H 1 4.226 0.020 . 1 . . . . . 11 VAL HA . 50355 1 65 . 1 . 1 9 9 VAL HB H 1 2.036 0.020 . 1 . . . . . 11 VAL HB . 50355 1 66 . 1 . 1 9 9 VAL HG11 H 1 0.744 0.020 . 2 . . . . . 11 VAL HG1 . 50355 1 67 . 1 . 1 9 9 VAL HG12 H 1 0.744 0.020 . 2 . . . . . 11 VAL HG1 . 50355 1 68 . 1 . 1 9 9 VAL HG13 H 1 0.744 0.020 . 2 . . . . . 11 VAL HG1 . 50355 1 69 . 1 . 1 9 9 VAL HG21 H 1 0.848 0.020 . 2 . . . . . 11 VAL HG2 . 50355 1 70 . 1 . 1 9 9 VAL HG22 H 1 0.848 0.020 . 2 . . . . . 11 VAL HG2 . 50355 1 71 . 1 . 1 9 9 VAL HG23 H 1 0.848 0.020 . 2 . . . . . 11 VAL HG2 . 50355 1 72 . 1 . 1 9 9 VAL C C 13 176.052 0.3 . 1 . . . . . 11 VAL C . 50355 1 73 . 1 . 1 9 9 VAL CA C 13 62.124 0.3 . 1 . . . . . 11 VAL CA . 50355 1 74 . 1 . 1 9 9 VAL CB C 13 33.482 0.3 . 1 . . . . . 11 VAL CB . 50355 1 75 . 1 . 1 9 9 VAL CG1 C 13 20.038 0.3 . 1 . . . . . 11 VAL CG1 . 50355 1 76 . 1 . 1 9 9 VAL CG2 C 13 21.183 0.3 . 1 . . . . . 11 VAL CG2 . 50355 1 77 . 1 . 1 9 9 VAL N N 15 111.788 0.3 . 1 . . . . . 11 VAL N . 50355 1 78 . 1 . 1 10 10 LEU H H 1 7.690 0.020 . 1 . . . . . 12 LEU H . 50355 1 79 . 1 . 1 10 10 LEU C C 13 174.111 0.3 . 1 . . . . . 12 LEU C . 50355 1 80 . 1 . 1 10 10 LEU CA C 13 52.930 0.3 . 1 . . . . . 12 LEU CA . 50355 1 81 . 1 . 1 10 10 LEU CB C 13 40.524 0.3 . 1 . . . . . 12 LEU CB . 50355 1 82 . 1 . 1 10 10 LEU N N 15 122.024 0.3 . 1 . . . . . 12 LEU N . 50355 1 83 . 1 . 1 13 13 ALA H H 1 8.574 0.020 . 1 . . . . . 15 ALA H . 50355 1 84 . 1 . 1 13 13 ALA HA H 1 4.075 0.020 . 1 . . . . . 15 ALA HA . 50355 1 85 . 1 . 1 13 13 ALA HB1 H 1 1.431 0.020 . 1 . . . . . 15 ALA HB . 50355 1 86 . 1 . 1 13 13 ALA HB2 H 1 1.431 0.020 . 1 . . . . . 15 ALA HB . 50355 1 87 . 1 . 1 13 13 ALA HB3 H 1 1.431 0.020 . 1 . . . . . 15 ALA HB . 50355 1 88 . 1 . 1 13 13 ALA C C 13 180.809 0.3 . 1 . . . . . 15 ALA C . 50355 1 89 . 1 . 1 13 13 ALA CA C 13 54.887 0.3 . 1 . . . . . 15 ALA CA . 50355 1 90 . 1 . 1 13 13 ALA CB C 13 18.927 0.3 . 1 . . . . . 15 ALA CB . 50355 1 91 . 1 . 1 13 13 ALA N N 15 117.180 0.3 . 1 . . . . . 15 ALA N . 50355 1 92 . 1 . 1 14 14 GLN H H 1 7.251 0.020 . 1 . . . . . 16 GLN H . 50355 1 93 . 1 . 1 14 14 GLN HA H 1 4.582 0.020 . 1 . . . . . 16 GLN HA . 50355 1 94 . 1 . 1 14 14 GLN C C 13 176.991 0.3 . 1 . . . . . 16 GLN C . 50355 1 95 . 1 . 1 14 14 GLN CA C 13 55.493 0.3 . 1 . . . . . 16 GLN CA . 50355 1 96 . 1 . 1 14 14 GLN CB C 13 29.440 0.3 . 1 . . . . . 16 GLN CB . 50355 1 97 . 1 . 1 14 14 GLN N N 15 118.438 0.3 . 1 . . . . . 16 GLN N . 50355 1 98 . 1 . 1 15 15 LEU H H 1 7.494 0.020 . 1 . . . . . 17 LEU H . 50355 1 99 . 1 . 1 15 15 LEU HA H 1 3.788 0.020 . 1 . . . . . 17 LEU HA . 50355 1 100 . 1 . 1 15 15 LEU HB2 H 1 1.330 0.020 . 2 . . . . . 17 LEU HB2 . 50355 1 101 . 1 . 1 15 15 LEU HB3 H 1 1.818 0.020 . 2 . . . . . 17 LEU HB3 . 50355 1 102 . 1 . 1 15 15 LEU HD11 H 1 0.581 0.020 . 2 . . . . . 17 LEU HD1 . 50355 1 103 . 1 . 1 15 15 LEU HD12 H 1 0.581 0.020 . 2 . . . . . 17 LEU HD1 . 50355 1 104 . 1 . 1 15 15 LEU HD13 H 1 0.581 0.020 . 2 . . . . . 17 LEU HD1 . 50355 1 105 . 1 . 1 15 15 LEU HD21 H 1 0.734 0.020 . 2 . . . . . 17 LEU HD2 . 50355 1 106 . 1 . 1 15 15 LEU HD22 H 1 0.734 0.020 . 2 . . . . . 17 LEU HD2 . 50355 1 107 . 1 . 1 15 15 LEU HD23 H 1 0.734 0.020 . 2 . . . . . 17 LEU HD2 . 50355 1 108 . 1 . 1 15 15 LEU C C 13 179.850 0.3 . 1 . . . . . 17 LEU C . 50355 1 109 . 1 . 1 15 15 LEU CA C 13 58.660 0.3 . 1 . . . . . 17 LEU CA . 50355 1 110 . 1 . 1 15 15 LEU CB C 13 40.034 0.3 . 1 . . . . . 17 LEU CB . 50355 1 111 . 1 . 1 15 15 LEU CD1 C 13 26.279 0.3 . 1 . . . . . 17 LEU CD1 . 50355 1 112 . 1 . 1 15 15 LEU CD2 C 13 26.565 0.3 . 1 . . . . . 17 LEU CD2 . 50355 1 113 . 1 . 1 15 15 LEU N N 15 121.321 0.3 . 1 . . . . . 17 LEU N . 50355 1 114 . 1 . 1 16 16 THR H H 1 8.105 0.020 . 1 . . . . . 18 THR H . 50355 1 115 . 1 . 1 16 16 THR HA H 1 3.823 0.020 . 1 . . . . . 18 THR HA . 50355 1 116 . 1 . 1 16 16 THR HB H 1 3.967 0.020 . 1 . . . . . 18 THR HB . 50355 1 117 . 1 . 1 16 16 THR C C 13 175.558 0.3 . 1 . . . . . 18 THR C . 50355 1 118 . 1 . 1 16 16 THR CA C 13 66.531 0.3 . 1 . . . . . 18 THR CA . 50355 1 119 . 1 . 1 16 16 THR CB C 13 68.510 0.3 . 1 . . . . . 18 THR CB . 50355 1 120 . 1 . 1 16 16 THR N N 15 115.383 0.3 . 1 . . . . . 18 THR N . 50355 1 121 . 1 . 1 17 17 ASN H H 1 7.181 0.020 . 1 . . . . . 19 ASN H . 50355 1 122 . 1 . 1 17 17 ASN HA H 1 4.249 0.020 . 1 . . . . . 19 ASN HA . 50355 1 123 . 1 . 1 17 17 ASN HB2 H 1 2.547 0.020 . 2 . . . . . 19 ASN HB2 . 50355 1 124 . 1 . 1 17 17 ASN HB3 H 1 3.542 0.020 . 2 . . . . . 19 ASN HB3 . 50355 1 125 . 1 . 1 17 17 ASN C C 13 176.233 0.3 . 1 . . . . . 19 ASN C . 50355 1 126 . 1 . 1 17 17 ASN CA C 13 57.023 0.3 . 1 . . . . . 19 ASN CA . 50355 1 127 . 1 . 1 17 17 ASN CB C 13 38.446 0.3 . 1 . . . . . 19 ASN CB . 50355 1 128 . 1 . 1 17 17 ASN N N 15 121.868 0.3 . 1 . . . . . 19 ASN N . 50355 1 129 . 1 . 1 18 18 LEU H H 1 8.660 0.020 . 1 . . . . . 20 LEU H . 50355 1 130 . 1 . 1 18 18 LEU HA H 1 3.624 0.020 . 1 . . . . . 20 LEU HA . 50355 1 131 . 1 . 1 18 18 LEU HB3 H 1 1.726 0.020 . 1 . . . . . 20 LEU HB3 . 50355 1 132 . 1 . 1 18 18 LEU HG H 1 1.580 0.020 . 1 . . . . . 20 LEU HG . 50355 1 133 . 1 . 1 18 18 LEU HD11 H 1 -0.049 0.020 . 2 . . . . . 20 LEU HD1 . 50355 1 134 . 1 . 1 18 18 LEU HD12 H 1 -0.049 0.020 . 2 . . . . . 20 LEU HD1 . 50355 1 135 . 1 . 1 18 18 LEU HD13 H 1 -0.049 0.020 . 2 . . . . . 20 LEU HD1 . 50355 1 136 . 1 . 1 18 18 LEU HD21 H 1 0.035 0.020 . 2 . . . . . 20 LEU HD2 . 50355 1 137 . 1 . 1 18 18 LEU HD22 H 1 0.035 0.020 . 2 . . . . . 20 LEU HD2 . 50355 1 138 . 1 . 1 18 18 LEU HD23 H 1 0.035 0.020 . 2 . . . . . 20 LEU HD2 . 50355 1 139 . 1 . 1 18 18 LEU C C 13 178.882 0.3 . 1 . . . . . 20 LEU C . 50355 1 140 . 1 . 1 18 18 LEU CA C 13 58.229 0.3 . 1 . . . . . 20 LEU CA . 50355 1 141 . 1 . 1 18 18 LEU CB C 13 40.398 0.3 . 1 . . . . . 20 LEU CB . 50355 1 142 . 1 . 1 18 18 LEU CG C 13 25.821 0.3 . 1 . . . . . 20 LEU CG . 50355 1 143 . 1 . 1 18 18 LEU CD1 C 13 22.132 0.3 . 1 . . . . . 20 LEU CD1 . 50355 1 144 . 1 . 1 18 18 LEU CD2 C 13 25.738 0.3 . 1 . . . . . 20 LEU CD2 . 50355 1 145 . 1 . 1 18 18 LEU N N 15 117.805 0.3 . 1 . . . . . 20 LEU N . 50355 1 146 . 1 . 1 19 19 ASN H H 1 7.627 0.020 . 1 . . . . . 21 ASN H . 50355 1 147 . 1 . 1 19 19 ASN HA H 1 4.121 0.020 . 1 . . . . . 21 ASN HA . 50355 1 148 . 1 . 1 19 19 ASN HB2 H 1 2.752 0.020 . 2 . . . . . 21 ASN HB2 . 50355 1 149 . 1 . 1 19 19 ASN HB3 H 1 2.823 0.020 . 2 . . . . . 21 ASN HB3 . 50355 1 150 . 1 . 1 19 19 ASN C C 13 178.869 0.3 . 1 . . . . . 21 ASN C . 50355 1 151 . 1 . 1 19 19 ASN CA C 13 56.775 0.3 . 1 . . . . . 21 ASN CA . 50355 1 152 . 1 . 1 19 19 ASN CB C 13 38.584 0.3 . 1 . . . . . 21 ASN CB . 50355 1 153 . 1 . 1 19 19 ASN N N 15 117.570 0.3 . 1 . . . . . 21 ASN N . 50355 1 154 . 1 . 1 20 20 GLU H H 1 8.175 0.020 . 1 . . . . . 22 GLU H . 50355 1 155 . 1 . 1 20 20 GLU HA H 1 3.838 0.020 . 1 . . . . . 22 GLU HA . 50355 1 156 . 1 . 1 20 20 GLU HB2 H 1 1.959 0.020 . 2 . . . . . 22 GLU HB2 . 50355 1 157 . 1 . 1 20 20 GLU HB3 H 1 2.110 0.020 . 2 . . . . . 22 GLU HB3 . 50355 1 158 . 1 . 1 20 20 GLU C C 13 179.056 0.3 . 1 . . . . . 22 GLU C . 50355 1 159 . 1 . 1 20 20 GLU CA C 13 59.479 0.3 . 1 . . . . . 22 GLU CA . 50355 1 160 . 1 . 1 20 20 GLU CB C 13 29.629 0.3 . 1 . . . . . 22 GLU CB . 50355 1 161 . 1 . 1 20 20 GLU N N 15 122.024 0.3 . 1 . . . . . 22 GLU N . 50355 1 162 . 1 . 1 21 21 LEU H H 1 7.956 0.020 . 1 . . . . . 23 LEU H . 50355 1 163 . 1 . 1 21 21 LEU HA H 1 4.025 0.020 . 1 . . . . . 23 LEU HA . 50355 1 164 . 1 . 1 21 21 LEU HB2 H 1 1.298 0.020 . 2 . . . . . 23 LEU HB2 . 50355 1 165 . 1 . 1 21 21 LEU HB3 H 1 1.699 0.020 . 2 . . . . . 23 LEU HB3 . 50355 1 166 . 1 . 1 21 21 LEU HG H 1 0.779 0.020 . 1 . . . . . 23 LEU HG . 50355 1 167 . 1 . 1 21 21 LEU HD11 H 1 0.568 0.020 . 2 . . . . . 23 LEU HD1 . 50355 1 168 . 1 . 1 21 21 LEU HD12 H 1 0.568 0.020 . 2 . . . . . 23 LEU HD1 . 50355 1 169 . 1 . 1 21 21 LEU HD13 H 1 0.568 0.020 . 2 . . . . . 23 LEU HD1 . 50355 1 170 . 1 . 1 21 21 LEU HD21 H 1 0.705 0.020 . 2 . . . . . 23 LEU HD2 . 50355 1 171 . 1 . 1 21 21 LEU HD22 H 1 0.705 0.020 . 2 . . . . . 23 LEU HD2 . 50355 1 172 . 1 . 1 21 21 LEU HD23 H 1 0.705 0.020 . 2 . . . . . 23 LEU HD2 . 50355 1 173 . 1 . 1 21 21 LEU C C 13 177.152 0.3 . 1 . . . . . 23 LEU C . 50355 1 174 . 1 . 1 21 21 LEU CA C 13 55.134 0.3 . 1 . . . . . 23 LEU CA . 50355 1 175 . 1 . 1 21 21 LEU CB C 13 43.232 0.3 . 1 . . . . . 23 LEU CB . 50355 1 176 . 1 . 1 21 21 LEU CD1 C 13 26.716 0.3 . 1 . . . . . 23 LEU CD1 . 50355 1 177 . 1 . 1 21 21 LEU CD2 C 13 22.615 0.3 . 1 . . . . . 23 LEU CD2 . 50355 1 178 . 1 . 1 21 21 LEU N N 15 117.727 0.3 . 1 . . . . . 23 LEU N . 50355 1 179 . 1 . 1 22 22 GLY H H 1 7.573 0.020 . 1 . . . . . 24 GLY H . 50355 1 180 . 1 . 1 22 22 GLY HA2 H 1 3.460 0.020 . 2 . . . . . 24 GLY HA2 . 50355 1 181 . 1 . 1 22 22 GLY HA3 H 1 4.044 0.020 . 2 . . . . . 24 GLY HA3 . 50355 1 182 . 1 . 1 22 22 GLY C C 13 174.804 0.3 . 1 . . . . . 24 GLY C . 50355 1 183 . 1 . 1 22 22 GLY CA C 13 45.436 0.3 . 1 . . . . . 24 GLY CA . 50355 1 184 . 1 . 1 22 22 GLY N N 15 106.710 0.3 . 1 . . . . . 24 GLY N . 50355 1 185 . 1 . 1 23 23 TYR H H 1 8.202 0.020 . 1 . . . . . 25 TYR H . 50355 1 186 . 1 . 1 23 23 TYR HA H 1 4.614 0.020 . 1 . . . . . 25 TYR HA . 50355 1 187 . 1 . 1 23 23 TYR HB2 H 1 2.602 0.020 . 1 . . . . . 25 TYR HB2 . 50355 1 188 . 1 . 1 23 23 TYR HB3 H 1 2.602 0.020 . 1 . . . . . 25 TYR HB3 . 50355 1 189 . 1 . 1 23 23 TYR C C 13 174.079 0.3 . 1 . . . . . 25 TYR C . 50355 1 190 . 1 . 1 23 23 TYR CA C 13 55.814 0.3 . 1 . . . . . 25 TYR CA . 50355 1 191 . 1 . 1 23 23 TYR CB C 13 35.864 0.3 . 1 . . . . . 25 TYR CB . 50355 1 192 . 1 . 1 23 23 TYR N N 15 123.557 0.3 . 1 . . . . . 25 TYR N . 50355 1 193 . 1 . 1 24 24 LEU H H 1 8.010 0.020 . 1 . . . . . 26 LEU H . 50355 1 194 . 1 . 1 24 24 LEU HA H 1 4.372 0.020 . 1 . . . . . 26 LEU HA . 50355 1 195 . 1 . 1 24 24 LEU HB2 H 1 1.575 0.020 . 2 . . . . . 26 LEU HB2 . 50355 1 196 . 1 . 1 24 24 LEU HB3 H 1 1.735 0.020 . 2 . . . . . 26 LEU HB3 . 50355 1 197 . 1 . 1 24 24 LEU HG H 1 1.503 0.020 . 1 . . . . . 26 LEU HG . 50355 1 198 . 1 . 1 24 24 LEU HD11 H 1 0.786 0.020 . 2 . . . . . 26 LEU HD1 . 50355 1 199 . 1 . 1 24 24 LEU HD12 H 1 0.786 0.020 . 2 . . . . . 26 LEU HD1 . 50355 1 200 . 1 . 1 24 24 LEU HD13 H 1 0.786 0.020 . 2 . . . . . 26 LEU HD1 . 50355 1 201 . 1 . 1 24 24 LEU HD21 H 1 0.848 0.020 . 2 . . . . . 26 LEU HD2 . 50355 1 202 . 1 . 1 24 24 LEU HD22 H 1 0.848 0.020 . 2 . . . . . 26 LEU HD2 . 50355 1 203 . 1 . 1 24 24 LEU HD23 H 1 0.848 0.020 . 2 . . . . . 26 LEU HD2 . 50355 1 204 . 1 . 1 24 24 LEU C C 13 178.165 0.3 . 1 . . . . . 26 LEU C . 50355 1 205 . 1 . 1 24 24 LEU CA C 13 56.713 0.3 . 1 . . . . . 26 LEU CA . 50355 1 206 . 1 . 1 24 24 LEU CB C 13 42.850 0.3 . 1 . . . . . 26 LEU CB . 50355 1 207 . 1 . 1 24 24 LEU CG C 13 27.11 0.3 . 1 . . . . . 26 LEU CG . 50355 1 208 . 1 . 1 24 24 LEU CD1 C 13 23.015 0.3 . 1 . . . . . 26 LEU CD1 . 50355 1 209 . 1 . 1 24 24 LEU CD2 C 13 24.533 0.3 . 1 . . . . . 26 LEU CD2 . 50355 1 210 . 1 . 1 24 24 LEU N N 15 122.913 0.3 . 1 . . . . . 26 LEU N . 50355 1 211 . 1 . 1 25 25 THR H H 1 8.081 0.020 . 1 . . . . . 27 THR H . 50355 1 212 . 1 . 1 25 25 THR HA H 1 4.418 0.020 . 1 . . . . . 27 THR HA . 50355 1 213 . 1 . 1 25 25 THR HB H 1 3.889 0.020 . 1 . . . . . 27 THR HB . 50355 1 214 . 1 . 1 25 25 THR C C 13 173.123 0.3 . 1 . . . . . 27 THR C . 50355 1 215 . 1 . 1 25 25 THR CA C 13 59.983 0.3 . 1 . . . . . 27 THR CA . 50355 1 216 . 1 . 1 25 25 THR CB C 13 71.129 0.3 . 1 . . . . . 27 THR CB . 50355 1 217 . 1 . 1 25 25 THR N N 15 113.195 0.3 . 1 . . . . . 27 THR N . 50355 1 218 . 1 . 1 26 26 MET H H 1 8.324 0.020 . 1 . . . . . 28 MET H . 50355 1 219 . 1 . 1 26 26 MET HA H 1 4.290 0.020 . 1 . . . . . 28 MET HA . 50355 1 220 . 1 . 1 26 26 MET HG2 H 1 1.188 0.020 . 2 . . . . . 28 MET HG2 . 50355 1 221 . 1 . 1 26 26 MET HG3 H 1 0.619 0.020 . 2 . . . . . 28 MET HG3 . 50355 1 222 . 1 . 1 26 26 MET HE1 H 1 1.471 0.020 . 1 . . . . . 28 MET HE . 50355 1 223 . 1 . 1 26 26 MET HE2 H 1 1.471 0.020 . 1 . . . . . 28 MET HE . 50355 1 224 . 1 . 1 26 26 MET HE3 H 1 1.471 0.020 . 1 . . . . . 28 MET HE . 50355 1 225 . 1 . 1 26 26 MET C C 13 177.278 0.3 . 1 . . . . . 28 MET C . 50355 1 226 . 1 . 1 26 26 MET CA C 13 56.330 0.3 . 1 . . . . . 28 MET CA . 50355 1 227 . 1 . 1 26 26 MET CB C 13 35.171 0.3 . 1 . . . . . 28 MET CB . 50355 1 228 . 1 . 1 26 26 MET CG C 13 30.716 0.3 . 1 . . . . . 28 MET CG . 50355 1 229 . 1 . 1 26 26 MET CE C 13 16.610 0.3 . 1 . . . . . 28 MET CE . 50355 1 230 . 1 . 1 26 26 MET N N 15 122.415 0.3 . 1 . . . . . 28 MET N . 50355 1 231 . 1 . 1 27 27 THR H H 1 8.378 0.020 . 1 . . . . . 29 THR H . 50355 1 232 . 1 . 1 27 27 THR C C 13 173.309 0.3 . 1 . . . . . 29 THR C . 50355 1 233 . 1 . 1 27 27 THR CA C 13 60.046 0.3 . 1 . . . . . 29 THR CA . 50355 1 234 . 1 . 1 27 27 THR CB C 13 67.918 0.3 . 1 . . . . . 29 THR CB . 50355 1 235 . 1 . 1 27 27 THR N N 15 115.617 0.3 . 1 . . . . . 29 THR N . 50355 1 236 . 1 . 1 29 29 VAL H H 1 8.871 0.020 . 1 . . . . . 31 VAL H . 50355 1 237 . 1 . 1 29 29 VAL HA H 1 3.642 0.020 . 1 . . . . . 31 VAL HA . 50355 1 238 . 1 . 1 29 29 VAL HB H 1 1.964 0.020 . 1 . . . . . 31 VAL HB . 50355 1 239 . 1 . 1 29 29 VAL HG11 H 1 0.641 0.020 . 2 . . . . . 31 VAL HG1 . 50355 1 240 . 1 . 1 29 29 VAL HG12 H 1 0.641 0.020 . 2 . . . . . 31 VAL HG1 . 50355 1 241 . 1 . 1 29 29 VAL HG13 H 1 0.641 0.020 . 2 . . . . . 31 VAL HG1 . 50355 1 242 . 1 . 1 29 29 VAL HG21 H 1 0.975 0.020 . 2 . . . . . 31 VAL HG2 . 50355 1 243 . 1 . 1 29 29 VAL HG22 H 1 0.975 0.020 . 2 . . . . . 31 VAL HG2 . 50355 1 244 . 1 . 1 29 29 VAL HG23 H 1 0.975 0.020 . 2 . . . . . 31 VAL HG2 . 50355 1 245 . 1 . 1 29 29 VAL C C 13 176.497 0.3 . 1 . . . . . 31 VAL C . 50355 1 246 . 1 . 1 29 29 VAL CA C 13 65.871 0.3 . 1 . . . . . 31 VAL CA . 50355 1 247 . 1 . 1 29 29 VAL CB C 13 31.245 0.3 . 1 . . . . . 31 VAL CB . 50355 1 248 . 1 . 1 29 29 VAL CG1 C 13 20.496 0.3 . 1 . . . . . 31 VAL CG1 . 50355 1 249 . 1 . 1 29 29 VAL CG2 C 13 24.103 0.3 . 1 . . . . . 31 VAL CG2 . 50355 1 250 . 1 . 1 29 29 VAL N N 15 117.023 0.3 . 1 . . . . . 31 VAL N . 50355 1 251 . 1 . 1 30 30 GLN H H 1 6.955 0.020 . 1 . . . . . 32 GLN H . 50355 1 252 . 1 . 1 30 30 GLN HA H 1 3.606 0.020 . 1 . . . . . 32 GLN HA . 50355 1 253 . 1 . 1 30 30 GLN C C 13 176.463 0.3 . 1 . . . . . 32 GLN C . 50355 1 254 . 1 . 1 30 30 GLN CA C 13 59.290 0.3 . 1 . . . . . 32 GLN CA . 50355 1 255 . 1 . 1 30 30 GLN CB C 13 26.795 0.3 . 1 . . . . . 32 GLN CB . 50355 1 256 . 1 . 1 30 30 GLN N N 15 120.461 0.3 . 1 . . . . . 32 GLN N . 50355 1 257 . 1 . 1 31 31 ALA H H 1 8.503 0.020 . 1 . . . . . 33 ALA H . 50355 1 258 . 1 . 1 31 31 ALA HA H 1 3.911 0.020 . 1 . . . . . 33 ALA HA . 50355 1 259 . 1 . 1 31 31 ALA HB1 H 1 1.152 0.020 . 1 . . . . . 33 ALA HB . 50355 1 260 . 1 . 1 31 31 ALA HB2 H 1 1.152 0.020 . 1 . . . . . 33 ALA HB . 50355 1 261 . 1 . 1 31 31 ALA HB3 H 1 1.152 0.020 . 1 . . . . . 33 ALA HB . 50355 1 262 . 1 . 1 31 31 ALA C C 13 179.118 0.3 . 1 . . . . . 33 ALA C . 50355 1 263 . 1 . 1 31 31 ALA CA C 13 54.756 0.3 . 1 . . . . . 33 ALA CA . 50355 1 264 . 1 . 1 31 31 ALA CB C 13 18.168 0.3 . 1 . . . . . 33 ALA CB . 50355 1 265 . 1 . 1 31 31 ALA N N 15 119.758 0.3 . 1 . . . . . 33 ALA N . 50355 1 266 . 1 . 1 32 32 ALA H H 1 7.580 0.020 . 1 . . . . . 34 ALA H . 50355 1 267 . 1 . 1 32 32 ALA HA H 1 4.149 0.020 . 1 . . . . . 34 ALA HA . 50355 1 268 . 1 . 1 32 32 ALA HB1 H 1 1.311 0.020 . 1 . . . . . 34 ALA HB . 50355 1 269 . 1 . 1 32 32 ALA HB2 H 1 1.311 0.020 . 1 . . . . . 34 ALA HB . 50355 1 270 . 1 . 1 32 32 ALA HB3 H 1 1.311 0.020 . 1 . . . . . 34 ALA HB . 50355 1 271 . 1 . 1 32 32 ALA C C 13 179.129 0.3 . 1 . . . . . 34 ALA C . 50355 1 272 . 1 . 1 32 32 ALA CA C 13 53.685 0.3 . 1 . . . . . 34 ALA CA . 50355 1 273 . 1 . 1 32 32 ALA CB C 13 19.868 0.3 . 1 . . . . . 34 ALA CB . 50355 1 274 . 1 . 1 32 32 ALA N N 15 114.992 0.3 . 1 . . . . . 34 ALA N . 50355 1 275 . 1 . 1 33 33 ALA H H 1 7.987 0.020 . 1 . . . . . 35 ALA H . 50355 1 276 . 1 . 1 33 33 ALA HA H 1 4.354 0.020 . 1 . . . . . 35 ALA HA . 50355 1 277 . 1 . 1 33 33 ALA HB1 H 1 1.298 0.020 . 1 . . . . . 35 ALA HB . 50355 1 278 . 1 . 1 33 33 ALA HB2 H 1 1.298 0.020 . 1 . . . . . 35 ALA HB . 50355 1 279 . 1 . 1 33 33 ALA HB3 H 1 1.298 0.020 . 1 . . . . . 35 ALA HB . 50355 1 280 . 1 . 1 33 33 ALA C C 13 177.708 0.3 . 1 . . . . . 35 ALA C . 50355 1 281 . 1 . 1 33 33 ALA CA C 13 53.371 0.3 . 1 . . . . . 35 ALA CA . 50355 1 282 . 1 . 1 33 33 ALA CB C 13 20.120 0.3 . 1 . . . . . 35 ALA CB . 50355 1 283 . 1 . 1 33 33 ALA N N 15 116.711 0.3 . 1 . . . . . 35 ALA N . 50355 1 284 . 1 . 1 34 34 LEU H H 1 8.417 0.020 . 1 . . . . . 36 LEU H . 50355 1 285 . 1 . 1 34 34 LEU HA H 1 4.065 0.020 . 1 . . . . . 36 LEU HA . 50355 1 286 . 1 . 1 34 34 LEU HB2 H 1 1.799 0.020 . 2 . . . . . 36 LEU HB2 . 50355 1 287 . 1 . 1 34 34 LEU HB3 H 1 2.173 0.020 . 2 . . . . . 36 LEU HB3 . 50355 1 288 . 1 . 1 34 34 LEU HD11 H 1 0.930 0.020 . 2 . . . . . 36 LEU HD1 . 50355 1 289 . 1 . 1 34 34 LEU HD12 H 1 0.930 0.020 . 2 . . . . . 36 LEU HD1 . 50355 1 290 . 1 . 1 34 34 LEU HD13 H 1 0.930 0.020 . 2 . . . . . 36 LEU HD1 . 50355 1 291 . 1 . 1 34 34 LEU HD21 H 1 1.063 0.020 . 2 . . . . . 36 LEU HD2 . 50355 1 292 . 1 . 1 34 34 LEU HD22 H 1 1.063 0.020 . 2 . . . . . 36 LEU HD2 . 50355 1 293 . 1 . 1 34 34 LEU HD23 H 1 1.063 0.020 . 2 . . . . . 36 LEU HD2 . 50355 1 294 . 1 . 1 34 34 LEU C C 13 174.804 0.3 . 1 . . . . . 36 LEU C . 50355 1 295 . 1 . 