data_50445 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50445 _Entry.Title ; Backbone resonance assignment of dopamine N-acetyltransferase (Dat) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-26 _Entry.Accession_date 2020-08-26 _Entry.Last_release_date 2020-08-26 _Entry.Original_release_date 2020-08-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Chu-Ya Wu . . . 0000-0002-3182-5246 50445 2 Yi-Zong Lee . . . . 50445 3 I-Chen Hu . . . 0000-0001-9968-5609 50445 4 Liang-Yuan Chiu . . . . 50445 5 Wei-Cheng Ding . . . 0000-0001-6091-3950 50445 6 Jing Wang . . . . 50445 7 Shih-Che Sue . . . 0000-0002-2169-0157 50445 8 Shin-ichi Tate . . . 0000-0002-5556-7712 50445 9 Ping-Chiang Lyu . . . 0000-0002-6824-543X 50445 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50445 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 50445 '15N chemical shifts' 184 50445 '1H chemical shifts' 184 50445 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 . . 2020-11-02 . original BMRB . 50445 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28139 'Backbone resonance assignment of dopamine N-acetyltransferase (Dat) in complex with Ac-CoA' 50445 PDB 3V8I 'Crystal Structure of a Drosophila melanogaster Dopamine N-Acetyltransferase' 50445 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50445 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32796911 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 441 _Citation.Page_last 441 _Citation.Year 2020 _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 Chu-Ya Wu C. Y. . . 50445 1 2 I-Chen Hu I. C. . . 50445 1 3 Yi-Chen Yang Y. C. . . 50445 1 4 Wei-Cheng Ding W. C. . . 50445 1 5 Chih-Hsuan Lai C. H. . . 50445 1 6 Yi-Zong Lee Y. Z. . . 50445 1 7 Yi-Chung Liu Y. C. . . 50445 1 8 Hui-Chun Cheng H. C. . . 50445 1 9 Ping-Chiang Lyu P. C. . . 50445 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50445 _Assembly.ID 1 _Assembly.Name Dat _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 Dat 1 $entity_1 . . yes native no no . . . 50445 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3V8I . . X-ray 1.8 . 'Crystal Structure of a Drosophila melanogaster Dopamine N-Acetyltransferase' 50445 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50445 _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 ; GSHMPYTIELIQPEDGEAVI AMLKTFFFKDEPLNTFLDLG ECKELEKYSLKPLPDNCSYK AVNKKGEIIGVFLNGLMRRP SPDDVPEKAADSCEHPKFKK ILSLMDHVEEQFNIFDVYPD EELILDGKILSVDTNYRGLG IAGRLTERAYEYMRENGINV YHVLCSSHYSARVMEKLGFH EVFRMQFADYKPQGEVVFKP AAPHVGIQVMAKEV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; A truncated Dat (residues 21-230) was used. The three amino acids GSH remain after protease cleavage. ; _Entity.Ambiguous_conformational_states yes _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 2.3.1.87 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24412.06 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 3V8I . 'Dopamine N-acetyltransferase' . . . . . . . . . . . . . . 50445 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 17 GLY . 50445 1 2 18 SER . 50445 1 3 19 HIS . 50445 1 4 20 MET . 50445 1 5 21 PRO . 50445 1 6 22 TYR . 50445 1 7 23 THR . 50445 1 8 24 ILE . 50445 1 9 25 GLU . 50445 1 10 26 LEU . 50445 1 11 27 ILE . 50445 1 12 28 GLN . 50445 1 13 29 PRO . 50445 1 14 30 GLU . 50445 1 15 31 ASP . 50445 1 16 32 GLY . 50445 1 17 33 GLU . 50445 1 18 34 ALA . 50445 1 19 35 VAL . 50445 1 20 36 ILE . 50445 1 21 37 ALA . 50445 1 22 38 MET . 50445 1 23 39 LEU . 50445 1 24 40 LYS . 50445 1 25 41 THR . 50445 1 26 42 PHE . 50445 1 27 43 PHE . 50445 1 28 44 PHE . 50445 1 29 45 LYS . 50445 1 30 46 ASP . 50445 1 31 47 GLU . 50445 1 32 48 PRO . 50445 1 33 49 LEU . 50445 1 34 50 ASN . 50445 1 35 51 THR . 50445 1 36 52 PHE . 50445 1 37 53 LEU . 50445 1 38 54 ASP . 50445 1 39 55 LEU . 50445 1 40 56 GLY . 50445 1 41 57 GLU . 50445 1 42 58 CYS . 50445 1 43 59 LYS . 50445 1 44 60 GLU . 50445 1 45 61 LEU . 50445 1 46 62 GLU . 50445 1 47 63 LYS . 50445 1 48 64 TYR . 50445 1 49 65 SER . 50445 1 50 66 LEU . 50445 1 51 67 LYS . 50445 1 52 68 PRO . 50445 1 53 69 LEU . 50445 1 54 70 PRO . 50445 1 55 71 ASP . 50445 1 56 72 ASN . 50445 1 57 73 CYS . 50445 1 58 74 SER . 50445 1 59 75 TYR . 50445 1 60 76 LYS . 50445 1 61 77 ALA . 50445 1 62 78 VAL . 50445 1 63 79 ASN . 50445 1 64 80 LYS . 50445 1 65 81 LYS . 50445 1 66 82 GLY . 50445 1 67 83 GLU . 50445 1 68 84 ILE . 50445 1 69 85 ILE . 50445 1 70 86 GLY . 50445 1 71 87 VAL . 50445 1 72 88 PHE . 50445 1 73 89 LEU . 50445 1 74 90 ASN . 50445 1 75 91 GLY . 50445 1 76 92 LEU . 50445 1 77 93 MET . 50445 1 78 94 ARG . 50445 1 79 95 ARG . 50445 1 80 96 PRO . 50445 1 81 97 SER . 50445 1 82 98 PRO . 50445 1 83 99 ASP . 50445 1 84 100 ASP . 50445 1 85 101 VAL . 50445 1 86 102 PRO . 50445 1 87 103 GLU . 50445 1 88 104 LYS . 50445 1 89 105 ALA . 50445 1 90 106 ALA . 50445 1 91 107 ASP . 50445 1 92 108 SER . 50445 1 93 109 CYS . 50445 1 94 110 GLU . 50445 1 95 111 HIS . 50445 1 96 112 PRO . 50445 1 97 113 LYS . 50445 1 98 114 PHE . 50445 1 99 115 LYS . 50445 1 100 116 LYS . 50445 1 101 117 ILE . 50445 1 102 118 LEU . 50445 1 103 119 SER . 50445 1 104 120 LEU . 50445 1 105 121 MET . 50445 1 106 122 ASP . 50445 1 107 123 HIS . 50445 1 108 124 VAL . 50445 1 109 125 GLU . 50445 1 110 126 GLU . 50445 1 111 127 GLN . 50445 1 112 128 PHE . 50445 1 113 129 ASN . 50445 1 114 130 ILE . 50445 1 115 131 PHE . 50445 1 116 132 ASP . 50445 1 117 133 VAL . 50445 1 118 134 TYR . 50445 1 119 135 PRO . 50445 1 120 136 ASP . 50445 1 121 137 GLU . 50445 1 122 138 GLU . 50445 1 123 139 LEU . 50445 1 124 140 ILE . 50445 1 125 141 LEU . 50445 1 126 142 ASP . 50445 1 127 143 GLY . 50445 1 128 144 LYS . 50445 1 129 145 ILE . 50445 1 130 146 LEU . 50445 1 131 147 SER . 50445 1 132 148 VAL . 50445 1 133 149 ASP . 50445 1 134 150 THR . 50445 1 135 151 ASN . 50445 1 136 152 TYR . 50445 1 137 153 ARG . 50445 1 138 154 GLY . 50445 1 139 155 LEU . 50445 1 140 156 GLY . 50445 1 141 157 ILE . 50445 1 142 158 ALA . 50445 1 143 159 GLY . 50445 1 144 160 ARG . 50445 1 145 161 LEU . 50445 1 146 162 THR . 50445 1 147 163 GLU . 50445 1 148 164 ARG . 50445 1 149 165 ALA . 50445 1 150 166 TYR . 50445 1 151 167 GLU . 50445 1 152 168 TYR . 50445 1 153 169 MET . 50445 1 154 170 ARG . 50445 1 155 171 GLU . 50445 1 156 172 ASN . 50445 1 157 173 GLY . 50445 1 158 174 ILE . 50445 1 159 175 ASN . 50445 1 160 176 VAL . 50445 1 161 177 TYR . 50445 1 162 178 HIS . 50445 1 163 179 VAL . 50445 1 164 180 LEU . 50445 1 165 181 CYS . 50445 1 166 182 SER . 50445 1 167 183 SER . 50445 1 168 184 HIS . 50445 1 169 185 TYR . 50445 1 170 186 SER . 50445 1 171 187 ALA . 50445 1 172 188 ARG . 50445 1 173 189 VAL . 50445 1 174 190 MET . 50445 1 175 191 GLU . 50445 1 176 192 LYS . 50445 1 177 193 LEU . 50445 1 178 194 GLY . 50445 1 179 195 PHE . 50445 1 180 196 HIS . 50445 1 181 197 GLU . 50445 1 182 198 VAL . 50445 1 183 199 PHE . 50445 1 184 200 ARG . 50445 1 185 201 MET . 50445 1 186 202 GLN . 50445 1 187 203 PHE . 50445 1 188 204 ALA . 50445 1 189 205 ASP . 50445 1 190 206 TYR . 50445 1 191 207 LYS . 50445 1 192 208 PRO . 50445 1 193 209 GLN . 50445 1 194 210 GLY . 50445 1 195 211 GLU . 50445 1 196 212 VAL . 50445 1 197 213 VAL . 50445 1 198 214 PHE . 50445 1 199 215 LYS . 50445 1 200 216 PRO . 50445 1 201 217 ALA . 50445 1 202 218 ALA . 50445 1 203 219 PRO . 50445 1 204 220 HIS . 50445 1 205 221 VAL . 50445 1 206 222 GLY . 50445 1 207 223 ILE . 50445 1 208 224 GLN . 50445 1 209 225 VAL . 50445 1 210 226 MET . 50445 1 211 227 ALA . 50445 1 212 228 LYS . 50445 1 213 229 GLU . 50445 1 214 230 VAL . 50445 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 . GLY 1 1 50445 1 . SER 2 2 50445 1 . HIS 3 3 50445 1 . MET 4 4 50445 1 . PRO 5 5 50445 1 . TYR 6 6 50445 1 . THR 7 7 50445 1 . ILE 8 8 50445 1 . GLU 9 9 50445 1 . LEU 10 10 50445 1 . ILE 11 11 50445 1 . GLN 12 12 50445 1 . PRO 13 13 50445 1 . GLU 14 14 50445 1 . ASP 15 15 50445 1 . GLY 16 16 50445 1 . GLU 17 17 50445 1 . ALA 18 18 50445 1 . VAL 19 19 50445 1 . ILE 20 20 50445 1 . ALA 21 21 50445 1 . MET 22 22 50445 1 . LEU 23 23 50445 1 . LYS 24 24 50445 1 . THR 25 25 50445 1 . PHE 26 26 50445 1 . PHE 27 27 50445 1 . PHE 28 28 50445 1 . LYS 29 29 50445 1 . ASP 30 30 50445 1 . GLU 31 31 50445 1 . PRO 32 32 50445 1 . LEU 33 33 50445 1 . ASN 34 34 50445 1 . THR 35 35 50445 1 . PHE 36 36 50445 1 . LEU 37 37 50445 1 . ASP 38 38 50445 1 . LEU 39 39 50445 1 . GLY 40 40 50445 1 . GLU 41 41 50445 1 . CYS 42 42 50445 1 . LYS 43 43 50445 1 . GLU 44 44 50445 1 . LEU 45 45 50445 1 . GLU 46 46 50445 1 . LYS 47 47 50445 1 . TYR 48 48 50445 1 . SER 49 49 50445 1 . LEU 50 50 50445 1 . LYS 51 51 50445 1 . PRO 52 52 50445 1 . LEU 53 53 50445 1 . PRO 54 54 50445 1 . ASP 55 55 50445 1 . ASN 56 56 50445 1 . CYS 57 57 50445 1 . SER 58 58 50445 1 . TYR 59 59 50445 1 . LYS 60 60 50445 1 . ALA 61 61 50445 1 . VAL 62 62 50445 1 . ASN 63 63 50445 1 . LYS 64 64 50445 1 . LYS 65 65 50445 1 . GLY 66 66 50445 1 . GLU 67 67 50445 1 . ILE 68 68 50445 1 . ILE 69 69 50445 1 . GLY 70 70 50445 1 . VAL 71 71 50445 1 . PHE 72 72 50445 1 . LEU 73 73 50445 1 . ASN 74 74 50445 1 . GLY 75 75 50445 1 . LEU 76 76 50445 1 . MET 77 77 50445 1 . ARG 78 78 50445 1 . ARG 79 79 50445 1 . PRO 80 80 50445 1 . SER 81 81 50445 1 . PRO 82 82 50445 1 . ASP 83 83 50445 1 . ASP 84 84 50445 1 . VAL 85 85 50445 1 . PRO 86 86 50445 1 . GLU 87 87 50445 1 . LYS 88 88 50445 1 . ALA 89 89 50445 1 . ALA 90 90 50445 1 . ASP 91 91 50445 1 . SER 92 92 50445 1 . CYS 93 93 50445 1 . GLU 94 94 50445 1 . HIS 95 95 50445 1 . PRO 96 96 50445 1 . LYS 97 97 50445 1 . PHE 98 98 50445 1 . LYS 99 99 50445 1 . LYS 100 100 50445 1 . ILE 101 101 50445 1 . LEU 102 102 50445 1 . SER 103 103 50445 1 . LEU 104 104 50445 1 . MET 105 105 50445 1 . ASP 106 106 50445 1 . HIS 107 107 50445 1 . VAL 108 108 50445 1 . GLU 109 109 50445 1 . GLU 110 110 50445 1 . GLN 111 111 50445 1 . PHE 112 112 50445 1 . ASN 113 113 50445 1 . ILE 114 114 50445 1 . PHE 115 115 50445 1 . ASP 116 116 50445 1 . VAL 117 117 50445 1 . TYR 118 118 50445 1 . PRO 119 119 50445 1 . ASP 120 120 50445 1 . GLU 121 121 50445 1 . GLU 122 122 50445 1 . LEU 123 123 50445 1 . ILE 124 124 50445 1 . LEU 125 125 50445 1 . ASP 126 126 50445 1 . GLY 127 127 50445 1 . LYS 128 128 50445 1 . ILE 129 129 50445 1 . LEU 130 130 50445 1 . SER 131 131 50445 1 . VAL 132 132 50445 1 . ASP 133 133 50445 1 . THR 134 134 50445 1 . ASN 135 135 50445 1 . TYR 136 136 50445 1 . ARG 137 137 50445 1 . GLY 138 138 50445 1 . LEU 139 139 50445 1 . GLY 140 140 50445 1 . ILE 141 141 50445 1 . ALA 142 142 50445 1 . GLY 143 143 50445 1 . ARG 144 144 50445 1 . LEU 145 145 50445 1 . THR 146 146 50445 1 . GLU 147 147 50445 1 . ARG 148 148 50445 1 . ALA 149 149 50445 1 . TYR 150 150 50445 1 . GLU 151 151 50445 1 . TYR 152 152 50445 1 . MET 153 153 50445 1 . ARG 154 154 50445 1 . GLU 155 155 50445 1 . ASN 156 156 50445 1 . GLY 157 157 50445 1 . ILE 158 158 50445 1 . ASN 159 159 50445 1 . VAL 160 160 50445 1 . TYR 161 161 50445 1 . HIS 162 162 50445 1 . VAL 163 163 50445 1 . LEU 164 164 50445 1 . CYS 165 165 50445 1 . SER 166 166 50445 1 . SER 167 167 50445 1 . HIS 168 168 50445 1 . TYR 169 169 50445 1 . SER 170 170 50445 1 . ALA 171 171 50445 1 . ARG 172 172 50445 1 . VAL 173 173 50445 1 . MET 174 174 50445 1 . GLU 175 175 50445 1 . LYS 176 176 50445 1 . LEU 177 177 50445 1 . GLY 178 178 50445 1 . PHE 179 179 50445 1 . HIS 180 180 50445 1 . GLU 181 181 50445 1 . VAL 182 182 50445 1 . PHE 183 183 50445 1 . ARG 184 184 50445 1 . MET 185 185 50445 1 . GLN 186 186 50445 1 . PHE 187 187 50445 1 . ALA 188 188 50445 1 . ASP 189 189 50445 1 . TYR 190 190 50445 1 . LYS 191 191 50445 1 . PRO 192 192 50445 1 . GLN 193 193 50445 1 . GLY 194 194 50445 1 . GLU 195 195 50445 1 . VAL 196 196 50445 1 . VAL 197 197 50445 1 . PHE 198 198 50445 1 . LYS 199 199 50445 1 . PRO 200 200 50445 1 . ALA 201 201 50445 1 . ALA 202 202 50445 1 . PRO 203 203 50445 1 . HIS 204 204 50445 1 . VAL 205 205 50445 1 . GLY 206 206 50445 1 . ILE 207 207 50445 1 . GLN 208 208 50445 1 . VAL 209 209 50445 1 . MET 210 210 50445 1 . ALA 211 211 50445 1 . LYS 212 212 50445 1 . GLU 213 213 50445 1 . VAL 214 214 50445 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 50445 _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 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 50445 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 50445 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 50445 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50445 _Sample.ID 1 _Sample.Name 'Dat (dopamine N-acetyltransferase)' _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 'Dat (dopamine N-acetyltransferase)' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 50445 1 2 Tris-HCl 'natural abundance' . . . . . . 50 . . mM . . . . 50445 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50445 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 50445 1 5 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 50445 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50445 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample condition' _Sample_condition_list.Details '50 mM Tris-HCl (pH 7.0)/1 mM DTT/100 mM NaCl/10% D2O/0.2 mM DSS' 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' 100 . mM 50445 1 pH 7.0 . pH 50445 1 pressure 1 . atm 50445 1 temperature 293 . K 50445 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50445 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50445 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50445 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50445 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50445 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50445 3 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 50445 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer_1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50445 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50445 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50445 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50445 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50445 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50445 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50445 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 50445 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50445 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50445 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50445 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 50445 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 3 '3D HN(CO)CA' . . . 50445 1 4 '3D HNCACB' . . . 50445 1 5 '3D HNCO' . . . 50445 1 6 '3D HN(CA)CO' . . . 50445 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50445 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 5 5 PRO C C 13 175.274 0.00 . 1 . . . . . 21 PRO C . 50445 1 2 . 1 . 1 5 5 PRO CA C 13 63.032 0.01 . 1 . . . . . 21 PRO CA . 50445 1 3 . 1 . 1 5 5 PRO CB C 13 30.574 0.00 . 1 . . . . . 21 PRO CB . 50445 1 4 . 1 . 1 6 6 TYR H H 1 7.301 0.00 . 1 . . . . . 22 TYR HN . 50445 1 5 . 1 . 1 6 6 TYR C C 13 173.755 0.01 . 1 . . . . . 22 TYR C . 50445 1 6 . 1 . 1 6 6 TYR CA C 13 55.539 0.02 . 1 . . . . . 22 TYR CA . 50445 1 7 . 1 . 1 6 6 TYR CB C 13 39.514 0.00 . 1 . . . . . 22 TYR CB . 50445 1 8 . 1 . 1 6 6 TYR N N 15 113.987 0.03 . 1 . . . . . 22 TYR N . 50445 1 9 . 1 . 1 7 7 THR H H 1 8.781 0.00 . 1 . . . . . 23 THR HN . 50445 1 10 . 1 . 1 7 7 THR C C 13 173.163 0.01 . 1 . . . . . 23 THR C . 50445 1 11 . 1 . 1 7 7 THR CA C 13 59.523 0.01 . 1 . . . . . 23 THR CA . 50445 1 12 . 1 . 1 7 7 THR CB C 13 70.665 0.03 . 1 . . . . . 23 THR CB . 50445 1 13 . 1 . 1 7 7 THR N N 15 111.308 0.02 . 1 . . . . . 23 THR N . 50445 1 14 . 1 . 1 8 8 ILE H H 1 8.556 0.00 . 1 . . . . . 24 ILE HN . 50445 1 15 . 1 . 1 8 8 ILE C C 13 175.993 0.03 . 1 . . . . . 24 ILE C . 50445 1 16 . 1 . 1 8 8 ILE CA C 13 58.039 0.02 . 1 . . . . . 24 ILE CA . 50445 1 17 . 1 . 1 8 8 ILE CB C 13 35.944 0.02 . 1 . . . . . 24 ILE CB . 50445 1 18 . 1 . 1 8 8 ILE N N 15 121.154 0.06 . 1 . . . . . 24 ILE N . 50445 1 19 . 1 . 1 9 9 GLU H H 1 9.361 0.00 . 1 . . . . . 25 GLU HN . 50445 1 20 . 1 . 1 9 9 GLU C C 13 174.969 0.02 . 1 . . . . . 25 GLU C . 50445 1 21 . 1 . 