1 34 34 LEU CA C 13 60.550 0.3 . 1 . . . . . 36 LEU CA . 50355 1 296 . 1 . 1 34 34 LEU CB C 13 39.705 0.3 . 1 . . . . . 36 LEU CB . 50355 1 297 . 1 . 1 34 34 LEU CG C 13 30.286 0.3 . 1 . . . . . 36 LEU CG . 50355 1 298 . 1 . 1 34 34 LEU CD1 C 13 25.689 0.3 . 1 . . . . . 36 LEU CD1 . 50355 1 299 . 1 . 1 34 34 LEU CD2 C 13 25.420 0.3 . 1 . . . . . 36 LEU CD2 . 50355 1 300 . 1 . 1 34 34 LEU N N 15 116.867 0.3 . 1 . . . . . 36 LEU N . 50355 1 301 . 1 . 1 36 36 ALA H H 1 7.559 0.020 . 1 . . . . . 38 ALA H . 50355 1 302 . 1 . 1 36 36 ALA HA H 1 4.003 0.020 . 1 . . . . . 38 ALA HA . 50355 1 303 . 1 . 1 36 36 ALA HB1 H 1 1.197 0.020 . 1 . . . . . 38 ALA HB . 50355 1 304 . 1 . 1 36 36 ALA HB2 H 1 1.197 0.020 . 1 . . . . . 38 ALA HB . 50355 1 305 . 1 . 1 36 36 ALA HB3 H 1 1.197 0.020 . 1 . . . . . 38 ALA HB . 50355 1 306 . 1 . 1 36 36 ALA C C 13 179.453 0.3 . 1 . . . . . 38 ALA C . 50355 1 307 . 1 . 1 36 36 ALA CA C 13 54.882 0.3 . 1 . . . . . 38 ALA CA . 50355 1 308 . 1 . 1 36 36 ALA CB C 13 19.302 0.3 . 1 . . . . . 38 ALA CB . 50355 1 309 . 1 . 1 36 36 ALA N N 15 119.812 0.3 . 1 . . . . . 38 ALA N . 50355 1 310 . 1 . 1 37 37 ILE H H 1 8.100 0.020 . 1 . . . . . 39 ILE H . 50355 1 311 . 1 . 1 37 37 ILE HA H 1 3.419 0.020 . 1 . . . . . 39 ILE HA . 50355 1 312 . 1 . 1 37 37 ILE HB H 1 1.919 0.020 . 1 . . . . . 39 ILE HB . 50355 1 313 . 1 . 1 37 37 ILE HG12 H 1 0.894 0.020 . 1 . . . . . 39 ILE HG12 . 50355 1 314 . 1 . 1 37 37 ILE HG13 H 1 0.894 0.020 . 1 . . . . . 39 ILE HG13 . 50355 1 315 . 1 . 1 37 37 ILE HG21 H 1 0.890 0.020 . 1 . . . . . 39 ILE HG2 . 50355 1 316 . 1 . 1 37 37 ILE HG22 H 1 0.890 0.020 . 1 . . . . . 39 ILE HG2 . 50355 1 317 . 1 . 1 37 37 ILE HG23 H 1 0.890 0.020 . 1 . . . . . 39 ILE HG2 . 50355 1 318 . 1 . 1 37 37 ILE HD11 H 1 0.708 0.020 . 1 . . . . . 39 ILE HD1 . 50355 1 319 . 1 . 1 37 37 ILE HD12 H 1 0.708 0.020 . 1 . . . . . 39 ILE HD1 . 50355 1 320 . 1 . 1 37 37 ILE HD13 H 1 0.708 0.020 . 1 . . . . . 39 ILE HD1 . 50355 1 321 . 1 . 1 37 37 ILE C C 13 180.896 0.3 . 1 . . . . . 39 ILE C . 50355 1 322 . 1 . 1 37 37 ILE CA C 13 65.557 0.3 . 1 . . . . . 39 ILE CA . 50355 1 323 . 1 . 1 37 37 ILE CB C 13 38.710 0.3 . 1 . . . . . 39 ILE CB . 50355 1 324 . 1 . 1 37 37 ILE CG1 C 13 29.599 0.3 . 1 . . . . . 39 ILE CG1 . 50355 1 325 . 1 . 1 37 37 ILE CG2 C 13 17.561 0.3 . 1 . . . . . 39 ILE CG2 . 50355 1 326 . 1 . 1 37 37 ILE CD1 C 13 14.256 0.3 . 1 . . . . . 39 ILE CD1 . 50355 1 327 . 1 . 1 37 37 ILE N N 15 118.506 0.3 . 1 . . . . . 39 ILE N . 50355 1 328 . 1 . 1 38 38 LEU H H 1 9.012 0.020 . 1 . . . . . 40 LEU H . 50355 1 329 . 1 . 1 38 38 LEU HA H 1 4.126 0.020 . 1 . . . . . 40 LEU HA . 50355 1 330 . 1 . 1 38 38 LEU HB2 H 1 1.363 0.020 . 2 . . . . . 40 LEU HB2 . 50355 1 331 . 1 . 1 38 38 LEU HB3 H 1 1.817 0.020 . 2 . . . . . 40 LEU HB3 . 50355 1 332 . 1 . 1 38 38 LEU HG H 1 1.732 0.020 . 1 . . . . . 40 LEU HG . 50355 1 333 . 1 . 1 38 38 LEU HD21 H 1 0.702 0.020 . 1 . . . . . 40 LEU HD2 . 50355 1 334 . 1 . 1 38 38 LEU HD22 H 1 0.702 0.020 . 1 . . . . . 40 LEU HD2 . 50355 1 335 . 1 . 1 38 38 LEU HD23 H 1 0.702 0.020 . 1 . . . . . 40 LEU HD2 . 50355 1 336 . 1 . 1 38 38 LEU C C 13 177.655 0.3 . 1 . . . . . 40 LEU C . 50355 1 337 . 1 . 1 38 38 LEU CA C 13 57.023 0.3 . 1 . . . . . 40 LEU CA . 50355 1 338 . 1 . 1 38 38 LEU CB C 13 40.272 0.3 . 1 . . . . . 40 LEU CB . 50355 1 339 . 1 . 1 38 38 LEU CD2 C 13 26.966 0.3 . 1 . . . . . 40 LEU CD2 . 50355 1 340 . 1 . 1 38 38 LEU N N 15 120.305 0.3 . 1 . . . . . 40 LEU N . 50355 1 341 . 1 . 1 39 39 ALA H H 1 7.260 0.020 . 1 . . . . . 41 ALA H . 50355 1 342 . 1 . 1 39 39 ALA HA H 1 4.349 0.020 . 1 . . . . . 41 ALA HA . 50355 1 343 . 1 . 1 39 39 ALA HB1 H 1 1.430 0.020 . 1 . . . . . 41 ALA HB . 50355 1 344 . 1 . 1 39 39 ALA HB2 H 1 1.430 0.020 . 1 . . . . . 41 ALA HB . 50355 1 345 . 1 . 1 39 39 ALA HB3 H 1 1.430 0.020 . 1 . . . . . 41 ALA HB . 50355 1 346 . 1 . 1 39 39 ALA C C 13 177.738 0.3 . 1 . . . . . 41 ALA C . 50355 1 347 . 1 . 1 39 39 ALA CA C 13 52.363 0.3 . 1 . . . . . 41 ALA CA . 50355 1 348 . 1 . 1 39 39 ALA CB C 13 18.861 0.3 . 1 . . . . . 41 ALA CB . 50355 1 349 . 1 . 1 39 39 ALA N N 15 120.618 0.3 . 1 . . . . . 41 ALA N . 50355 1 350 . 1 . 1 40 40 GLY H H 1 7.713 0.020 . 1 . . . . . 42 GLY H . 50355 1 351 . 1 . 1 40 40 GLY HA2 H 1 3.533 0.020 . 2 . . . . . 42 GLY HA2 . 50355 1 352 . 1 . 1 40 40 GLY HA3 H 1 4.117 0.020 . 2 . . . . . 42 GLY HA3 . 50355 1 353 . 1 . 1 40 40 GLY C C 13 174.705 0.3 . 1 . . . . . 42 GLY C . 50355 1 354 . 1 . 1 40 40 GLY CA C 13 45.310 0.3 . 1 . . . . . 42 GLY CA . 50355 1 355 . 1 . 1 40 40 GLY N N 15 106.319 0.3 . 1 . . . . . 42 GLY N . 50355 1 356 . 1 . 1 41 41 LYS H H 1 7.455 0.020 . 1 . . . . . 43 LYS H . 50355 1 357 . 1 . 1 41 41 LYS HA H 1 4.190 0.020 . 1 . . . . . 43 LYS HA . 50355 1 358 . 1 . 1 41 41 LYS HB2 H 1 1.393 0.020 . 2 . . . . . 43 LYS HB2 . 50355 1 359 . 1 . 1 41 41 LYS HB3 H 1 1.822 0.020 . 2 . . . . . 43 LYS HB3 . 50355 1 360 . 1 . 1 41 41 LYS C C 13 176.588 0.3 . 1 . . . . . 43 LYS C . 50355 1 361 . 1 . 1 41 41 LYS CA C 13 55.329 0.3 . 1 . . . . . 43 LYS CA . 50355 1 362 . 1 . 1 41 41 LYS CB C 13 32.211 0.3 . 1 . . . . . 43 LYS CB . 50355 1 363 . 1 . 1 41 41 LYS N N 15 119.602 0.3 . 1 . . . . . 43 LYS N . 50355 1 364 . 1 . 1 42 42 ASP H H 1 8.629 0.020 . 1 . . . . . 44 ASP H . 50355 1 365 . 1 . 1 42 42 ASP HA H 1 4.714 0.020 . 1 . . . . . 44 ASP HA . 50355 1 366 . 1 . 1 42 42 ASP HB2 H 1 2.780 0.020 . 2 . . . . . 44 ASP HB2 . 50355 1 367 . 1 . 1 42 42 ASP HB3 H 1 2.392 0.020 . 2 . . . . . 44 ASP HB3 . 50355 1 368 . 1 . 1 42 42 ASP C C 13 176.755 0.3 . 1 . . . . . 44 ASP C . 50355 1 369 . 1 . 1 42 42 ASP CA C 13 55.512 0.3 . 1 . . . . . 44 ASP CA . 50355 1 370 . 1 . 1 42 42 ASP CB C 13 39.579 0.3 . 1 . . . . . 44 ASP CB . 50355 1 371 . 1 . 1 42 42 ASP N N 15 124.368 0.3 . 1 . . . . . 44 ASP N . 50355 1 372 . 1 . 1 43 43 VAL H H 1 6.454 0.020 . 1 . . . . . 45 VAL H . 50355 1 373 . 1 . 1 43 43 VAL HA H 1 5.090 0.020 . 1 . . . . . 45 VAL HA . 50355 1 374 . 1 . 1 43 43 VAL HB H 1 1.650 0.020 . 1 . . . . . 45 VAL HB . 50355 1 375 . 1 . 1 43 43 VAL HG11 H 1 0.695 0.020 . 2 . . . . . 45 VAL HG1 . 50355 1 376 . 1 . 1 43 43 VAL HG12 H 1 0.695 0.020 . 2 . . . . . 45 VAL HG1 . 50355 1 377 . 1 . 1 43 43 VAL HG13 H 1 0.695 0.020 . 2 . . . . . 45 VAL HG1 . 50355 1 378 . 1 . 1 43 43 VAL HG21 H 1 0.601 0.020 . 2 . . . . . 45 VAL HG2 . 50355 1 379 . 1 . 1 43 43 VAL HG22 H 1 0.601 0.020 . 2 . . . . . 45 VAL HG2 . 50355 1 380 . 1 . 1 43 43 VAL HG23 H 1 0.601 0.020 . 2 . . . . . 45 VAL HG2 . 50355 1 381 . 1 . 1 43 43 VAL C C 13 174.866 0.3 . 1 . . . . . 45 VAL C . 50355 1 382 . 1 . 1 43 43 VAL CA C 13 59.050 0.3 . 1 . . . . . 45 VAL CA . 50355 1 383 . 1 . 1 43 43 VAL CB C 13 35.675 0.3 . 1 . . . . . 45 VAL CB . 50355 1 384 . 1 . 1 43 43 VAL CG1 C 13 22.554 0.3 . 1 . . . . . 45 VAL CG1 . 50355 1 385 . 1 . 1 43 43 VAL CG2 C 13 20.640 0.3 . 1 . . . . . 45 VAL CG2 . 50355 1 386 . 1 . 1 43 43 VAL N N 15 111.710 0.3 . 1 . . . . . 45 VAL N . 50355 1 387 . 1 . 1 44 44 ARG H H 1 9.035 0.020 . 1 . . . . . 46 ARG H . 50355 1 388 . 1 . 1 44 44 ARG HA H 1 5.166 0.020 . 1 . . . . . 46 ARG HA . 50355 1 389 . 1 . 1 44 44 ARG HB2 H 1 1.535 0.020 . 2 . . . . . 46 ARG HB2 . 50355 1 390 . 1 . 1 44 44 ARG HB3 H 1 1.749 0.020 . 2 . . . . . 46 ARG HB3 . 50355 1 391 . 1 . 1 44 44 ARG C C 13 173.744 0.3 . 1 . . . . . 46 ARG C . 50355 1 392 . 1 . 1 44 44 ARG CA C 13 53.685 0.3 . 1 . . . . . 46 ARG CA . 50355 1 393 . 1 . 1 44 44 ARG CB C 13 32.148 0.3 . 1 . . . . . 46 ARG CB . 50355 1 394 . 1 . 1 44 44 ARG N N 15 128.587 0.3 . 1 . . . . . 46 ARG N . 50355 1 395 . 1 . 1 45 45 VAL H H 1 8.715 0.020 . 1 . . . . . 47 VAL H . 50355 1 396 . 1 . 1 45 45 VAL HA H 1 4.605 0.020 . 1 . . . . . 47 VAL HA . 50355 1 397 . 1 . 1 45 45 VAL HB H 1 1.421 0.020 . 1 . . . . . 47 VAL HB . 50355 1 398 . 1 . 1 45 45 VAL HG11 H 1 0.264 0.020 . 2 . . . . . 47 VAL HG1 . 50355 1 399 . 1 . 1 45 45 VAL HG12 H 1 0.264 0.020 . 2 . . . . . 47 VAL HG1 . 50355 1 400 . 1 . 1 45 45 VAL HG13 H 1 0.264 0.020 . 2 . . . . . 47 VAL HG1 . 50355 1 401 . 1 . 1 45 45 VAL HG21 H 1 0.687 0.020 . 2 . . . . . 47 VAL HG2 . 50355 1 402 . 1 . 1 45 45 VAL HG22 H 1 0.687 0.020 . 2 . . . . . 47 VAL HG2 . 50355 1 403 . 1 . 1 45 45 VAL HG23 H 1 0.687 0.020 . 2 . . . . . 47 VAL HG2 . 50355 1 404 . 1 . 1 45 45 VAL C C 13 174.622 0.3 . 1 . . . . . 47 VAL C . 50355 1 405 . 1 . 1 45 45 VAL CA C 13 60.424 0.3 . 1 . . . . . 47 VAL CA . 50355 1 406 . 1 . 1 45 45 VAL CB C 13 34.037 0.3 . 1 . . . . . 47 VAL CB . 50355 1 407 . 1 . 1 45 45 VAL CG1 C 13 21.116 0.3 . 1 . . . . . 47 VAL CG1 . 50355 1 408 . 1 . 1 45 45 VAL CG2 C 13 21.642 0.3 . 1 . . . . . 47 VAL CG2 . 50355 1 409 . 1 . 1 45 45 VAL N N 15 125.384 0.3 . 1 . . . . . 47 VAL N . 50355 1 410 . 1 . 1 46 46 GLN H H 1 8.519 0.020 . 1 . . . . . 48 GLN H . 50355 1 411 . 1 . 1 46 46 GLN HA H 1 5.606 0.020 . 1 . . . . . 48 GLN HA . 50355 1 412 . 1 . 1 46 46 GLN HB2 H 1 1.398 0.020 . 2 . . . . . 48 GLN HB2 . 50355 1 413 . 1 . 1 46 46 GLN HB3 H 1 1.863 0.020 . 2 . . . . . 48 GLN HB3 . 50355 1 414 . 1 . 1 46 46 GLN C C 13 173.733 0.3 . 1 . . . . . 48 GLN C . 50355 1 415 . 1 . 1 46 46 GLN CA C 13 53.862 0.3 . 1 . . . . . 48 GLN CA . 50355 1 416 . 1 . 1 46 46 GLN CB C 13 28.937 0.3 . 1 . . . . . 48 GLN CB . 50355 1 417 . 1 . 1 46 46 GLN N N 15 130.697 0.3 . 1 . . . . . 48 GLN N . 50355 1 418 . 1 . 1 47 47 ALA H H 1 7.799 0.020 . 1 . . . . . 49 ALA H . 50355 1 419 . 1 . 1 47 47 ALA HA H 1 4.723 0.020 . 1 . . . . . 49 ALA HA . 50355 1 420 . 1 . 1 47 47 ALA HB1 H 1 1.329 0.020 . 1 . . . . . 49 ALA HB . 50355 1 421 . 1 . 1 47 47 ALA HB2 H 1 1.329 0.020 . 1 . . . . . 49 ALA HB . 50355 1 422 . 1 . 1 47 47 ALA HB3 H 1 1.329 0.020 . 1 . . . . . 49 ALA HB . 50355 1 423 . 1 . 1 47 47 ALA C C 13 175.533 0.3 . 1 . . . . . 49 ALA C . 50355 1 424 . 1 . 1 47 47 ALA CA C 13 51.418 0.3 . 1 . . . . . 49 ALA CA . 50355 1 425 . 1 . 1 47 47 ALA CB C 13 22.954 0.3 . 1 . . . . . 49 ALA CB . 50355 1 426 . 1 . 1 47 47 ALA N N 15 127.806 0.3 . 1 . . . . . 49 ALA N . 50355 1 427 . 1 . 1 48 48 LYS H H 1 8.832 0.020 . 1 . . . . . 50 LYS H . 50355 1 428 . 1 . 1 48 48 LYS HA H 1 4.450 0.020 . 1 . . . . . 50 LYS HA . 50355 1 429 . 1 . 1 48 48 LYS HB2 H 1 1.767 0.020 . 2 . . . . . 50 LYS HB2 . 50355 1 430 . 1 . 1 48 48 LYS HB3 H 1 1.936 0.020 . 2 . . . . . 50 LYS HB3 . 50355 1 431 . 1 . 1 48 48 LYS C C 13 177.696 0.3 . 1 . . . . . 50 LYS C . 50355 1 432 . 1 . 1 48 48 LYS CA C 13 55.946 0.3 . 1 . . . . . 50 LYS CA . 50355 1 433 . 1 . 1 48 48 LYS CB C 13 34.667 0.3 . 1 . . . . . 50 LYS CB . 50355 1 434 . 1 . 1 48 48 LYS CG C 13 25.191 0.3 . 1 . . . . . 50 LYS CG . 50355 1 435 . 1 . 1 48 48 LYS CD C 13 29.198 0.3 . 1 . . . . . 50 LYS CD . 50355 1 436 . 1 . 1 48 48 LYS CE C 13 42.251 0.3 . 1 . . . . . 50 LYS CE . 50355 1 437 . 1 . 1 48 48 LYS N N 15 120.774 0.3 . 1 . . . . . 50 LYS N . 50355 1 438 . 1 . 1 49 49 THR H H 1 8.613 0.020 . 1 . . . . . 51 THR H . 50355 1 439 . 1 . 1 49 49 THR CA C 13 65.097 0.3 . 1 . . . . . 51 THR CA . 50355 1 440 . 1 . 1 49 49 THR N N 15 118.430 0.3 . 1 . . . . . 51 THR N . 50355 1 441 . 1 . 1 53 53 LYS H H 1 7.666 0.020 . 1 . . . . . 55 LYS H . 50355 1 442 . 1 . 1 53 53 LYS HA H 1 3.427 0.020 . 1 . . . . . 55 LYS HA . 50355 1 443 . 1 . 1 53 53 LYS HB2 H 1 1.133 0.020 . 2 . . . . . 55 LYS HB2 . 50355 1 444 . 1 . 1 53 53 LYS HB3 H 1 1.845 0.020 . 2 . . . . . 55 LYS HB3 . 50355 1 445 . 1 . 1 53 53 LYS C C 13 176.225 0.3 . 1 . . . . . 55 LYS C . 50355 1 446 . 1 . 1 53 53 LYS CA C 13 59.488 0.3 . 1 . . . . . 55 LYS CA . 50355 1 447 . 1 . 1 53 53 LYS CB C 13 31.770 0.3 . 1 . . . . . 55 LYS CB . 50355 1 448 . 1 . 1 53 53 LYS N N 15 120.696 0.3 . 1 . . . . . 55 LYS N . 50355 1 449 . 1 . 1 54 54 THR H H 1 7.698 0.020 . 1 . . . . . 56 THR H . 50355 1 450 . 1 . 1 54 54 THR HB H 1 3.687 0.020 . 1 . . . . . 56 THR HB . 50355 1 451 . 1 . 1 54 54 THR C C 13 176.200 0.3 . 1 . . . . . 56 THR C . 50355 1 452 . 1 . 1 54 54 THR CA C 13 65.038 0.3 . 1 . . . . . 56 THR CA . 50355 1 453 . 1 . 1 54 54 THR CB C 13 66.553 0.3 . 1 . . . . . 56 THR CB . 50355 1 454 . 1 . 1 54 54 THR N N 15 114.836 0.3 . 1 . . . . . 56 THR N . 50355 1 455 . 1 . 1 55 55 ALA H H 1 7.910 0.020 . 1 . . . . . 57 ALA H . 50355 1 456 . 1 . 1 55 55 ALA HA H 1 3.632 0.020 . 1 . . . . . 57 ALA HA . 50355 1 457 . 1 . 1 55 55 ALA HB1 H 1 1.118 0.020 . 1 . . . . . 57 ALA HB . 50355 1 458 . 1 . 1 55 55 ALA HB2 H 1 1.118 0.020 . 1 . . . . . 57 ALA HB . 50355 1 459 . 1 . 1 55 55 ALA HB3 H 1 1.118 0.020 . 1 . . . . . 57 ALA HB . 50355 1 460 . 1 . 1 55 55 ALA C C 13 178.610 0.3 . 1 . . . . . 57 ALA C . 50355 1 461 . 1 . 1 55 55 ALA CA C 13 54.231 0.3 . 1 . . . . . 57 ALA CA . 50355 1 462 . 1 . 1 55 55 ALA CB C 13 16.985 0.3 . 1 . . . . . 57 ALA CB . 50355 1 463 . 1 . 1 55 55 ALA N N 15 121.360 0.3 . 1 . . . . . 57 ALA N . 50355 1 464 . 1 . 1 56 56 ALA H H 1 6.947 0.020 . 1 . . . . . 58 ALA H . 50355 1 465 . 1 . 1 56 56 ALA HA H 1 4.067 0.020 . 1 . . . . . 58 ALA HA . 50355 1 466 . 1 . 1 56 56 ALA HB1 H 1 1.348 0.020 . 1 . . . . . 58 ALA HB . 50355 1 467 . 1 . 1 56 56 ALA HB2 H 1 1.348 0.020 . 1 . . . . . 58 ALA HB . 50355 1 468 . 1 . 1 56 56 ALA HB3 H 1 1.348 0.020 . 1 . . . . . 58 ALA HB . 50355 1 469 . 1 . 1 56 56 ALA C C 13 176.682 0.3 . 1 . . . . . 58 ALA C . 50355 1 470 . 1 . 1 56 56 ALA CA C 13 54.643 0.3 . 1 . . . . . 58 ALA CA . 50355 1 471 . 1 . 1 56 56 ALA CB C 13 17.508 0.3 . 1 . . . . . 58 ALA CB . 50355 1 472 . 1 . 1 56 56 ALA N N 15 116.945 0.3 . 1 . . . . . 58 ALA N . 50355 1 473 . 1 . 1 57 57 PHE H H 1 7.580 0.020 . 1 . . . . . 59 PHE H . 50355 1 474 . 1 . 1 57 57 PHE HA H 1 4.473 0.020 . 1 . . . . . 59 PHE HA . 50355 1 475 . 1 . 1 57 57 PHE HB2 H 1 2.753 0.020 . 2 . . . . . 59 PHE HB2 . 50355 1 476 . 1 . 1 57 57 PHE HB3 H 1 3.068 0.020 . 2 . . . . . 59 PHE HB3 . 50355 1 477 . 1 . 1 57 57 PHE C C 13 177.621 0.3 . 1 . . . . . 59 PHE C . 50355 1 478 . 1 . 1 57 57 PHE CA C 13 58.597 0.3 . 1 . . . . . 59 PHE CA . 50355 1 479 . 1 . 1 57 57 PHE CB C 13 38.257 0.3 . 1 . . . . . 59 PHE CB . 50355 1 480 . 1 . 1 57 57 PHE N N 15 109.210 0.3 . 1 . . . . . 59 PHE N . 50355 1 481 . 1 . 1 58 58 GLY H H 1 8.660 0.020 . 1 . . . . . 60 GLY H . 50355 1 482 . 1 . 1 58 58 GLY HA2 H 1 3.241 0.020 . 2 . . . . . 60 GLY HA2 . 50355 1 483 . 1 . 1 58 58 GLY HA3 H 1 3.446 0.020 . 2 . . . . . 60 GLY HA3 . 50355 1 484 . 1 . 1 58 58 GLY C C 13 174.235 0.3 . 1 . . . . . 60 GLY C . 50355 1 485 . 1 . 1 58 58 GLY CA C 13 47.640 0.3 . 1 . . . . . 60 GLY CA . 50355 1 486 . 1 . 1 58 58 GLY N N 15 115.070 0.3 . 1 . . . . . 60 GLY N . 50355 1 487 . 1 . 1 59 59 LEU H H 1 7.995 0.020 . 1 . . . . . 61 LEU H . 50355 1 488 . 1 . 1 59 59 LEU HA H 1 3.898 0.020 . 1 . . . . . 61 LEU HA . 50355 1 489 . 1 . 1 59 59 LEU HB2 H 1 1.074 0.020 . 2 . . . . . 61 LEU HB2 . 50355 1 490 . 1 . 1 59 59 LEU HB3 H 1 1.909 0.020 . 2 . . . . . 61 LEU HB3 . 50355 1 491 . 1 . 1 59 59 LEU HD11 H 1 0.573 0.020 . 2 . . . . . 61 LEU HD1 . 50355 1 492 . 1 . 1 59 59 LEU HD12 H 1 0.573 0.020 . 2 . . . . . 61 LEU HD1 . 50355 1 493 . 1 . 1 59 59 LEU HD13 H 1 0.573 0.020 . 2 . . . . . 61 LEU HD1 . 50355 1 494 . 1 . 1 59 59 LEU HD21 H 1 0.636 0.020 . 2 . . . . . 61 LEU HD2 . 50355 1 495 . 1 . 1 59 59 LEU HD22 H 1 0.636 0.020 . 2 . . . . . 61 LEU HD2 . 50355 1 496 . 1 . 1 59 59 LEU HD23 H 1 0.636 0.020 . 2 . . . . . 61 LEU HD2 . 50355 1 497 . 1 . 1 59 59 LEU C C 13 179.620 0.3 . 1 . . . . . 61 LEU C . 50355 1 498 . 1 . 1 59 59 LEU CA C 13 58.094 0.3 . 1 . . . . . 61 LEU CA . 50355 1 499 . 1 . 1 59 59 LEU CB C 13 41.464 0.3 . 1 . . . . . 61 LEU CB . 50355 1 500 . 1 . 1 59 59 LEU CD1 C 13 23.937 0.3 . 1 . . . . . 61 LEU CD1 . 50355 1 501 . 1 . 1 59 59 LEU CD2 C 13 26.034 0.3 . 1 . . . . . 61 LEU CD2 . 50355 1 502 . 1 . 1 59 59 LEU N N 15 119.992 0.3 . 1 . . . . . 61 LEU N . 50355 1 503 . 1 . 1 60 60 GLY H H 1 6.900 0.020 . 1 . . . . . 62 GLY H . 50355 1 504 . 1 . 1 60 60 GLY HA2 H 1 3.414 0.020 . 2 . . . . . 62 GLY HA2 . 50355 1 505 . 1 . 1 60 60 GLY HA3 H 1 3.638 0.020 . 2 . . . . . 62 GLY HA3 . 50355 1 506 . 1 . 1 60 60 GLY C C 13 175.039 0.3 . 1 . . . . . 62 GLY C . 50355 1 507 . 1 . 1 60 60 GLY CA C 13 47.703 0.3 . 1 . . . . . 62 GLY CA . 50355 1 508 . 1 . 1 60 60 GLY N N 15 101.709 0.3 . 1 . . . . . 62 GLY N . 50355 1 509 . 1 . 1 61 61 LEU H H 1 8.355 0.020 . 1 . . . . . 63 LEU H . 50355 1 510 . 1 . 1 61 61 LEU C C 13 179.495 0.3 . 1 . . . . . 63 LEU C . 50355 1 511 . 1 . 1 61 61 LEU CA C 13 57.968 0.3 . 1 . . . . . 63 LEU CA . 50355 1 512 . 1 . 1 61 61 LEU CB C 13 40.776 0.3 . 1 . . . . . 63 LEU CB . 50355 1 513 . 1 . 1 61 61 LEU N N 15 121.321 0.3 . 1 . . . . . 63 LEU N . 50355 1 514 . 1 . 1 63 63 GLN H H 1 7.120 0.020 . 1 . . . . . 65 GLN H . 50355 1 515 . 1 . 1 63 63 GLN HA H 1 4.171 0.020 . 1 . . . . . 65 GLN HA . 50355 1 516 . 1 . 1 63 63 GLN HB2 H 1 2.110 0.020 . 1 . . . . . 65 GLN HB2 . 50355 1 517 . 1 . 1 63 63 GLN HB3 H 1 2.110 0.020 . 1 . . . . . 65 GLN HB3 . 50355 1 518 . 1 . 1 63 63 GLN C C 13 176.349 0.3 . 1 . . . . . 65 GLN C . 50355 1 519 . 1 . 1 63 63 GLN CA C 13 56.838 0.3 . 1 . . . . . 65 GLN CA . 50355 1 520 . 1 . 1 63 63 GLN CB C 13 29.050 0.3 . 1 . . . . . 65 GLN CB . 50355 1 521 . 1 . 1 63 63 GLN N N 15 117.492 0.3 . 1 . . . . . 65 GLN N . 50355 1 522 . 1 . 1 64 64 GLN H H 1 7.064 0.020 . 1 . . . . . 66 GLN H . 50355 1 523 . 1 . 1 64 64 GLN HA H 1 4.504 0.020 . 1 . . . . . 66 GLN HA . 50355 1 524 . 1 . 1 64 64 GLN HB2 H 1 1.781 0.020 . 2 . . . . . 66 GLN HB2 . 50355 1 525 . 1 . 1 64 64 GLN HB3 H 1 2.301 0.020 . 2 . . . . . 66 GLN HB3 . 50355 1 526 . 1 . 1 64 64 GLN C C 13 175.446 0.3 . 1 . . . . . 66 GLN C . 50355 1 527 . 1 . 1 64 64 GLN CA C 13 54.378 0.3 . 1 . . . . . 66 GLN CA . 50355 1 528 . 1 . 1 64 64 GLN CB C 13 29.440 0.3 . 1 . . . . . 66 GLN CB . 50355 1 529 . 1 . 1 64 64 GLN N N 15 114.367 0.3 . 1 . . . . . 66 GLN N . 50355 1 530 . 1 . 1 65 65 ILE H H 1 6.751 0.020 . 1 . . . . . 67 ILE H . 50355 1 531 . 1 . 1 65 65 ILE HA H 1 4.076 0.020 . 1 . . . . . 67 ILE HA . 50355 1 532 . 1 . 1 65 65 ILE HB H 1 1.749 0.020 . 1 . . . . . 67 ILE HB . 50355 1 533 . 1 . 1 65 65 ILE HG12 H 1 1.170 0.020 . 1 . . . . . 67 ILE HG12 . 50355 1 534 . 1 . 1 65 65 ILE HG21 H 1 0.475 0.020 . 1 . . . . . 67 ILE HG2 . 50355 1 535 . 1 . 1 65 65 ILE HG22 H 1 0.475 0.020 . 1 . . . . . 67 ILE HG2 . 50355 1 536 . 1 . 1 65 65 ILE HG23 H 1 0.475 0.020 . 1 . . . . . 67 ILE HG2 . 50355 1 537 . 1 . 1 65 65 ILE HD11 H 1 0.541 0.020 . 1 . . . . . 67 ILE HD1 . 50355 1 538 . 1 . 1 65 65 ILE HD12 H 1 0.541 0.020 . 1 . . . . . 67 ILE HD1 . 50355 1 539 . 1 . 1 65 65 ILE HD13 H 1 0.541 0.020 . 1 . . . . . 67 ILE HD1 . 50355 1 540 . 1 . 1 65 65 ILE C C 13 174.705 0.3 . 1 . . . . . 67 ILE C . 50355 1 541 . 1 . 1 65 65 ILE CA C 13 59.668 0.3 . 1 . . . . . 67 ILE CA . 50355 1 542 . 1 . 1 65 65 ILE CB C 13 38.509 0.3 . 1 . . . . . 67 ILE CB . 50355 1 543 . 1 . 1 65 65 ILE CG1 C 13 27.653 0.3 . 1 . . . . . 67 ILE CG1 . 50355 1 544 . 1 . 1 65 65 ILE CG2 C 13 16.890 0.3 . 1 . . . . . 67 ILE CG2 . 50355 1 545 . 1 . 1 65 65 ILE CD1 C 13 12.482 0.3 . 1 . . . . . 67 ILE CD1 . 50355 1 546 . 1 . 1 65 65 ILE N N 15 118.664 0.3 . 1 . . . . . 67 ILE N . 50355 1 547 . 1 . 1 66 66 ASP H H 1 9.355 0.020 . 1 . . . . . 68 ASP H . 50355 1 548 . 1 . 1 66 66 ASP HA H 1 4.705 0.020 . 1 . . . . . 68 ASP HA . 50355 1 549 . 1 . 1 66 66 ASP HB2 H 1 2.447 0.020 . 2 . . . . . 68 ASP HB2 . 50355 1 550 . 1 . 1 66 66 ASP HB3 H 1 2.871 0.020 . 2 . . . . . 68 ASP HB3 . 50355 1 551 . 1 . 1 66 66 ASP C C 13 177.655 0.3 . 1 . . . . . 68 ASP C . 50355 1 552 . 1 . 1 66 66 ASP CA C 13 51.992 0.3 . 1 . . . . . 68 ASP CA . 50355 1 553 . 1 . 1 66 66 ASP CB C 13 40.713 0.3 . 1 . . . . . 68 ASP CB . 50355 1 554 . 1 . 1 66 66 ASP N N 15 126.501 0.3 . 1 . . . . . 68 ASP N . 50355 1 555 . 1 . 1 67 67 ALA H H 1 8.636 0.020 . 1 . . . . . 69 ALA H . 50355 1 556 . 1 . 1 67 67 ALA HA H 1 3.300 0.020 . 1 . . . . . 69 ALA HA . 50355 1 557 . 1 . 1 67 67 ALA HB1 H 1 0.956 0.020 . 1 . . . . . 69 ALA HB . 50355 1 558 . 1 . 1 67 67 ALA HB2 H 1 0.956 0.020 . 1 . . . . . 69 ALA HB . 50355 1 559 . 1 . 1 67 67 ALA HB3 H 1 0.956 0.020 . 1 . . . . . 69 ALA HB . 50355 1 560 . 1 . 1 67 67 ALA C C 13 178.052 0.3 . 1 . . . . . 69 ALA C . 50355 1 561 . 1 . 1 67 67 ALA CA C 13 53.182 0.3 . 1 . . . . . 69 ALA CA . 50355 1 562 . 1 . 1 67 67 ALA CB C 13 17.654 0.3 . 1 . . . . . 69 ALA CB . 50355 1 563 . 1 . 1 67 67 ALA N N 15 128.275 0.3 . 1 . . . . . 69 ALA N . 50355 1 564 . 1 . 1 68 68 SER H H 1 8.292 0.020 . 1 . . . . . 70 SER H . 50355 1 565 . 1 . 1 68 68 SER HA H 1 4.089 0.020 . 1 . . . . . 70 SER HA . 50355 1 566 . 1 . 1 68 68 SER HB2 H 1 3.724 0.020 . 2 . . . . . 70 SER HB2 . 50355 1 567 . 1 . 1 68 68 SER HB3 H 1 3.870 0.020 . 2 . . . . . 70 SER HB3 . 50355 1 568 . 1 . 1 68 68 SER C C 13 172.592 0.3 . 1 . . . . . 70 SER C . 50355 1 569 . 1 . 1 68 68 SER CA C 13 59.479 0.3 . 1 . . . . . 70 SER CA . 50355 1 570 . 1 . 1 68 68 SER CB C 13 63.698 0.3 . 1 . . . . . 70 SER CB . 50355 1 571 . 1 . 1 68 68 SER N N 15 114.211 0.3 . 1 . . . . . 70 SER N . 50355 1 572 . 1 . 1 69 69 LEU H H 1 7.041 0.020 . 1 . . . . . 71 LEU H . 50355 1 573 . 1 . 1 69 69 LEU HA H 1 4.358 0.020 . 1 . . . . . 71 LEU HA . 50355 1 574 . 1 . 1 69 69 LEU HB2 H 1 1.293 0.020 . 2 . . . . . 71 LEU HB2 . 50355 1 575 . 1 . 1 69 69 LEU HB3 H 1 1.676 0.020 . 2 . . . . . 71 LEU HB3 . 50355 1 576 . 1 . 1 69 69 LEU HG H 1 1.165 0.020 . 1 . . . . . 71 LEU HG . 50355 1 577 . 1 . 1 69 69 LEU HD11 H 1 0.766 0.020 . 2 . . . . . 71 LEU HD1 . 50355 1 578 . 1 . 1 69 69 LEU HD12 H 1 0.766 0.020 . 2 . . . . . 71 LEU HD1 . 50355 1 579 . 1 . 1 69 69 LEU HD13 H 1 0.766 0.020 . 2 . . . . . 71 LEU HD1 . 50355 1 580 . 1 . 1 69 69 LEU HD21 H 1 0.698 0.020 . 2 . . . . . 71 LEU HD2 . 50355 1 581 . 1 . 1 69 69 LEU HD22 H 1 0.698 0.020 . 2 . . . . . 71 LEU HD2 . 50355 1 582 . 1 . 1 69 69 LEU HD23 H 1 0.698 0.020 . 2 . . . . . 71 LEU HD2 . 50355 1 583 . 1 . 1 69 69 LEU C C 13 175.898 0.3 . 1 . . . . . 71 LEU C . 50355 1 584 . 1 . 1 69 69 LEU CA C 13 53.308 0.3 . 1 . . . . . 71 LEU CA . 50355 1 585 . 1 . 1 69 69 LEU CB C 13 42.728 0.3 . 1 . . . . . 71 LEU CB . 50355 1 586 . 1 . 1 69 69 LEU CD1 C 13 23.929 0.3 . 1 . . . . . 71 LEU CD1 . 50355 1 587 . 1 . 1 69 69 LEU CD2 C 13 24.178 0.3 . 1 . . . . . 71 LEU CD2 . 50355 1 588 . 1 . 1 69 69 LEU N N 15 124.837 0.3 . 1 . . . . . 71 LEU N . 50355 1 589 . 1 . 1 70 70 PHE H H 1 8.683 0.020 . 1 . . . . . 72 PHE H . 50355 1 590 . 1 . 1 70 70 PHE HA H 1 4.254 0.020 . 1 . . . . . 72 PHE HA . 50355 1 591 . 1 . 1 70 70 PHE HB2 H 1 2.744 0.020 . 2 . . . . . 72 PHE HB2 . 50355 1 592 . 1 . 1 70 70 PHE HB3 H 1 2.999 0.020 . 2 . . . . . 72 PHE HB3 . 50355 1 593 . 1 . 1 70 70 PHE C C 13 175.145 0.3 . 1 . . . . . 72 PHE C . 50355 1 594 . 1 . 1 70 70 PHE CA C 13 56.708 0.3 . 1 . . . . . 72 PHE CA . 50355 1 595 . 1 . 1 70 70 PHE CB C 13 35.549 0.3 . 1 . . . . . 72 PHE CB . 50355 1 596 . 1 . 1 70 70 PHE N N 15 128.822 0.3 . 1 . . . . . 72 PHE N . 50355 1 597 . 1 . 1 71 71 GLN H H 1 7.518 0.020 . 1 . . . . . 73 GLN H . 50355 1 598 . 1 . 1 71 71 GLN HA H 1 4.345 0.020 . 1 . . . . . 73 GLN HA . 50355 1 599 . 1 . 1 71 71 GLN C C 13 175.039 0.3 . 1 . . . . . 73 GLN C . 50355 1 600 . 1 . 1 71 71 GLN CA C 13 53.748 0.3 . 1 . . . . . 73 GLN CA . 50355 1 601 . 1 . 1 71 71 GLN CB C 13 33.786 0.3 . 1 . . . . . 73 GLN CB . 50355 1 602 . 1 . 1 71 71 GLN N N 15 117.961 0.3 . 1 . . . . . 73 GLN N . 50355 1 603 . 1 . 1 72 72 THR H H 1 8.910 0.020 . 1 . . . . . 74 THR H . 50355 1 604 . 1 . 1 72 72 THR HA H 1 4.577 0.020 . 1 . . . . . 74 THR HA . 50355 1 605 . 1 . 1 72 72 THR HB H 1 3.898 0.020 . 1 . . . . . 74 THR HB . 50355 1 606 . 1 . 1 72 72 THR C C 13 174.915 0.3 . 1 . . . . . 74 THR C . 50355 1 607 . 1 . 1 72 72 THR CA C 13 64.265 0.3 . 1 . . . . . 74 THR CA . 50355 1 608 . 1 . 1 72 72 THR CB C 13 68.925 0.3 . 1 . . . . . 74 THR CB . 50355 1 609 . 1 . 1 72 72 THR N N 15 120.383 0.3 . 1 . . . . . 74 THR N . 50355 1 610 . 1 . 1 73 73 GLN H H 1 9.168 0.020 . 1 . . . . . 75 GLN H . 50355 1 611 . 1 . 1 73 73 GLN HA H 1 4.692 0.020 . 1 . . . . . 75 GLN HA . 50355 1 612 . 1 . 1 73 73 GLN C C 13 175.145 0.3 . 1 . . . . . 75 GLN C . 50355 1 613 . 1 . 1 73 73 GLN CA C 13 56.330 0.3 . 1 . . . . . 75 GLN CA . 50355 1 614 . 1 . 1 73 73 GLN CB C 13 34.604 0.3 . 1 . . . . . 75 GLN CB . 50355 1 615 . 1 . 1 73 73 GLN N N 15 128.822 0.3 . 1 . . . . . 75 GLN N . 50355 1 616 . 1 . 1 74 74 ALA H H 1 7.950 0.020 . 1 . . . . . 76 ALA H . 50355 1 617 . 1 . 1 74 74 ALA HA H 1 5.403 0.020 . 1 . . . . . 76 ALA HA . 50355 1 618 . 1 . 1 74 74 ALA HB1 H 1 1.412 0.020 . 1 . . . . . 76 ALA HB . 50355 1 619 . 1 . 1 74 74 ALA HB2 H 1 1.412 0.020 . 1 . . . . . 76 ALA HB . 50355 1 620 . 1 . 1 74 74 ALA HB3 H 1 1.412 0.020 . 1 . . . . . 76 ALA HB . 50355 1 621 . 1 . 1 74 74 ALA C C 13 173.927 0.3 . 1 . . . . . 76 ALA C . 50355 1 622 . 1 . 1 74 74 ALA CA C 13 51.103 0.3 . 1 . . . . . 76 ALA CA . 50355 1 623 . 1 . 1 74 74 ALA CB C 13 24.276 0.3 . 1 . . . . . 76 ALA CB . 50355 1 624 . 1 . 1 74 74 ALA N N 15 122.640 0.3 . 1 . . . . . 76 ALA N . 50355 1 625 . 1 . 1 75 75 LEU H H 1 7.910 0.020 . 1 . . . . . 77 LEU H . 50355 1 626 . 1 . 1 75 75 LEU HA H 1 5.335 0.020 . 1 . . . . . 77 LEU HA . 50355 1 627 . 1 . 1 75 75 LEU HB2 H 1 1.599 0.020 . 2 . . . . . 77 LEU HB2 . 50355 1 628 . 1 . 1 75 75 LEU HB3 H 1 1.083 0.020 . 2 . . . . . 77 LEU HB3 . 50355 1 629 . 1 . 1 75 75 LEU HG H 1 1.151 0.020 . 1 . . . . . 77 LEU HG . 50355 1 630 . 1 . 1 75 75 LEU HD11 H 1 0.577 0.020 . 2 . . . . . 77 LEU HD1 . 50355 1 631 . 1 . 1 75 75 LEU HD12 H 1 0.577 0.020 . 2 . . . . . 77 LEU HD1 . 50355 1 632 . 1 . 1 75 75 LEU HD13 H 1 0.577 0.020 . 2 . . . . . 77 LEU HD1 . 50355 1 633 . 1 . 1 75 75 LEU HD21 H 1 0.659 0.020 . 2 . . . . . 77 LEU HD2 . 50355 1 634 . 1 . 1 75 75 LEU HD22 H 1 0.659 0.020 . 2 . . . . . 77 LEU HD2 . 50355 1 635 . 1 . 1 75 75 LEU HD23 H 1 0.659 0.020 . 2 . . . . . 77 LEU HD2 . 50355 1 636 . 1 . 1 75 75 LEU C C 13 173.382 0.3 . 1 . . . . . 77 LEU C . 50355 1 637 . 1 . 1 75 75 LEU CA C 13 52.510 0.3 . 1 . . . . . 77 LEU CA . 50355 1 638 . 1 . 1 75 75 LEU CB C 13 47.496 0.3 . 1 . . . . . 77 LEU CB . 50355 1 639 . 1 . 1 75 75 LEU CG C 13 27.710 0.3 . 1 . . . . . 77 LEU CG . 50355 1 640 . 1 . 1 75 75 LEU CD1 C 13 26.041 0.3 . 1 . . . . . 77 LEU CD1 . 50355 1 641 . 1 . 1 75 75 LEU CD2 C 13 23.871 0.3 . 1 . . . . . 77 LEU CD2 . 50355 1 642 . 1 . 1 75 75 LEU N N 15 121.811 0.3 . 1 . . . . . 77 LEU N . 50355 1 643 . 1 . 1 76 76 VAL H H 1 9.067 0.020 . 1 . . . . . 78 VAL H . 50355 1 644 . 1 . 1 76 76 VAL HA H 1 4.600 0.020 . 1 . . . . . 78 VAL HA . 50355 1 645 . 1 . 1 76 76 VAL HB H 1 1.973 0.020 . 1 . . . . . 78 VAL HB . 50355 1 646 . 1 . 1 76 76 VAL HG11 H 1 0.514 0.020 . 2 . . . . . 78 VAL HG1 . 50355 1 647 . 1 . 1 76 76 VAL HG12 H 1 0.514 0.020 . 2 . . . . . 78 VAL HG1 . 50355 1 648 . 1 . 1 76 76 VAL HG13 H 1 0.514 0.020 . 2 . . . . . 78 VAL HG1 . 50355 1 649 . 1 . 1 76 76 VAL HG21 H 1 0.500 0.020 . 2 . . . . . 78 VAL HG2 . 50355 1 650 . 1 . 1 76 76 VAL HG22 H 1 0.500 0.020 . 2 . . . . . 78 VAL HG2 . 50355 1 651 . 1 . 1 76 76 VAL HG23 H 1 0.500 0.020 . 2 . . . . . 78 VAL HG2 . 50355 1 652 . 1 . 1 76 76 VAL C C 13 173.865 0.3 . 1 . . . . . 78 VAL C . 50355 1 653 . 1 . 1 76 76 VAL CA C 13 60.172 0.3 . 1 . . . . . 78 VAL CA . 50355 1 654 . 1 . 1 76 76 VAL CB C 13 33.660 0.3 . 1 . . . . . 78 VAL CB . 50355 1 655 . 1 . 1 76 76 VAL CG1 C 13 19.758 0.3 . 1 . . . . . 78 VAL CG1 . 50355 1 656 . 1 . 1 76 76 VAL CG2 C 13 20.725 0.3 . 1 . . . . . 78 VAL CG2 . 50355 1 657 . 1 . 1 76 76 VAL N N 15 127.025 0.3 . 1 . . . . . 78 VAL N . 50355 1 658 . 1 . 1 77 77 LEU H H 1 8.981 0.020 . 1 . . . . . 79 LEU H . 50355 1 659 . 1 . 1 77 77 LEU HA H 1 5.202 0.020 . 1 . . . . . 79 LEU HA . 50355 1 660 . 1 . 1 77 77 LEU HB2 H 1 1.066 0.020 . 2 . . . . . 79 LEU HB2 . 50355 1 661 . 1 . 1 77 77 LEU HB3 H 1 1.662 0.020 . 2 . . . . . 79 LEU HB3 . 50355 1 662 . 1 . 1 77 77 LEU HD11 H 1 0.573 0.020 . 2 . . . . . 79 LEU HD1 . 50355 1 663 . 1 . 1 77 77 LEU HD12 H 1 0.573 0.020 . 2 . . . . . 79 LEU HD1 . 50355 1 664 . 1 . 1 77 77 LEU HD13 H 1 0.573 0.020 . 2 . . . . . 79 LEU HD1 . 50355 1 665 . 1 . 1 77 77 LEU HD21 H 1 0.663 0.020 . 2 . . . . . 79 LEU HD2 . 50355 1 666 . 1 . 1 77 77 LEU HD22 H 1 0.663 0.020 . 2 . . . . . 79 LEU HD2 . 50355 1 667 . 1 . 1 77 77 LEU HD23 H 1 0.663 0.020 . 2 . . . . . 79 LEU HD2 . 50355 1 668 . 1 . 1 77 77 LEU C C 13 174.334 0.3 . 1 . . . . . 79 LEU C . 50355 1 669 . 1 . 1 77 77 LEU CA C 13 52.678 0.3 . 1 . . . . . 79 LEU CA . 50355 1 670 . 1 . 1 77 77 LEU CB C 13 44.432 0.3 . 1 . . . . . 79 LEU CB . 50355 1 671 . 1 . 1 77 77 LEU CD1 C 13 24.046 0.3 . 1 . . . . . 79 LEU CD1 . 50355 1 672 . 1 . 1 77 77 LEU CD2 C 13 25.534 0.3 . 1 . . . . . 79 LEU CD2 . 50355 1 673 . 1 . 1 77 77 LEU N N 15 126.712 0.3 . 1 . . . . . 79 LEU N . 50355 1 674 . 1 . 1 78 78 CYS H H 1 8.401 0.020 . 1 . . . . . 80 CYS H . 50355 1 675 . 1 . 1 78 78 CYS C C 13 173.075 0.3 . 1 . . . . . 80 CYS C . 50355 1 676 . 1 . 1 78 78 CYS CA C 13 55.719 0.3 . 1 . . . . . 80 CYS CA . 50355 1 677 . 1 . 1 78 78 CYS CB C 13 32.148 0.3 . 1 . . . . . 80 CYS CB . 50355 1 678 . 1 . 1 78 78 CYS N N 15 118.353 0.3 . 1 . . . . . 80 CYS N . 50355 1 679 . 1 . 1 80 80 THR H H 1 6.280 0.020 . 1 . . . . . 82 THR H . 50355 1 680 . 1 . 1 80 80 THR HA H 1 4.682 0.020 . 1 . . . . . 82 THR HA . 50355 1 681 . 1 . 1 80 80 THR C C 13 173.692 0.3 . 1 . . . . . 82 THR C . 50355 1 682 . 1 . 1 80 80 THR CA C 13 57.837 0.3 . 1 . . . . . 82 THR CA . 50355 1 683 . 1 . 1 80 80 THR CB C 13 73.078 0.3 . 1 . . . . . 82 THR CB . 50355 1 684 . 1 . 1 80 80 THR N N 15 100.672 0.3 . 1 . . . . . 82 THR N . 50355 1 685 . 1 . 1 81 81 ARG H H 1 8.918 0.020 . 1 . . . . . 83 ARG H . 50355 1 686 . 1 . 1 81 81 ARG HA H 1 4.126 0.020 . 1 . . . . . 83 ARG HA . 50355 1 687 . 1 . 1 81 81 ARG C C 13 177.153 0.3 . 1 . . . . . 83 ARG C . 50355 1 688 . 1 . 1 81 81 ARG CA C 13 58.344 0.3 . 1 . . . . . 83 ARG CA . 50355 1 689 . 1 . 1 81 81 ARG CB C 13 29.692 0.3 . 1 . . . . . 83 ARG CB . 50355 1 690 . 1 . 1 81 81 ARG N N 15 123.509 0.3 . 1 . . . . . 83 ARG N . 50355 1 691 . 1 . 1 82 82 GLU H H 1 8.797 0.020 . 1 . . . . . 84 GLU H . 50355 1 692 . 1 . 1 82 82 GLU HA H 1 3.939 0.020 . 1 . . . . . 84 GLU HA . 50355 1 693 . 1 . 1 82 82 GLU HB2 H 1 1.804 0.020 . 2 . . . . . 84 GLU HB2 . 50355 1 694 . 1 . 1 82 82 GLU HB3 H 1 1.977 0.020 . 2 . . . . . 84 GLU HB3 . 50355 1 695 . 1 . 1 82 82 GLU C C 13 179.683 0.3 . 1 . . . . . 84 GLU C . 50355 1 696 . 1 . 1 82 82 GLU CA C 13 60.675 0.3 . 1 . . . . . 84 GLU CA . 50355 1 697 . 1 . 1 82 82 GLU CB C 13 28.685 0.3 . 1 . . . . . 84 GLU CB . 50355 1 698 . 1 . 1 82 82 GLU N N 15 119.083 0.3 . 1 . . . . . 84 GLU N . 50355 1 699 . 1 . 1 83 83 LEU H H 1 7.706 0.020 . 1 . . . . . 85 LEU H . 50355 1 700 . 1 . 1 83 83 LEU HA H 1 4.162 0.020 . 1 . . . . . 85 LEU HA . 50355 1 701 . 1 . 1 83 83 LEU HB2 H 1 1.463 0.020 . 1 . . . . . 85 LEU HB2 . 50355 1 702 . 1 . 1 83 83 LEU HB3 H 1 1.463 0.020 . 1 . . . . . 85 LEU HB3 . 50355 1 703 . 1 . 1 83 83 LEU HG H 1 1.585 0.020 . 1 . . . . . 85 LEU HG . 50355 1 704 . 1 . 1 83 83 LEU HD11 H 1 0.888 0.020 . 2 . . . . . 85 LEU HD1 . 50355 1 705 . 1 . 1 83 83 LEU HD12 H 1 0.888 0.020 . 2 . . . . . 85 LEU HD1 . 50355 1 706 . 1 . 1 83 83 LEU HD13 H 1 0.888 0.020 . 2 . . . . . 85 LEU HD1 . 50355 1 707 . 1 . 1 83 83 LEU HD21 H 1 0.851 0.020 . 2 . . . . . 85 LEU HD2 . 50355 1 708 . 1 . 1 83 83 LEU HD22 H 1 0.851 0.020 . 2 . . . . . 85 LEU HD2 . 50355 1 709 . 1 . 1 83 83 LEU HD23 H 1 0.851 0.020 . 2 . . . . . 85 LEU HD2 . 50355 1 710 . 1 . 1 83 83 LEU C C 13 178.094 0.3 . 1 . . . . . 85 LEU C . 50355 1 711 . 1 . 1 83 83 LEU CA C 13 57.338 0.3 . 1 . . . . . 85 LEU CA . 50355 1 712 . 1 . 1 83 83 LEU CB C 13 41.657 0.3 . 1 . . . . . 85 LEU CB . 50355 1 713 . 1 . 1 83 83 LEU CG C 13 26.969 0.3 . 1 . . . . . 85 LEU CG . 50355 1 714 . 1 . 1 83 83 LEU CD1 C 13 23.300 0.3 . 1 . . . . . 85 LEU CD1 . 50355 1 715 . 1 . 1 83 83 LEU CD2 C 13 25.093 0.3 . 1 . . . . . 85 LEU CD2 . 50355 1 716 . 1 . 1 83 83 LEU N N 15 121.008 0.3 . 1 . . . . . 85 LEU N . 50355 1 717 . 1 . 1 84 84 ALA H H 1 7.932 0.020 . 1 . . . . . 86 ALA H . 50355 1 718 . 1 . 1 84 84 ALA HA H 1 3.948 0.020 . 1 . . . . . 86 ALA HA . 50355 1 719 . 1 . 1 84 84 ALA HB1 H 1 1.087 0.020 . 1 . . . . . 86 ALA HB . 50355 1 720 . 1 . 1 84 84 ALA HB2 H 1 1.087 0.020 . 1 . . . . . 86 ALA HB . 50355 1 721 . 1 . 1 84 84 ALA HB3 H 1 1.087 0.020 . 1 . . . . . 86 ALA HB . 50355 1 722 . 1 . 1 84 84 ALA C C 13 179.139 0.3 . 1 . . . . . 86 ALA C . 50355 1 723 . 1 . 1 84 84 ALA CA C 13 55.260 0.3 . 1 . . . . . 86 ALA CA . 50355 1 724 . 1 . 1 84 84 ALA CB C 13 18.479 0.3 . 1 . . . . . 86 ALA CB . 50355 1 725 . 1 . 1 84 84 ALA N N 15 121.868 0.3 . 1 . . . . . 86 ALA N . 50355 1 726 . 1 . 1 85 85 ASP H H 1 8.488 0.020 . 1 . . . . . 87 ASP H . 50355 1 727 . 1 . 1 85 85 ASP HA H 1 4.304 0.020 . 1 . . . . . 87 ASP HA . 50355 1 728 . 1 . 1 85 85 ASP HB2 H 1 2.470 0.020 . 2 . . . . . 87 ASP HB2 . 50355 1 729 . 1 . 1 85 85 ASP HB3 H 1 2.616 0.020 . 2 . . . . . 87 ASP HB3 . 50355 1 730 . 1 . 1 85 85 ASP C C 13 180.192 0.3 . 1 . . . . . 87 ASP C . 50355 1 731 . 1 . 1 85 85 ASP CA C 13 57.489 0.3 . 1 . . . . . 87 ASP CA . 50355 1 732 . 1 . 1 85 85 ASP CB C 13 40.278 0.3 . 1 . . . . . 87 ASP CB . 50355 1 733 . 1 . 1 85 85 ASP N N 15 117.258 0.3 . 1 . . . . . 87 ASP N . 50355 1 734 . 1 . 1 86 86 GLN H H 1 7.533 0.020 . 1 . . . . . 88 GLN H . 50355 1 735 . 1 . 1 86 86 GLN HA H 1 3.989 0.020 . 1 . . . . . 88 GLN HA . 50355 1 736 . 1 . 1 86 86 GLN HB2 H 1 2.160 0.020 . 1 . . . . . 88 GLN HB2 . 50355 1 737 . 1 . 1 86 86 GLN HB3 H 1 2.160 0.020 . 1 . . . . . 88 GLN HB3 . 50355 1 738 . 1 . 1 86 86 GLN C C 13 179.620 0.3 . 1 . . . . . 88 GLN C . 50355 1 739 . 1 . 1 86 86 GLN CA C 13 59.101 0.3 . 1 . . . . . 88 GLN CA . 50355 1 740 . 1 . 1 86 86 GLN CB C 13 28.874 0.3 . 1 . . . . . 88 GLN CB . 50355 1 741 . 1 . 1 86 86 GLN N N 15 122.649 0.3 . 1 . . . . . 88 GLN N . 50355 1 742 . 1 . 1 87 87 VAL H H 1 8.989 0.020 . 1 . . . . . 89 VAL H . 50355 1 743 . 1 . 1 87 87 VAL HA H 1 3.606 0.020 . 1 . . . . . 89 VAL HA . 50355 1 744 . 1 . 1 87 87 VAL HB H 1 2.121 0.020 . 1 . . . . . 89 VAL HB . 50355 1 745 . 1 . 1 87 87 VAL HG11 H 1 0.883 0.020 . 2 . . . . . 89 VAL HG1 . 50355 1 746 . 1 . 1 87 87 VAL HG12 H 1 0.883 0.020 . 2 . . . . . 89 VAL HG1 . 50355 1 747 . 1 . 1 87 87 VAL HG13 H 1 0.883 0.020 . 2 . . . . . 89 VAL HG1 . 50355 1 748 . 1 . 1 87 87 VAL HG21 H 1 1.065 0.020 . 2 . . . . . 89 VAL HG2 . 50355 1 749 . 1 . 1 87 87 VAL HG22 H 1 1.065 0.020 . 2 . . . . . 89 VAL HG2 . 50355 1 750 . 1 . 1 87 87 VAL HG23 H 1 1.065 0.020 . 2 . . . . . 89 VAL HG2 . 50355 1 751 . 1 . 1 87 87 VAL C C 13 177.968 0.3 . 1 . . . . . 89 VAL C . 50355 1 752 . 1 . 1 87 87 VAL CA C 13 66.343 0.3 . 1 . . . . . 89 VAL CA . 50355 1 753 . 1 . 1 87 87 VAL CB C 13 31.886 0.3 . 1 . . . . . 89 VAL CB . 50355 1 754 . 1 . 1 87 87 VAL CG1 C 13 22.386 0.3 . 1 . . . . . 89 VAL CG1 . 50355 1 755 . 1 . 1 87 87 VAL CG2 C 13 23.130 0.3 . 