1 9 9 GLU CA C 13 53.343 0.02 . 1 . . . . . 25 GLU CA . 50445 1 22 . 1 . 1 9 9 GLU CB C 13 34.209 0.05 . 1 . . . . . 25 GLU CB . 50445 1 23 . 1 . 1 9 9 GLU N N 15 125.762 0.07 . 1 . . . . . 25 GLU N . 50445 1 24 . 1 . 1 10 10 LEU H H 1 8.751 0.00 . 1 . . . . . 26 LEU HN . 50445 1 25 . 1 . 1 10 10 LEU C C 13 177.809 0.00 . 1 . . . . . 26 LEU C . 50445 1 26 . 1 . 1 10 10 LEU CA C 13 55.222 0.06 . 1 . . . . . 26 LEU CA . 50445 1 27 . 1 . 1 10 10 LEU CB C 13 42.620 0.01 . 1 . . . . . 26 LEU CB . 50445 1 28 . 1 . 1 10 10 LEU N N 15 123.681 0.08 . 1 . . . . . 26 LEU N . 50445 1 29 . 1 . 1 11 11 ILE H H 1 8.517 0.00 . 1 . . . . . 27 ILE HN . 50445 1 30 . 1 . 1 11 11 ILE C C 13 175.429 0.03 . 1 . . . . . 27 ILE C . 50445 1 31 . 1 . 1 11 11 ILE CA C 13 62.979 0.04 . 1 . . . . . 27 ILE CA . 50445 1 32 . 1 . 1 11 11 ILE CB C 13 36.242 0.04 . 1 . . . . . 27 ILE CB . 50445 1 33 . 1 . 1 11 11 ILE N N 15 125.364 0.07 . 1 . . . . . 27 ILE N . 50445 1 34 . 1 . 1 12 12 GLN H H 1 8.951 0.00 . 1 . . . . . 28 GLN HN . 50445 1 35 . 1 . 1 12 12 GLN CA C 13 52.880 0.00 . 1 . . . . . 28 GLN CA . 50445 1 36 . 1 . 1 12 12 GLN CB C 13 27.913 0.00 . 1 . . . . . 28 GLN CB . 50445 1 37 . 1 . 1 12 12 GLN N N 15 129.401 0.02 . 1 . . . . . 28 GLN N . 50445 1 38 . 1 . 1 13 13 PRO C C 13 179.529 0.01 . 1 . . . . . 29 PRO C . 50445 1 39 . 1 . 1 13 13 PRO CA C 13 65.863 0.00 . 1 . . . . . 29 PRO CA . 50445 1 40 . 1 . 1 14 14 GLU H H 1 9.338 0.00 . 1 . . . . . 30 GLU HN . 50445 1 41 . 1 . 1 14 14 GLU C C 13 177.260 0.03 . 1 . . . . . 30 GLU C . 50445 1 42 . 1 . 1 14 14 GLU CA C 13 58.230 0.03 . 1 . . . . . 30 GLU CA . 50445 1 43 . 1 . 1 14 14 GLU N N 15 115.236 0.05 . 1 . . . . . 30 GLU N . 50445 1 44 . 1 . 1 15 15 ASP H H 1 8.252 0.00 . 1 . . . . . 31 ASP HN . 50445 1 45 . 1 . 1 15 15 ASP C C 13 176.535 0.00 . 1 . . . . . 31 ASP C . 50445 1 46 . 1 . 1 15 15 ASP CA C 13 54.970 0.02 . 1 . . . . . 31 ASP CA . 50445 1 47 . 1 . 1 15 15 ASP N N 15 119.606 0.02 . 1 . . . . . 31 ASP N . 50445 1 48 . 1 . 1 16 16 GLY H H 1 7.830 0.00 . 1 . . . . . 32 GLY HN . 50445 1 49 . 1 . 1 16 16 GLY C C 13 174.597 0.02 . 1 . . . . . 32 GLY C . 50445 1 50 . 1 . 1 16 16 GLY CA C 13 48.702 0.02 . 1 . . . . . 32 GLY CA . 50445 1 51 . 1 . 1 16 16 GLY N N 15 106.637 0.03 . 1 . . . . . 32 GLY N . 50445 1 52 . 1 . 1 17 17 GLU H H 1 8.466 0.00 . 1 . . . . . 33 GLU HN . 50445 1 53 . 1 . 1 17 17 GLU C C 13 179.264 0.01 . 1 . . . . . 33 GLU C . 50445 1 54 . 1 . 1 17 17 GLU CA C 13 59.753 0.01 . 1 . . . . . 33 GLU CA . 50445 1 55 . 1 . 1 17 17 GLU CB C 13 27.997 0.02 . 1 . . . . . 33 GLU CB . 50445 1 56 . 1 . 1 17 17 GLU N N 15 119.481 0.06 . 1 . . . . . 33 GLU N . 50445 1 57 . 1 . 1 18 18 ALA H H 1 8.296 0.00 . 1 . . . . . 34 ALA NH . 50445 1 58 . 1 . 1 18 18 ALA C C 13 181.584 0.00 . 1 . . . . . 34 ALA C . 50445 1 59 . 1 . 1 18 18 ALA CA C 13 54.404 0.02 . 1 . . . . . 34 ALA CA . 50445 1 60 . 1 . 1 18 18 ALA CB C 13 17.610 0.07 . 1 . . . . . 34 ALA CB . 50445 1 61 . 1 . 1 18 18 ALA N N 15 124.102 0.08 . 1 . . . . . 34 ALA N . 50445 1 62 . 1 . 1 19 19 VAL H H 1 8.706 0.00 . 1 . . . . . 35 VAL HN . 50445 1 63 . 1 . 1 19 19 VAL C C 13 177.499 0.02 . 1 . . . . . 35 VAL C . 50445 1 64 . 1 . 1 19 19 VAL CA C 13 66.739 0.04 . 1 . . . . . 35 VAL CA . 50445 1 65 . 1 . 1 19 19 VAL CB C 13 30.314 0.09 . 1 . . . . . 35 VAL CB . 50445 1 66 . 1 . 1 19 19 VAL N N 15 120.573 0.04 . 1 . . . . . 35 VAL N . 50445 1 67 . 1 . 1 20 20 ILE H H 1 8.512 0.14 . 1 . . . . . 36 ILE HN . 50445 1 68 . 1 . 1 20 20 ILE C C 13 177.503 0.00 . 1 . . . . . 36 ILE C . 50445 1 69 . 1 . 1 20 20 ILE CA C 13 62.073 0.00 . 1 . . . . . 36 ILE CA . 50445 1 70 . 1 . 1 20 20 ILE CB C 13 34.794 0.01 . 1 . . . . . 36 ILE CB . 50445 1 71 . 1 . 1 20 20 ILE N N 15 119.454 0.79 . 1 . . . . . 36 ILE N . 50445 1 72 . 1 . 1 21 21 ALA H H 1 8.123 0.00 . 1 . . . . . 37 ALA HN . 50445 1 73 . 1 . 1 21 21 ALA C C 13 180.291 0.01 . 1 . . . . . 37 ALA C . 50445 1 74 . 1 . 1 21 21 ALA CA C 13 55.173 0.01 . 1 . . . . . 37 ALA CA . 50445 1 75 . 1 . 1 21 21 ALA CB C 13 17.075 0.07 . 1 . . . . . 37 ALA CB . 50445 1 76 . 1 . 1 21 21 ALA N N 15 121.731 0.06 . 1 . . . . . 37 ALA N . 50445 1 77 . 1 . 1 22 22 MET H H 1 7.562 0.00 . 1 . . . . . 38 MET HN . 50445 1 78 . 1 . 1 22 22 MET C C 13 179.208 0.01 . 1 . . . . . 38 MET C . 50445 1 79 . 1 . 1 22 22 MET CA C 13 59.624 0.01 . 1 . . . . . 38 MET CA . 50445 1 80 . 1 . 1 22 22 MET CB C 13 31.200 0.00 . 1 . . . . . 38 MET CB . 50445 1 81 . 1 . 1 22 22 MET N N 15 119.593 0.04 . 1 . . . . . 38 MET N . 50445 1 82 . 1 . 1 23 23 LEU H H 1 8.699 0.00 . 1 . . . . . 39 LEU HN . 50445 1 83 . 1 . 1 23 23 LEU C C 13 180.896 0.00 . 1 . . . . . 39 LEU C . 50445 1 84 . 1 . 1 23 23 LEU CA C 13 56.996 0.01 . 1 . . . . . 39 LEU CA . 50445 1 85 . 1 . 1 23 23 LEU N N 15 119.788 0.02 . 1 . . . . . 39 LEU N . 50445 1 86 . 1 . 1 24 24 LYS H H 1 9.049 0.01 . 1 . . . . . 40 LYS HN . 50445 1 87 . 1 . 1 24 24 LYS C C 13 178.217 0.03 . 1 . . . . . 40 LYS C . 50445 1 88 . 1 . 1 24 24 LYS CA C 13 60.060 0.02 . 1 . . . . . 40 LYS CA . 50445 1 89 . 1 . 1 24 24 LYS N N 15 120.004 0.07 . 1 . . . . . 40 LYS N . 50445 1 90 . 1 . 1 25 25 THR H H 1 7.457 0.00 . 1 . . . . . 41 THR HN . 50445 1 91 . 1 . 1 25 25 THR C C 13 175.283 0.00 . 1 . . . . . 41 THR C . 50445 1 92 . 1 . 1 25 25 THR CA C 13 65.410 0.04 . 1 . . . . . 41 THR CA . 50445 1 93 . 1 . 1 25 25 THR CB C 13 68.684 0.00 . 1 . . . . . 41 THR CB . 50445 1 94 . 1 . 1 25 25 THR N N 15 114.960 0.04 . 1 . . . . . 41 THR N . 50445 1 95 . 1 . 1 26 26 PHE H H 1 8.020 0.00 . 1 . . . . . 42 PHE HN . 50445 1 96 . 1 . 1 26 26 PHE CA C 13 59.275 0.04 . 1 . . . . . 42 PHE CA . 50445 1 97 . 1 . 1 26 26 PHE N N 15 115.071 0.03 . 1 . . . . . 42 PHE N . 50445 1 98 . 1 . 1 27 27 PHE H H 1 8.441 0.00 . 1 . . . . . 43 PHE HN . 50445 1 99 . 1 . 1 27 27 PHE CA C 13 60.766 0.02 . 1 . . . . . 43 PHE CA . 50445 1 100 . 1 . 1 27 27 PHE N N 15 121.168 0.11 . 1 . . . . . 43 PHE N . 50445 1 101 . 1 . 1 28 28 PHE H H 1 8.528 0.00 . 1 . . . . . 44 PHE HN . 50445 1 102 . 1 . 1 28 28 PHE C C 13 178.207 0.00 . 1 . . . . . 44 PHE C . 50445 1 103 . 1 . 1 28 28 PHE CA C 13 59.751 0.06 . 1 . . . . . 44 PHE CA . 50445 1 104 . 1 . 1 28 28 PHE N N 15 117.011 0.01 . 1 . . . . . 44 PHE N . 50445 1 105 . 1 . 1 29 29 LYS H H 1 7.895 0.00 . 1 . . . . . 45 LYS HN . 50445 1 106 . 1 . 1 29 29 LYS C C 13 176.173 0.00 . 1 . . . . . 45 LYS C . 50445 1 107 . 1 . 1 29 29 LYS CA C 13 57.630 0.03 . 1 . . . . . 45 LYS CA . 50445 1 108 . 1 . 1 29 29 LYS N N 15 114.507 0.06 . 1 . . . . . 45 LYS N . 50445 1 109 . 1 . 1 30 30 ASP H H 1 7.154 0.00 . 1 . . . . . 46 ASP HN . 50445 1 110 . 1 . 1 30 30 ASP C C 13 176.210 0.00 . 1 . . . . . 46 ASP C . 50445 1 111 . 1 . 1 30 30 ASP CA C 13 53.400 0.01 . 1 . . . . . 46 ASP CA . 50445 1 112 . 1 . 1 30 30 ASP N N 15 115.471 0.04 . 1 . . . . . 46 ASP N . 50445 1 113 . 1 . 1 31 31 GLU H H 1 7.185 0.00 . 1 . . . . . 47 GLU HN . 50445 1 114 . 1 . 1 31 31 GLU CA C 13 54.188 0.00 . 1 . . . . . 47 GLU CA . 50445 1 115 . 1 . 1 31 31 GLU CB C 13 28.907 0.00 . 1 . . . . . 47 GLU CB . 50445 1 116 . 1 . 1 31 31 GLU N N 15 125.911 0.07 . 1 . . . . . 47 GLU N . 50445 1 117 . 1 . 1 32 32 PRO C C 13 179.376 0.00 . 1 . . . . . 48 PRO C . 50445 1 118 . 1 . 1 32 32 PRO CA C 13 64.685 0.06 . 1 . . . . . 48 PRO CA . 50445 1 119 . 1 . 1 33 33 LEU H H 1 9.131 0.00 . 1 . . . . . 49 LEU HN . 50445 1 120 . 1 . 1 33 33 LEU CA C 13 57.801 0.00 . 1 . . . . . 49 LEU CA . 50445 1 121 . 1 . 1 33 33 LEU N N 15 119.232 0.04 . 1 . . . . . 49 LEU N . 50445 1 122 . 1 . 1 34 34 ASN C C 13 178.199 0.00 . 1 . . . . . 50 ASN C . 50445 1 123 . 1 . 1 35 35 THR H H 1 8.036 0.00 . 1 . . . . . 51 THR HN . 50445 1 124 . 1 . 1 35 35 THR C C 13 177.677 0.00 . 1 . . . . . 51 THR C . 50445 1 125 . 1 . 1 35 35 THR CA C 13 65.310 0.00 . 1 . . . . . 51 THR CA . 50445 1 126 . 1 . 1 35 35 THR N N 15 113.446 0.09 . 1 . . . . . 51 THR N . 50445 1 127 . 1 . 1 36 36 PHE H H 1 8.253 0.00 . 1 . . . . . 52 PHE HN . 50445 1 128 . 1 . 1 36 36 PHE C C 13 176.805 0.02 . 1 . . . . . 52 PHE C . 50445 1 129 . 1 . 1 36 36 PHE CA C 13 61.132 0.01 . 1 . . . . . 52 PHE CA . 50445 1 130 . 1 . 