1 . . . . . 89 VAL CG2 . 50355 1 756 . 1 . 1 87 87 VAL N N 15 122.962 0.3 . 1 . . . . . 89 VAL N . 50355 1 757 . 1 . 1 88 88 ALA H H 1 8.965 0.020 . 1 . . . . . 90 ALA H . 50355 1 758 . 1 . 1 88 88 ALA HA H 1 3.638 0.020 . 1 . . . . . 90 ALA HA . 50355 1 759 . 1 . 1 88 88 ALA HB1 H 1 1.183 0.020 . 1 . . . . . 90 ALA HB . 50355 1 760 . 1 . 1 88 88 ALA HB2 H 1 1.183 0.020 . 1 . . . . . 90 ALA HB . 50355 1 761 . 1 . 1 88 88 ALA HB3 H 1 1.183 0.020 . 1 . . . . . 90 ALA HB . 50355 1 762 . 1 . 1 88 88 ALA C C 13 179.369 0.3 . 1 . . . . . 90 ALA C . 50355 1 763 . 1 . 1 88 88 ALA CA C 13 56.075 0.3 . 1 . . . . . 90 ALA CA . 50355 1 764 . 1 . 1 88 88 ALA CB C 13 18.231 0.3 . 1 . . . . . 90 ALA CB . 50355 1 765 . 1 . 1 88 88 ALA N N 15 121.477 0.3 . 1 . . . . . 90 ALA N . 50355 1 766 . 1 . 1 89 89 GLY H H 1 7.885 0.020 . 1 . . . . . 91 GLY H . 50355 1 767 . 1 . 1 89 89 GLY HA2 H 1 3.674 0.020 . 2 . . . . . 91 GLY HA2 . 50355 1 768 . 1 . 1 89 89 GLY HA3 H 1 3.889 0.020 . 2 . . . . . 91 GLY HA3 . 50355 1 769 . 1 . 1 89 89 GLY C C 13 176.188 0.3 . 1 . . . . . 91 GLY C . 50355 1 770 . 1 . 1 89 89 GLY CA C 13 47.010 0.3 . 1 . . . . . 91 GLY CA . 50355 1 771 . 1 . 1 89 89 GLY N N 15 103.584 0.3 . 1 . . . . . 91 GLY N . 50355 1 772 . 1 . 1 90 90 GLU H H 1 7.596 0.020 . 1 . . . . . 92 GLU H . 50355 1 773 . 1 . 1 90 90 GLU C C 13 179.139 0.3 . 1 . . . . . 92 GLU C . 50355 1 774 . 1 . 1 90 90 GLU CA C 13 59.101 0.3 . 1 . . . . . 92 GLU CA . 50355 1 775 . 1 . 1 90 90 GLU CB C 13 29.125 0.3 . 1 . . . . . 92 GLU CB . 50355 1 776 . 1 . 1 90 90 GLU N N 15 123.743 0.3 . 1 . . . . . 92 GLU N . 50355 1 777 . 1 . 1 91 91 LEU H H 1 8.793 0.020 . 1 . . . . . 93 LEU H . 50355 1 778 . 1 . 1 91 91 LEU HA H 1 3.683 0.020 . 1 . . . . . 93 LEU HA . 50355 1 779 . 1 . 1 91 91 LEU HB2 H 1 1.939 0.020 . 2 . . . . . 93 LEU HB2 . 50355 1 780 . 1 . 1 91 91 LEU HB3 H 1 0.990 0.020 . 2 . . . . . 93 LEU HB3 . 50355 1 781 . 1 . 1 91 91 LEU HD11 H 1 0.579 0.020 . 2 . . . . . 93 LEU HD1 . 50355 1 782 . 1 . 1 91 91 LEU HD12 H 1 0.579 0.020 . 2 . . . . . 93 LEU HD1 . 50355 1 783 . 1 . 1 91 91 LEU HD13 H 1 0.579 0.020 . 2 . . . . . 93 LEU HD1 . 50355 1 784 . 1 . 1 91 91 LEU HD21 H 1 0.615 0.020 . 2 . . . . . 93 LEU HD2 . 50355 1 785 . 1 . 1 91 91 LEU HD22 H 1 0.615 0.020 . 2 . . . . . 93 LEU HD2 . 50355 1 786 . 1 . 1 91 91 LEU HD23 H 1 0.615 0.020 . 2 . . . . . 93 LEU HD2 . 50355 1 787 . 1 . 1 91 91 LEU C C 13 178.177 0.3 . 1 . . . . . 93 LEU C . 50355 1 788 . 1 . 1 91 91 LEU CA C 13 58.178 0.3 . 1 . . . . . 93 LEU CA . 50355 1 789 . 1 . 1 91 91 LEU CB C 13 41.702 0.3 . 1 . . . . . 93 LEU CB . 50355 1 790 . 1 . 1 91 91 LEU CD1 C 13 23.972 0.3 . 1 . . . . . 93 LEU CD1 . 50355 1 791 . 1 . 1 91 91 LEU N N 15 119.211 0.3 . 1 . . . . . 93 LEU N . 50355 1 792 . 1 . 1 92 92 ARG H H 1 8.089 0.020 . 1 . . . . . 94 ARG H . 50355 1 793 . 1 . 1 92 92 ARG HA H 1 3.656 0.020 . 1 . . . . . 94 ARG HA . 50355 1 794 . 1 . 1 92 92 ARG HB2 H 1 1.745 0.020 . 1 . . . . . 94 ARG HB2 . 50355 1 795 . 1 . 1 92 92 ARG HB3 H 1 1.745 0.020 . 1 . . . . . 94 ARG HB3 . 50355 1 796 . 1 . 1 92 92 ARG C C 13 179.500 0.3 . 1 . . . . . 94 ARG C . 50355 1 797 . 1 . 1 92 92 ARG CA C 13 60.232 0.3 . 1 . . . . . 94 ARG CA . 50355 1 798 . 1 . 1 92 92 ARG CB C 13 29.740 0.3 . 1 . . . . . 94 ARG CB . 50355 1 799 . 1 . 1 92 92 ARG N N 15 117.336 0.3 . 1 . . . . . 94 ARG N . 50355 1 800 . 1 . 1 93 93 ARG H H 1 7.048 0.020 . 1 . . . . . 95 ARG H . 50355 1 801 . 1 . 1 93 93 ARG HA H 1 3.930 0.020 . 1 . . . . . 95 ARG HA . 50355 1 802 . 1 . 1 93 93 ARG C C 13 178.951 0.3 . 1 . . . . . 95 ARG C . 50355 1 803 . 1 . 1 93 93 ARG CA C 13 60.046 0.3 . 1 . . . . . 95 ARG CA . 50355 1 804 . 1 . 1 93 93 ARG CB C 13 29.692 0.3 . 1 . . . . . 95 ARG CB . 50355 1 805 . 1 . 1 93 93 ARG N N 15 119.211 0.3 . 1 . . . . . 95 ARG N . 50355 1 806 . 1 . 1 94 94 LEU H H 1 8.018 0.020 . 1 . . . . . 96 LEU H . 50355 1 807 . 1 . 1 94 94 LEU HA H 1 3.606 0.020 . 1 . . . . . 96 LEU HA . 50355 1 808 . 1 . 1 94 94 LEU HB2 H 1 0.887 0.020 . 2 . . . . . 96 LEU HB2 . 50355 1 809 . 1 . 1 94 94 LEU HB3 H 1 1.653 0.020 . 2 . . . . . 96 LEU HB3 . 50355 1 810 . 1 . 1 94 94 LEU HG H 1 0.676 0.020 . 1 . . . . . 96 LEU HG . 50355 1 811 . 1 . 1 94 94 LEU HD11 H 1 0.420 0.020 . 2 . . . . . 96 LEU HD1 . 50355 1 812 . 1 . 1 94 94 LEU HD12 H 1 0.420 0.020 . 2 . . . . . 96 LEU HD1 . 50355 1 813 . 1 . 1 94 94 LEU HD13 H 1 0.420 0.020 . 2 . . . . . 96 LEU HD1 . 50355 1 814 . 1 . 1 94 94 LEU HD21 H 1 0.238 0.020 . 2 . . . . . 96 LEU HD2 . 50355 1 815 . 1 . 1 94 94 LEU HD22 H 1 0.238 0.020 . 2 . . . . . 96 LEU HD2 . 50355 1 816 . 1 . 1 94 94 LEU HD23 H 1 0.238 0.020 . 2 . . . . . 96 LEU HD2 . 50355 1 817 . 1 . 1 94 94 LEU C C 13 176.755 0.3 . 1 . . . . . 96 LEU C . 50355 1 818 . 1 . 1 94 94 LEU CA C 13 57.464 0.3 . 1 . . . . . 96 LEU CA . 50355 1 819 . 1 . 1 94 94 LEU CB C 13 42.161 0.3 . 1 . . . . . 96 LEU CB . 50355 1 820 . 1 . 1 94 94 LEU CG C 13 25.804 0.3 . 1 . . . . . 96 LEU CG . 50355 1 821 . 1 . 1 94 94 LEU CD1 C 13 25.935 0.3 . 1 . . . . . 96 LEU CD1 . 50355 1 822 . 1 . 1 94 94 LEU CD2 C 13 22.018 0.3 . 1 . . . . . 96 LEU CD2 . 50355 1 823 . 1 . 1 94 94 LEU N N 15 119.367 0.3 . 1 . . . . . 96 LEU N . 50355 1 824 . 1 . 1 95 95 ALA H H 1 7.979 0.020 . 1 . . . . . 97 ALA H . 50355 1 825 . 1 . 1 95 95 ALA HA H 1 4.130 0.020 . 1 . . . . . 97 ALA HA . 50355 1 826 . 1 . 1 95 95 ALA HB1 H 1 1.220 0.020 . 1 . . . . . 97 ALA HB . 50355 1 827 . 1 . 1 95 95 ALA HB2 H 1 1.220 0.020 . 1 . . . . . 97 ALA HB . 50355 1 828 . 1 . 1 95 95 ALA HB3 H 1 1.220 0.020 . 1 . . . . . 97 ALA HB . 50355 1 829 . 1 . 1 95 95 ALA C C 13 178.041 0.3 . 1 . . . . . 97 ALA C . 50355 1 830 . 1 . 1 95 95 ALA CA C 13 52.008 0.3 . 1 . . . . . 97 ALA CA . 50355 1 831 . 1 . 1 95 95 ALA CB C 13 18.825 0.3 . 1 . . . . . 97 ALA CB . 50355 1 832 . 1 . 1 95 95 ALA N N 15 116.945 0.3 . 1 . . . . . 97 ALA N . 50355 1 833 . 1 . 1 96 96 ARG H H 1 7.181 0.020 . 1 . . . . . 98 ARG H . 50355 1 834 . 1 . 1 96 96 ARG HA H 1 3.807 0.020 . 1 . . . . . 98 ARG HA . 50355 1 835 . 1 . 1 96 96 ARG HB2 H 1 1.827 0.020 . 1 . . . . . 98 ARG HB2 . 50355 1 836 . 1 . 1 96 96 ARG HB3 H 1 1.827 0.020 . 1 . . . . . 98 ARG HB3 . 50355 1 837 . 1 . 1 96 96 ARG C C 13 176.138 0.3 . 1 . . . . . 98 ARG C . 50355 1 838 . 1 . 1 96 96 ARG CA C 13 59.542 0.3 . 1 . . . . . 98 ARG CA . 50355 1 839 . 1 . 1 96 96 ARG CB C 13 30.322 0.3 . 1 . . . . . 98 ARG CB . 50355 1 840 . 1 . 1 96 96 ARG N N 15 118.274 0.3 . 1 . . . . . 98 ARG N . 50355 1 841 . 1 . 1 97 97 PHE H H 1 6.587 0.020 . 1 . . . . . 99 PHE H . 50355 1 842 . 1 . 1 97 97 PHE HA H 1 4.395 0.020 . 1 . . . . . 99 PHE HA . 50355 1 843 . 1 . 1 97 97 PHE HB2 H 1 2.575 0.020 . 2 . . . . . 99 PHE HB2 . 50355 1 844 . 1 . 1 97 97 PHE HB3 H 1 2.917 0.020 . 2 . . . . . 99 PHE HB3 . 50355 1 845 . 1 . 1 97 97 PHE C C 13 172.481 0.3 . 1 . . . . . 99 PHE C . 50355 1 846 . 1 . 1 97 97 PHE CA C 13 57.338 0.3 . 1 . . . . . 99 PHE CA . 50355 1 847 . 1 . 1 97 97 PHE CB C 13 38.509 0.3 . 1 . . . . . 99 PHE CB . 50355 1 848 . 1 . 1 97 97 PHE N N 15 113.195 0.3 . 1 . . . . . 99 PHE N . 50355 1 849 . 1 . 1 98 98 LEU H H 1 7.369 0.020 . 1 . . . . . 100 LEU H . 50355 1 850 . 1 . 1 98 98 LEU HA H 1 4.234 0.020 . 1 . . . . . 100 LEU HA . 50355 1 851 . 1 . 1 98 98 LEU HB2 H 1 0.179 0.020 . 2 . . . . . 100 LEU HB2 . 50355 1 852 . 1 . 1 98 98 LEU HB3 H 1 1.033 0.020 . 2 . . . . . 100 LEU HB3 . 50355 1 853 . 1 . 1 98 98 LEU HD11 H 1 0.248 0.020 . 2 . . . . . 100 LEU HD1 . 50355 1 854 . 1 . 1 98 98 LEU HD12 H 1 0.248 0.020 . 2 . . . . . 100 LEU HD1 . 50355 1 855 . 1 . 1 98 98 LEU HD13 H 1 0.248 0.020 . 2 . . . . . 100 LEU HD1 . 50355 1 856 . 1 . 1 98 98 LEU HD21 H 1 0.460 0.020 . 2 . . . . . 100 LEU HD2 . 50355 1 857 . 1 . 1 98 98 LEU HD22 H 1 0.460 0.020 . 2 . . . . . 100 LEU HD2 . 50355 1 858 . 1 . 1 98 98 LEU HD23 H 1 0.460 0.020 . 2 . . . . . 100 LEU HD2 . 50355 1 859 . 1 . 1 98 98 LEU C C 13 173.506 0.3 . 1 . . . . . 100 LEU C . 50355 1 860 . 1 . 1 98 98 LEU CA C 13 51.103 0.3 . 1 . . . . . 100 LEU CA . 50355 1 861 . 1 . 1 98 98 LEU CB C 13 41.657 0.3 . 1 . . . . . 100 LEU CB . 50355 1 862 . 1 . 1 98 98 LEU CD1 C 13 24.733 0.3 . 1 . . . . . 100 LEU CD1 . 50355 1 863 . 1 . 1 98 98 LEU CD2 C 13 24.202 0.3 . 1 . . . . . 100 LEU CD2 . 50355 1 864 . 1 . 1 98 98 LEU N N 15 127.337 0.3 . 1 . . . . . 100 LEU N . 50355 1 865 . 1 . 1 100 100 ASN H H 1 8.378 0.020 . 1 . . . . . 102 ASN H . 50355 1 866 . 1 . 1 100 100 ASN HA H 1 4.258 0.020 . 1 . . . . . 102 ASN HA . 50355 1 867 . 1 . 1 100 100 ASN HB2 H 1 2.853 0.020 . 1 . . . . . 102 ASN HB2 . 50355 1 868 . 1 . 1 100 100 ASN HB3 H 1 2.853 0.020 . 1 . . . . . 102 ASN HB3 . 50355 1 869 . 1 . 1 100 100 ASN C C 13 174.619 0.3 . 1 . . . . . 102 ASN C . 50355 1 870 . 1 . 1 100 100 ASN CA C 13 54.293 0.3 . 1 . . . . . 102 ASN CA . 50355 1 871 . 1 . 1 100 100 ASN CB C 13 37.879 0.3 . 1 . . . . . 102 ASN CB . 50355 1 872 . 1 . 1 100 100 ASN N N 15 114.445 0.3 . 1 . . . . . 102 ASN N . 50355 1 873 . 1 . 1 101 101 THR H H 1 7.319 0.020 . 1 . . . . . 103 THR H . 50355 1 874 . 1 . 1 101 101 THR HA H 1 3.700 0.020 . 1 . . . . . 103 THR HA . 50355 1 875 . 1 . 1 101 101 THR C C 13 174.569 0.3 . 1 . . . . . 103 THR C . 50355 1 876 . 1 . 1 101 101 THR CA C 13 64.645 0.3 . 1 . . . . . 103 THR CA . 50355 1 877 . 1 . 1 101 101 THR CB C 13 68.232 0.3 . 1 . . . . . 103 THR CB . 50355 1 878 . 1 . 1 101 101 THR N N 15 116.750 0.3 . 1 . . . . . 103 THR N . 50355 1 879 . 1 . 1 102 102 LYS H H 1 11.169 0.020 . 1 . . . . . 104 LYS H . 50355 1 880 . 1 . 1 102 102 LYS C C 13 174.643 0.3 . 1 . . . . . 104 LYS C . 50355 1 881 . 1 . 1 102 102 LYS CA C 13 55.730 0.3 . 1 . . . . . 104 LYS CA . 50355 1 882 . 1 . 1 102 102 LYS CB C 13 34.604 0.3 . 1 . . . . . 104 LYS CB . 50355 1 883 . 1 . 1 102 102 LYS N N 15 134.649 0.3 . 1 . . . . . 104 LYS N . 50355 1 884 . 1 . 1 103 103 ILE H H 1 8.558 0.020 . 1 . . . . . 105 ILE H . 50355 1 885 . 1 . 1 103 103 ILE HA H 1 4.831 0.020 . 1 . . . . . 105 ILE HA . 50355 1 886 . 1 . 1 103 103 ILE HB H 1 1.548 0.020 . 1 . . . . . 105 ILE HB . 50355 1 887 . 1 . 1 103 103 ILE HG12 H 1 1.388 0.020 . 2 . . . . . 105 ILE HG12 . 50355 1 888 . 1 . 1 103 103 ILE HG13 H 1 0.759 0.020 . 2 . . . . . 105 ILE HG13 . 50355 1 889 . 1 . 1 103 103 ILE HD11 H 1 0.547 0.020 . 1 . . . . . 105 ILE HD1 . 50355 1 890 . 1 . 1 103 103 ILE HD12 H 1 0.547 0.020 . 1 . . . . . 105 ILE HD1 . 50355 1 891 . 1 . 1 103 103 ILE HD13 H 1 0.547 0.020 . 1 . . . . . 105 ILE HD1 . 50355 1 892 . 1 . 1 103 103 ILE C C 13 174.680 0.3 . 1 . . . . . 105 ILE C . 50355 1 893 . 1 . 1 103 103 ILE CA C 13 59.958 0.3 . 1 . . . . . 105 ILE CA . 50355 1 894 . 1 . 1 103 103 ILE CB C 13 40.020 0.3 . 1 . . . . . 105 ILE CB . 50355 1 895 . 1 . 1 103 103 ILE CG1 C 13 28.855 0.3 . 1 . . . . . 105 ILE CG1 . 50355 1 896 . 1 . 1 103 103 ILE CG2 C 13 17.004 0.3 . 1 . . . . . 105 ILE CG2 . 50355 1 897 . 1 . 1 103 103 ILE CD1 C 13 14.380 0.3 . 1 . . . . . 105 ILE CD1 . 50355 1 898 . 1 . 1 103 103 ILE N N 15 127.103 0.3 . 1 . . . . . 105 ILE N . 50355 1 899 . 1 . 1 104 104 LEU H H 1 8.331 0.020 . 1 . . . . . 106 LEU H . 50355 1 900 . 1 . 1 104 104 LEU HA H 1 4.733 0.020 . 1 . . . . . 106 LEU HA . 50355 1 901 . 1 . 1 104 104 LEU HB2 H 1 1.097 0.020 . 2 . . . . . 106 LEU HB2 . 50355 1 902 . 1 . 1 104 104 LEU HB3 H 1 1.473 0.020 . 2 . . . . . 106 LEU HB3 . 50355 1 903 . 1 . 1 104 104 LEU HD11 H 1 0.619 0.020 . 2 . . . . . 106 LEU HD1 . 50355 1 904 . 1 . 1 104 104 LEU HD12 H 1 0.619 0.020 . 2 . . . . . 106 LEU HD1 . 50355 1 905 . 1 . 1 104 104 LEU HD13 H 1 0.619 0.020 . 2 . . . . . 106 LEU HD1 . 50355 1 906 . 1 . 1 104 104 LEU HD21 H 1 0.805 0.020 . 2 . . . . . 106 LEU HD2 . 50355 1 907 . 1 . 1 104 104 LEU HD22 H 1 0.805 0.020 . 2 . . . . . 106 LEU HD2 . 50355 1 908 . 1 . 1 104 104 LEU HD23 H 1 0.805 0.020 . 2 . . . . . 106 LEU HD2 . 50355 1 909 . 1 . 1 104 104 LEU C C 13 175.145 0.3 . 1 . . . . . 106 LEU C . 50355 1 910 . 1 . 1 104 104 LEU CA C 13 52.930 0.3 . 1 . . . . . 106 LEU CA . 50355 1 911 . 1 . 1 104 104 LEU CB C 13 47.946 0.3 . 1 . . . . . 106 LEU CB . 50355 1 912 . 1 . 1 104 104 LEU CD1 C 13 26.652 0.3 . 1 . . . . . 106 LEU CD1 . 50355 1 913 . 1 . 1 104 104 LEU CD2 C 13 24.210 0.3 . 1 . . . . . 106 LEU CD2 . 50355 1 914 . 1 . 1 104 104 LEU N N 15 129.759 0.3 . 1 . . . . . 106 LEU N . 50355 1 915 . 1 . 1 105 105 THR H H 1 8.082 0.020 . 1 . . . . . 107 THR H . 50355 1 916 . 1 . 1 105 105 THR HA H 1 5.654 0.020 . 1 . . . . . 107 THR HA . 50355 1 917 . 1 . 1 105 105 THR HB H 1 4.044 0.020 . 1 . . . . . 107 THR HB . 50355 1 918 . 1 . 1 105 105 THR C C 13 174.656 0.3 . 1 . . . . . 107 THR C . 50355 1 919 . 1 . 1 105 105 THR CA C 13 58.917 0.3 . 1 . . . . . 107 THR CA . 50355 1 920 . 1 . 1 105 105 THR CB C 13 69.870 0.3 . 1 . . . . . 107 THR CB . 50355 1 921 . 1 . 1 105 105 THR N N 15 116.008 0.3 . 1 . . . . . 107 THR N . 50355 1 922 . 1 . 1 106 106 LEU H H 1 8.261 0.020 . 1 . . . . . 108 LEU H . 50355 1 923 . 1 . 1 106 106 LEU HA H 1 4.484 0.020 . 1 . . . . . 108 LEU HA . 50355 1 924 . 1 . 1 106 106 LEU HB2 H 1 1.380 0.020 . 2 . . . . . 108 LEU HB2 . 50355 1 925 . 1 . 1 106 106 LEU HB3 H 1 0.876 0.020 . 2 . . . . . 108 LEU HB3 . 50355 1 926 . 1 . 1 106 106 LEU HG H 1 1.032 0.020 . 1 . . . . . 108 LEU HG . 50355 1 927 . 1 . 1 106 106 LEU HD11 H 1 0.329 0.020 . 2 . . . . . 108 LEU HD1 . 50355 1 928 . 1 . 1 106 106 LEU HD12 H 1 0.329 0.020 . 2 . . . . . 108 LEU HD1 . 50355 1 929 . 1 . 1 106 106 LEU HD13 H 1 0.329 0.020 . 2 . . . . . 108 LEU HD1 . 50355 1 930 . 1 . 1 106 106 LEU HD21 H 1 0.267 0.020 . 2 . . . . . 108 LEU HD2 . 50355 1 931 . 1 . 1 106 106 LEU HD22 H 1 0.267 0.020 . 2 . . . . . 108 LEU HD2 . 50355 1 932 . 1 . 1 106 106 LEU HD23 H 1 0.267 0.020 . 2 . . . . . 108 LEU HD2 . 50355 1 933 . 1 . 1 106 106 LEU C C 13 173.766 0.3 . 1 . . . . . 108 LEU C . 50355 1 934 . 1 . 1 106 106 LEU CA C 13 53.430 0.3 . 1 . . . . . 108 LEU CA . 50355 1 935 . 1 . 1 106 106 LEU CB C 13 44.176 0.3 . 1 . . . . . 108 LEU CB . 50355 1 936 . 1 . 1 106 106 LEU CD1 C 13 23.187 0.3 . 1 . . . . . 108 LEU CD1 . 50355 1 937 . 1 . 1 106 106 LEU CD2 C 13 26.622 0.3 . 1 . . . . . 108 LEU CD2 . 50355 1 938 . 1 . 1 106 106 LEU N N 15 124.368 0.3 . 1 . . . . . 108 LEU N . 50355 1 939 . 1 . 1 107 107 CYS H H 1 7.719 0.020 . 1 . . . . . 109 CYS H . 50355 1 940 . 1 . 1 107 107 CYS C C 13 174.977 0.3 . 1 . . . . . 109 CYS C . 50355 1 941 . 1 . 1 107 107 CYS CA C 13 55.260 0.3 . 1 . . . . . 109 CYS CA . 50355 1 942 . 1 . 1 107 107 CYS CB C 13 31.057 0.3 . 1 . . . . . 109 CYS CB . 50355 1 943 . 1 . 1 107 107 CYS N N 15 119.130 0.3 . 1 . . . . . 109 CYS N . 50355 1 944 . 1 . 1 116 116 ARG H H 1 8.439 0.020 . 1 . . . . . 118 ARG H . 50355 1 945 . 1 . 1 116 116 ARG HA H 1 3.784 0.020 . 1 . . . . . 118 ARG HA . 50355 1 946 . 1 . 1 116 116 ARG HB2 H 1 1.275 0.020 . 2 . . . . . 118 ARG HB2 . 50355 1 947 . 1 . 1 116 116 ARG HB3 H 1 1.758 0.020 . 2 . . . . . 118 ARG HB3 . 50355 1 948 . 1 . 1 116 116 ARG C C 13 178.733 0.3 . 1 . . . . . 118 ARG C . 50355 1 949 . 1 . 1 116 116 ARG CA C 13 59.988 0.3 . 1 . . . . . 118 ARG CA . 50355 1 950 . 1 . 1 116 116 ARG N N 15 120.034 0.3 . 1 . . . . . 118 ARG N . 50355 1 951 . 1 . 1 117 117 ASP H H 1 7.893 0.020 . 1 . . . . . 119 ASP H . 50355 1 952 . 1 . 1 117 117 ASP HA H 1 4.299 0.020 . 1 . . . . . 119 ASP HA . 50355 1 953 . 1 . 1 117 117 ASP HB2 H 1 2.639 0.020 . 1 . . . . . 119 ASP HB2 . 50355 1 954 . 1 . 1 117 117 ASP HB3 H 1 2.639 0.020 . 1 . . . . . 119 ASP HB3 . 50355 1 955 . 1 . 1 117 117 ASP C C 13 178.869 0.3 . 1 . . . . . 119 ASP C . 50355 1 956 . 1 . 1 117 117 ASP CA C 13 57.300 0.3 . 1 . . . . . 119 ASP CA . 50355 1 957 . 1 . 1 117 117 ASP CB C 13 39.902 0.3 . 1 . . . . . 119 ASP CB . 50355 1 958 . 1 . 1 117 117 ASP N N 15 120.216 0.3 . 1 . . . . . 119 ASP N . 50355 1 959 . 1 . 1 118 118 SER H H 1 7.596 0.020 . 1 . . . . . 120 SER H . 50355 1 960 . 1 . 1 118 118 SER HA H 1 4.267 0.020 . 1 . . . . . 120 SER HA . 50355 1 961 . 1 . 1 118 118 SER HB2 H 1 3.843 0.020 . 1 . . . . . 120 SER HB2 . 50355 1 962 . 1 . 1 118 118 SER HB3 H 1 3.843 0.020 . 1 . . . . . 120 SER HB3 . 50355 1 963 . 1 . 1 118 118 SER C C 13 174.248 0.3 . 1 . . . . . 120 SER C . 50355 1 964 . 1 . 1 118 118 SER CA C 13 60.990 0.3 . 1 . . . . . 120 SER CA . 50355 1 965 . 1 . 1 118 118 SER CB C 13 63.383 0.3 . 1 . . . . . 120 SER CB . 50355 1 966 . 1 . 1 118 118 SER N N 15 116.711 0.3 . 1 . . . . . 120 SER N . 50355 1 967 . 1 . 1 119 119 LEU H H 1 7.338 0.020 . 1 . . . . . 121 LEU H . 50355 1 968 . 1 . 1 119 119 LEU HA H 1 3.930 0.020 . 1 . . . . . 121 LEU HA . 50355 1 969 . 1 . 1 119 119 LEU HB2 H 1 1.530 0.020 . 1 . . . . . 121 LEU HB2 . 50355 1 970 . 1 . 1 119 119 LEU HB3 H 1 1.530 0.020 . 1 . . . . . 121 LEU HB3 . 50355 1 971 . 1 . 1 119 119 LEU HD11 H 1 0.482 0.020 . 2 . . . . . 121 LEU HD1 . 50355 1 972 . 1 . 1 119 119 LEU HD12 H 1 0.482 0.020 . 2 . . . . . 121 LEU HD1 . 50355 1 973 . 1 . 1 119 119 LEU HD13 H 1 0.482 0.020 . 2 . . . . . 121 LEU HD1 . 50355 1 974 . 1 . 1 119 119 LEU HD21 H 1 0.120 0.020 . 2 . . . . . 121 LEU HD2 . 50355 1 975 . 1 . 1 119 119 LEU HD22 H 1 0.120 0.020 . 2 . . . . . 121 LEU HD2 . 50355 1 976 . 1 . 1 119 119 LEU HD23 H 1 0.120 0.020 . 2 . . . . . 121 LEU HD2 . 50355 1 977 . 1 . 1 119 119 LEU C C 13 176.442 0.3 . 1 . . . . . 121 LEU C . 50355 1 978 . 1 . 1 119 119 LEU CA C 13 55.008 0.3 . 1 . . . . . 121 LEU CA . 50355 1 979 . 1 . 1 119 119 LEU CB C 13 42.539 0.3 . 1 . . . . . 121 LEU CB . 50355 1 980 . 1 . 1 119 119 LEU CD1 C 13 23.359 0.3 . 1 . . . . . 121 LEU CD1 . 50355 1 981 . 1 . 1 119 119 LEU CD2 C 13 26.336 0.3 . 1 . . . . . 121 LEU CD2 . 50355 1 982 . 1 . 1 119 119 LEU N N 15 121.321 0.3 . 1 . . . . . 121 LEU N . 50355 1 983 . 1 . 1 120 120 GLN H H 1 7.090 0.020 . 1 . . . . . 122 GLN H . 50355 1 984 . 1 . 1 120 120 GLN HA H 1 3.738 0.020 . 1 . . . . . 122 GLN HA . 50355 1 985 . 1 . 1 120 120 GLN HB2 H 1 1.836 0.020 . 1 . . . . . 122 GLN HB2 . 50355 1 986 . 1 . 1 120 120 GLN HB3 H 1 1.836 0.020 . 1 . . . . . 122 GLN HB3 . 50355 1 987 . 1 . 1 120 120 GLN C C 13 176.386 0.3 . 1 . . . . . 122 GLN C . 50355 1 988 . 1 . 1 120 120 GLN CA C 13 59.101 0.3 . 1 . . . . . 122 GLN CA . 50355 1 989 . 1 . 1 120 120 GLN CB C 13 28.519 0.3 . 1 . . . . . 122 GLN CB . 50355 1 990 . 1 . 1 120 120 GLN N N 15 119.737 0.3 . 1 . . . . . 122 GLN N . 50355 1 991 . 1 . 1 121 121 HIS H H 1 7.416 0.020 . 1 . . . . . 123 HIS H . 50355 1 992 . 1 . 1 121 121 HIS HA H 1 4.509 0.020 . 1 . . . . . 123 HIS HA . 50355 1 993 . 1 . 1 121 121 HIS HB2 H 1 2.657 0.020 . 1 . . . . . 123 HIS HB2 . 50355 1 994 . 1 . 1 121 121 HIS HB3 H 1 2.657 0.020 . 1 . . . . . 123 HIS HB3 . 50355 1 995 . 1 . 1 121 121 HIS C C 13 174.100 0.3 . 1 . . . . . 123 HIS C . 50355 1 996 . 1 . 1 121 121 HIS CA C 13 54.203 0.3 . 1 . . . . . 123 HIS CA . 50355 1 997 . 1 . 1 121 121 HIS CB C 13 29.928 0.3 . 1 . . . . . 123 HIS CB . 50355 1 998 . 1 . 1 121 121 HIS N N 15 117.648 0.3 . 1 . . . . . 123 HIS N . 50355 1 999 . 1 . 1 122 122 ALA H H 1 8.261 0.020 . 1 . . . . . 124 ALA H . 50355 1 1000 . 1 . 1 122 122 ALA HA H 1 4.029 0.020 . 1 . . . . . 124 ALA HA . 50355 1 1001 . 1 . 1 122 122 ALA HB1 H 1 1.133 0.020 . 1 . . . . . 124 ALA HB . 50355 1 1002 . 1 . 1 122 122 ALA HB2 H 1 1.133 0.020 . 1 . . . . . 124 ALA HB . 50355 1 1003 . 1 . 1 122 122 ALA HB3 H 1 1.133 0.020 . 1 . . . . . 124 ALA HB . 50355 1 1004 . 1 . 1 122 122 ALA C C 13 173.974 0.3 . 1 . . . . . 124 ALA C . 50355 1 1005 . 1 . 1 122 122 ALA CA C 13 51.418 0.3 . 1 . . . . . 124 ALA CA . 50355 1 1006 . 1 . 1 122 122 ALA CB C 13 17.853 0.3 . 1 . . . . . 124 ALA CB . 50355 1 1007 . 1 . 1 122 122 ALA N N 15 128.431 0.3 . 1 . . . . . 124 ALA N . 50355 1 1008 . 1 . 1 124 124 HIS H H 1 7.858 0.020 . 1 . . . . . 126 HIS H . 50355 1 1009 . 1 . 1 124 124 HIS HA H 1 4.527 0.020 . 1 . . . . . 126 HIS HA . 50355 1 1010 . 1 . 1 124 124 HIS HB2 H 1 2.926 0.020 . 2 . . . . . 126 HIS HB2 . 50355 1 1011 . 1 . 1 124 124 HIS HB3 H 1 3.040 0.020 . 2 . . . . . 126 HIS HB3 . 50355 1 1012 . 1 . 1 124 124 HIS C C 13 176.966 0.3 . 1 . . . . . 126 HIS C . 50355 1 1013 . 1 . 1 124 124 HIS CA C 13 60.927 0.3 . 1 . . . . . 126 HIS CA . 50355 1 1014 . 1 . 1 124 124 HIS CB C 13 32.652 0.3 . 1 . . . . . 126 HIS CB . 50355 1 1015 . 1 . 1 124 124 HIS N N 15 120.195 0.3 . 1 . . . . . 126 HIS N . 50355 1 1016 . 1 . 1 125 125 ILE H H 1 7.885 0.020 . 1 . . . . . 127 ILE H . 50355 1 1017 . 1 . 1 125 125 ILE HA H 1 4.901 0.020 . 1 . . . . . 127 ILE HA . 50355 1 1018 . 1 . 1 125 125 ILE HB H 1 1.585 0.020 . 1 . . . . . 127 ILE HB . 50355 1 1019 . 1 . 1 125 125 ILE HG21 H 1 0.541 0.020 . 1 . . . . . 127 ILE HG2 . 50355 1 1020 . 1 . 1 125 125 ILE HG22 H 1 0.541 0.020 . 1 . . . . . 127 ILE HG2 . 50355 1 1021 . 1 . 1 125 125 ILE HG23 H 1 0.541 0.020 . 1 . . . . . 127 ILE HG2 . 50355 1 1022 . 1 . 1 125 125 ILE HD11 H 1 0.509 0.020 . 1 . . . . . 127 ILE HD1 . 50355 1 1023 . 1 . 1 125 125 ILE HD12 H 1 0.509 0.020 . 1 . . . . . 127 ILE HD1 . 50355 1 1024 . 1 . 1 125 125 ILE HD13 H 1 0.509 0.020 . 1 . . . . . 127 ILE HD1 . 50355 1 1025 . 1 . 1 125 125 ILE C C 13 174.235 0.3 . 1 . . . . . 127 ILE C . 50355 1 1026 . 1 . 1 125 125 ILE CA C 13 59.542 0.3 . 1 . . . . . 127 ILE CA . 50355 1 1027 . 1 . 1 125 125 ILE CB C 13 41.846 0.3 . 1 . . . . . 127 ILE CB . 50355 1 1028 . 1 . 1 125 125 ILE CG2 C 13 16.718 0.3 . 1 . . . . . 127 ILE CG2 . 50355 1 1029 . 1 . 1 125 125 ILE CD1 C 13 14.199 0.3 . 1 . . . . . 127 ILE CD1 . 50355 1 1030 . 1 . 1 125 125 ILE N N 15 115.304 0.3 . 1 . . . . . 127 ILE N . 50355 1 1031 . 1 . 1 126 126 ILE H H 1 7.909 0.020 . 1 . . . . . 128 ILE H . 50355 1 1032 . 1 . 1 126 126 ILE HA H 1 4.897 0.020 . 1 . . . . . 128 ILE HA . 50355 1 1033 . 1 . 1 126 126 ILE HB H 1 1.275 0.020 . 1 . . . . . 128 ILE HB . 50355 1 1034 . 1 . 1 126 126 ILE HG21 H 1 0.549 0.020 . 1 . . . . . 128 ILE HG2 . 50355 1 1035 . 1 . 1 126 126 ILE HG22 H 1 0.549 0.020 . 1 . . . . . 128 ILE HG2 . 50355 1 1036 . 1 . 1 126 126 ILE HG23 H 1 0.549 0.020 . 1 . . . . . 128 ILE HG2 . 50355 1 1037 . 1 . 1 126 126 ILE HD11 H 1 0.599 0.020 . 1 . . . . . 128 ILE HD1 . 50355 1 1038 . 1 . 1 126 126 ILE HD12 H 1 0.599 0.020 . 1 . . . . . 128 ILE HD1 . 50355 1 1039 . 1 . 1 126 126 ILE HD13 H 1 0.599 0.020 . 1 . . . . . 128 ILE HD1 . 50355 1 1040 . 1 . 1 126 126 ILE C C 13 173.765 0.3 . 1 . . . . . 128 ILE C . 50355 1 1041 . 1 . 1 126 126 ILE CA C 13 59.479 0.3 . 1 . . . . . 128 ILE CA . 50355 1 1042 . 1 . 1 126 126 ILE CB C 13 41.909 0.3 . 1 . . . . . 128 ILE CB . 50355 1 1043 . 1 . 1 126 126 ILE CG1 C 13 29.026 0.3 . 1 . . . . . 128 ILE CG1 . 50355 1 1044 . 1 . 1 126 126 ILE CG2 C 13 18.149 0.3 . 1 . . . . . 128 ILE CG2 . 50355 1 1045 . 1 . 1 126 126 ILE CD1 C 13 15.229 0.3 . 1 . . . . . 128 ILE CD1 . 50355 1 1046 . 1 . 1 126 126 ILE N N 15 125.384 0.3 . 1 . . . . . 128 ILE N . 50355 1 1047 . 1 . 1 127 127 VAL H H 1 8.417 0.020 . 1 . . . . . 129 VAL H . 50355 1 1048 . 1 . 1 127 127 VAL HA H 1 4.892 0.020 . 1 . . . . . 129 VAL HA . 50355 1 1049 . 1 . 1 127 127 VAL HB H 1 1.773 0.020 . 1 . . . . . 129 VAL HB . 50355 1 1050 . 1 . 1 127 127 VAL HG11 H 1 0.530 0.020 . 2 . . . . . 129 VAL HG1 . 50355 1 1051 . 1 . 1 127 127 VAL HG12 H 1 0.530 0.020 . 2 . . . . . 129 VAL HG1 . 50355 1 1052 . 1 . 1 127 127 VAL HG13 H 1 0.530 0.020 . 2 . . . . . 129 VAL HG1 . 50355 1 1053 . 1 . 1 127 127 VAL HG21 H 1 0.925 0.020 . 2 . . . . . 129 VAL HG2 . 50355 1 1054 . 1 . 1 127 127 VAL HG22 H 1 0.925 0.020 . 2 . . . . . 129 VAL HG2 . 50355 1 1055 . 1 . 1 127 127 VAL HG23 H 1 0.925 0.020 . 2 . . . . . 129 VAL HG2 . 50355 1 1056 . 1 . 1 127 127 VAL C C 13 174.476 0.3 . 1 . . . . . 129 VAL C . 50355 1 1057 . 1 . 1 127 127 VAL CA C 13 60.613 0.3 . 1 . . . . . 129 VAL CA . 50355 1 1058 . 1 . 1 127 127 VAL CB C 13 32.952 0.3 . 1 . . . . . 129 VAL CB . 50355 1 1059 . 1 . 1 127 127 VAL CG1 C 13 20.611 0.3 . 1 . . . . . 129 VAL CG1 . 50355 1 1060 . 1 . 1 127 127 VAL CG2 C 13 22.214 0.3 . 1 . . . . . 129 VAL CG2 . 50355 1 1061 . 1 . 1 127 127 VAL N N 15 129.369 0.3 . 1 . . . . . 129 VAL N . 50355 1 1062 . 1 . 1 128 128 ALA H H 1 9.255 0.020 . 1 . . . . . 130 ALA H . 50355 1 1063 . 1 . 1 128 128 ALA HA H 1 4.979 0.020 . 1 . . . . . 130 ALA HA . 50355 1 1064 . 1 . 1 128 128 ALA HB1 H 1 1.247 0.020 . 1 . . . . . 130 ALA HB . 50355 1 1065 . 1 . 1 128 128 ALA HB2 H 1 1.247 0.020 . 1 . . . . . 130 ALA HB . 50355 1 1066 . 1 . 1 128 128 ALA HB3 H 1 1.247 0.020 . 1 . . . . . 130 ALA HB . 50355 1 1067 . 1 . 1 128 128 ALA C C 13 176.316 0.3 . 1 . . . . . 130 ALA C . 50355 1 1068 . 1 . 1 128 128 ALA CA C 13 50.726 0.3 . 1 . . . . . 130 ALA CA . 50355 1 1069 . 1 . 1 128 128 ALA CB C 13 26.425 0.3 . 1 . . . . . 130 ALA CB . 50355 1 1070 . 1 . 1 128 128 ALA N N 15 128.431 0.3 . 1 . . . . . 130 ALA N . 50355 1 1071 . 1 . 1 129 129 THR H H 1 7.424 0.020 . 1 . . . . . 131 THR H . 50355 1 1072 . 1 . 1 129 129 THR C C 13 175.076 0.3 . 1 . . . . . 131 THR C . 50355 1 1073 . 1 . 1 129 129 THR CA C 13 57.937 0.3 . 1 . . . . . 131 THR CA . 50355 1 1074 . 1 . 1 129 129 THR CB C 13 67.855 0.3 . 1 . . . . . 131 THR CB . 50355 1 1075 . 1 . 1 129 129 THR N N 15 109.679 0.3 . 1 . . . . . 131 THR N . 50355 1 1076 . 1 . 1 131 131 GLY H H 1 7.275 0.020 . 1 . . . . . 133 GLY H . 50355 1 1077 . 1 . 1 131 131 GLY HA2 H 1 3.569 0.020 . 2 . . . . . 133 GLY HA2 . 50355 1 1078 . 1 . 1 131 131 GLY HA3 H 1 3.870 0.020 . 2 . . . . . 133 GLY HA3 . 50355 1 1079 . 1 . 1 131 131 GLY C C 13 176.126 0.3 . 1 . . . . . 133 GLY C . 50355 1 1080 . 1 . 1 131 131 GLY CA C 13 47.010 0.3 . 1 . . . . . 133 GLY CA . 50355 1 1081 . 1 . 1 131 131 GLY N N 15 103.115 0.3 . 1 . . . . . 133 GLY N . 50355 1 1082 . 1 . 1 132 132 ARG H H 1 7.760 0.020 . 1 . . . . . 134 ARG H . 50355 1 1083 . 1 . 1 132 132 ARG HA H 1 4.441 0.020 . 1 . . . . . 134 ARG HA . 50355 1 1084 . 1 . 1 132 132 ARG C C 13 178.617 0.3 . 1 . . . . . 134 ARG C . 50355 1 1085 . 1 . 1 132 132 ARG CA C 13 55.638 0.3 . 1 . . . . . 134 ARG CA . 50355 1 1086 . 1 . 1 132 132 ARG CB C 13 27.236 0.3 . 1 . . . . . 134 ARG CB . 50355 1 1087 . 1 . 1 132 132 ARG N N 15 122.336 0.3 . 1 . . . . . 134 ARG N . 50355 1 1088 . 1 . 1 133 133 LEU H H 1 7.541 0.020 . 1 . . . . . 135 LEU H . 50355 1 1089 . 1 . 1 133 133 LEU HA H 1 3.870 0.020 . 1 . . . . . 135 LEU HA . 50355 1 1090 . 1 . 1 133 133 LEU HB3 H 1 1.916 0.020 . 1 . . . . . 135 LEU HB3 . 50355 1 1091 . 1 . 1 133 133 LEU HG H 1 1.410 0.020 . 1 . . . . . 135 LEU HG . 50355 1 1092 . 1 . 1 133 133 LEU HD11 H 1 0.640 0.020 . 2 . . . . . 135 LEU HD1 . 50355 1 1093 . 1 . 1 133 133 LEU HD12 H 1 0.640 0.020 . 2 . . . . . 135 LEU HD1 . 50355 1 1094 . 1 . 1 133 133 LEU HD13 H 1 0.640 0.020 . 2 . . . . . 135 LEU HD1 . 50355 1 1095 . 1 . 1 133 133 LEU HD21 H 1 0.760 0.020 . 2 . . . . . 135 LEU HD2 . 50355 1 1096 . 1 . 1 133 133 LEU HD22 H 1 0.760 0.020 . 2 . . . . . 135 LEU HD2 . 50355 1 1097 . 1 . 1 133 133 LEU HD23 H 1 0.760 0.020 . 2 . . . . . 135 LEU HD2 . 50355 1 1098 . 1 . 1 133 133 LEU C C 13 178.094 0.3 . 1 . . . . . 135 LEU C . 50355 1 1099 . 1 . 1 133 133 LEU CA C 13 57.842 0.3 . 1 . . . . . 135 LEU CA . 50355 1 1100 . 1 . 1 133 133 LEU CB C 13 40.713 0.3 . 1 . . . . . 135 LEU CB . 50355 1 1101 . 1 . 1 133 133 LEU CG C 13 26.674 0.3 . 1 . . . . . 135 LEU CG . 50355 1 1102 . 1 . 1 133 133 LEU CD1 C 13 23.562 0.3 . 1 . . . . . 135 LEU CD1 . 50355 1 1103 . 1 . 1 133 133 LEU CD2 C 13 29.723 0.3 . 1 . . . . . 135 LEU CD2 . 50355 1 1104 . 1 . 1 133 133 LEU N N 15 118.664 0.3 . 1 . . . . . 135 LEU N . 50355 1 1105 . 1 . 1 134 134 LEU H H 1 7.885 0.020 . 1 . . . . . 136 LEU H . 50355 1 1106 . 1 . 1 134 134 LEU HA H 1 3.788 0.020 . 1 . . . . . 136 LEU HA . 50355 1 1107 . 1 . 1 134 134 LEU HB2 H 1 1.447 0.020 . 2 . . . . . 136 LEU HB2 . 50355 1 1108 . 1 . 1 134 134 LEU HB3 H 1 1.950 0.020 . 2 . . . . . 136 LEU HB3 . 50355 1 1109 . 1 . 1 134 134 LEU HD11 H 1 0.942 0.020 . 2 . . . . . 136 LEU HD1 . 50355 1 1110 . 1 . 1 134 134 LEU HD12 H 1 0.942 0.020 . 2 . . . . . 136 LEU HD1 . 50355 1 1111 . 1 . 1 134 134 LEU HD13 H 1 0.942 0.020 . 2 . . . . . 136 LEU HD1 . 50355 1 1112 . 1 . 1 134 134 LEU HD21 H 1 0.991 0.020 . 2 . . . . . 136 LEU HD2 . 50355 1 1113 . 1 . 1 134 134 LEU HD22 H 1 0.991 0.020 . 2 . . . . . 136 LEU HD2 . 50355 1 1114 . 1 . 1 134 134 LEU HD23 H 1 0.991 0.020 . 2 . . . . . 136 LEU HD2 . 50355 1 1115 . 1 . 1 134 134 LEU C C 13 177.425 0.3 . 1 . . . . . 136 LEU C . 50355 1 1116 . 1 . 1 134 134 LEU CA C 13 58.031 0.3 . 1 . . . . . 136 LEU CA . 50355 1 1117 . 1 . 1 134 134 LEU CB C 13 40.753 0.3 . 1 . . . . . 136 LEU CB . 50355 1 1118 . 1 . 1 134 134 LEU CD1 C 13 23.473 0.3 . 1 . . . . . 136 LEU CD1 . 50355 1 1119 . 1 . 1 134 134 LEU CD2 C 13 26.273 0.3 . 1 . . . . . 136 LEU CD2 . 50355 1 1120 . 1 . 1 134 134 LEU N N 15 119.055 0.3 . 1 . . . . . 136 LEU N . 50355 1 1121 . 1 . 1 135 135 ASP H H 1 7.283 0.020 . 1 . . . . . 137 ASP H . 50355 1 1122 . 1 . 1 135 135 ASP HA H 1 4.203 0.020 . 1 . . . . . 137 ASP HA . 50355 1 1123 . 1 . 1 135 135 ASP HB2 H 1 2.465 0.020 . 2 . . . . . 137 ASP HB2 . 50355 1 1124 . 1 . 1 135 135 ASP HB3 H 1 2.744 0.020 . 2 . . . . . 137 ASP HB3 . 50355 1 1125 . 1 . 1 135 135 ASP C C 13 178.523 0.3 . 1 . . . . . 137 ASP C . 50355 1 1126 . 1 . 1 135 135 ASP CA C 13 57.905 0.3 . 1 . . . . . 137 ASP CA . 50355 1 1127 . 1 . 1 135 135 ASP CB C 13 41.091 0.3 . 1 . . . . . 137 ASP CB . 50355 1 1128 . 1 . 1 135 135 ASP N N 15 118.586 0.3 . 1 . . . . . 137 ASP N . 50355 1 1129 . 1 . 1 136 136 HIS H H 1 7.205 0.020 . 1 . . . . . 138 HIS H . 50355 1 1130 . 1 . 1 136 136 HIS HA H 1 4.176 0.020 . 1 . . . . . 138 HIS HA . 50355 1 1131 . 1 . 1 136 136 HIS CA C 13 60.790 0.3 . 1 . . . . . 138 HIS CA . 50355 1 1132 . 1 . 1 136 136 HIS CB C 13 31.308 0.3 . 1 . . . . . 138 HIS CB . 50355 1 1133 . 1 . 1 136 136 HIS N N 15 117.570 0.3 . 1 . . . . . 138 HIS N . 50355 1 1134 . 1 . 1 137 137 LEU H H 1 8.519 0.020 . 1 . . . . . 139 LEU H . 50355 1 1135 . 1 . 1 137 137 LEU HA H 1 3.688 0.020 . 1 . . . . . 139 LEU HA . 50355 1 1136 . 1 . 1 137 137 LEU HB2 H 1 1.254 0.020 . 1 . . . . . 139 LEU HB2 . 50355 1 1137 . 1 . 1 137 137 LEU HB3 H 1 1.254 0.020 . 1 . . . . . 139 LEU HB3 . 50355 1 1138 . 1 . 1 137 137 LEU HD11 H 1 0.333 0.020 . 2 . . . . . 139 LEU HD1 . 50355 1 1139 . 1 . 1 137 137 LEU HD12 H 1 0.333 0.020 . 2 . . . . . 139 LEU HD1 . 50355 1 1140 . 1 . 1 137 137 LEU HD13 H 1 0.333 0.020 . 2 . . . . . 139 LEU HD1 . 50355 1 1141 . 1 . 1 137 137 LEU HD21 H 1 0.472 0.020 . 2 . . . . . 139 LEU HD2 . 50355 1 1142 . 1 . 1 137 137 LEU HD22 H 1 0.472 0.020 . 2 . . . . . 139 LEU HD2 . 50355 1 1143 . 1 . 1 137 137 LEU HD23 H 1 0.472 0.020 . 2 . . . . . 139 LEU HD2 . 50355 1 1144 . 1 . 1 137 137 LEU C C 13 180.750 0.3 . 1 . . . . . 139 LEU C . 50355 1 1145 . 1 . 1 137 137 LEU CA C 13 58.157 0.3 . 1 . . . . . 139 LEU CA . 50355 1 1146 . 1 . 1 137 137 LEU CB C 13 39.894 0.3 . 1 . . . . . 139 LEU CB . 50355 1 1147 . 1 . 1 137 137 LEU CD1 C 13 22.328 0.3 . 1 . . . . . 139 LEU CD1 . 50355 1 1148 . 1 . 1 137 137 LEU CD2 C 13 27.195 0.3 . 1 . . . . . 139 LEU CD2 . 50355 1 1149 . 1 . 1 137 137 LEU N N 15 121.585 0.3 . 1 . . . . . 139 LEU N . 50355 1 1150 . 1 . 1 138 138 GLN H H 1 8.457 0.020 . 1 . . . . . 140 GLN H . 50355 1 1151 . 1 . 1 138 138 GLN HA H 1 3.998 0.020 . 1 . . . . . 140 GLN HA . 50355 1 1152 . 1 . 1 138 138 GLN HB2 H 1 1.954 0.020 . 2 . . . . . 140 GLN HB2 . 50355 1 1153 . 1 . 1 138 138 GLN HB3 H 1 2.205 0.020 . 2 . . . . . 140 GLN HB3 . 50355 1 1154 . 1 . 1 138 138 GLN C C 13 178.301 0.3 . 1 . . . . . 140 GLN C . 50355 1 1155 . 1 . 1 138 138 GLN CA C 13 58.597 0.3 . 1 . . . . . 140 GLN CA . 50355 1 1156 . 1 . 1 138 138 GLN CB C 13 28.055 0.3 . 1 . . . . . 140 GLN CB . 50355 1 1157 . 1 . 1 138 138 GLN N N 15 117.961 0.3 . 1 . . . . . 140 GLN N . 50355 1 1158 . 1 . 1 139 139 LYS H H 1 7.608 0.020 . 1 . . . . . 141 LYS H . 50355 1 1159 . 1 . 1 139 139 LYS HA H 1 4.231 0.020 . 1 . . . . . 141 LYS HA . 50355 1 1160 . 1 . 1 139 139 LYS HB2 H 1 1.849 0.020 . 2 . . . . . 141 LYS HB2 . 50355 1 1161 . 1 . 1 139 139 LYS HB3 H 1 2.023 0.020 . 2 . . . . . 141 LYS HB3 . 50355 1 1162 . 1 . 1 139 139 LYS C C 13 176.917 0.3 . 1 . . . . . 141 LYS C . 50355 1 1163 . 1 . 1 139 139 LYS CA C 13 56.336 0.3 . 1 . . . . . 141 LYS CA . 50355 1 1164 . 1 . 1 139 139 LYS CB C 13 33.127 0.3 . 1 . . . . . 141 LYS CB . 50355 1 1165 . 1 . 1 139 139 LYS N N 15 117.412 0.3 . 1 . . . . . 141 LYS N . 50355 1 1166 . 1 . 1 140 140 GLY H H 1 7.737 0.020 . 1 . . . . . 142 GLY H . 50355 1 1167 . 1 . 1 140 140 GLY HA2 H 1 3.889 0.020 . 2 . . . . . 142 GLY HA2 . 50355 1 1168 . 1 . 1 140 140 GLY HA3 H 1 4.112 0.020 . 2 . . . . . 142 GLY HA3 . 50355 1 1169 . 1 . 1 140 140 GLY C C 13 175.286 0.3 . 1 . . . . . 142 GLY C . 50355 1 1170 . 1 . 1 140 140 GLY CA C 13 45.814 0.3 . 1 . . . . . 142 GLY CA . 50355 1 1171 . 1 . 1 140 140 GLY N N 15 108.272 0.3 . 1 . . . . . 142 GLY N . 50355 1 1172 . 1 . 1 141 141 THR H H 1 8.378 0.020 . 1 . . . . . 143 THR H . 50355 1 1173 . 1 . 1 141 141 THR HA H 1 4.070 0.020 . 1 . . . . . 143 THR HA . 50355 1 1174 . 1 . 1 141 141 THR HB H 1 4.156 0.020 . 1 . . . . . 143 THR HB . 50355 1 1175 . 1 . 1 141 141 THR C C 13 174.581 0.3 . 1 . . . . . 143 THR C . 50355 1 1176 . 1 . 1 141 141 THR CA C 13 62.824 0.3 . 1 . . . . . 143 THR CA . 50355 1 1177 . 1 . 1 141 141 THR CB C 13 66.862 0.3 . 1 . . . . . 143 THR CB . 50355 1 1178 . 1 . 1 141 141 THR N N 15 111.398 0.3 . 1 . . . . . 143 THR N . 50355 1 1179 . 1 . 1 142 142 VAL H H 1 6.602 0.020 . 1 . . . . . 144 VAL H . 50355 1 1180 . 1 . 1 142 142 VAL HA H 1 4.016 0.020 . 1 . . . . . 144 VAL HA . 50355 1 1181 . 1 . 1 142 142 VAL HB H 1 1.220 0.020 . 1 . . . . . 144 VAL HB . 50355 1 1182 . 1 . 1 142 142 VAL HG11 H 1 0.556 0.020 . 2 . . . . . 144 VAL HG1 . 50355 1 1183 . 1 . 1 142 142 VAL HG12 H 1 0.556 0.020 . 2 . . . . . 144 VAL HG1 . 50355 1 1184 . 1 . 1 142 142 VAL HG13 H 1 0.556 0.020 . 2 . . . . . 144 VAL HG1 . 50355 1 1185 . 1 . 1 142 142 VAL HG21 H 1 0.488 0.020 . 2 . . . . . 144 VAL HG2 . 50355 1 1186 . 1 . 1 142 142 VAL HG22 H 1 0.488 0.020 . 2 . . . . . 144 VAL HG2 . 50355 1 1187 . 1 . 1 142 142 VAL HG23 H 1 0.488 0.020 . 2 . . . . . 144 VAL HG2 . 50355 1 1188 . 1 . 1 142 142 VAL C C 13 172.827 0.3 . 1 . . . . . 144 VAL C . 50355 1 1189 . 1 . 1 142 142 VAL CA C 13 59.983 0.3 . 1 . . . . . 144 VAL CA . 50355 1 1190 . 1 . 1 142 142 VAL CB C 13 35.801 0.3 . 1 . . . . . 144 VAL CB . 50355 1 1191 . 1 . 1 142 142 VAL CG1 C 13 23.496 0.3 . 1 . . . . . 144 VAL CG1 . 50355 1 1192 . 1 . 1 142 142 VAL CG2 C 13 21.448 0.3 . 1 . . . . . 144 VAL CG2 . 50355 1 1193 . 1 . 1 142 142 VAL N N 15 118.586 0.3 . 1 . . . . . 144 VAL N . 50355 1 1194 . 1 . 1 143 143 SER H H 1 8.284 0.020 . 1 . . . . . 145 SER H . 50355 1 1195 . 1 . 1 143 143 SER HA H 1 4.564 0.020 . 1 . . . . . 145 SER HA . 50355 1 1196 . 1 . 1 143 143 SER HB2 H 1 3.578 0.020 . 2 . . . . . 145 SER HB2 . 50355 1 1197 . 1 . 1 143 143 SER HB3 H 1 3.747 0.020 . 2 . . . . . 145 SER HB3 . 50355 1 1198 . 1 . 1 143 143 SER C C 13 175.041 0.3 . 1 . . . . . 145 SER C . 50355 1 1199 . 1 . 