1 36 36 PHE N N 15 123.058 0.02 . 1 . . . . . 52 PHE N . 50445 1 131 . 1 . 1 37 37 LEU H H 1 7.588 0.00 . 1 . . . . . 53 LEU HN . 50445 1 132 . 1 . 1 37 37 LEU C C 13 176.330 0.00 . 1 . . . . . 53 LEU C . 50445 1 133 . 1 . 1 37 37 LEU CA C 13 54.470 0.01 . 1 . . . . . 53 LEU CA . 50445 1 134 . 1 . 1 37 37 LEU CB C 13 38.097 0.00 . 1 . . . . . 53 LEU CB . 50445 1 135 . 1 . 1 37 37 LEU N N 15 114.630 0.04 . 1 . . . . . 53 LEU N . 50445 1 136 . 1 . 1 38 38 ASP H H 1 8.011 0.00 . 1 . . . . . 54 ASP HN . 50445 1 137 . 1 . 1 38 38 ASP C C 13 175.798 0.03 . 1 . . . . . 54 ASP C . 50445 1 138 . 1 . 1 38 38 ASP CA C 13 54.377 0.03 . 1 . . . . . 54 ASP CA . 50445 1 139 . 1 . 1 38 38 ASP CB C 13 42.035 0.01 . 1 . . . . . 54 ASP CB . 50445 1 140 . 1 . 1 38 38 ASP N N 15 119.818 0.06 . 1 . . . . . 54 ASP N . 50445 1 141 . 1 . 1 39 39 LEU H H 1 7.949 0.00 . 1 . . . . . 55 LEU HN . 50445 1 142 . 1 . 1 39 39 LEU C C 13 177.497 0.00 . 1 . . . . . 55 LEU C . 50445 1 143 . 1 . 1 39 39 LEU CA C 13 57.187 0.06 . 1 . . . . . 55 LEU CA . 50445 1 144 . 1 . 1 39 39 LEU N N 15 119.685 0.03 . 1 . . . . . 55 LEU N . 50445 1 145 . 1 . 1 40 40 GLY H H 1 8.430 0.00 . 1 . . . . . 56 GLY HN . 50445 1 146 . 1 . 1 40 40 GLY C C 13 173.836 0.01 . 1 . . . . . 56 GLY C . 50445 1 147 . 1 . 1 40 40 GLY CA C 13 44.618 0.03 . 1 . . . . . 56 GLY CA . 50445 1 148 . 1 . 1 40 40 GLY N N 15 107.440 0.02 . 1 . . . . . 56 GLY N . 50445 1 149 . 1 . 1 41 41 GLU H H 1 8.316 0.00 . 1 . . . . . 57 GLU HN . 50445 1 150 . 1 . 1 41 41 GLU C C 13 176.753 0.00 . 1 . . . . . 57 GLU C . 50445 1 151 . 1 . 1 41 41 GLU CA C 13 56.176 0.06 . 1 . . . . . 57 GLU CA . 50445 1 152 . 1 . 1 41 41 GLU CB C 13 28.324 0.00 . 1 . . . . . 57 GLU CB . 50445 1 153 . 1 . 1 41 41 GLU N N 15 122.558 0.04 . 1 . . . . . 57 GLU N . 50445 1 154 . 1 . 1 42 42 CYS H H 1 8.900 0.00 . 1 . . . . . 58 CYS HN . 50445 1 155 . 1 . 1 42 42 CYS CA C 13 57.374 0.00 . 1 . . . . . 58 CYS CA . 50445 1 156 . 1 . 1 42 42 CYS N N 15 126.400 0.05 . 1 . . . . . 58 CYS N . 50445 1 157 . 1 . 1 43 43 LYS C C 13 179.142 0.00 . 1 . . . . . 59 LYS C . 50445 1 158 . 1 . 1 43 43 LYS CA C 13 58.608 0.01 . 1 . . . . . 59 LYS CA . 50445 1 159 . 1 . 1 44 44 GLU H H 1 9.733 0.01 . 1 . . . . . 60 GLU HN . 50445 1 160 . 1 . 1 44 44 GLU C C 13 178.825 0.00 . 1 . . . . . 60 GLU C . 50445 1 161 . 1 . 1 44 44 GLU CA C 13 60.616 0.04 . 1 . . . . . 60 GLU CA . 50445 1 162 . 1 . 1 44 44 GLU CB C 13 28.323 0.06 . 1 . . . . . 60 GLU CB . 50445 1 163 . 1 . 1 44 44 GLU N N 15 120.401 0.07 . 1 . . . . . 60 GLU N . 50445 1 164 . 1 . 1 45 45 LEU H H 1 6.891 0.00 . 1 . . . . . 61 LEU HN . 50445 1 165 . 1 . 1 45 45 LEU C C 13 179.263 0.00 . 1 . . . . . 61 LEU C . 50445 1 166 . 1 . 1 45 45 LEU CA C 13 57.065 0.05 . 1 . . . . . 61 LEU CA . 50445 1 167 . 1 . 1 45 45 LEU CB C 13 39.856 0.00 . 1 . . . . . 61 LEU CB . 50445 1 168 . 1 . 1 45 45 LEU N N 15 122.151 0.07 . 1 . . . . . 61 LEU N . 50445 1 169 . 1 . 1 46 46 GLU H H 1 7.357 0.01 . 1 . . . . . 62 GLU HN . 50445 1 170 . 1 . 1 46 46 GLU C C 13 177.739 0.00 . 1 . . . . . 62 GLU C . 50445 1 171 . 1 . 1 46 46 GLU CA C 13 59.903 0.02 . 1 . . . . . 62 GLU CA . 50445 1 172 . 1 . 1 46 46 GLU CB C 13 27.783 0.00 . 1 . . . . . 62 GLU CB . 50445 1 173 . 1 . 1 46 46 GLU N N 15 122.354 0.02 . 1 . . . . . 62 GLU N . 50445 1 174 . 1 . 1 47 47 LYS H H 1 8.046 0.00 . 1 . . . . . 63 LYS HN . 50445 1 175 . 1 . 1 47 47 LYS C C 13 179.975 0.00 . 1 . . . . . 63 LYS C . 50445 1 176 . 1 . 1 47 47 LYS CA C 13 58.929 0.06 . 1 . . . . . 63 LYS CA . 50445 1 177 . 1 . 1 47 47 LYS CB C 13 31.462 0.10 . 1 . . . . . 63 LYS CB . 50445 1 178 . 1 . 1 47 47 LYS N N 15 117.143 0.04 . 1 . . . . . 63 LYS N . 50445 1 179 . 1 . 1 48 48 TYR H H 1 8.285 0.01 . 1 . . . . . 64 TYR HN . 50445 1 180 . 1 . 1 48 48 TYR C C 13 178.720 0.00 . 1 . . . . . 64 TYR C . 50445 1 181 . 1 . 1 48 48 TYR CA C 13 61.299 0.04 . 1 . . . . . 64 TYR CA . 50445 1 182 . 1 . 1 48 48 TYR CB C 13 38.757 0.00 . 1 . . . . . 64 TYR CB . 50445 1 183 . 1 . 1 48 48 TYR N N 15 120.047 0.07 . 1 . . . . . 64 TYR N . 50445 1 184 . 1 . 1 49 49 SER H H 1 8.212 0.00 . 1 . . . . . 65 SER HN . 50445 1 185 . 1 . 1 49 49 SER C C 13 173.346 0.00 . 1 . . . . . 65 SER C . 50445 1 186 . 1 . 1 49 49 SER CA C 13 62.131 0.03 . 1 . . . . . 65 SER CA . 50445 1 187 . 1 . 1 49 49 SER N N 15 114.163 0.03 . 1 . . . . . 65 SER N . 50445 1 188 . 1 . 1 50 50 LEU H H 1 7.105 0.00 . 1 . . . . . 66 LEU HN . 50445 1 189 . 1 . 1 50 50 LEU C C 13 178.439 0.00 . 1 . . . . . 66 LEU C . 50445 1 190 . 1 . 1 50 50 LEU CA C 13 53.665 0.04 . 1 . . . . . 66 LEU CA . 50445 1 191 . 1 . 1 50 50 LEU CB C 13 40.697 0.06 . 1 . . . . . 66 LEU CB . 50445 1 192 . 1 . 1 50 50 LEU N N 15 113.175 0.05 . 1 . . . . . 66 LEU N . 50445 1 193 . 1 . 1 51 51 LYS H H 1 7.429 0.01 . 1 . . . . . 67 LYS HN . 50445 1 194 . 1 . 1 51 51 LYS C C 13 174.777 0.00 . 1 . . . . . 67 LYS C . 50445 1 195 . 1 . 1 51 51 LYS CA C 13 60.499 0.00 . 1 . . . . . 67 LYS CA . 50445 1 196 . 1 . 1 51 51 LYS CB C 13 29.698 0.00 . 1 . . . . . 67 LYS CB . 50445 1 197 . 1 . 1 51 51 LYS N N 15 124.743 0.03 . 1 . . . . . 67 LYS N . 50445 1 198 . 1 . 1 52 52 PRO C C 13 178.752 0.01 . 1 . . . . . 68 PRO C . 50445 1 199 . 1 . 1 52 52 PRO CA C 13 64.595 0.00 . 1 . . . . . 68 PRO CA . 50445 1 200 . 1 . 1 52 52 PRO CB C 13 30.560 0.00 . 1 . . . . . 68 PRO CB . 50445 1 201 . 1 . 1 53 53 LEU H H 1 7.671 0.00 . 1 . . . . . 69 LEU HN . 50445 1 202 . 1 . 1 53 53 LEU C C 13 176.343 0.00 . 1 . . . . . 69 LEU C . 50445 1 203 . 1 . 1 53 53 LEU CA C 13 61.010 0.00 . 1 . . . . . 69 LEU CA . 50445 1 204 . 1 . 1 53 53 LEU CB C 13 37.891 0.00 . 1 . . . . . 69 LEU CB . 50445 1 205 . 1 . 1 53 53 LEU N N 15 120.592 0.04 . 1 . . . . . 69 LEU N . 50445 1 206 . 1 . 1 54 54 PRO C C 13 176.158 0.00 . 1 . . . . . 70 PRO C . 50445 1 207 . 1 . 1 54 54 PRO CA C 13 64.767 0.00 . 1 . . . . . 70 PRO CA . 50445 1 208 . 1 . 1 55 55 ASP H H 1 7.856 0.00 . 1 . . . . . 71 ASP HN . 50445 1 209 . 1 . 1 55 55 ASP C C 13 176.124 0.03 . 1 . . . . . 71 ASP C . 50445 1 210 . 1 . 1 55 55 ASP CA C 13 55.829 0.02 . 1 . . . . . 71 ASP CA . 50445 1 211 . 1 . 1 55 55 ASP CB C 13 39.490 0.00 . 1 . . . . . 71 ASP CB . 50445 1 212 . 1 . 1 55 55 ASP N N 15 116.965 0.04 . 1 . . . . . 71 ASP N . 50445 1 213 . 1 . 1 56 56 ASN H H 1 8.538 0.00 . 1 . . . . . 72 ASN HN . 50445 1 214 . 1 . 1 56 56 ASN C C 13 173.475 0.02 . 1 . . . . . 72 ASN C . 50445 1 215 . 1 . 1 56 56 ASN CA C 13 54.043 0.06 . 1 . . . . . 72 ASN CA . 50445 1 216 . 1 . 1 56 56 ASN CB C 13 35.943 0.00 . 1 . . . . . 72 ASN CB . 50445 1 217 . 1 . 1 56 56 ASN N N 15 114.866 0.05 . 1 . . . . . 72 ASN N . 50445 1 218 . 1 . 1 57 57 CYS H H 1 8.593 0.00 . 1 . . . . . 73 CYS HN . 50445 1 219 . 1 . 1 57 57 CYS C C 13 171.180 0.00 . 1 . . . . . 73 CYS C . 50445 1 220 . 1 . 1 57 57 CYS CA C 13 55.420 0.05 . 1 . . . . . 73 CYS CA . 50445 1 221 . 1 . 1 57 57 CYS N N 15 110.664 0.06 . 1 . . . . . 73 CYS N . 50445 1 222 . 1 . 1 58 58 SER H H 1 7.311 0.00 . 1 . . . . . 74 SER HN . 50445 1 223 . 1 . 1 58 58 SER C C 13 171.948 0.00 . 1 . . . . . 74 SER C . 50445 1 224 . 1 . 1 58 58 SER CA C 13 58.510 0.00 . 1 . . . . . 74 SER CA . 50445 1 225 . 1 . 1 58 58 SER CB C 13 64.346 0.00 . 1 . . . . . 74 SER CB . 50445 1 226 . 1 . 1 58 58 SER N N 15 115.415 0.09 . 1 . . . . . 74 SER N . 50445 1 227 . 1 . 1 59 59 TYR C C 13 173.043 0.00 . 1 . . . . . 75 TYR C . 50445 1 228 . 1 . 1 59 59 TYR CA C 13 57.677 0.01 . 1 . . . . . 75 TYR CA . 50445 1 229 . 1 . 1 60 60 LYS H H 1 9.633 0.00 . 1 . . . . . 76 LYS HN . 50445 1 230 . 1 . 1 60 60 LYS C C 13 173.223 0.03 . 1 . . . . . 76 LYS C . 50445 1 231 . 1 . 1 60 60 LYS CA C 13 51.665 0.03 . 1 . . . . . 76 LYS CA . 50445 1 232 . 1 . 1 60 60 LYS CB C 13 33.758 0.05 . 1 . . . . . 76 LYS CB . 50445 1 233 . 1 . 1 60 60 LYS N N 15 115.979 0.08 . 1 . . . . . 76 LYS N . 50445 1 234 . 1 . 1 61 61 ALA H H 1 8.965 0.00 . 1 . . . . . 77 ALA HN . 50445 1 235 . 1 . 1 61 61 ALA C C 13 176.510 0.00 . 1 . . . . . 77 ALA C . 50445 1 236 . 1 . 1 61 61 ALA CA C 13 48.945 0.02 . 1 . . . . . 77 ALA CA . 50445 1 237 . 1 . 1 61 61 ALA CB C 13 19.770 0.02 . 1 . . . . . 77 ALA CB . 50445 1 238 . 1 . 1 61 61 ALA N N 15 125.217 0.04 . 1 . . . . . 77 ALA N . 50445 1 239 . 1 . 1 62 62 VAL H H 1 9.163 0.00 . 1 . . . . . 78 VAL NH . 50445 1 240 . 1 . 1 62 62 VAL C C 13 176.750 0.06 . 1 . . . . . 78 VAL C . 50445 1 241 . 1 . 1 62 62 VAL CA C 13 59.065 0.04 . 1 . . . . . 78 VAL CA . 50445 1 242 . 1 . 1 62 62 VAL CB C 13 33.893 0.03 . 1 . . . . . 78 VAL CB . 50445 1 243 . 1 . 1 62 62 VAL N N 15 121.436 0.06 . 1 . . . . . 78 VAL N . 50445 1 244 . 1 . 1 63 63 ASN H H 1 8.460 0.00 . 1 . . . . . 79 ASN HN . 50445 1 245 . 1 . 1 63 63 ASN C C 13 177.393 0.04 . 1 . . . . . 79 ASN C . 50445 1 246 . 1 . 1 63 63 ASN CA C 13 51.109 0.03 . 1 . . . . . 79 ASN CA . 50445 1 247 . 1 . 1 63 63 ASN CB C 13 37.934 0.00 . 1 . . . . . 79 ASN CB . 50445 1 248 . 1 . 1 63 63 ASN N N 15 122.336 0.07 . 1 . . . . . 79 ASN N . 50445 1 249 . 1 . 1 64 64 LYS H H 1 8.584 0.00 . 1 . . . . . 80 LYS HN . 50445 1 250 . 1 . 1 64 64 LYS C C 13 177.622 0.00 . 1 . . . . . 80 LYS C . 50445 1 251 . 1 . 1 64 64 LYS CA C 13 58.355 0.01 . 1 . . . . . 80 LYS CA . 50445 1 252 . 1 . 1 64 64 LYS N N 15 118.128 0.04 . 1 . . . . . 80 LYS N . 50445 1 253 . 1 . 1 65 65 LYS H H 1 7.420 0.00 . 1 . . . . . 81 LYS HN . 50445 1 254 . 1 . 1 65 65 LYS C C 13 176.663 0.01 . 1 . . . . . 81 LYS C . 50445 1 255 . 1 . 1 65 65 LYS CA C 13 55.708 0.01 . 1 . . . . . 81 LYS CA . 50445 1 256 . 1 . 1 65 65 LYS CB C 13 31.712 0.00 . 1 . . . . . 81 LYS CB . 50445 1 257 . 1 . 1 65 65 LYS N N 15 116.918 0.05 . 1 . . . . . 81 LYS N . 50445 1 258 . 1 . 1 66 66 GLY H H 1 8.106 0.00 . 1 . . . . . 82 GLY HN . 50445 1 259 . 1 . 1 66 66 GLY C C 13 174.238 0.01 . 1 . . . . . 82 GLY C . 50445 1 260 . 1 . 1 66 66 GLY CA C 13 44.917 0.03 . 1 . . . . . 82 GLY CA . 50445 1 261 . 1 . 1 66 66 GLY N N 15 107.644 0.03 . 1 . . . . . 82 GLY N . 50445 1 262 . 1 . 1 67 67 GLU H H 1 7.882 0.00 . 1 . . . . . 83 GLU HN . 50445 1 263 . 1 . 1 67 67 GLU C C 13 175.890 0.03 . 1 . . . . . 83 GLU C . 50445 1 264 . 1 . 1 67 67 GLU CA C 13 54.502 0.01 . 1 . . . . . 83 GLU CA . 50445 1 265 . 1 . 1 67 67 GLU CB C 13 28.793 0.01 . 1 . . . . . 83 GLU CB . 50445 1 266 . 1 . 1 67 67 GLU N N 15 120.143 0.05 . 1 . . . . . 83 GLU N . 50445 1 267 . 1 . 1 68 68 ILE H H 1 8.753 0.02 . 1 . . . . . 84 ILE HN . 50445 1 268 . 1 . 1 68 68 ILE CA C 13 62.596 0.00 . 1 . . . . . 84 ILE CA . 50445 1 269 . 1 . 1 68 68 ILE CB C 13 37.203 0.00 . 1 . . . . . 84 ILE CB . 50445 1 270 . 1 . 1 68 68 ILE N N 15 122.257 0.12 . 1 . . . . . 84 ILE N . 50445 1 271 . 1 . 1 69 69 ILE C C 13 174.836 0.00 . 1 . . . . . 85 ILE C . 50445 1 272 . 1 . 1 69 69 ILE CA C 13 60.366 0.00 . 1 . . . . . 85 ILE CA . 50445 1 273 . 1 . 1 70 70 GLY H H 1 7.506 0.00 . 1 . . . . . 86 GLY HN . 50445 1 274 . 1 . 1 70 70 GLY C C 13 171.187 0.02 . 1 . . . . . 86 GLY C . 50445 1 275 . 1 . 1 70 70 GLY CA C 13 45.726 0.02 . 1 . . . . . 86 GLY CA . 50445 1 276 . 1 . 1 70 70 GLY N N 15 108.542 0.08 . 1 . . . . . 86 GLY N . 50445 1 277 . 1 . 1 71 71 VAL H H 1 9.159 0.00 . 1 . . . . . 87 VAL HN . 50445 1 278 . 1 . 1 71 71 VAL C C 13 173.339 0.02 . 1 . . . . . 87 VAL C . 50445 1 279 . 1 . 1 71 71 VAL CA C 13 59.422 0.02 . 1 . . . . . 87 VAL CA . 50445 1 280 . 1 . 1 71 71 VAL CB C 13 36.312 0.16 . 1 . . . . . 87 VAL CB . 50445 1 281 . 1 . 1 71 71 VAL N N 15 116.120 0.06 . 1 . . . . . 87 VAL N . 50445 1 282 . 1 . 1 72 72 PHE H H 1 9.088 0.00 . 1 . . . . . 88 PHE HN . 50445 1 283 . 1 . 1 72 72 PHE C C 13 175.522 0.01 . 1 . . . . . 88 PHE C . 50445 1 284 . 1 . 1 72 72 PHE CA C 13 54.877 0.02 . 1 . . . . . 88 PHE CA . 50445 1 285 . 1 . 1 72 72 PHE CB C 13 39.777 0.00 . 1 . . . . . 88 PHE CB . 50445 1 286 . 1 . 1 72 72 PHE N N 15 123.408 0.03 . 1 . . . . . 88 PHE N . 50445 1 287 . 1 . 1 73 73 LEU H H 1 9.459 0.01 . 1 . . . . . 89 LEU HN . 50445 1 288 . 1 . 1 73 73 LEU C C 13 174.765 0.00 . 1 . . . . . 89 LEU C . 50445 1 289 . 1 . 1 73 73 LEU CA C 13 54.030 0.03 . 1 . . . . . 89 LEU CA . 50445 1 290 . 1 . 1 73 73 LEU N N 15 124.226 0.06 . 1 . . . . . 89 LEU N . 50445 1 291 . 1 . 1 74 74 ASN H H 1 8.609 0.00 . 1 . . . . . 90 ASN HN . 50445 1 292 . 1 . 1 74 74 ASN C C 13 172.790 0.00 . 1 . . . . . 90 ASN C . 50445 1 293 . 1 . 1 74 74 ASN CA C 13 51.756 0.05 . 1 . . . . . 90 ASN CA . 50445 1 294 . 1 . 1 74 74 ASN N N 15 121.608 0.08 . 1 . . . . . 90 ASN N . 50445 1 295 . 1 . 1 75 75 GLY H H 1 9.603 0.00 . 1 . . . . . 91 GLY HN . 50445 1 296 . 1 . 1 75 75 GLY C C 13 171.874 0.01 . 1 . . . . . 91 GLY C . 50445 1 297 . 1 . 1 75 75 GLY CA C 13 42.713 0.03 . 1 . . . . . 91 GLY CA . 50445 1 298 . 1 . 1 75 75 GLY N N 15 106.116 0.04 . 1 . . . . . 91 GLY N . 50445 1 299 . 1 . 1 76 76 LEU H H 1 8.570 0.00 . 1 . . . . . 92 LEU HN . 50445 1 300 . 1 . 1 76 76 LEU CA C 13 53.759 0.00 . 1 . . . . . 92 LEU CA . 50445 1 301 . 1 . 1 76 76 LEU N N 15 119.128 0.03 . 1 . . . . . 92 LEU N . 50445 1 302 . 1 . 1 77 77 MET C C 13 174.242 0.00 . 1 . . . . . 93 MET C . 50445 1 303 . 1 . 1 77 77 MET CA C 13 54.736 0.02 . 1 . . . . . 93 MET CA . 50445 1 304 . 1 . 1 77 77 MET CB C 13 34.740 0.00 . 1 . . . . . 93 MET CB . 50445 1 305 . 1 . 1 78 78 ARG H H 1 8.638 0.00 . 1 . . . . . 94 ARG HN . 50445 1 306 . 1 . 1 78 78 ARG C C 13 175.764 0.03 . 1 . . . . . 94 ARG C . 50445 1 307 . 1 . 1 78 78 ARG CA C 13 54.273 0.04 . 1 . . . . . 94 ARG CA . 50445 1 308 . 1 . 1 78 78 ARG CB C 13 30.854 0.02 . 1 . . . . . 94 ARG CB . 50445 1 309 . 1 . 1 78 78 ARG N N 15 124.522 0.04 . 1 . . . . . 94 ARG N . 50445 1 310 . 1 . 1 79 79 ARG H H 1 7.765 0.00 . 1 . . . . . 95 ARG HN . 50445 1 311 . 1 . 1 79 79 ARG C C 13 174.436 0.00 . 1 . . . . . 95 ARG C . 50445 1 312 . 1 . 1 79 79 ARG CA C 13 54.121 0.00 . 1 . . . . . 95 ARG CA . 50445 1 313 . 1 . 1 79 79 ARG CB C 13 29.498 0.00 . 1 . . . . . 95 ARG CB . 50445 1 314 . 1 . 1 79 79 ARG N N 15 126.377 0.06 . 1 . . . . . 95 ARG N . 50445 1 315 . 1 . 1 80 80 PRO C C 13 176.845 0.03 . 1 . . . . . 96 PRO C . 50445 1 316 . 1 . 1 80 80 PRO CA C 13 62.596 0.02 . 1 . . . . . 96 PRO CA . 50445 1 317 . 1 . 1 80 80 PRO CB C 13 31.423 0.00 . 1 . . . . . 96 PRO CB . 50445 1 318 . 1 . 1 81 81 SER H H 1 8.731 0.00 . 1 . . . . . 97 SER HN . 50445 1 319 . 1 . 1 81 81 SER CA C 13 55.835 0.00 . 1 . . . . . 97 SER CA . 50445 1 320 . 1 . 1 81 81 SER CB C 13 63.429 0.00 . 1 . . . . . 97 SER CB . 50445 1 321 . 1 . 1 81 81 SER N N 15 119.316 0.04 . 1 . . . . . 97 SER N . 50445 1 322 . 1 . 1 82 82 PRO C C 13 176.670 0.00 . 1 . . . . . 98 PRO C . 50445 1 323 . 1 . 1 82 82 PRO CA C 13 64.534 0.01 . 1 . . . . . 98 PRO CA . 50445 1 324 . 1 . 1 82 82 PRO CB C 13 30.941 0.00 . 1 . . . . . 98 PRO CB . 50445 1 325 . 1 . 1 83 83 ASP H H 1 7.953 0.00 . 1 . . . . . 99 ASP HN . 50445 1 326 . 1 . 1 83 83 ASP C C 13 175.924 0.03 . 1 . . . . . 99 ASP C . 50445 1 327 . 1 . 1 83 83 ASP CA C 13 53.850 0.01 . 1 . . . . . 99 ASP CA . 50445 1 328 . 1 . 1 83 83 ASP CB C 13 40.400 0.00 . 1 . . . . . 99 ASP CB . 50445 1 329 . 1 . 1 83 83 ASP N N 15 114.227 0.04 . 1 . . . . . 99 ASP N . 50445 1 330 . 1 . 1 84 84 ASP H H 1 7.493 0.00 . 1 . . . . . 100 ASP HN . 50445 1 331 . 1 . 1 84 84 ASP C C 13 175.940 0.02 . 1 . . . . . 100 ASP C . 50445 1 332 . 1 . 1 84 84 ASP CA C 13 54.340 0.03 . 1 . . . . . 100 ASP CA . 50445 1 333 . 1 . 1 84 84 ASP CB C 13 40.913 0.03 . 1 . . . . . 100 ASP CB . 50445 1 334 . 1 . 1 84 84 ASP N N 15 120.875 0.03 . 1 . . . . . 100 ASP N . 50445 1 335 . 1 . 1 85 85 VAL H H 1 8.501 0.00 . 1 . . . . . 101 VAL HN . 50445 1 336 . 1 . 1 85 85 VAL C C 13 174.566 0.00 . 1 . . . . . 101 VAL C . 50445 1 337 . 1 . 1 85 85 VAL CA C 13 59.497 0.00 . 1 . . . . . 101 VAL CA . 50445 1 338 . 1 . 1 85 85 VAL CB C 13 31.731 0.00 . 1 . . . . . 101 VAL CB . 50445 1 339 . 1 . 1 85 85 VAL N N 15 123.634 0.04 . 1 . . . . . 101 VAL N . 50445 1 340 . 1 . 1 86 86 PRO C C 13 176.659 0.00 . 1 . . . . . 102 PRO C . 50445 1 341 . 1 . 1 86 86 PRO CA C 13 62.814 0.02 . 1 . . . . . 102 PRO CA . 50445 1 342 . 1 . 1 86 86 PRO CB C 13 31.274 0.00 . 1 . . . . . 102 PRO CB . 50445 1 343 . 1 . 1 87 87 GLU H H 1 8.590 0.00 . 1 . . . . . 103 GLU HN . 50445 1 344 . 1 . 1 87 87 GLU C C 13 176.192 0.01 . 1 . . . . . 103 GLU C . 50445 1 345 . 1 . 1 87 87 GLU CA C 13 55.494 0.02 . 1 . . . . . 