1 143 143 SER CA C 13 56.059 0.3 . 1 . . . . . 145 SER CA . 50355 1 1200 . 1 . 1 143 143 SER CB C 13 64.958 0.3 . 1 . . . . . 145 SER CB . 50355 1 1201 . 1 . 1 143 143 SER N N 15 118.664 0.3 . 1 . . . . . 145 SER N . 50355 1 1202 . 1 . 1 144 144 LEU H H 1 9.309 0.020 . 1 . . . . . 146 LEU H . 50355 1 1203 . 1 . 1 144 144 LEU HA H 1 4.573 0.020 . 1 . . . . . 146 LEU HA . 50355 1 1204 . 1 . 1 144 144 LEU HB2 H 1 1.496 0.020 . 2 . . . . . 146 LEU HB2 . 50355 1 1205 . 1 . 1 144 144 LEU HB3 H 1 1.822 0.020 . 2 . . . . . 146 LEU HB3 . 50355 1 1206 . 1 . 1 144 144 LEU HD11 H 1 0.660 0.020 . 2 . . . . . 146 LEU HD1 . 50355 1 1207 . 1 . 1 144 144 LEU HD12 H 1 0.660 0.020 . 2 . . . . . 146 LEU HD1 . 50355 1 1208 . 1 . 1 144 144 LEU HD13 H 1 0.660 0.020 . 2 . . . . . 146 LEU HD1 . 50355 1 1209 . 1 . 1 144 144 LEU HD21 H 1 0.554 0.020 . 2 . . . . . 146 LEU HD2 . 50355 1 1210 . 1 . 1 144 144 LEU HD22 H 1 0.554 0.020 . 2 . . . . . 146 LEU HD2 . 50355 1 1211 . 1 . 1 144 144 LEU HD23 H 1 0.554 0.020 . 2 . . . . . 146 LEU HD2 . 50355 1 1212 . 1 . 1 144 144 LEU C C 13 176.651 0.3 . 1 . . . . . 146 LEU C . 50355 1 1213 . 1 . 1 144 144 LEU CA C 13 53.072 0.3 . 1 . . . . . 146 LEU CA . 50355 1 1214 . 1 . 1 144 144 LEU CB C 13 40.587 0.3 . 1 . . . . . 146 LEU CB . 50355 1 1215 . 1 . 1 144 144 LEU N N 15 124.915 0.3 . 1 . . . . . 146 LEU N . 50355 1 1216 . 1 . 1 145 145 ASP H H 1 7.768 0.020 . 1 . . . . . 147 ASP H . 50355 1 1217 . 1 . 1 145 145 ASP HA H 1 4.190 0.020 . 1 . . . . . 147 ASP HA . 50355 1 1218 . 1 . 1 145 145 ASP HB2 H 1 2.452 0.020 . 2 . . . . . 147 ASP HB2 . 50355 1 1219 . 1 . 1 145 145 ASP HB3 H 1 2.598 0.020 . 2 . . . . . 147 ASP HB3 . 50355 1 1220 . 1 . 1 145 145 ASP C C 13 176.484 0.3 . 1 . . . . . 147 ASP C . 50355 1 1221 . 1 . 1 145 145 ASP CA C 13 57.968 0.3 . 1 . . . . . 147 ASP CA . 50355 1 1222 . 1 . 1 145 145 ASP CB C 13 40.776 0.3 . 1 . . . . . 147 ASP CB . 50355 1 1223 . 1 . 1 145 145 ASP N N 15 119.055 0.3 . 1 . . . . . 147 ASP N . 50355 1 1224 . 1 . 1 146 146 ALA H H 1 8.926 0.020 . 1 . . . . . 148 ALA H . 50355 1 1225 . 1 . 1 146 146 ALA HA H 1 4.459 0.020 . 1 . . . . . 148 ALA HA . 50355 1 1226 . 1 . 1 146 146 ALA HB1 H 1 1.074 0.020 . 1 . . . . . 148 ALA HB . 50355 1 1227 . 1 . 1 146 146 ALA HB2 H 1 1.074 0.020 . 1 . . . . . 148 ALA HB . 50355 1 1228 . 1 . 1 146 146 ALA HB3 H 1 1.074 0.020 . 1 . . . . . 148 ALA HB . 50355 1 1229 . 1 . 1 146 146 ALA C C 13 176.484 0.3 . 1 . . . . . 148 ALA C . 50355 1 1230 . 1 . 1 146 146 ALA CA C 13 50.348 0.3 . 1 . . . . . 148 ALA CA . 50355 1 1231 . 1 . 1 146 146 ALA CB C 13 18.357 0.3 . 1 . . . . . 148 ALA CB . 50355 1 1232 . 1 . 1 146 146 ALA N N 15 121.633 0.3 . 1 . . . . . 148 ALA N . 50355 1 1233 . 1 . 1 147 147 LEU H H 1 7.338 0.020 . 1 . . . . . 149 LEU H . 50355 1 1234 . 1 . 1 147 147 LEU HA H 1 3.615 0.020 . 1 . . . . . 149 LEU HA . 50355 1 1235 . 1 . 1 147 147 LEU HB2 H 1 1.526 0.020 . 1 . . . . . 149 LEU HB2 . 50355 1 1236 . 1 . 1 147 147 LEU HB3 H 1 1.526 0.020 . 1 . . . . . 149 LEU HB3 . 50355 1 1237 . 1 . 1 147 147 LEU C C 13 176.410 0.3 . 1 . . . . . 149 LEU C . 50355 1 1238 . 1 . 1 147 147 LEU CA C 13 57.149 0.3 . 1 . . . . . 149 LEU CA . 50355 1 1239 . 1 . 1 147 147 LEU CB C 13 43.672 0.3 . 1 . . . . . 149 LEU CB . 50355 1 1240 . 1 . 1 147 147 LEU N N 15 120.149 0.3 . 1 . . . . . 149 LEU N . 50355 1 1241 . 1 . 1 148 148 ASN H H 1 9.364 0.020 . 1 . . . . . 150 ASN H . 50355 1 1242 . 1 . 1 148 148 ASN HA H 1 5.002 0.020 . 1 . . . . . 150 ASN HA . 50355 1 1243 . 1 . 1 148 148 ASN HB2 H 1 2.807 0.020 . 2 . . . . . 150 ASN HB2 . 50355 1 1244 . 1 . 1 148 148 ASN HB3 H 1 2.944 0.020 . 2 . . . . . 150 ASN HB3 . 50355 1 1245 . 1 . 1 148 148 ASN C C 13 176.672 0.3 . 1 . . . . . 150 ASN C . 50355 1 1246 . 1 . 1 148 148 ASN CA C 13 54.032 0.3 . 1 . . . . . 150 ASN CA . 50355 1 1247 . 1 . 1 148 148 ASN CB C 13 40.524 0.3 . 1 . . . . . 150 ASN CB . 50355 1 1248 . 1 . 1 148 148 ASN N N 15 121.243 0.3 . 1 . . . . . 150 ASN N . 50355 1 1249 . 1 . 1 149 149 THR H H 1 7.322 0.020 . 1 . . . . . 151 THR H . 50355 1 1250 . 1 . 1 149 149 THR HA H 1 5.339 0.020 . 1 . . . . . 151 THR HA . 50355 1 1251 . 1 . 1 149 149 THR HB H 1 3.702 0.020 . 1 . . . . . 151 THR HB . 50355 1 1252 . 1 . 1 149 149 THR C C 13 171.702 0.3 . 1 . . . . . 151 THR C . 50355 1 1253 . 1 . 1 149 149 THR CA C 13 62.546 0.3 . 1 . . . . . 151 THR CA . 50355 1 1254 . 1 . 1 149 149 THR CB C 13 71.642 0.3 . 1 . . . . . 151 THR CB . 50355 1 1255 . 1 . 1 149 149 THR N N 15 116.086 0.3 . 1 . . . . . 151 THR N . 50355 1 1256 . 1 . 1 150 150 LEU H H 1 9.317 0.020 . 1 . . . . . 152 LEU H . 50355 1 1257 . 1 . 1 150 150 LEU HA H 1 5.157 0.020 . 1 . . . . . 152 LEU HA . 50355 1 1258 . 1 . 1 150 150 LEU HB2 H 1 1.110 0.020 . 2 . . . . . 152 LEU HB2 . 50355 1 1259 . 1 . 1 150 150 LEU HB3 H 1 1.790 0.020 . 2 . . . . . 152 LEU HB3 . 50355 1 1260 . 1 . 1 150 150 LEU HG H 1 1.324 0.020 . 1 . . . . . 152 LEU HG . 50355 1 1261 . 1 . 1 150 150 LEU HD11 H 1 0.607 0.020 . 2 . . . . . 152 LEU HD1 . 50355 1 1262 . 1 . 1 150 150 LEU HD12 H 1 0.607 0.020 . 2 . . . . . 152 LEU HD1 . 50355 1 1263 . 1 . 1 150 150 LEU HD13 H 1 0.607 0.020 . 2 . . . . . 152 LEU HD1 . 50355 1 1264 . 1 . 1 150 150 LEU HD21 H 1 0.634 0.020 . 2 . . . . . 152 LEU HD2 . 50355 1 1265 . 1 . 1 150 150 LEU HD22 H 1 0.634 0.020 . 2 . . . . . 152 LEU HD2 . 50355 1 1266 . 1 . 1 150 150 LEU HD23 H 1 0.634 0.020 . 2 . . . . . 152 LEU HD2 . 50355 1 1267 . 1 . 1 150 150 LEU C C 13 173.535 0.3 . 1 . . . . . 152 LEU C . 50355 1 1268 . 1 . 1 150 150 LEU CA C 13 53.685 0.3 . 1 . . . . . 152 LEU CA . 50355 1 1269 . 1 . 1 150 150 LEU CB C 13 46.380 0.3 . 1 . . . . . 152 LEU CB . 50355 1 1270 . 1 . 1 150 150 LEU CG C 13 28.609 0.3 . 1 . . . . . 152 LEU CG . 50355 1 1271 . 1 . 1 150 150 LEU CD2 C 13 25.231 0.3 . 1 . . . . . 152 LEU CD2 . 50355 1 1272 . 1 . 1 150 150 LEU N N 15 129.994 0.3 . 1 . . . . . 152 LEU N . 50355 1 1273 . 1 . 1 151 151 VAL H H 1 9.331 0.020 . 1 . . . . . 153 VAL H . 50355 1 1274 . 1 . 1 151 151 VAL HA H 1 4.921 0.020 . 1 . . . . . 153 VAL HA . 50355 1 1275 . 1 . 1 151 151 VAL HB H 1 1.663 0.020 . 1 . . . . . 153 VAL HB . 50355 1 1276 . 1 . 1 151 151 VAL HG11 H 1 -0.199 0.020 . 2 . . . . . 153 VAL HG1 . 50355 1 1277 . 1 . 1 151 151 VAL HG12 H 1 -0.199 0.020 . 2 . . . . . 153 VAL HG1 . 50355 1 1278 . 1 . 1 151 151 VAL HG13 H 1 -0.199 0.020 . 2 . . . . . 153 VAL HG1 . 50355 1 1279 . 1 . 1 151 151 VAL HG21 H 1 0.678 0.020 . 2 . . . . . 153 VAL HG2 . 50355 1 1280 . 1 . 1 151 151 VAL HG22 H 1 0.678 0.020 . 2 . . . . . 153 VAL HG2 . 50355 1 1281 . 1 . 1 151 151 VAL HG23 H 1 0.678 0.020 . 2 . . . . . 153 VAL HG2 . 50355 1 1282 . 1 . 1 151 151 VAL C C 13 174.668 0.3 . 1 . . . . . 153 VAL C . 50355 1 1283 . 1 . 1 151 151 VAL CA C 13 60.206 0.3 . 1 . . . . . 153 VAL CA . 50355 1 1284 . 1 . 1 151 151 VAL CB C 13 34.099 0.3 . 1 . . . . . 153 VAL CB . 50355 1 1285 . 1 . 1 151 151 VAL CG1 C 13 19.122 0.3 . 1 . . . . . 153 VAL CG1 . 50355 1 1286 . 1 . 1 151 151 VAL CG2 C 13 21.470 0.3 . 1 . . . . . 153 VAL CG2 . 50355 1 1287 . 1 . 1 151 151 VAL N N 15 126.651 0.3 . 1 . . . . . 153 VAL N . 50355 1 1288 . 1 . 1 152 152 MET H H 1 8.793 0.020 . 1 . . . . . 154 MET H . 50355 1 1289 . 1 . 1 152 152 MET HA H 1 4.632 0.020 . 1 . . . . . 154 MET HA . 50355 1 1290 . 1 . 1 152 152 MET HB2 H 1 1.607 0.020 . 2 . . . . . 154 MET HB2 . 50355 1 1291 . 1 . 1 152 152 MET HB3 H 1 1.955 0.020 . 2 . . . . . 154 MET HB3 . 50355 1 1292 . 1 . 1 152 152 MET HE1 H 1 1.721 0.020 . 1 . . . . . 154 MET HE . 50355 1 1293 . 1 . 1 152 152 MET HE2 H 1 1.721 0.020 . 1 . . . . . 154 MET HE . 50355 1 1294 . 1 . 1 152 152 MET HE3 H 1 1.721 0.020 . 1 . . . . . 154 MET HE . 50355 1 1295 . 1 . 1 152 152 MET C C 13 172.011 0.3 . 1 . . . . . 154 MET C . 50355 1 1296 . 1 . 1 152 152 MET CA C 13 55.071 0.3 . 1 . . . . . 154 MET CA . 50355 1 1297 . 1 . 1 152 152 MET CB C 13 34.928 0.3 . 1 . . . . . 154 MET CB . 50355 1 1298 . 1 . 1 152 152 MET CG C 13 32.673 0.3 . 1 . . . . . 154 MET CG . 50355 1 1299 . 1 . 1 152 152 MET CE C 13 17.571 0.3 . 1 . . . . . 154 MET CE . 50355 1 1300 . 1 . 1 152 152 MET N N 15 126.165 0.3 . 1 . . . . . 154 MET N . 50355 1 1301 . 1 . 1 153 153 ASP H H 1 8.582 0.020 . 1 . . . . . 155 ASP H . 50355 1 1302 . 1 . 1 153 153 ASP HA H 1 5.152 0.020 . 1 . . . . . 155 ASP HA . 50355 1 1303 . 1 . 1 153 153 ASP HB2 H 1 1.722 0.020 . 2 . . . . . 155 ASP HB2 . 50355 1 1304 . 1 . 1 153 153 ASP HB3 H 1 2.506 0.020 . 2 . . . . . 155 ASP HB3 . 50355 1 1305 . 1 . 1 153 153 ASP C C 13 174.288 0.3 . 1 . . . . . 155 ASP C . 50355 1 1306 . 1 . 1 153 153 ASP CA C 13 53.119 0.3 . 1 . . . . . 155 ASP CA . 50355 1 1307 . 1 . 1 153 153 ASP CB C 13 43.484 0.3 . 1 . . . . . 155 ASP CB . 50355 1 1308 . 1 . 1 153 153 ASP N N 15 126.478 0.3 . 1 . . . . . 155 ASP N . 50355 1 1309 . 1 . 1 154 154 GLU H H 1 7.664 0.020 . 1 . . . . . 156 GLU H . 50355 1 1310 . 1 . 1 154 154 GLU HA H 1 4.098 0.020 . 1 . . . . . 156 GLU HA . 50355 1 1311 . 1 . 1 154 154 GLU HB2 H 1 2.014 0.020 . 1 . . . . . 156 GLU HB2 . 50355 1 1312 . 1 . 1 154 154 GLU HB3 H 1 2.014 0.020 . 1 . . . . . 156 GLU HB3 . 50355 1 1313 . 1 . 1 154 154 GLU C C 13 177.831 0.3 . 1 . . . . . 156 GLU C . 50355 1 1314 . 1 . 1 154 154 GLU CA C 13 57.152 0.3 . 1 . . . . . 156 GLU CA . 50355 1 1315 . 1 . 1 154 154 GLU CB C 13 27.544 0.3 . 1 . . . . . 156 GLU CB . 50355 1 1316 . 1 . 1 154 154 GLU N N 15 118.908 0.3 . 1 . . . . . 156 GLU N . 50355 1 1317 . 1 . 1 155 155 ALA H H 1 8.412 0.020 . 1 . . . . . 157 ALA H . 50355 1 1318 . 1 . 1 155 155 ALA HA H 1 3.712 0.020 . 1 . . . . . 157 ALA HA . 50355 1 1319 . 1 . 1 155 155 ALA HB1 H 1 1.069 0.020 . 1 . . . . . 157 ALA HB . 50355 1 1320 . 1 . 1 155 155 ALA HB2 H 1 1.069 0.020 . 1 . . . . . 157 ALA HB . 50355 1 1321 . 1 . 1 155 155 ALA HB3 H 1 1.069 0.020 . 1 . . . . . 157 ALA HB . 50355 1 1322 . 1 . 1 155 155 ALA C C 13 177.844 0.3 . 1 . . . . . 157 ALA C . 50355 1 1323 . 1 . 1 155 155 ALA CA C 13 56.003 0.3 . 1 . . . . . 157 ALA CA . 50355 1 1324 . 1 . 1 155 155 ALA CB C 13 18.512 0.3 . 1 . . . . . 157 ALA CB . 50355 1 1325 . 1 . 1 155 155 ALA N N 15 118.674 0.3 . 1 . . . . . 157 ALA N . 50355 1 1326 . 1 . 1 156 156 ASP H H 1 8.558 0.020 . 1 . . . . . 158 ASP H . 50355 1 1327 . 1 . 1 156 156 ASP HA H 1 3.788 0.020 . 1 . . . . . 158 ASP HA . 50355 1 1328 . 1 . 1 156 156 ASP HB2 H 1 2.511 0.020 . 1 . . . . . 158 ASP HB2 . 50355 1 1329 . 1 . 1 156 156 ASP C C 13 178.227 0.3 . 1 . . . . . 158 ASP C . 50355 1 1330 . 1 . 1 156 156 ASP CA C 13 56.330 0.3 . 1 . . . . . 158 ASP CA . 50355 1 1331 . 1 . 1 156 156 ASP CB C 13 37.375 0.3 . 1 . . . . . 158 ASP CB . 50355 1 1332 . 1 . 1 156 156 ASP N N 15 115.226 0.3 . 1 . . . . . 158 ASP N . 50355 1 1333 . 1 . 1 157 157 ARG H H 1 8.144 0.020 . 1 . . . . . 159 ARG H . 50355 1 1334 . 1 . 1 157 157 ARG HA H 1 4.071 0.020 . 1 . . . . . 159 ARG HA . 50355 1 1335 . 1 . 1 157 157 ARG HB2 H 1 1.904 0.020 . 2 . . . . . 159 ARG HB2 . 50355 1 1336 . 1 . 1 157 157 ARG HB3 H 1 2.041 0.020 . 2 . . . . . 159 ARG HB3 . 50355 1 1337 . 1 . 1 157 157 ARG C C 13 178.826 0.3 . 1 . . . . . 159 ARG C . 50355 1 1338 . 1 . 1 157 157 ARG CA C 13 58.471 0.3 . 1 . . . . . 159 ARG CA . 50355 1 1339 . 1 . 1 157 157 ARG CB C 13 29.944 0.3 . 1 . . . . . 159 ARG CB . 50355 1 1340 . 1 . 1 157 157 ARG N N 15 124.993 0.3 . 1 . . . . . 159 ARG N . 50355 1 1341 . 1 . 1 158 158 MET H H 1 8.033 0.020 . 1 . . . . . 160 MET H . 50355 1 1342 . 1 . 1 158 158 MET HA H 1 4.012 0.020 . 1 . . . . . 160 MET HA . 50355 1 1343 . 1 . 1 158 158 MET HB3 H 1 2.039 0.020 . 1 . . . . . 160 MET HB3 . 50355 1 1344 . 1 . 1 158 158 MET HE1 H 1 1.846 0.020 . 1 . . . . . 160 MET HE . 50355 1 1345 . 1 . 1 158 158 MET HE2 H 1 1.846 0.020 . 1 . . . . . 160 MET HE . 50355 1 1346 . 1 . 1 158 158 MET HE3 H 1 1.846 0.020 . 1 . . . . . 160 MET HE . 50355 1 1347 . 1 . 1 158 158 MET C C 13 177.807 0.3 . 1 . . . . . 160 MET C . 50355 1 1348 . 1 . 1 158 158 MET CA C 13 61.041 0.3 . 1 . . . . . 160 MET CA . 50355 1 1349 . 1 . 1 158 158 MET CB C 13 33.994 0.3 . 1 . . . . . 160 MET CB . 50355 1 1350 . 1 . 1 158 158 MET CG C 13 33.721 0.3 . 1 . . . . . 160 MET CG . 50355 1 1351 . 1 . 1 158 158 MET CE C 13 16.957 0.3 . 1 . . . . . 160 MET CE . 50355 1 1352 . 1 . 1 158 158 MET N N 15 116.021 0.3 . 1 . . . . . 160 MET N . 50355 1 1353 . 1 . 1 159 159 LEU H H 1 7.697 0.020 . 1 . . . . . 161 LEU H . 50355 1 1354 . 1 . 1 159 159 LEU HA H 1 3.994 0.020 . 1 . . . . . 161 LEU HA . 50355 1 1355 . 1 . 1 159 159 LEU HB2 H 1 1.585 0.020 . 2 . . . . . 161 LEU HB2 . 50355 1 1356 . 1 . 1 159 159 LEU HB3 H 1 1.714 0.020 . 2 . . . . . 161 LEU HB3 . 50355 1 1357 . 1 . 1 159 159 LEU HD11 H 1 0.622 0.020 . 2 . . . . . 161 LEU HD1 . 50355 1 1358 . 1 . 1 159 159 LEU HD12 H 1 0.622 0.020 . 2 . . . . . 161 LEU HD1 . 50355 1 1359 . 1 . 1 159 159 LEU HD13 H 1 0.622 0.020 . 2 . . . . . 161 LEU HD1 . 50355 1 1360 . 1 . 1 159 159 LEU HD21 H 1 0.643 0.020 . 2 . . . . . 161 LEU HD2 . 50355 1 1361 . 1 . 1 159 159 LEU HD22 H 1 0.643 0.020 . 2 . . . . . 161 LEU HD2 . 50355 1 1362 . 1 . 1 159 159 LEU HD23 H 1 0.643 0.020 . 2 . . . . . 161 LEU HD2 . 50355 1 1363 . 1 . 1 159 159 LEU C C 13 181.464 0.3 . 1 . . . . . 161 LEU C . 50355 1 1364 . 1 . 1 159 159 LEU CA C 13 57.842 0.3 . 1 . . . . . 161 LEU CA . 50355 1 1365 . 1 . 1 159 159 LEU CB C 13 39.705 0.3 . 1 . . . . . 161 LEU CB . 50355 1 1366 . 1 . 1 159 159 LEU CD1 C 13 22.901 0.3 . 1 . . . . . 161 LEU CD1 . 50355 1 1367 . 1 . 1 159 159 LEU CD2 C 13 24.905 0.3 . 1 . . . . . 161 LEU CD2 . 50355 1 1368 . 1 . 1 159 159 LEU N N 15 118.948 0.3 . 1 . . . . . 161 LEU N . 50355 1 1369 . 1 . 1 160 160 ASP H H 1 8.159 0.020 . 1 . . . . . 162 ASP H . 50355 1 1370 . 1 . 1 160 160 ASP HA H 1 4.267 0.020 . 1 . . . . . 162 ASP HA . 50355 1 1371 . 1 . 1 160 160 ASP HB2 H 1 2.602 0.020 . 2 . . . . . 162 ASP HB2 . 50355 1 1372 . 1 . 1 160 160 ASP HB3 H 1 2.721 0.020 . 2 . . . . . 162 ASP HB3 . 50355 1 1373 . 1 . 1 160 160 ASP C C 13 177.864 0.3 . 1 . . . . . 162 ASP C . 50355 1 1374 . 1 . 1 160 160 ASP CA C 13 57.527 0.3 . 1 . . . . . 162 ASP CA . 50355 1 1375 . 1 . 1 160 160 ASP CB C 13 40.650 0.3 . 1 . . . . . 162 ASP CB . 50355 1 1376 . 1 . 1 160 160 ASP N N 15 123.743 0.3 . 1 . . . . . 162 ASP N . 50355 1 1377 . 1 . 1 161 161 MET H H 1 7.606 0.020 . 1 . . . . . 163 MET H . 50355 1 1378 . 1 . 1 161 161 MET HA H 1 4.085 0.020 . 1 . . . . . 163 MET HA . 50355 1 1379 . 1 . 1 161 161 MET HB2 H 1 2.684 0.020 . 2 . . . . . 163 MET HB2 . 50355 1 1380 . 1 . 1 161 161 MET HB3 H 1 2.422 0.020 . 2 . . . . . 163 MET HB3 . 50355 1 1381 . 1 . 1 161 161 MET HG2 H 1 1.958 0.020 . 2 . . . . . 163 MET HG2 . 50355 1 1382 . 1 . 1 161 161 MET HG3 H 1 1.595 0.020 . 2 . . . . . 163 MET HG3 . 50355 1 1383 . 1 . 1 161 161 MET HE1 H 1 2.070 0.020 . 1 . . . . . 163 MET HE . 50355 1 1384 . 1 . 1 161 161 MET HE2 H 1 2.070 0.020 . 1 . . . . . 163 MET HE . 50355 1 1385 . 1 . 1 161 161 MET HE3 H 1 2.070 0.020 . 1 . . . . . 163 MET HE . 50355 1 1386 . 1 . 1 161 161 MET C C 13 175.632 0.3 . 1 . . . . . 163 MET C . 50355 1 1387 . 1 . 1 161 161 MET CA C 13 55.996 0.3 . 1 . . . . . 163 MET CA . 50355 1 1388 . 1 . 1 161 161 MET CB C 13 33.091 0.3 . 1 . . . . . 163 MET CB . 50355 1 1389 . 1 . 1 161 161 MET CG C 13 33.377 0.3 . 1 . . . . . 163 MET CG . 50355 1 1390 . 1 . 1 161 161 MET CE C 13 17.249 0.3 . 1 . . . . . 163 MET CE . 50355 1 1391 . 1 . 1 161 161 MET N N 15 115.783 0.3 . 1 . . . . . 163 MET N . 50355 1 1392 . 1 . 1 162 162 GLY H H 1 7.455 0.020 . 1 . . . . . 164 GLY H . 50355 1 1393 . 1 . 1 162 162 GLY HA2 H 1 3.930 0.020 . 2 . . . . . 164 GLY HA2 . 50355 1 1394 . 1 . 1 162 162 GLY HA3 H 1 3.998 0.020 . 2 . . . . . 164 GLY HA3 . 50355 1 1395 . 1 . 1 162 162 GLY C C 13 176.979 0.3 . 1 . . . . . 164 GLY C . 50355 1 1396 . 1 . 1 162 162 GLY CA C 13 46.003 0.3 . 1 . . . . . 164 GLY CA . 50355 1 1397 . 1 . 1 162 162 GLY N N 15 105.303 0.3 . 1 . . . . . 164 GLY N . 50355 1 1398 . 1 . 1 163 163 PHE H H 1 7.572 0.020 . 1 . . . . . 165 PHE H . 50355 1 1399 . 1 . 1 163 163 PHE HA H 1 5.052 0.020 . 1 . . . . . 165 PHE HA . 50355 1 1400 . 1 . 1 163 163 PHE HB2 H 1 2.766 0.020 . 2 . . . . . 165 PHE HB2 . 50355 1 1401 . 1 . 1 163 163 PHE HB3 H 1 3.464 0.020 . 2 . . . . . 165 PHE HB3 . 50355 1 1402 . 1 . 1 163 163 PHE C C 13 175.311 0.3 . 1 . . . . . 165 PHE C . 50355 1 1403 . 1 . 1 163 163 PHE CA C 13 56.963 0.3 . 1 . . . . . 165 PHE CA . 50355 1 1404 . 1 . 1 163 163 PHE CB C 13 38.208 0.3 . 1 . . . . . 165 PHE CB . 50355 1 1405 . 1 . 1 163 163 PHE N N 15 115.734 0.3 . 1 . . . . . 165 PHE N . 50355 1 1406 . 1 . 1 164 164 SER H H 1 8.676 0.020 . 1 . . . . . 166 SER H . 50355 1 1407 . 1 . 1 164 164 SER HA H 1 3.637 0.020 . 1 . . . . . 166 SER HA . 50355 1 1408 . 1 . 1 164 164 SER HB2 H 1 3.875 0.020 . 1 . . . . . 166 SER HB2 . 50355 1 1409 . 1 . 1 164 164 SER HB3 H 1 3.875 0.020 . 1 . . . . . 166 SER HB3 . 50355 1 1410 . 1 . 1 164 164 SER C C 13 175.982 0.3 . 1 . . . . . 166 SER C . 50355 1 1411 . 1 . 1 164 164 SER CA C 13 64.039 0.3 . 1 . . . . . 166 SER CA . 50355 1 1412 . 1 . 1 164 164 SER CB C 13 62.794 0.3 . 1 . . . . . 166 SER CB . 50355 1 1413 . 1 . 1 164 164 SER N N 15 116.555 0.3 . 1 . . . . . 166 SER N . 50355 1 1414 . 1 . 1 165 165 ASP H H 1 8.433 0.020 . 1 . . . . . 167 ASP H . 50355 1 1415 . 1 . 1 165 165 ASP HA H 1 4.235 0.020 . 1 . . . . . 167 ASP HA . 50355 1 1416 . 1 . 1 165 165 ASP HB2 H 1 2.602 0.020 . 1 . . . . . 167 ASP HB2 . 50355 1 1417 . 1 . 1 165 165 ASP HB3 H 1 2.602 0.020 . 1 . . . . . 167 ASP HB3 . 50355 1 1418 . 1 . 1 165 165 ASP C C 13 177.759 0.3 . 1 . . . . . 167 ASP C . 50355 1 1419 . 1 . 1 165 165 ASP CA C 13 57.653 0.3 . 1 . . . . . 167 ASP CA . 50355 1 1420 . 1 . 1 165 165 ASP CB C 13 39.453 0.3 . 1 . . . . . 167 ASP CB . 50355 1 1421 . 1 . 1 165 165 ASP N N 15 119.524 0.3 . 1 . . . . . 167 ASP N . 50355 1 1422 . 1 . 1 166 166 ALA H H 1 7.972 0.020 . 1 . . . . . 168 ALA H . 50355 1 1423 . 1 . 1 166 166 ALA HA H 1 4.085 0.020 . 1 . . . . . 168 ALA HA . 50355 1 1424 . 1 . 1 166 166 ALA HB1 H 1 1.307 0.020 . 1 . . . . . 168 ALA HB . 50355 1 1425 . 1 . 1 166 166 ALA HB2 H 1 1.307 0.020 . 1 . . . . . 168 ALA HB . 50355 1 1426 . 1 . 1 166 166 ALA HB3 H 1 1.307 0.020 . 1 . . . . . 168 ALA HB . 50355 1 1427 . 1 . 1 166 166 ALA C C 13 179.537 0.3 . 1 . . . . . 168 ALA C . 50355 1 1428 . 1 . 1 166 166 ALA CA C 13 55.071 0.3 . 1 . . . . . 168 ALA CA . 50355 1 1429 . 1 . 1 166 166 ALA CB C 13 17.790 0.3 . 1 . . . . . 168 ALA CB . 50355 1 1430 . 1 . 1 166 166 ALA N N 15 122.883 0.3 . 1 . . . . . 168 ALA N . 50355 1 1431 . 1 . 1 167 167 ILE H H 1 8.274 0.020 . 1 . . . . . 169 ILE H . 50355 1 1432 . 1 . 1 167 167 ILE HA H 1 3.218 0.020 . 1 . . . . . 169 ILE HA . 50355 1 1433 . 1 . 1 167 167 ILE HB H 1 1.902 0.020 . 1 . . . . . 169 ILE HB . 50355 1 1434 . 1 . 1 167 167 ILE HG21 H 1 0.720 0.020 . 1 . . . . . 169 ILE HG2 . 50355 1 1435 . 1 . 1 167 167 ILE HG22 H 1 0.720 0.020 . 1 . . . . . 169 ILE HG2 . 50355 1 1436 . 1 . 1 167 167 ILE HG23 H 1 0.720 0.020 . 1 . . . . . 169 ILE HG2 . 50355 1 1437 . 1 . 1 167 167 ILE HD11 H 1 0.674 0.020 . 1 . . . . . 169 ILE HD1 . 50355 1 1438 . 1 . 1 167 167 ILE HD12 H 1 0.674 0.020 . 1 . . . . . 169 ILE HD1 . 50355 1 1439 . 1 . 1 167 167 ILE HD13 H 1 0.674 0.020 . 1 . . . . . 169 ILE HD1 . 50355 1 1440 . 1 . 1 167 167 ILE C C 13 176.892 0.3 . 1 . . . . . 169 ILE C . 50355 1 1441 . 1 . 1 167 167 ILE CA C 13 66.343 0.3 . 1 . . . . . 169 ILE CA . 50355 1 1442 . 1 . 1 167 167 ILE CB C 13 37.448 0.3 . 1 . . . . . 169 ILE CB . 50355 1 1443 . 1 . 1 167 167 ILE CG2 C 13 13.283 0.3 . 1 . . . . . 169 ILE CG2 . 50355 1 1444 . 1 . 1 167 167 ILE CD1 C 13 17.423 0.3 . 1 . . . . . 169 ILE CD1 . 50355 1 1445 . 1 . 1 167 167 ILE N N 15 117.190 0.3 . 1 . . . . . 169 ILE N . 50355 1 1446 . 1 . 1 168 168 ASP H H 1 7.583 0.020 . 1 . . . . . 170 ASP H . 50355 1 1447 . 1 . 1 168 168 ASP HA H 1 4.149 0.020 . 1 . . . . . 170 ASP HA . 50355 1 1448 . 1 . 1 168 168 ASP HB2 H 1 2.484 0.020 . 2 . . . . . 170 ASP HB2 . 50355 1 1449 . 1 . 1 168 168 ASP HB3 H 1 2.730 0.020 . 2 . . . . . 170 ASP HB3 . 50355 1 1450 . 1 . 1 168 168 ASP C C 13 179.139 0.3 . 1 . . . . . 170 ASP C . 50355 1 1451 . 1 . 1 168 168 ASP CA C 13 57.968 0.3 . 1 . . . . . 170 ASP CA . 50355 1 1452 . 1 . 1 168 168 ASP CB C 13 40.524 0.3 . 1 . . . . . 170 ASP CB . 50355 1 1453 . 1 . 1 168 168 ASP N N 15 119.619 0.3 . 1 . . . . . 170 ASP N . 50355 1 1454 . 1 . 1 169 169 ASP H H 1 7.956 0.020 . 1 . . . . . 171 ASP H . 50355 1 1455 . 1 . 1 169 169 ASP HA H 1 4.431 0.020 . 1 . . . . . 171 ASP HA . 50355 1 1456 . 1 . 1 169 169 ASP HB2 H 1 2.575 0.020 . 2 . . . . . 171 ASP HB2 . 50355 1 1457 . 1 . 1 169 169 ASP HB3 H 1 2.780 0.020 . 2 . . . . . 171 ASP HB3 . 50355 1 1458 . 1 . 1 169 169 ASP C C 13 179.035 0.3 . 1 . . . . . 171 ASP C . 50355 1 1459 . 1 . 1 169 169 ASP CA C 13 57.716 0.3 . 1 . . . . . 171 ASP CA . 50355 1 1460 . 1 . 1 169 169 ASP CB C 13 41.405 0.3 . 1 . . . . . 171 ASP CB . 50355 1 1461 . 1 . 1 169 169 ASP N N 15 120.227 0.3 . 1 . . . . . 171 ASP N . 50355 1 1462 . 1 . 1 170 170 VAL H H 1 8.543 0.020 . 1 . . . . . 172 VAL H . 50355 1 1463 . 1 . 1 170 170 VAL HA H 1 3.460 0.020 . 1 . . . . . 172 VAL HA . 50355 1 1464 . 1 . 1 170 170 VAL HB H 1 2.256 0.020 . 1 . . . . . 172 VAL HB . 50355 1 1465 . 1 . 1 170 170 VAL HG11 H 1 0.596 0.020 . 2 . . . . . 172 VAL HG1 . 50355 1 1466 . 1 . 1 170 170 VAL HG12 H 1 0.596 0.020 . 2 . . . . . 172 VAL HG1 . 50355 1 1467 . 1 . 1 170 170 VAL HG13 H 1 0.596 0.020 . 2 . . . . . 172 VAL HG1 . 50355 1 1468 . 1 . 1 170 170 VAL HG21 H 1 0.928 0.020 . 2 . . . . . 172 VAL HG2 . 50355 1 1469 . 1 . 1 170 170 VAL HG22 H 1 0.928 0.020 . 2 . . . . . 172 VAL HG2 . 50355 1 1470 . 1 . 1 170 170 VAL HG23 H 1 0.928 0.020 . 2 . . . . . 172 VAL HG2 . 50355 1 1471 . 1 . 1 170 170 VAL C C 13 178.136 0.3 . 1 . . . . . 172 VAL C . 50355 1 1472 . 1 . 1 170 170 VAL CA C 13 66.973 0.3 . 1 . . . . . 172 VAL CA . 50355 1 1473 . 1 . 1 170 170 VAL CB C 13 31.456 0.3 . 1 . . . . . 172 VAL CB . 50355 1 1474 . 1 . 1 170 170 VAL CG1 C 13 21.470 0.3 . 1 . . . . . 172 VAL CG1 . 50355 1 1475 . 1 . 1 170 170 VAL CG2 C 13 23.989 0.3 . 1 . . . . . 172 VAL CG2 . 50355 1 1476 . 1 . 1 170 170 VAL N N 15 121.321 0.3 . 1 . . . . . 172 VAL N . 50355 1 1477 . 1 . 1 171 171 ILE H H 1 8.105 0.020 . 1 . . . . . 173 ILE H . 50355 1 1478 . 1 . 1 171 171 ILE HA H 1 3.395 0.020 . 1 . . . . . 173 ILE HA . 50355 1 1479 . 1 . 1 171 171 ILE HB H 1 2.005 0.020 . 1 . . . . . 173 ILE HB . 50355 1 1480 . 1 . 1 171 171 ILE HG12 H 1 1.196 0.020 . 2 . . . . . 173 ILE HG12 . 50355 1 1481 . 1 . 1 171 171 ILE HG13 H 1 1.493 0.020 . 2 . . . . . 173 ILE HG13 . 50355 1 1482 . 1 . 1 171 171 ILE HG21 H 1 0.763 0.020 . 1 . . . . . 173 ILE HG2 . 50355 1 1483 . 1 . 1 171 171 ILE HG22 H 1 0.763 0.020 . 1 . . . . . 173 ILE HG2 . 50355 1 1484 . 1 . 1 171 171 ILE HG23 H 1 0.763 0.020 . 1 . . . . . 173 ILE HG2 . 50355 1 1485 . 1 . 1 171 171 ILE HD11 H 1 0.545 0.020 . 1 . . . . . 173 ILE HD1 . 50355 1 1486 . 1 . 1 171 171 ILE HD12 H 1 0.545 0.020 . 1 . . . . . 173 ILE HD1 . 50355 1 1487 . 1 . 1 171 171 ILE HD13 H 1 0.545 0.020 . 1 . . . . . 173 ILE HD1 . 50355 1 1488 . 1 . 1 171 171 ILE C C 13 178.400 0.3 . 1 . . . . . 173 ILE C . 50355 1 1489 . 1 . 1 171 171 ILE CA C 13 63.479 0.3 . 1 . . . . . 173 ILE CA . 50355 1 1490 . 1 . 1 171 171 ILE CB C 13 36.116 0.3 . 1 . . . . . 173 ILE CB . 50355 1 1491 . 1 . 1 171 171 ILE CG1 C 13 29.427 0.3 . 1 . . . . . 173 ILE CG1 . 50355 1 1492 . 1 . 1 171 171 ILE CG2 C 13 17.806 0.3 . 1 . . . . . 173 ILE CG2 . 50355 1 1493 . 1 . 1 171 171 ILE CD1 C 13 12.024 0.3 . 1 . . . . . 173 ILE CD1 . 50355 1 1494 . 1 . 1 171 171 ILE N N 15 118.195 0.3 . 1 . . . . . 173 ILE N . 50355 1 1495 . 1 . 1 172 172 ARG H H 1 7.334 0.020 . 1 . . . . . 174 ARG H . 50355 1 1496 . 1 . 1 172 172 ARG HA H 1 3.948 0.020 . 1 . . . . . 174 ARG HA . 50355 1 1497 . 1 . 1 172 172 ARG HB2 H 1 1.631 0.020 . 2 . . . . . 174 ARG HB2 . 50355 1 1498 . 1 . 1 172 172 ARG HB3 H 1 1.767 0.020 . 2 . . . . . 174 ARG HB3 . 50355 1 1499 . 1 . 1 172 172 ARG C C 13 177.906 0.3 . 1 . . . . . 174 ARG C . 50355 1 1500 . 1 . 1 172 172 ARG CA C 13 59.101 0.3 . 1 . . . . . 174 ARG CA . 50355 1 1501 . 1 . 1 172 172 ARG CB C 13 29.944 0.3 . 1 . . . . . 174 ARG CB . 50355 1 1502 . 1 . 1 172 172 ARG N N 15 120.271 0.3 . 1 . . . . . 174 ARG N . 50355 1 1503 . 1 . 1 173 173 PHE H H 1 7.737 0.020 . 1 . . . . . 175 PHE H . 50355 1 1504 . 1 . 1 173 173 PHE HA H 1 4.254 0.020 . 1 . . . . . 175 PHE HA . 50355 1 1505 . 1 . 1 173 173 PHE HB2 H 1 3.168 0.020 . 1 . . . . . 175 PHE HB2 . 50355 1 1506 . 1 . 1 173 173 PHE HB3 H 1 3.168 0.020 . 1 . . . . . 175 PHE HB3 . 50355 1 1507 . 1 . 1 173 173 PHE C C 13 175.595 0.3 . 1 . . . . . 175 PHE C . 50355 1 1508 . 1 . 1 173 173 PHE CA C 13 59.410 0.3 . 1 . . . . . 175 PHE CA . 50355 1 1509 . 1 . 1 173 173 PHE CB C 13 40.466 0.3 . 1 . . . . . 175 PHE CB . 50355 1 1510 . 1 . 1 173 173 PHE N N 15 115.695 0.3 . 1 . . . . . 175 PHE N . 50355 1 1511 . 1 . 1 174 174 ALA H H 1 7.721 0.020 . 1 . . . . . 176 ALA H . 50355 1 1512 . 1 . 1 174 174 ALA C C 13 173.807 0.3 . 1 . . . . . 176 ALA C . 50355 1 1513 . 1 . 1 174 174 ALA CA C 13 49.655 0.3 . 1 . . . . . 176 ALA CA . 50355 1 1514 . 1 . 1 174 174 ALA CB C 13 18.294 0.3 . 1 . . . . . 176 ALA CB . 50355 1 1515 . 1 . 1 174 174 ALA N N 15 123.743 0.3 . 1 . . . . . 176 ALA N . 50355 1 1516 . 1 . 1 176 176 ALA H H 1 8.605 0.020 . 1 . . . . . 178 ALA H . 50355 1 1517 . 1 . 1 176 176 ALA HA H 1 3.984 0.020 . 1 . . . . . 178 ALA HA . 50355 1 1518 . 1 . 1 176 176 ALA HB1 H 1 1.330 0.020 . 1 . . . . . 178 ALA HB . 50355 1 1519 . 1 . 1 176 176 ALA HB2 H 1 1.330 0.020 . 1 . . . . . 178 ALA HB . 50355 1 1520 . 1 . 1 176 176 ALA HB3 H 1 1.330 0.020 . 1 . . . . . 178 ALA HB . 50355 1 1521 . 1 . 1 176 176 ALA C C 13 178.575 0.3 . 1 . . . . . 178 ALA C . 50355 1 1522 . 1 . 1 176 176 ALA CA C 13 54.000 0.3 . 1 . . . . . 178 ALA CA . 50355 1 1523 . 1 . 1 176 176 ALA CB C 13 18.798 0.3 . 1 . . . . . 178 ALA CB . 50355 1 1524 . 1 . 1 176 176 ALA N N 15 125.462 0.3 . 1 . . . . . 178 ALA N . 50355 1 1525 . 1 . 1 177 177 SER H H 1 7.690 0.020 . 1 . . . . . 179 SER H . 50355 1 1526 . 1 . 1 177 177 SER HA H 1 4.276 0.020 . 1 . . . . . 179 SER HA . 50355 1 1527 . 1 . 1 177 177 SER HB2 H 1 3.761 0.020 . 2 . . . . . 179 SER HB2 . 50355 1 1528 . 1 . 1 177 177 SER HB3 H 1 3.875 0.020 . 2 . . . . . 179 SER HB3 . 50355 1 1529 . 1 . 1 177 177 SER C C 13 172.901 0.3 . 1 . . . . . 179 SER C . 50355 1 1530 . 1 . 1 177 177 SER CA C 13 57.464 0.3 . 1 . . . . . 179 SER CA . 50355 1 1531 . 1 . 1 177 177 SER CB C 13 62.439 0.3 . 1 . . . . . 179 SER CB . 50355 1 1532 . 1 . 1 177 177 SER N N 15 110.929 0.3 . 1 . . . . . 179 SER N . 50355 1 1533 . 1 . 1 178 178 ARG H H 1 7.072 0.020 . 1 . . . . . 180 ARG H . 50355 1 1534 . 1 . 1 178 178 ARG HA H 1 4.422 0.020 . 1 . . . . . 180 ARG HA . 50355 1 1535 . 1 . 1 178 178 ARG HB2 H 1 1.141 0.020 . 2 . . . . . 180 ARG HB2 . 50355 1 1536 . 1 . 1 178 178 ARG HB3 H 1 1.485 0.020 . 2 . . . . . 180 ARG HB3 . 50355 1 1537 . 1 . 1 178 178 ARG C C 13 173.159 0.3 . 1 . . . . . 180 ARG C . 50355 1 1538 . 1 . 1 178 178 ARG CA C 13 54.819 0.3 . 1 . . . . . 180 ARG CA . 50355 1 1539 . 1 . 1 178 178 ARG CB C 13 30.510 0.3 . 1 . . . . . 180 ARG CB . 50355 1 1540 . 1 . 1 178 178 ARG N N 15 120.149 0.3 . 1 . . . . . 180 ARG N . 50355 1 1541 . 1 . 1 179 179 GLN H H 1 8.428 0.020 . 1 . . . . . 181 GLN H . 50355 1 1542 . 1 . 1 179 179 GLN HA H 1 4.865 0.020 . 1 . . . . . 181 GLN HA . 50355 1 1543 . 1 . 1 179 179 GLN HB2 H 1 1.795 0.020 . 2 . . . . . 181 GLN HB2 . 50355 1 1544 . 1 . 1 179 179 GLN HB3 H 1 2.201 0.020 . 2 . . . . . 181 GLN HB3 . 50355 1 1545 . 1 . 1 179 179 GLN C C 13 175.113 0.3 . 1 . . . . . 181 GLN C . 50355 1 1546 . 1 . 1 179 179 GLN CA C 13 54.500 0.3 . 1 . . . . . 181 GLN CA . 50355 1 1547 . 1 . 1 179 179 GLN CB C 13 29.600 0.3 . 1 . . . . . 181 GLN CB . 50355 1 1548 . 1 . 1 179 179 GLN N N 15 125.725 0.3 . 1 . . . . . 181 GLN N . 50355 1 1549 . 1 . 1 180 180 THR H H 1 9.458 0.020 . 1 . . . . . 182 THR H . 50355 1 1550 . 1 . 1 180 180 THR HA H 1 5.429 0.020 . 1 . . . . . 182 THR HA . 50355 1 1551 . 1 . 1 180 180 THR HB H 1 4.012 0.020 . 1 . . . . . 182 THR HB . 50355 1 1552 . 1 . 1 180 180 THR C C 13 174.351 0.3 . 1 . . . . . 182 THR C . 50355 1 1553 . 1 . 1 180 180 THR CA C 13 61.978 0.3 . 1 . . . . . 182 THR CA . 50355 1 1554 . 1 . 1 180 180 THR CB C 13 69.051 0.3 . 1 . . . . . 182 THR CB . 50355 1 1555 . 1 . 1 180 180 THR N N 15 126.321 0.3 . 1 . . . . . 182 THR N . 50355 1 1556 . 1 . 1 181 181 LEU H H 1 9.270 0.020 . 1 . . . . . 183 LEU H . 50355 1 1557 . 1 . 1 181 181 LEU HA H 1 4.910 0.020 . 1 . . . . . 183 LEU HA . 50355 1 1558 . 1 . 1 181 181 LEU HB2 H 1 1.990 0.020 . 2 . . . . . 183 LEU HB2 . 50355 1 1559 . 1 . 1 181 181 LEU HB3 H 1 1.358 0.020 . 2 . . . . . 183 LEU HB3 . 50355 1 1560 . 1 . 1 181 181 LEU HG H 1 1.631 0.020 . 1 . . . . . 183 LEU HG . 50355 1 1561 . 1 . 1 181 181 LEU HD11 H 1 0.938 0.020 . 2 . . . . . 183 LEU HD1 . 50355 1 1562 . 1 . 1 181 181 LEU HD12 H 1 0.938 0.020 . 2 . . . . . 183 LEU HD1 . 50355 1 1563 . 1 . 1 181 181 LEU HD13 H 1 0.938 0.020 . 2 . . . . . 183 LEU HD1 . 50355 1 1564 . 1 . 1 181 181 LEU HD21 H 1 1.044 0.020 . 2 . . . . . 183 LEU HD2 . 50355 1 1565 . 1 . 1 181 181 LEU HD22 H 1 1.044 0.020 . 2 . . . . . 183 LEU HD2 . 50355 1 1566 . 1 . 1 181 181 LEU HD23 H 1 1.044 0.020 . 2 . . . . . 183 LEU HD2 . 50355 1 1567 . 1 . 1 181 181 LEU C C 13 173.679 0.3 . 1 . . . . . 183 LEU C . 50355 1 1568 . 1 . 1 181 181 LEU CA C 13 52.930 0.3 . 1 . . . . . 183 LEU CA . 50355 1 1569 . 1 . 1 181 181 LEU CB C 13 44.749 0.3 . 1 . . . . . 183 LEU CB . 50355 1 1570 . 1 . 1 181 181 LEU CD1 C 13 25.702 0.3 . 1 . . . . . 183 LEU CD1 . 50355 1 1571 . 1 . 1 181 181 LEU CD2 C 13 25.465 0.3 . 1 . . . . . 183 LEU CD2 . 50355 1 1572 . 1 . 1 181 181 LEU N N 15 127.806 0.3 . 1 . . . . . 183 LEU N . 50355 1 1573 . 1 . 1 182 182 LEU H H 1 7.878 0.020 . 1 . . . . . 184 LEU H . 50355 1 1574 . 1 . 1 182 182 LEU HA H 1 5.097 0.020 . 1 . . . . . 184 LEU HA . 50355 1 1575 . 1 . 1 182 182 LEU HB2 H 1 1.317 0.020 . 2 . . . . . 184 LEU HB2 . 50355 1 1576 . 1 . 1 182 182 LEU HB3 H 1 1.676 0.020 . 2 . . . . . 184 LEU HB3 . 50355 1 1577 . 1 . 1 182 182 LEU HG H 1 1.562 0.020 . 1 . . . . . 184 LEU HG . 50355 1 1578 . 1 . 1 182 182 LEU HD11 H 1 0.653 0.020 . 2 . . . . . 184 LEU HD1 . 50355 1 1579 . 1 . 1 182 182 LEU HD12 H 1 0.653 0.020 . 2 . . . . . 184 LEU HD1 . 50355 1 1580 . 1 . 1 182 182 LEU HD13 H 1 0.653 0.020 . 2 . . . . . 184 LEU HD1 . 50355 1 1581 . 1 . 1 182 182 LEU HD21 H 1 0.709 0.020 . 2 . . . . . 184 LEU HD2 . 50355 1 1582 . 1 . 1 182 182 LEU HD22 H 1 0.709 0.020 . 2 . . . . . 184 LEU HD2 . 50355 1 1583 . 1 . 1 182 182 LEU HD23 H 1 0.709 0.020 . 2 . . . . . 184 LEU HD2 . 50355 1 1584 . 1 . 1 182 182 LEU C C 13 173.660 0.3 . 1 . . . . . 184 LEU C . 50355 1 1585 . 1 . 1 182 182 LEU CA C 13 55.134 0.3 . 1 . . . . . 184 LEU CA . 50355 1 1586 . 1 . 1 182 182 LEU CB C 13 46.895 0.3 . 1 . . . . . 184 LEU CB . 50355 1 1587 . 1 . 1 182 182 LEU CG C 13 29.480 0.3 . 1 . . . . . 184 LEU CG . 50355 1 1588 . 1 . 1 182 182 LEU CD1 C 13 25.534 0.3 . 1 . . . . . 184 LEU CD1 . 50355 1 1589 . 1 . 1 182 182 LEU CD2 C 13 25.695 0.3 . 1 . . . . . 184 LEU CD2 . 50355 1 1590 . 1 . 1 182 182 LEU N N 15 125.931 0.3 . 1 . . . . . 184 LEU N . 50355 1 1591 . 1 . 1 183 183 PHE H H 1 8.840 0.020 . 1 . . . . . 185 PHE H . 50355 1 1592 . 1 . 1 183 183 PHE HA H 1 5.480 0.020 . 1 . . . . . 185 PHE HA . 50355 1 1593 . 1 . 1 183 183 PHE HB2 H 1 2.953 0.020 . 2 . . . . . 185 PHE HB2 . 50355 1 1594 . 1 . 1 183 183 PHE HB3 H 1 3.565 0.020 . 2 . . . . . 185 PHE HB3 . 50355 1 1595 . 1 . 1 183 183 PHE C C 13 174.495 0.3 . 1 . . . . . 185 PHE C . 50355 1 1596 . 1 . 1 183 183 PHE CA C 13 56.203 0.3 . 1 . . . . . 185 PHE CA . 50355 1 1597 . 1 . 1 183 183 PHE CB C 13 42.728 0.3 . 1 . . . . . 185 PHE CB . 50355 1 1598 . 1 . 1 183 183 PHE N N 15 123.743 0.3 . 1 . . . . . 185 PHE N . 50355 1 1599 . 1 . 1 184 184 SER H H 1 8.621 0.020 . 1 . . . . . 186 SER H . 50355 1 1600 . 1 . 1 184 184 SER C C 13 173.729 0.3 . 1 . . . . . 186 SER C . 50355 1 1601 . 1 . 1 184 184 SER CA C 13 58.471 0.3 . 1 . . . . . 186 SER CA . 50355 1 1602 . 1 . 1 184 184 SER CB C 13 65.084 0.3 . 1 . . . . . 186 SER CB . 50355 1 1603 . 1 . 1 184 184 SER N N 15 115.539 0.3 . 1 . . . . . 186 SER N . 50355 1 1604 . 1 . 1 185 185 ALA HA H 1 4.230 0.020 . 1 . . . . . 187 ALA HA . 50355 1 1605 . 1 . 1 185 185 ALA HB1 H 1 1.586 0.020 . 1 . . . . . 187 ALA HB . 50355 1 1606 . 1 . 1 185 185 ALA HB2 H 1 1.586 0.020 . 1 . . . . . 187 ALA HB . 50355 1 1607 . 1 . 1 185 185 ALA HB3 H 1 1.586 0.020 . 1 . . . . . 187 ALA HB . 50355 1 1608 . 1 . 1 185 185 ALA CA C 13 54.930 0.3 . 1 . . . . . 187 ALA CA . 50355 1 1609 . 1 . 1 185 185 ALA CB C 13 19.777 0.3 . 1 . . . . . 187 ALA CB . 50355 1 1610 . 1 . 1 186 186 THR H H 1 7.651 0.020 . 1 . . . . . 188 THR H . 50355 1 1611 . 1 . 1 186 186 THR HA H 1 4.564 0.020 . 1 . . . . . 188 THR HA . 50355 1 1612 . 1 . 1 186 186 THR HB H 1 4.048 0.020 . 1 . . . . . 188 THR HB . 50355 1 1613 . 1 . 1 186 186 THR C C 13 173.160 0.3 . 1 . . . . . 188 THR C . 50355 1 1614 . 1 . 1 186 186 THR CA C 13 59.920 0.3 . 1 . . . . . 188 THR CA . 50355 1 1615 . 1 . 1 186 186 THR CB C 13 72.190 0.3 . 1 . . . . . 188 THR CB . 50355 1 1616 . 1 . 1 186 186 THR N N 15 107.569 0.3 . 1 . . . . . 188 THR N . 50355 1 1617 . 1 . 1 187 187 TRP H H 1 8.970 0.020 . 1 . . . . . 189 TRP H . 50355 1 1618 . 1 . 1 187 187 TRP CA C 13 54.559 0.3 . 1 . . . . . 189 TRP CA . 50355 1 1619 . 1 . 1 187 187 TRP N N 15 122.813 0.3 . 1 . . . . . 189 TRP N . 50355 1 1620 . 1 . 1 189 189 GLU H H 1 8.871 0.020 . 1 . . . . . 191 GLU H . 50355 1 1621 . 1 . 1 189 189 GLU HA H 1 3.861 0.020 . 1 . . . . . 191 GLU HA . 50355 1 1622 . 1 . 1 189 189 GLU HB3 H 1 1.913 0.020 . 1 . . . . . 191 GLU HB3 . 50355 1 1623 . 1 . 1 189 189 GLU C C 13 178.672 0.3 . 1 . . . . . 191 GLU C . 50355 1 1624 . 1 . 1 189 189 GLU CA C 13 60.019 0.3 . 1 . . . . . 191 GLU CA . 50355 1 1625 . 1 . 1 189 189 GLU N N 15 122.805 0.3 . 1 . . . . . 191 GLU N . 50355 1 1626 . 1 . 1 190 190 ALA H H 1 8.558 0.020 . 1 . . . . . 192 ALA H . 50355 1 1627 . 1 . 1 190 190 ALA HA H 1 4.003 0.020 . 1 . . . . . 192 ALA HA . 50355 1 1628 . 1 . 1 190 190 ALA HB1 H 1 1.229 0.020 . 1 . . . . . 192 ALA HB . 50355 1 1629 . 1 . 1 190 190 ALA HB2 H 1 1.229 0.020 . 1 . . . . . 192 ALA HB . 50355 1 1630 . 1 . 1 190 190 ALA HB3 H 1 1.229 0.020 . 1 . . . . . 192 ALA HB . 50355 1 1631 . 1 . 1 190 190 ALA C C 13 180.772 0.3 . 1 . . . . . 192 ALA C . 50355 1 1632 . 1 . 1 190 190 ALA CA C 13 55.012 0.3 . 1 . . . . . 192 ALA CA . 50355 1 1633 . 1 . 1 190 190 ALA CB C 13 19.050 0.3 . 1 . . . . . 192 ALA CB . 50355 1 1634 . 1 . 1 190 190 ALA N N 15 118.742 0.3 . 1 . . . . . 192 ALA N . 50355 1 1635 . 1 . 1 191 191 ILE H H 1 7.054 0.020 . 1 . . . . . 193 ILE H . 50355 1 1636 . 1 . 1 191 191 ILE HA H 1 3.770 0.020 . 1 . . . . . 193 ILE HA . 