103 GLU CA . 50445 1 346 . 1 . 1 87 87 GLU CB C 13 30.138 0.00 . 1 . . . . . 103 GLU CB . 50445 1 347 . 1 . 1 87 87 GLU N N 15 122.680 0.05 . 1 . . . . . 103 GLU N . 50445 1 348 . 1 . 1 88 88 LYS H H 1 8.785 0.00 . 1 . . . . . 104 LYS HN . 50445 1 349 . 1 . 1 88 88 LYS C C 13 177.775 0.01 . 1 . . . . . 104 LYS C . 50445 1 350 . 1 . 1 88 88 LYS CA C 13 54.557 0.01 . 1 . . . . . 104 LYS CA . 50445 1 351 . 1 . 1 88 88 LYS CB C 13 30.092 0.06 . 1 . . . . . 104 LYS CB . 50445 1 352 . 1 . 1 88 88 LYS N N 15 124.883 0.03 . 1 . . . . . 104 LYS N . 50445 1 353 . 1 . 1 89 89 ALA H H 1 10.496 0.00 . 1 . . . . . 105 ALA HN . 50445 1 354 . 1 . 1 89 89 ALA C C 13 180.906 0.01 . 1 . . . . . 105 ALA C . 50445 1 355 . 1 . 1 89 89 ALA CA C 13 54.522 0.03 . 1 . . . . . 105 ALA CA . 50445 1 356 . 1 . 1 89 89 ALA CB C 13 18.508 0.00 . 1 . . . . . 105 ALA CB . 50445 1 357 . 1 . 1 89 89 ALA N N 15 132.985 0.07 . 1 . . . . . 105 ALA N . 50445 1 358 . 1 . 1 90 90 ALA H H 1 9.660 0.00 . 1 . . . . . 106 ALA HN . 50445 1 359 . 1 . 1 90 90 ALA C C 13 179.403 0.00 . 1 . . . . . 106 ALA C . 50445 1 360 . 1 . 1 90 90 ALA CA C 13 54.409 0.01 . 1 . . . . . 106 ALA CA . 50445 1 361 . 1 . 1 90 90 ALA CB C 13 18.483 0.00 . 1 . . . . . 106 ALA CB . 50445 1 362 . 1 . 1 90 90 ALA N N 15 119.095 0.05 . 1 . . . . . 106 ALA N . 50445 1 363 . 1 . 1 91 91 ASP H H 1 7.096 0.00 . 1 . . . . . 107 ASP HN . 50445 1 364 . 1 . 1 91 91 ASP C C 13 177.163 0.04 . 1 . . . . . 107 ASP C . 50445 1 365 . 1 . 1 91 91 ASP CA C 13 56.355 0.01 . 1 . . . . . 107 ASP CA . 50445 1 366 . 1 . 1 91 91 ASP CB C 13 39.596 0.01 . 1 . . . . . 107 ASP CB . 50445 1 367 . 1 . 1 91 91 ASP N N 15 113.955 0.05 . 1 . . . . . 107 ASP N . 50445 1 368 . 1 . 1 92 92 SER H H 1 7.453 0.01 . 1 . . . . . 108 SER HN . 50445 1 369 . 1 . 1 92 92 SER C C 13 173.115 0.00 . 1 . . . . . 108 SER C . 50445 1 370 . 1 . 1 92 92 SER CA C 13 57.475 0.01 . 1 . . . . . 108 SER CA . 50445 1 371 . 1 . 1 92 92 SER CB C 13 63.501 0.00 . 1 . . . . . 108 SER CB . 50445 1 372 . 1 . 1 92 92 SER N N 15 111.573 0.04 . 1 . . . . . 108 SER N . 50445 1 373 . 1 . 1 93 93 CYS H H 1 7.369 0.00 . 1 . . . . . 109 CYS HN . 50445 1 374 . 1 . 1 93 93 CYS C C 13 174.132 0.02 . 1 . . . . . 109 CYS C . 50445 1 375 . 1 . 1 93 93 CYS CA C 13 57.923 0.01 . 1 . . . . . 109 CYS CA . 50445 1 376 . 1 . 1 93 93 CYS CB C 13 29.102 0.00 . 1 . . . . . 109 CYS CB . 50445 1 377 . 1 . 1 93 93 CYS N N 15 121.827 0.04 . 1 . . . . . 109 CYS N . 50445 1 378 . 1 . 1 94 94 GLU H H 1 9.873 0.00 . 1 . . . . . 110 GLU HN . 50445 1 379 . 1 . 1 94 94 GLU C C 13 176.597 0.02 . 1 . . . . . 110 GLU C . 50445 1 380 . 1 . 1 94 94 GLU CA C 13 56.272 0.02 . 1 . . . . . 110 GLU CA . 50445 1 381 . 1 . 1 94 94 GLU CB C 13 29.370 0.01 . 1 . . . . . 110 GLU CB . 50445 1 382 . 1 . 1 94 94 GLU N N 15 128.438 0.04 . 1 . . . . . 110 GLU N . 50445 1 383 . 1 . 1 95 95 HIS H H 1 8.261 0.01 . 1 . . . . . 111 HIS HN . 50445 1 384 . 1 . 1 95 95 HIS C C 13 175.360 0.00 . 1 . . . . . 111 HIS C . 50445 1 385 . 1 . 1 95 95 HIS CA C 13 55.669 0.00 . 1 . . . . . 111 HIS CA . 50445 1 386 . 1 . 1 95 95 HIS CB C 13 31.504 0.00 . 1 . . . . . 111 HIS CB . 50445 1 387 . 1 . 1 95 95 HIS N N 15 125.851 0.03 . 1 . . . . . 111 HIS N . 50445 1 388 . 1 . 1 96 96 PRO C C 13 179.270 0.00 . 1 . . . . . 112 PRO C . 50445 1 389 . 1 . 1 96 96 PRO CA C 13 65.156 0.00 . 1 . . . . . 112 PRO CA . 50445 1 390 . 1 . 1 97 97 LYS H H 1 8.164 0.00 . 1 . . . . . 113 LYS HN . 50445 1 391 . 1 . 1 97 97 LYS C C 13 178.337 0.00 . 1 . . . . . 113 LYS C . 50445 1 392 . 1 . 1 97 97 LYS CA C 13 58.717 0.03 . 1 . . . . . 113 LYS CA . 50445 1 393 . 1 . 1 97 97 LYS N N 15 115.723 0.03 . 1 . . . . . 113 LYS N . 50445 1 394 . 1 . 1 98 98 PHE H H 1 9.604 0.00 . 1 . . . . . 114 PHE HN . 50445 1 395 . 1 . 1 98 98 PHE C C 13 177.469 0.00 . 1 . . . . . 114 PHE C . 50445 1 396 . 1 . 1 98 98 PHE CA C 13 60.146 0.05 . 1 . . . . . 114 PHE CA . 50445 1 397 . 1 . 1 98 98 PHE N N 15 122.161 0.08 . 1 . . . . . 114 PHE N . 50445 1 398 . 1 . 1 99 99 LYS H H 1 8.653 0.00 . 1 . . . . . 115 LYS HN . 50445 1 399 . 1 . 1 99 99 LYS C C 13 178.201 0.03 . 1 . . . . . 115 LYS C . 50445 1 400 . 1 . 1 99 99 LYS CA C 13 60.028 0.00 . 1 . . . . . 115 LYS CA . 50445 1 401 . 1 . 1 99 99 LYS CB C 13 31.847 0.00 . 1 . . . . . 115 LYS CB . 50445 1 402 . 1 . 1 99 99 LYS N N 15 117.657 0.03 . 1 . . . . . 115 LYS N . 50445 1 403 . 1 . 1 100 100 LYS H H 1 7.345 0.00 . 1 . . . . . 116 LYS HN . 50445 1 404 . 1 . 1 100 100 LYS C C 13 180.782 0.01 . 1 . . . . . 116 LYS C . 50445 1 405 . 1 . 1 100 100 LYS CA C 13 59.569 0.03 . 1 . . . . . 116 LYS CA . 50445 1 406 . 1 . 1 100 100 LYS CB C 13 31.807 0.00 . 1 . . . . . 116 LYS CB . 50445 1 407 . 1 . 1 100 100 LYS N N 15 115.842 0.03 . 1 . . . . . 116 LYS N . 50445 1 408 . 1 . 1 101 101 ILE H H 1 7.186 0.00 . 1 . . . . . 117 ILE HN . 50445 1 409 . 1 . 1 101 101 ILE C C 13 177.582 0.01 . 1 . . . . . 117 ILE C . 50445 1 410 . 1 . 1 101 101 ILE CA C 13 65.552 0.02 . 1 . . . . . 117 ILE CA . 50445 1 411 . 1 . 1 101 101 ILE CB C 13 36.589 0.00 . 1 . . . . . 117 ILE CB . 50445 1 412 . 1 . 1 101 101 ILE N N 15 120.212 0.06 . 1 . . . . . 117 ILE N . 50445 1 413 . 1 . 1 102 102 LEU H H 1 7.567 0.01 . 1 . . . . . 118 LEU HN . 50445 1 414 . 1 . 1 102 102 LEU C C 13 178.997 0.01 . 1 . . . . . 118 LEU C . 50445 1 415 . 1 . 1 102 102 LEU CA C 13 57.318 0.01 . 1 . . . . . 118 LEU CA . 50445 1 416 . 1 . 1 102 102 LEU CB C 13 39.339 0.00 . 1 . . . . . 118 LEU CB . 50445 1 417 . 1 . 1 102 102 LEU N N 15 117.926 0.03 . 1 . . . . . 118 LEU N . 50445 1 418 . 1 . 1 103 103 SER H H 1 8.815 0.00 . 1 . . . . . 119 SER HN . 50445 1 419 . 1 . 1 103 103 SER C C 13 176.780 0.00 . 1 . . . . . 119 SER C . 50445 1 420 . 1 . 1 103 103 SER CA C 13 62.375 0.01 . 1 . . . . . 119 SER CA . 50445 1 421 . 1 . 1 103 103 SER N N 15 115.091 0.06 . 1 . . . . . 119 SER N . 50445 1 422 . 1 . 1 104 104 LEU H H 1 7.343 0.00 . 1 . . . . . 120 LEU HN . 50445 1 423 . 1 . 1 104 104 LEU C C 13 177.789 0.02 . 1 . . . . . 120 LEU C . 50445 1 424 . 1 . 1 104 104 LEU CA C 13 58.009 0.02 . 1 . . . . . 120 LEU CA . 50445 1 425 . 1 . 1 104 104 LEU CB C 13 39.141 0.00 . 1 . . . . . 120 LEU CB . 50445 1 426 . 1 . 1 104 104 LEU N N 15 124.846 0.08 . 1 . . . . . 120 LEU N . 50445 1 427 . 1 . 1 105 105 MET H H 1 7.886 0.00 . 1 . . . . . 121 MET HN . 50445 1 428 . 1 . 1 105 105 MET C C 13 179.572 0.00 . 1 . . . . . 121 MET C . 50445 1 429 . 1 . 1 105 105 MET CA C 13 57.595 0.04 . 1 . . . . . 121 MET CA . 50445 1 430 . 1 . 1 105 105 MET CB C 13 30.226 0.00 . 1 . . . . . 121 MET CB . 50445 1 431 . 1 . 1 105 105 MET N N 15 118.450 0.03 . 1 . . . . . 121 MET N . 50445 1 432 . 1 . 1 106 106 ASP H H 1 8.780 0.00 . 1 . . . . . 122 ASP HN . 50445 1 433 . 1 . 1 106 106 ASP C C 13 178.919 0.00 . 1 . . . . . 122 ASP C . 50445 1 434 . 1 . 1 106 106 ASP CA C 13 57.132 0.01 . 1 . . . . . 122 ASP CA . 50445 1 435 . 1 . 1 106 106 ASP CB C 13 40.339 0.00 . 1 . . . . . 122 ASP CB . 50445 1 436 . 1 . 1 106 106 ASP N N 15 120.083 0.02 . 1 . . . . . 122 ASP N . 50445 1 437 . 1 . 1 107 107 HIS H H 1 8.250 0.00 . 1 . . . . . 123 HIS HN . 50445 1 438 . 1 . 1 107 107 HIS C C 13 178.105 0.00 . 1 . . . . . 123 HIS C . 50445 1 439 . 1 . 1 107 107 HIS CA C 13 59.717 0.05 . 1 . . . . . 123 HIS CA . 50445 1 440 . 1 . 1 107 107 HIS N N 15 121.476 0.05 . 1 . . . . . 123 HIS N . 50445 1 441 . 1 . 1 108 108 VAL H H 1 8.619 0.00 . 1 . . . . . 124 VAL HN . 50445 1 442 . 1 . 1 108 108 VAL C C 13 177.283 0.03 . 1 . . . . . 124 VAL C . 50445 1 443 . 1 . 1 108 108 VAL CA C 13 67.607 0.04 . 1 . . . . . 124 VAL CA . 50445 1 444 . 1 . 1 108 108 VAL CB C 13 30.322 0.00 . 1 . . . . . 124 VAL CB . 50445 1 445 . 1 . 1 108 108 VAL N N 15 120.017 0.03 . 1 . . . . . 124 VAL N . 50445 1 446 . 1 . 1 109 109 GLU H H 1 7.704 0.00 . 1 . . . . . 125 GLU HN . 50445 1 447 . 1 . 1 109 109 GLU C C 13 178.037 0.00 . 1 . . . . . 125 GLU C . 50445 1 448 . 1 . 1 109 109 GLU CA C 13 58.269 0.03 . 1 . . . . . 125 GLU CA . 50445 1 449 . 1 . 1 109 109 GLU N N 15 116.430 0.05 . 1 . . . . . 125 GLU N . 50445 1 450 . 1 . 1 110 110 GLU H H 1 7.629 0.00 . 1 . . . . . 126 GLU HN . 50445 1 451 . 1 . 1 110 110 GLU C C 13 178.183 0.02 . 1 . . . . . 126 GLU C . 50445 1 452 . 1 . 1 110 110 GLU CA C 13 57.727 0.03 . 1 . . . . . 126 GLU CA . 50445 1 453 . 1 . 1 110 110 GLU N N 15 117.308 0.03 . 1 . . . . . 126 GLU N . 50445 1 454 . 1 . 1 111 111 GLN H H 1 7.703 0.00 . 1 . . . . . 127 GLN HN . 50445 1 455 . 1 . 1 111 111 GLN C C 13 175.727 0.01 . 1 . . . . . 127 GLN C . 50445 1 456 . 1 . 1 111 111 GLN CA C 13 55.712 0.03 . 1 . . . . . 127 GLN CA . 50445 1 457 . 1 . 1 111 111 GLN N N 15 115.914 0.03 . 1 . . . . . 127 GLN N . 50445 1 458 . 1 . 1 112 112 PHE H H 1 8.177 0.00 . 1 . . . . . 128 PHE HN . 50445 1 459 . 1 . 1 112 112 PHE C C 13 171.279 0.01 . 1 . . . . . 128 PHE C . 50445 1 460 . 1 . 1 112 112 PHE CA C 13 57.472 0.01 . 1 . . . . . 128 PHE CA . 50445 1 461 . 1 . 1 112 112 PHE CB C 13 39.323 0.00 . 1 . . . . . 128 PHE CB . 50445 1 462 . 1 . 1 112 112 PHE N N 15 121.042 0.03 . 1 . . . . . 128 PHE N . 50445 1 463 . 1 . 1 113 113 ASN H H 1 7.675 0.00 . 1 . . . . . 129 ASN HN . 50445 1 464 . 1 . 1 113 113 ASN C C 13 176.086 0.00 . 1 . . . . . 129 ASN C . 50445 1 465 . 1 . 1 113 113 ASN CA C 13 50.412 0.01 . 1 . . . . . 129 ASN CA . 50445 1 466 . 1 . 1 113 113 ASN CB C 13 39.461 0.06 . 1 . . . . . 129 ASN CB . 50445 1 467 . 1 . 1 113 113 ASN N N 15 124.210 0.05 . 1 . . . . . 129 ASN N . 50445 1 468 . 1 . 1 114 114 ILE H H 1 8.768 0.00 . 1 . . . . . 130 ILE HN . 50445 1 469 . 1 . 1 114 114 ILE C C 13 175.790 0.00 . 1 . . . . . 130 ILE C . 50445 1 470 . 1 . 1 114 114 ILE CA C 13 60.132 0.02 . 1 . . . . . 130 ILE CA . 50445 1 471 . 1 . 1 114 114 ILE CB C 13 37.524 0.00 . 1 . . . . . 130 ILE CB . 50445 1 472 . 1 . 1 114 114 ILE N N 15 126.531 0.04 . 1 . . . . . 130 ILE N . 50445 1 473 . 1 . 1 115 115 PHE H H 1 7.873 0.00 . 1 . . . . . 131 PHE HN . 50445 1 474 . 1 . 1 115 115 PHE C C 13 176.734 0.00 . 1 . . . . . 131 PHE C . 50445 1 475 . 1 . 1 115 115 PHE CA C 13 61.251 0.07 . 1 . . . . . 131 PHE CA . 50445 1 476 . 1 . 1 115 115 PHE CB C 13 36.253 0.00 . 1 . . . . . 131 PHE CB . 50445 1 477 . 1 . 1 115 115 PHE N N 15 119.511 0.05 . 1 . . . . . 131 PHE N . 50445 1 478 . 1 . 1 116 116 ASP H H 1 7.970 0.00 . 1 . . . . . 132 ASP HN . 50445 1 479 . 1 . 1 116 116 ASP C C 13 178.127 0.00 . 1 . . . . . 132 ASP C . 50445 1 480 . 1 . 1 116 116 ASP CA C 13 55.903 0.06 . 1 . . . . . 132 ASP CA . 50445 1 481 . 1 . 1 116 116 ASP CB C 13 39.522 0.00 . 1 . . . . . 132 ASP CB . 50445 1 482 . 1 . 1 116 116 ASP N N 15 118.026 0.03 . 1 . . . . . 132 ASP N . 50445 1 483 . 1 . 1 117 117 VAL H H 1 6.978 0.00 . 1 . . . . . 133 VAL HN . 50445 1 484 . 1 . 1 117 117 VAL C C 13 175.513 0.00 . 1 . . . . . 133 VAL C . 50445 1 485 . 1 . 1 117 117 VAL CA C 13 63.298 0.01 . 1 . . . . . 133 VAL CA . 50445 1 486 . 1 . 1 117 117 VAL CB C 13 31.163 0.00 . 1 . . . . . 133 VAL CB . 50445 1 487 . 1 . 1 117 117 VAL N N 15 118.775 0.02 . 1 . . . . . 133 VAL N . 50445 1 488 . 1 . 1 118 118 TYR H H 1 7.156 0.00 . 1 . . . . . 134 TYR HN . 50445 1 489 . 1 . 1 118 118 TYR CA C 13 56.062 0.00 . 1 . . . . . 134 TYR CA . 50445 1 490 . 1 . 1 118 118 TYR CB C 13 37.598 0.00 . 1 . . . . . 134 TYR CB . 50445 1 491 . 1 . 1 118 118 TYR N N 15 117.675 0.03 . 1 . . . . . 134 TYR N . 50445 1 492 . 1 . 1 119 119 PRO C C 13 178.420 0.00 . 1 . . . . . 135 PRO C . 50445 1 493 . 1 . 1 119 119 PRO CA C 13 64.441 0.01 . 1 . . . . . 135 PRO CA . 50445 1 494 . 1 . 1 119 119 PRO CB C 13 31.403 0.00 . 1 . . . . . 135 PRO CB . 50445 1 495 . 1 . 1 120 120 ASP H H 1 8.832 0.00 . 1 . . . . . 136 ASP HN . 50445 1 496 . 1 . 1 120 120 ASP C C 13 176.494 0.02 . 1 . . . . . 136 ASP C . 50445 1 497 . 1 . 1 120 120 ASP CA C 13 54.311 0.01 . 1 . . . . . 136 ASP CA . 50445 1 498 . 1 . 1 120 120 ASP CB C 13 40.552 0.00 . 1 . . . . . 136 ASP CB . 50445 1 499 . 1 . 1 120 120 ASP N N 15 117.692 0.07 . 1 . . . . . 136 ASP N . 50445 1 500 . 1 . 1 121 121 GLU H H 1 7.638 0.00 . 1 . . . . . 137 GLU HN . 50445 1 501 . 1 . 1 121 121 GLU C C 13 175.633 0.02 . 1 . . . . . 137 GLU C . 50445 1 502 . 1 . 1 121 121 GLU CA C 13 54.639 0.01 . 1 . . . . . 137 GLU CA . 50445 1 503 . 1 . 1 121 121 GLU CB C 13 29.084 0.10 . 1 . . . . . 137 GLU CB . 50445 1 504 . 1 . 1 121 121 GLU N N 15 117.272 0.03 . 1 . . . . . 137 GLU N . 50445 1 505 . 1 . 1 122 122 GLU H H 1 9.031 0.00 . 1 . . . . . 138 GLU HN . 50445 1 506 . 1 . 1 122 122 GLU C C 13 175.964 0.04 . 1 . . . . . 138 GLU C . 50445 1 507 . 1 . 1 122 122 GLU CA C 13 56.706 0.02 . 1 . . . . . 138 GLU CA . 50445 1 508 . 1 . 1 122 122 GLU CB C 13 30.726 0.10 . 1 . . . . . 138 GLU CB . 50445 1 509 . 1 . 1 122 122 GLU N N 15 119.022 0.04 . 1 . . . . . 138 GLU N . 50445 1 510 . 1 . 1 123 123 LEU H H 1 7.885 0.01 . 1 . . . . . 139 LEU HN . 50445 1 511 . 1 . 1 123 123 LEU C C 13 174.061 0.00 . 1 . . . . . 139 LEU C . 50445 1 512 . 1 . 1 123 123 LEU CA C 13 54.052 0.01 . 1 . . . . . 139 LEU CA . 50445 1 513 . 1 . 1 123 123 LEU CB C 13 45.394 0.09 . 1 . . . . . 139 LEU CB . 50445 1 514 . 1 . 1 123 123 LEU N N 15 122.413 0.09 . 1 . . . . . 139 LEU N . 50445 1 515 . 1 . 1 124 124 ILE H H 1 9.236 0.00 . 1 . . . . . 140 ILE HN . 50445 1 516 . 1 . 1 124 124 ILE C C 13 173.990 0.00 . 1 . . . . . 140 ILE C . 50445 1 517 . 1 . 1 124 124 ILE CA C 13 60.717 0.03 . 1 . . . . . 140 ILE CA . 50445 1 518 . 1 . 1 124 124 ILE CB C 13 42.091 0.00 . 1 . . . . . 140 ILE CB . 50445 1 519 . 1 . 1 124 124 ILE N N 15 126.195 0.03 . 1 . . . . . 140 ILE N . 50445 1 520 . 1 . 1 125 125 LEU H H 1 8.066 0.00 . 1 . . . . . 141 LEU HN . 50445 1 521 . 1 . 1 125 125 LEU C C 13 173.042 0.00 . 1 . . . . . 141 LEU C . 50445 1 522 . 1 . 1 125 125 LEU CA C 13 54.784 0.00 . 1 . . . . . 141 LEU CA . 50445 1 523 . 1 . 1 125 125 LEU CB C 13 42.499 0.00 . 1 . . . . . 141 LEU CB . 50445 1 524 . 1 . 1 125 125 LEU N N 15 128.427 0.02 . 1 . . . . . 141 LEU N . 50445 1 525 . 1 . 1 126 126 ASP H H 1 9.455 0.00 . 1 . . . . . 142 ASP HN . 50445 1 526 . 1 . 1 126 126 ASP C C 13 176.696 0.00 . 1 . . . . . 142 ASP C . 50445 1 527 . 1 . 1 126 126 ASP CA C 13 51.686 0.02 . 1 . . . . . 142 ASP CA . 50445 1 528 . 1 . 1 126 126 ASP CB C 13 42.571 0.00 . 1 . . . . . 142 ASP CB . 50445 1 529 . 1 . 1 126 126 ASP N N 15 128.785 0.05 . 1 . . . . . 142 ASP N . 50445 1 530 . 1 . 1 127 127 GLY H H 1 10.252 0.00 . 1 . . . . . 143 GLY HN . 50445 1 531 . 1 . 1 127 127 GLY C C 13 173.919 0.04 . 1 . . . . . 143 GLY C . 50445 1 532 . 1 . 1 127 127 GLY CA C 13 47.571 0.02 . 1 . . . . . 143 GLY CA . 50445 1 533 . 1 . 1 127 127 GLY N N 15 114.007 0.04 . 1 . . . . . 143 GLY N . 50445 1 534 . 1 . 1 128 128 LYS H H 1 9.387 0.00 . 1 . . . . . 144 LYS HN . 50445 1 535 . 1 . 1 128 128 LYS C C 13 177.573 0.00 . 1 . . . . . 144 LYS C . 50445 1 536 . 1 . 1 128 128 LYS CA C 13 56.828 0.03 . 1 . . . . . 144 LYS CA . 50445 1 537 . 1 . 1 128 128 LYS N N 15 127.123 0.03 . 1 . . . . . 144 LYS N . 50445 1 538 . 1 . 1 129 129 ILE H H 1 7.210 0.00 . 1 . . . . . 145 ILE HN . 50445 1 539 . 1 . 1 129 129 ILE C C 13 172.080 0.00 . 1 . . . . . 145 ILE C . 50445 1 540 . 1 . 1 129 129 ILE CA C 13 61.091 0.01 . 1 . . . . . 145 ILE CA . 50445 1 541 . 1 . 1 129 129 ILE CB C 13 43.055 0.04 . 1 . . . . . 145 ILE CB . 50445 1 542 . 1 . 1 129 129 ILE N N 15 116.237 0.07 . 1 . . . . . 145 ILE N . 50445 1 543 . 1 . 1 130 130 LEU H H 1 7.847 0.00 . 1 . . . . . 146 LEU HN . 50445 1 544 . 1 . 1 130 130 LEU C C 13 174.821 0.00 . 1 . . . . . 146 LEU C . 50445 1 545 . 1 . 1 130 130 LEU CA C 13 52.934 0.03 . 1 . . . . . 146 LEU CA . 50445 1 546 . 1 . 1 130 130 LEU CB C 13 40.741 0.00 . 1 . . . . . 146 LEU CB . 50445 1 547 . 1 . 1 130 130 LEU N N 15 130.105 0.06 . 1 . . . . . 146 LEU N . 50445 1 548 . 1 . 1 131 131 SER H H 1 8.449 0.00 . 1 . . . . . 147 SER HN . 50445 1 549 . 1 . 1 131 131 SER C C 13 172.577 0.00 . 1 . . . . . 147 SER C . 50445 1 550 . 1 . 1 131 131 SER CA C 13 56.570 0.03 . 1 . . . . . 147 SER CA . 50445 1 551 . 1 . 1 131 131 SER N N 15 118.804 0.04 . 1 . . . . . 147 SER N . 50445 1 552 . 1 . 1 132 132 VAL H H 1 7.863 0.01 . 1 . . . . . 148 VAL HN . 50445 1 553 . 1 . 1 132 132 VAL C C 13 174.328 0.00 . 1 . . . . . 148 VAL C . 50445 1 554 . 1 . 1 132 132 VAL CA C 13 60.842 0.03 . 1 . . . . . 