50355 1 1637 . 1 . 1 191 191 ILE HB H 1 1.494 0.020 . 1 . . . . . 193 ILE HB . 50355 1 1638 . 1 . 1 191 191 ILE HG12 H 1 1.031 0.020 . 2 . . . . . 193 ILE HG12 . 50355 1 1639 . 1 . 1 191 191 ILE HG13 H 1 1.141 0.020 . 2 . . . . . 193 ILE HG13 . 50355 1 1640 . 1 . 1 191 191 ILE HG21 H 1 -0.031 0.020 . 1 . . . . . 193 ILE HG2 . 50355 1 1641 . 1 . 1 191 191 ILE HG22 H 1 -0.031 0.020 . 1 . . . . . 193 ILE HG2 . 50355 1 1642 . 1 . 1 191 191 ILE HG23 H 1 -0.031 0.020 . 1 . . . . . 193 ILE HG2 . 50355 1 1643 . 1 . 1 191 191 ILE HD11 H 1 0.403 0.020 . 1 . . . . . 193 ILE HD1 . 50355 1 1644 . 1 . 1 191 191 ILE HD12 H 1 0.403 0.020 . 1 . . . . . 193 ILE HD1 . 50355 1 1645 . 1 . 1 191 191 ILE HD13 H 1 0.403 0.020 . 1 . . . . . 193 ILE HD1 . 50355 1 1646 . 1 . 1 191 191 ILE C C 13 176.645 0.3 . 1 . . . . . 193 ILE C . 50355 1 1647 . 1 . 1 191 191 ILE CA C 13 59.731 0.3 . 1 . . . . . 193 ILE CA . 50355 1 1648 . 1 . 1 191 191 ILE CB C 13 35.360 0.3 . 1 . . . . . 193 ILE CB . 50355 1 1649 . 1 . 1 191 191 ILE CG1 C 13 27.023 0.3 . 1 . . . . . 193 ILE CG1 . 50355 1 1650 . 1 . 1 191 191 ILE CG2 C 13 16.370 0.3 . 1 . . . . . 193 ILE CG2 . 50355 1 1651 . 1 . 1 191 191 ILE CD1 C 13 10.101 0.3 . 1 . . . . . 193 ILE CD1 . 50355 1 1652 . 1 . 1 191 191 ILE N N 15 117.463 0.3 . 1 . . . . . 193 ILE N . 50355 1 1653 . 1 . 1 192 192 ALA H H 1 7.283 0.020 . 1 . . . . . 194 ALA H . 50355 1 1654 . 1 . 1 192 192 ALA HA H 1 3.797 0.020 . 1 . . . . . 194 ALA HA . 50355 1 1655 . 1 . 1 192 192 ALA HB1 H 1 1.320 0.020 . 1 . . . . . 194 ALA HB . 50355 1 1656 . 1 . 1 192 192 ALA HB2 H 1 1.320 0.020 . 1 . . . . . 194 ALA HB . 50355 1 1657 . 1 . 1 192 192 ALA HB3 H 1 1.320 0.020 . 1 . . . . . 194 ALA HB . 50355 1 1658 . 1 . 1 192 192 ALA C C 13 180.833 0.3 . 1 . . . . . 194 ALA C . 50355 1 1659 . 1 . 1 192 192 ALA CA C 13 55.568 0.3 . 1 . . . . . 194 ALA CA . 50355 1 1660 . 1 . 1 192 192 ALA CB C 13 17.601 0.3 . 1 . . . . . 194 ALA CB . 50355 1 1661 . 1 . 1 192 192 ALA N N 15 125.227 0.3 . 1 . . . . . 194 ALA N . 50355 1 1662 . 1 . 1 193 193 ALA H H 1 8.105 0.020 . 1 . . . . . 195 ALA H . 50355 1 1663 . 1 . 1 193 193 ALA HA H 1 4.003 0.020 . 1 . . . . . 195 ALA HA . 50355 1 1664 . 1 . 1 193 193 ALA HB1 H 1 1.302 0.020 . 1 . . . . . 195 ALA HB . 50355 1 1665 . 1 . 1 193 193 ALA HB2 H 1 1.302 0.020 . 1 . . . . . 195 ALA HB . 50355 1 1666 . 1 . 1 193 193 ALA HB3 H 1 1.302 0.020 . 1 . . . . . 195 ALA HB . 50355 1 1667 . 1 . 1 193 193 ALA C C 13 180.729 0.3 . 1 . . . . . 195 ALA C . 50355 1 1668 . 1 . 1 193 193 ALA CA C 13 54.972 0.3 . 1 . . . . . 195 ALA CA . 50355 1 1669 . 1 . 1 193 193 ALA CB C 13 17.853 0.3 . 1 . . . . . 195 ALA CB . 50355 1 1670 . 1 . 1 193 193 ALA N N 15 120.305 0.3 . 1 . . . . . 195 ALA N . 50355 1 1671 . 1 . 1 194 194 ILE H H 1 7.283 0.020 . 1 . . . . . 196 ILE H . 50355 1 1672 . 1 . 1 194 194 ILE HA H 1 3.702 0.020 . 1 . . . . . 196 ILE HA . 50355 1 1673 . 1 . 1 194 194 ILE HB H 1 1.745 0.020 . 1 . . . . . 196 ILE HB . 50355 1 1674 . 1 . 1 194 194 ILE HG12 H 1 0.972 0.020 . 2 . . . . . 196 ILE HG12 . 50355 1 1675 . 1 . 1 194 194 ILE HG13 H 1 1.611 0.020 . 2 . . . . . 196 ILE HG13 . 50355 1 1676 . 1 . 1 194 194 ILE HG21 H 1 0.753 0.020 . 1 . . . . . 196 ILE HG2 . 50355 1 1677 . 1 . 1 194 194 ILE HG22 H 1 0.753 0.020 . 1 . . . . . 196 ILE HG2 . 50355 1 1678 . 1 . 1 194 194 ILE HG23 H 1 0.753 0.020 . 1 . . . . . 196 ILE HG2 . 50355 1 1679 . 1 . 1 194 194 ILE HD11 H 1 0.712 0.020 . 1 . . . . . 196 ILE HD1 . 50355 1 1680 . 1 . 1 194 194 ILE HD12 H 1 0.712 0.020 . 1 . . . . . 196 ILE HD1 . 50355 1 1681 . 1 . 1 194 194 ILE HD13 H 1 0.712 0.020 . 1 . . . . . 196 ILE HD1 . 50355 1 1682 . 1 . 1 194 194 ILE C C 13 177.508 0.3 . 1 . . . . . 196 ILE C . 50355 1 1683 . 1 . 1 194 194 ILE CA C 13 65.336 0.3 . 1 . . . . . 196 ILE CA . 50355 1 1684 . 1 . 1 194 194 ILE CB C 13 37.816 0.3 . 1 . . . . . 196 ILE CB . 50355 1 1685 . 1 . 1 194 194 ILE CG1 C 13 30.171 0.3 . 1 . . . . . 196 ILE CG1 . 50355 1 1686 . 1 . 1 194 194 ILE CG2 C 13 17.004 0.3 . 1 . . . . . 196 ILE CG2 . 50355 1 1687 . 1 . 1 194 194 ILE CD1 C 13 13.970 0.3 . 1 . . . . . 196 ILE CD1 . 50355 1 1688 . 1 . 1 194 194 ILE N N 15 119.289 0.3 . 1 . . . . . 196 ILE N . 50355 1 1689 . 1 . 1 195 195 SER H H 1 8.026 0.020 . 1 . . . . . 197 SER H . 50355 1 1690 . 1 . 1 195 195 SER HA H 1 3.852 0.020 . 1 . . . . . 197 SER HA . 50355 1 1691 . 1 . 1 195 195 SER CA C 13 61.683 0.3 . 1 . . . . . 197 SER CA . 50355 1 1692 . 1 . 1 195 195 SER CB C 13 63.069 0.3 . 1 . . . . . 197 SER CB . 50355 1 1693 . 1 . 1 195 195 SER N N 15 114.992 0.3 . 1 . . . . . 197 SER N . 50355 1 1694 . 1 . 1 196 196 GLY H H 1 7.698 0.020 . 1 . . . . . 198 GLY H . 50355 1 1695 . 1 . 1 196 196 GLY HA2 H 1 3.756 0.020 . 2 . . . . . 198 GLY HA2 . 50355 1 1696 . 1 . 1 196 196 GLY HA3 H 1 3.939 0.020 . 2 . . . . . 198 GLY HA3 . 50355 1 1697 . 1 . 1 196 196 GLY C C 13 174.507 0.3 . 1 . . . . . 198 GLY C . 50355 1 1698 . 1 . 1 196 196 GLY CA C 13 46.380 0.3 . 1 . . . . . 198 GLY CA . 50355 1 1699 . 1 . 1 196 196 GLY N N 15 102.569 0.3 . 1 . . . . . 198 GLY N . 50355 1 1700 . 1 . 1 197 197 ARG H H 1 7.335 0.020 . 1 . . . . . 199 ARG H . 50355 1 1701 . 1 . 1 197 197 ARG HA H 1 4.454 0.020 . 1 . . . . . 199 ARG HA . 50355 1 1702 . 1 . 1 197 197 ARG HB2 H 1 1.735 0.020 . 2 . . . . . 199 ARG HB2 . 50355 1 1703 . 1 . 1 197 197 ARG HB3 H 1 1.900 0.020 . 2 . . . . . 199 ARG HB3 . 50355 1 1704 . 1 . 1 197 197 ARG C C 13 178.548 0.3 . 1 . . . . . 199 ARG C . 50355 1 1705 . 1 . 1 197 197 ARG CA C 13 57.968 0.3 . 1 . . . . . 199 ARG CA . 50355 1 1706 . 1 . 1 197 197 ARG CB C 13 31.959 0.3 . 1 . . . . . 199 ARG CB . 50355 1 1707 . 1 . 1 197 197 ARG N N 15 117.107 0.3 . 1 . . . . . 199 ARG N . 50355 1 1708 . 1 . 1 198 198 VAL H H 1 7.909 0.020 . 1 . . . . . 200 VAL H . 50355 1 1709 . 1 . 1 198 198 VAL HA H 1 4.532 0.020 . 1 . . . . . 200 VAL HA . 50355 1 1710 . 1 . 1 198 198 VAL HB H 1 2.160 0.020 . 1 . . . . . 200 VAL HB . 50355 1 1711 . 1 . 1 198 198 VAL HG11 H 1 0.705 0.020 . 2 . . . . . 200 VAL HG1 . 50355 1 1712 . 1 . 1 198 198 VAL HG12 H 1 0.705 0.020 . 2 . . . . . 200 VAL HG1 . 50355 1 1713 . 1 . 1 198 198 VAL HG13 H 1 0.705 0.020 . 2 . . . . . 200 VAL HG1 . 50355 1 1714 . 1 . 1 198 198 VAL HG21 H 1 0.808 0.020 . 2 . . . . . 200 VAL HG2 . 50355 1 1715 . 1 . 1 198 198 VAL HG22 H 1 0.808 0.020 . 2 . . . . . 200 VAL HG2 . 50355 1 1716 . 1 . 1 198 198 VAL HG23 H 1 0.808 0.020 . 2 . . . . . 200 VAL HG2 . 50355 1 1717 . 1 . 1 198 198 VAL C C 13 174.408 0.3 . 1 . . . . . 200 VAL C . 50355 1 1718 . 1 . 1 198 198 VAL CA C 13 60.779 0.3 . 1 . . . . . 200 VAL CA . 50355 1 1719 . 1 . 1 198 198 VAL CB C 13 32.526 0.3 . 1 . . . . . 200 VAL CB . 50355 1 1720 . 1 . 1 198 198 VAL CG1 C 13 19.065 0.3 . 1 . . . . . 200 VAL CG1 . 50355 1 1721 . 1 . 1 198 198 VAL CG2 C 13 21.183 0.3 . 1 . . . . . 200 VAL CG2 . 50355 1 1722 . 1 . 1 198 198 VAL N N 15 110.148 0.3 . 1 . . . . . 200 VAL N . 50355 1 1723 . 1 . 1 199 199 GLN H H 1 7.541 0.020 . 1 . . . . . 201 GLN H . 50355 1 1724 . 1 . 1 199 199 GLN HA H 1 4.824 0.020 . 1 . . . . . 201 GLN HA . 50355 1 1725 . 1 . 1 199 199 GLN C C 13 174.223 0.3 . 1 . . . . . 201 GLN C . 50355 1 1726 . 1 . 1 199 199 GLN CA C 13 54.504 0.3 . 1 . . . . . 201 GLN CA . 50355 1 1727 . 1 . 1 199 199 GLN CB C 13 32.967 0.3 . 1 . . . . . 201 GLN CB . 50355 1 1728 . 1 . 1 199 199 GLN N N 15 116.242 0.3 . 1 . . . . . 201 GLN N . 50355 1 1729 . 1 . 1 200 200 ARG H H 1 9.747 0.020 . 1 . . . . . 202 ARG H . 50355 1 1730 . 1 . 1 200 200 ARG HA H 1 4.409 0.020 . 1 . . . . . 202 ARG HA . 50355 1 1731 . 1 . 1 200 200 ARG HB2 H 1 1.594 0.020 . 1 . . . . . 202 ARG HB2 . 50355 1 1732 . 1 . 1 200 200 ARG HB3 H 1 1.594 0.020 . 1 . . . . . 202 ARG HB3 . 50355 1 1733 . 1 . 1 200 200 ARG C C 13 173.598 0.3 . 1 . . . . . 202 ARG C . 50355 1 1734 . 1 . 1 200 200 ARG CA C 13 54.504 0.3 . 1 . . . . . 202 ARG CA . 50355 1 1735 . 1 . 1 200 200 ARG CB C 13 31.141 0.3 . 1 . . . . . 202 ARG CB . 50355 1 1736 . 1 . 1 200 200 ARG N N 15 124.993 0.3 . 1 . . . . . 202 ARG N . 50355 1 1737 . 1 . 1 201 201 ASP H H 1 8.754 0.020 . 1 . . . . . 203 ASP H . 50355 1 1738 . 1 . 1 201 201 ASP C C 13 172.406 0.3 . 1 . . . . . 203 ASP C . 50355 1 1739 . 1 . 1 201 201 ASP CA C 13 54.567 0.3 . 1 . . . . . 203 ASP CA . 50355 1 1740 . 1 . 1 201 201 ASP CB C 13 41.091 0.3 . 1 . . . . . 203 ASP CB . 50355 1 1741 . 1 . 1 201 201 ASP N N 15 122.805 0.3 . 1 . . . . . 203 ASP N . 50355 1 1742 . 1 . 1 203 203 LEU H H 1 8.068 0.020 . 1 . . . . . 205 LEU H . 50355 1 1743 . 1 . 1 203 203 LEU HA H 1 4.267 0.020 . 1 . . . . . 205 LEU HA . 50355 1 1744 . 1 . 1 203 203 LEU HB2 H 1 1.421 0.020 . 2 . . . . . 205 LEU HB2 . 50355 1 1745 . 1 . 1 203 203 LEU HB3 H 1 1.530 0.020 . 2 . . . . . 205 LEU HB3 . 50355 1 1746 . 1 . 1 203 203 LEU HD11 H 1 0.744 0.020 . 2 . . . . . 205 LEU HD1 . 50355 1 1747 . 1 . 1 203 203 LEU HD12 H 1 0.744 0.020 . 2 . . . . . 205 LEU HD1 . 50355 1 1748 . 1 . 1 203 203 LEU HD13 H 1 0.744 0.020 . 2 . . . . . 205 LEU HD1 . 50355 1 1749 . 1 . 1 203 203 LEU HD21 H 1 0.826 0.020 . 2 . . . . . 205 LEU HD2 . 50355 1 1750 . 1 . 1 203 203 LEU HD22 H 1 0.826 0.020 . 2 . . . . . 205 LEU HD2 . 50355 1 1751 . 1 . 1 203 203 LEU HD23 H 1 0.826 0.020 . 2 . . . . . 205 LEU HD2 . 50355 1 1752 . 1 . 1 203 203 LEU C C 13 175.199 0.3 . 1 . . . . . 205 LEU C . 50355 1 1753 . 1 . 1 203 203 LEU CA C 13 54.378 0.3 . 1 . . . . . 205 LEU CA . 50355 1 1754 . 1 . 1 203 203 LEU CB C 13 43.232 0.3 . 1 . . . . . 205 LEU CB . 50355 1 1755 . 1 . 1 203 203 LEU CG C 13 27.080 0.3 . 1 . . . . . 205 LEU CG . 50355 1 1756 . 1 . 1 203 203 LEU CD1 C 13 25.483 0.3 . 1 . . . . . 205 LEU CD1 . 50355 1 1757 . 1 . 1 203 203 LEU CD2 C 13 24.215 0.3 . 1 . . . . . 205 LEU CD2 . 50355 1 1758 . 1 . 1 203 203 LEU N N 15 124.115 0.3 . 1 . . . . . 205 LEU N . 50355 1 1759 . 1 . 1 204 204 ALA H H 1 8.480 0.020 . 1 . . . . . 206 ALA H . 50355 1 1760 . 1 . 1 204 204 ALA HA H 1 4.737 0.020 . 1 . . . . . 206 ALA HA . 50355 1 1761 . 1 . 1 204 204 ALA HB1 H 1 1.015 0.020 . 1 . . . . . 206 ALA HB . 50355 1 1762 . 1 . 1 204 204 ALA HB2 H 1 1.015 0.020 . 1 . . . . . 206 ALA HB . 50355 1 1763 . 1 . 1 204 204 ALA HB3 H 1 1.015 0.020 . 1 . . . . . 206 ALA HB . 50355 1 1764 . 1 . 1 204 204 ALA C C 13 176.504 0.3 . 1 . . . . . 206 ALA C . 50355 1 1765 . 1 . 1 204 204 ALA CA C 13 51.292 0.3 . 1 . . . . . 206 ALA CA . 50355 1 1766 . 1 . 1 204 204 ALA CB C 13 18.861 0.3 . 1 . . . . . 206 ALA CB . 50355 1 1767 . 1 . 1 204 204 ALA N N 15 129.681 0.3 . 1 . . . . . 206 ALA N . 50355 1 1768 . 1 . 1 205 205 ILE H H 1 8.347 0.020 . 1 . . . . . 207 ILE H . 50355 1 1769 . 1 . 1 205 205 ILE HA H 1 4.149 0.020 . 1 . . . . . 207 ILE HA . 50355 1 1770 . 1 . 1 205 205 ILE HB H 1 1.608 0.020 . 1 . . . . . 207 ILE HB . 50355 1 1771 . 1 . 1 205 205 ILE HG21 H 1 0.658 0.020 . 1 . . . . . 207 ILE HG2 . 50355 1 1772 . 1 . 1 205 205 ILE HG22 H 1 0.658 0.020 . 1 . . . . . 207 ILE HG2 . 50355 1 1773 . 1 . 1 205 205 ILE HG23 H 1 0.658 0.020 . 1 . . . . . 207 ILE HG2 . 50355 1 1774 . 1 . 1 205 205 ILE HD11 H 1 0.616 0.020 . 1 . . . . . 207 ILE HD1 . 50355 1 1775 . 1 . 1 205 205 ILE HD12 H 1 0.616 0.020 . 1 . . . . . 207 ILE HD1 . 50355 1 1776 . 1 . 1 205 205 ILE HD13 H 1 0.616 0.020 . 1 . . . . . 207 ILE HD1 . 50355 1 1777 . 1 . 1 205 205 ILE C C 13 174.120 0.3 . 1 . . . . . 207 ILE C . 50355 1 1778 . 1 . 1 205 205 ILE CA C 13 59.786 0.3 . 1 . . . . . 207 ILE CA . 50355 1 1779 . 1 . 1 205 205 ILE CB C 13 40.090 0.3 . 1 . . . . . 207 ILE CB . 50355 1 1780 . 1 . 1 205 205 ILE CG1 C 13 26.908 0.3 . 1 . . . . . 207 ILE CG1 . 50355 1 1781 . 1 . 1 205 205 ILE CG2 C 13 17.462 0.3 . 1 . . . . . 207 ILE CG2 . 50355 1 1782 . 1 . 1 205 205 ILE CD1 C 13 12.539 0.3 . 1 . . . . . 207 ILE CD1 . 50355 1 1783 . 1 . 1 205 205 ILE N N 15 125.149 0.3 . 1 . . . . . 207 ILE N . 50355 1 1784 . 1 . 1 206 206 GLU H H 1 8.621 0.020 . 1 . . . . . 208 GLU H . 50355 1 1785 . 1 . 1 206 206 GLU HA H 1 4.532 0.020 . 1 . . . . . 208 GLU HA . 50355 1 1786 . 1 . 1 206 206 GLU HB2 H 1 1.786 0.020 . 1 . . . . . 208 GLU HB2 . 50355 1 1787 . 1 . 1 206 206 GLU HB3 H 1 1.786 0.020 . 1 . . . . . 208 GLU HB3 . 50355 1 1788 . 1 . 1 206 206 GLU C C 13 174.622 0.3 . 1 . . . . . 208 GLU C . 50355 1 1789 . 1 . 1 206 206 GLU CA C 13 55.323 0.3 . 1 . . . . . 208 GLU CA . 50355 1 1790 . 1 . 1 206 206 GLU CB C 13 31.267 0.3 . 1 . . . . . 208 GLU CB . 50355 1 1791 . 1 . 1 206 206 GLU N N 15 128.822 0.3 . 1 . . . . . 208 GLU N . 50355 1 1792 . 1 . 1 207 207 ILE H H 1 8.215 0.020 . 1 . . . . . 209 ILE H . 50355 1 1793 . 1 . 1 207 207 ILE HA H 1 4.203 0.020 . 1 . . . . . 209 ILE HA . 50355 1 1794 . 1 . 1 207 207 ILE HB H 1 1.938 0.020 . 1 . . . . . 209 ILE HB . 50355 1 1795 . 1 . 1 207 207 ILE HG12 H 1 1.170 0.020 . 2 . . . . . 209 ILE HG12 . 50355 1 1796 . 1 . 1 207 207 ILE HG13 H 1 1.221 0.020 . 2 . . . . . 209 ILE HG13 . 50355 1 1797 . 1 . 1 207 207 ILE HG21 H 1 0.781 0.020 . 1 . . . . . 209 ILE HG2 . 50355 1 1798 . 1 . 1 207 207 ILE HG22 H 1 0.781 0.020 . 1 . . . . . 209 ILE HG2 . 50355 1 1799 . 1 . 1 207 207 ILE HG23 H 1 0.781 0.020 . 1 . . . . . 209 ILE HG2 . 50355 1 1800 . 1 . 1 207 207 ILE HD11 H 1 0.577 0.020 . 1 . . . . . 209 ILE HD1 . 50355 1 1801 . 1 . 1 207 207 ILE HD12 H 1 0.577 0.020 . 1 . . . . . 209 ILE HD1 . 50355 1 1802 . 1 . 1 207 207 ILE HD13 H 1 0.577 0.020 . 1 . . . . . 209 ILE HD1 . 50355 1 1803 . 1 . 1 207 207 ILE C C 13 175.558 0.3 . 1 . . . . . 209 ILE C . 50355 1 1804 . 1 . 1 207 207 ILE CA C 13 59.479 0.3 . 1 . . . . . 209 ILE CA . 50355 1 1805 . 1 . 1 207 207 ILE CB C 13 38.127 0.3 . 1 . . . . . 209 ILE CB . 50355 1 1806 . 1 . 1 207 207 ILE CG1 C 13 27.195 0.3 . 1 . . . . . 209 ILE CG1 . 50355 1 1807 . 1 . 1 207 207 ILE CG2 C 13 17.748 0.3 . 1 . . . . . 209 ILE CG2 . 50355 1 1808 . 1 . 1 207 207 ILE CD1 C 13 11.737 0.3 . 1 . . . . . 209 ILE CD1 . 50355 1 1809 . 1 . 1 207 207 ILE N N 15 123.844 0.3 . 1 . . . . . 209 ILE N . 50355 1 1810 . 1 . 1 208 208 ASP H H 1 8.371 0.020 . 1 . . . . . 210 ASP H . 50355 1 1811 . 1 . 1 208 208 ASP HA H 1 4.623 0.020 . 1 . . . . . 210 ASP HA . 50355 1 1812 . 1 . 1 208 208 ASP HB2 H 1 2.506 0.020 . 2 . . . . . 210 ASP HB2 . 50355 1 1813 . 1 . 1 208 208 ASP HB3 H 1 2.620 0.020 . 2 . . . . . 210 ASP HB3 . 50355 1 1814 . 1 . 1 208 208 ASP C C 13 175.856 0.3 . 1 . . . . . 210 ASP C . 50355 1 1815 . 1 . 1 208 208 ASP CA C 13 54.378 0.3 . 1 . . . . . 210 ASP CA . 50355 1 1816 . 1 . 1 208 208 ASP CB C 13 41.657 0.3 . 1 . . . . . 210 ASP CB . 50355 1 1817 . 1 . 1 208 208 ASP N N 15 125.696 0.3 . 1 . . . . . 210 ASP N . 50355 1 1818 . 1 . 1 209 209 SER H H 1 8.252 0.020 . 1 . . . . . 211 SER H . 50355 1 1819 . 1 . 1 209 209 SER HA H 1 4.413 0.020 . 1 . . . . . 211 SER HA . 50355 1 1820 . 1 . 1 209 209 SER HB2 H 1 3.779 0.020 . 1 . . . . . 211 SER HB2 . 50355 1 1821 . 1 . 1 209 209 SER HB3 H 1 3.779 0.020 . 1 . . . . . 211 SER HB3 . 50355 1 1822 . 1 . 1 209 209 SER C C 13 174.903 0.3 . 1 . . . . . 211 SER C . 50355 1 1823 . 1 . 1 209 209 SER CA C 13 58.471 0.3 . 1 . . . . . 211 SER CA . 50355 1 1824 . 1 . 1 209 209 SER CB C 13 63.824 0.3 . 1 . . . . . 211 SER CB . 50355 1 1825 . 1 . 1 209 209 SER N N 15 117.428 0.3 . 1 . . . . . 211 SER N . 50355 1 1826 . 1 . 1 210 210 THR H H 1 8.214 0.020 . 1 . . . . . 212 THR H . 50355 1 1827 . 1 . 1 210 210 THR HA H 1 4.227 0.020 . 1 . . . . . 212 THR HA . 50355 1 1828 . 1 . 1 210 210 THR HB H 1 4.185 0.020 . 1 . . . . . 212 THR HB . 50355 1 1829 . 1 . 1 210 210 THR C C 13 174.322 0.3 . 1 . . . . . 212 THR C . 50355 1 1830 . 1 . 1 210 210 THR CA C 13 62.246 0.3 . 1 . . . . . 212 THR CA . 50355 1 1831 . 1 . 1 210 210 THR CB C 13 69.466 0.3 . 1 . . . . . 212 THR CB . 50355 1 1832 . 1 . 1 210 210 THR N N 15 116.476 0.3 . 1 . . . . . 212 THR N . 50355 1 1833 . 1 . 1 211 211 ASP H H 1 8.144 0.020 . 1 . . . . . 213 ASP H . 50355 1 1834 . 1 . 1 211 211 ASP HA H 1 4.473 0.020 . 1 . . . . . 213 ASP HA . 50355 1 1835 . 1 . 1 211 211 ASP HB2 H 1 2.479 0.020 . 2 . . . . . 213 ASP HB2 . 50355 1 1836 . 1 . 1 211 211 ASP HB3 H 1 2.579 0.020 . 2 . . . . . 213 ASP HB3 . 50355 1 1837 . 1 . 1 211 211 ASP C C 13 175.522 0.3 . 1 . . . . . 213 ASP C . 50355 1 1838 . 1 . 1 211 211 ASP CA C 13 54.504 0.3 . 1 . . . . . 213 ASP CA . 50355 1 1839 . 1 . 1 211 211 ASP CB C 13 41.217 0.3 . 1 . . . . . 213 ASP CB . 50355 1 1840 . 1 . 1 211 211 ASP N N 15 123.040 0.3 . 1 . . . . . 213 ASP N . 50355 1 1841 . 1 . 1 212 212 ALA H H 1 7.956 0.020 . 1 . . . . . 214 ALA H . 50355 1 1842 . 1 . 1 212 212 ALA HA H 1 4.203 0.020 . 1 . . . . . 214 ALA HA . 50355 1 1843 . 1 . 1 212 212 ALA HB1 H 1 1.234 0.020 . 1 . . . . . 214 ALA HB . 50355 1 1844 . 1 . 1 212 212 ALA HB2 H 1 1.234 0.020 . 1 . . . . . 214 ALA HB . 50355 1 1845 . 1 . 1 212 212 ALA HB3 H 1 1.234 0.020 . 1 . . . . . 214 ALA HB . 50355 1 1846 . 1 . 1 212 212 ALA C C 13 177.069 0.3 . 1 . . . . . 214 ALA C . 50355 1 1847 . 1 . 1 212 212 ALA CA C 13 52.111 0.3 . 1 . . . . . 214 ALA CA . 50355 1 1848 . 1 . 1 212 212 ALA CB C 13 19.427 0.3 . 1 . . . . . 214 ALA CB . 50355 1 1849 . 1 . 1 212 212 ALA N N 15 124.290 0.3 . 1 . . . . . 214 ALA N . 50355 1 1850 . 1 . 1 213 213 LEU H H 1 8.025 0.020 . 1 . . . . . 215 LEU H . 50355 1 1851 . 1 . 1 213 213 LEU C C 13 174.539 0.3 . 1 . . . . . 215 LEU C . 50355 1 1852 . 1 . 1 213 213 LEU CA C 13 52.804 0.3 . 1 . . . . . 215 LEU CA . 50355 1 1853 . 1 . 1 213 213 LEU CB C 13 41.342 0.3 . 1 . . . . . 215 LEU CB . 50355 1 1854 . 1 . 1 213 213 LEU N N 15 124.115 0.3 . 1 . . . . . 215 LEU N . 50355 1 stop_ save_