148 VAL CA . 50445 1 555 . 1 . 1 132 132 VAL CB C 13 34.624 0.13 . 1 . . . . . 148 VAL CB . 50445 1 556 . 1 . 1 132 132 VAL N N 15 125.769 0.05 . 1 . . . . . 148 VAL N . 50445 1 557 . 1 . 1 133 133 ASP H H 1 7.925 0.01 . 1 . . . . . 149 ASP HN . 50445 1 558 . 1 . 1 133 133 ASP C C 13 177.716 0.00 . 1 . . . . . 149 ASP C . 50445 1 559 . 1 . 1 133 133 ASP CA C 13 54.007 0.03 . 1 . . . . . 149 ASP CA . 50445 1 560 . 1 . 1 133 133 ASP CB C 13 41.977 0.02 . 1 . . . . . 149 ASP CB . 50445 1 561 . 1 . 1 133 133 ASP N N 15 127.240 0.07 . 1 . . . . . 149 ASP N . 50445 1 562 . 1 . 1 134 134 THR H H 1 6.486 0.00 . 1 . . . . . 150 THR HN . 50445 1 563 . 1 . 1 134 134 THR C C 13 176.171 0.00 . 1 . . . . . 150 THR C . 50445 1 564 . 1 . 1 134 134 THR CA C 13 64.595 0.03 . 1 . . . . . 150 THR CA . 50445 1 565 . 1 . 1 134 134 THR CB C 13 68.590 0.00 . 1 . . . . . 150 THR CB . 50445 1 566 . 1 . 1 134 134 THR N N 15 120.445 0.05 . 1 . . . . . 150 THR N . 50445 1 567 . 1 . 1 135 135 ASN H H 1 9.678 0.00 . 1 . . . . . 151 ASN HN . 50445 1 568 . 1 . 1 135 135 ASN C C 13 175.187 0.04 . 1 . . . . . 151 ASN C . 50445 1 569 . 1 . 1 135 135 ASN CA C 13 54.861 0.07 . 1 . . . . . 151 ASN CA . 50445 1 570 . 1 . 1 135 135 ASN CB C 13 37.721 0.00 . 1 . . . . . 151 ASN CB . 50445 1 571 . 1 . 1 135 135 ASN N N 15 119.758 0.07 . 1 . . . . . 151 ASN N . 50445 1 572 . 1 . 1 136 136 TYR H H 1 8.188 0.00 . 1 . . . . . 152 TYR HN . 50445 1 573 . 1 . 1 136 136 TYR C C 13 174.767 0.00 . 1 . . . . . 152 TYR C . 50445 1 574 . 1 . 1 136 136 TYR CA C 13 56.761 0.03 . 1 . . . . . 152 TYR CA . 50445 1 575 . 1 . 1 136 136 TYR CB C 13 37.426 0.00 . 1 . . . . . 152 TYR CB . 50445 1 576 . 1 . 1 136 136 TYR N N 15 118.078 0.12 . 1 . . . . . 152 TYR N . 50445 1 577 . 1 . 1 137 137 ARG H H 1 7.184 0.01 . 1 . . . . . 153 ARG HN . 50445 1 578 . 1 . 1 137 137 ARG CA C 13 57.079 0.00 . 1 . . . . . 153 ARG CA . 50445 1 579 . 1 . 1 137 137 ARG CB C 13 29.577 0.00 . 1 . . . . . 153 ARG CB . 50445 1 580 . 1 . 1 137 137 ARG N N 15 119.247 0.06 . 1 . . . . . 153 ARG N . 50445 1 581 . 1 . 1 138 138 GLY C C 13 171.962 0.00 . 1 . . . . . 154 GLY C . 50445 1 582 . 1 . 1 139 139 LEU H H 1 8.237 0.00 . 1 . . . . . 155 LEU HN . 50445 1 583 . 1 . 1 139 139 LEU CA C 13 53.901 0.00 . 1 . . . . . 155 LEU CA . 50445 1 584 . 1 . 1 139 139 LEU N N 15 118.892 0.00 . 1 . . . . . 155 LEU N . 50445 1 585 . 1 . 1 141 141 ILE C C 13 177.477 0.00 . 1 . . . . . 157 ILE C . 50445 1 586 . 1 . 1 142 142 ALA H H 1 8.510 0.00 . 1 . . . . . 158 ALA HN . 50445 1 587 . 1 . 1 142 142 ALA C C 13 180.703 0.00 . 1 . . . . . 158 ALA C . 50445 1 588 . 1 . 1 142 142 ALA CA C 13 55.615 0.04 . 1 . . . . . 158 ALA CA . 50445 1 589 . 1 . 1 142 142 ALA N N 15 120.686 0.03 . 1 . . . . . 158 ALA N . 50445 1 590 . 1 . 1 143 143 GLY H H 1 8.432 0.00 . 1 . . . . . 159 GLY HN . 50445 1 591 . 1 . 1 143 143 GLY C C 13 175.793 0.00 . 1 . . . . . 159 GLY C . 50445 1 592 . 1 . 1 143 143 GLY CA C 13 46.704 0.01 . 1 . . . . . 159 GLY CA . 50445 1 593 . 1 . 1 143 143 GLY N N 15 106.642 0.01 . 1 . . . . . 159 GLY N . 50445 1 594 . 1 . 1 144 144 ARG H H 1 8.069 0.00 . 1 . . . . . 160 ARG HN . 50445 1 595 . 1 . 1 144 144 ARG C C 13 180.562 0.00 . 1 . . . . . 160 ARG C . 50445 1 596 . 1 . 1 144 144 ARG CA C 13 58.552 0.01 . 1 . . . . . 160 ARG CA . 50445 1 597 . 1 . 1 144 144 ARG CB C 13 28.178 0.00 . 1 . . . . . 160 ARG CB . 50445 1 598 . 1 . 1 144 144 ARG N N 15 121.199 0.04 . 1 . . . . . 160 ARG N . 50445 1 599 . 1 . 1 145 145 LEU H H 1 8.767 0.00 . 1 . . . . . 161 LEU HN . 50445 1 600 . 1 . 1 145 145 LEU C C 13 179.050 0.00 . 1 . . . . . 161 LEU C . 50445 1 601 . 1 . 1 145 145 LEU CA C 13 58.029 0.01 . 1 . . . . . 161 LEU CA . 50445 1 602 . 1 . 1 145 145 LEU N N 15 121.155 0.03 . 1 . . . . . 161 LEU N . 50445 1 603 . 1 . 1 146 146 THR H H 1 7.958 0.00 . 1 . . . . . 162 THR HN . 50445 1 604 . 1 . 1 146 146 THR C C 13 175.644 0.00 . 1 . . . . . 162 THR C . 50445 1 605 . 1 . 1 146 146 THR CA C 13 67.370 0.00 . 1 . . . . . 162 THR CA . 50445 1 606 . 1 . 1 146 146 THR N N 15 116.293 0.05 . 1 . . . . . 162 THR N . 50445 1 607 . 1 . 1 147 147 GLU H H 1 8.157 0.00 . 1 . . . . . 163 GLU HN . 50445 1 608 . 1 . 1 147 147 GLU C C 13 179.609 0.00 . 1 . . . . . 163 GLU C . 50445 1 609 . 1 . 1 147 147 GLU CA C 13 58.456 0.03 . 1 . . . . . 163 GLU CA . 50445 1 610 . 1 . 1 147 147 GLU CB C 13 28.284 0.00 . 1 . . . . . 163 GLU CB . 50445 1 611 . 1 . 1 147 147 GLU N N 15 118.514 0.05 . 1 . . . . . 163 GLU N . 50445 1 612 . 1 . 1 148 148 ARG H H 1 7.363 0.00 . 1 . . . . . 164 ARG HN . 50445 1 613 . 1 . 1 148 148 ARG C C 13 178.885 0.02 . 1 . . . . . 164 ARG C . 50445 1 614 . 1 . 1 148 148 ARG CA C 13 56.132 0.06 . 1 . . . . . 164 ARG CA . 50445 1 615 . 1 . 1 148 148 ARG CB C 13 27.013 0.00 . 1 . . . . . 164 ARG CB . 50445 1 616 . 1 . 1 148 148 ARG N N 15 119.433 0.04 . 1 . . . . . 164 ARG N . 50445 1 617 . 1 . 1 149 149 ALA H H 1 7.189 0.00 . 1 . . . . . 165 ALA HN . 50445 1 618 . 1 . 1 149 149 ALA C C 13 180.323 0.00 . 1 . . . . . 165 ALA C . 50445 1 619 . 1 . 1 149 149 ALA CA C 13 54.681 0.04 . 1 . . . . . 165 ALA CA . 50445 1 620 . 1 . 1 149 149 ALA CB C 13 17.713 0.00 . 1 . . . . . 165 ALA CB . 50445 1 621 . 1 . 1 149 149 ALA N N 15 123.544 0.03 . 1 . . . . . 165 ALA N . 50445 1 622 . 1 . 1 150 150 TYR H H 1 8.174 0.00 . 1 . . . . . 166 TYR HN . 50445 1 623 . 1 . 1 150 150 TYR C C 13 179.380 0.00 . 1 . . . . . 166 TYR C . 50445 1 624 . 1 . 1 150 150 TYR CA C 13 57.448 0.06 . 1 . . . . . 166 TYR CA . 50445 1 625 . 1 . 1 150 150 TYR CB C 13 35.421 0.12 . 1 . . . . . 166 TYR CB . 50445 1 626 . 1 . 1 150 150 TYR N N 15 117.553 0.06 . 1 . . . . . 166 TYR N . 50445 1 627 . 1 . 1 151 151 GLU H H 1 7.666 0.00 . 1 . . . . . 167 GLU HN . 50445 1 628 . 1 . 1 151 151 GLU C C 13 178.919 0.01 . 1 . . . . . 167 GLU C . 50445 1 629 . 1 . 1 151 151 GLU CA C 13 59.232 0.01 . 1 . . . . . 167 GLU CA . 50445 1 630 . 1 . 1 151 151 GLU CB C 13 28.238 0.00 . 1 . . . . . 167 GLU CB . 50445 1 631 . 1 . 1 151 151 GLU N N 15 118.045 0.10 . 1 . . . . . 167 GLU N . 50445 1 632 . 1 . 1 152 152 TYR H H 1 7.510 0.01 . 1 . . . . . 168 TYR HN . 50445 1 633 . 1 . 1 152 152 TYR C C 13 179.496 0.00 . 1 . . . . . 168 TYR C . 50445 1 634 . 1 . 1 152 152 TYR CA C 13 61.897 0.14 . 1 . . . . . 168 TYR CA . 50445 1 635 . 1 . 1 152 152 TYR N N 15 121.244 0.06 . 1 . . . . . 168 TYR N . 50445 1 636 . 1 . 1 153 153 MET H H 1 8.998 0.00 . 1 . . . . . 169 MET HN . 50445 1 637 . 1 . 1 153 153 MET C C 13 178.609 0.02 . 1 . . . . . 169 MET C . 50445 1 638 . 1 . 1 153 153 MET CA C 13 60.303 0.01 . 1 . . . . . 169 MET CA . 50445 1 639 . 1 . 1 153 153 MET N N 15 120.606 0.04 . 1 . . . . . 169 MET N . 50445 1 640 . 1 . 1 154 154 ARG H H 1 8.401 0.00 . 1 . . . . . 170 ARG HN . 50445 1 641 . 1 . 1 154 154 ARG C C 13 180.136 0.00 . 1 . . . . . 170 ARG C . 50445 1 642 . 1 . 1 154 154 ARG CA C 13 58.889 0.01 . 1 . . . . . 170 ARG CA . 50445 1 643 . 1 . 1 154 154 ARG CB C 13 28.915 0.00 . 1 . . . . . 170 ARG CB . 50445 1 644 . 1 . 1 154 154 ARG N N 15 118.244 0.02 . 1 . . . . . 170 ARG N . 50445 1 645 . 1 . 1 155 155 GLU H H 1 7.885 0.00 . 1 . . . . . 171 GLU HN . 50445 1 646 . 1 . 1 155 155 GLU C C 13 177.288 0.00 . 1 . . . . . 171 GLU C . 50445 1 647 . 1 . 1 155 155 GLU CA C 13 57.909 0.00 . 1 . . . . . 171 GLU CA . 50445 1 648 . 1 . 1 155 155 GLU CB C 13 29.041 0.00 . 1 . . . . . 171 GLU CB . 50445 1 649 . 1 . 1 155 155 GLU N N 15 117.986 0.09 . 1 . . . . . 171 GLU N . 50445 1 650 . 1 . 1 156 156 ASN H H 1 7.350 0.00 . 1 . . . . . 172 ASN HN . 50445 1 651 . 1 . 1 156 156 ASN C C 13 174.077 0.01 . 1 . . . . . 172 ASN C . 50445 1 652 . 1 . 1 156 156 ASN CA C 13 53.401 0.04 . 1 . . . . . 172 ASN CA . 50445 1 653 . 1 . 1 156 156 ASN CB C 13 39.636 0.06 . 1 . . . . . 172 ASN CB . 50445 1 654 . 1 . 1 156 156 ASN N N 15 113.562 0.03 . 1 . . . . . 172 ASN N . 50445 1 655 . 1 . 1 157 157 GLY H H 1 7.565 0.00 . 1 . . . . . 173 GLY HN . 50445 1 656 . 1 . 1 157 157 GLY C C 13 173.965 0.00 . 1 . . . . . 173 GLY C . 50445 1 657 . 1 . 1 157 157 GLY CA C 13 46.823 0.03 . 1 . . . . . 173 GLY CA . 50445 1 658 . 1 . 1 157 157 GLY N N 15 109.391 0.04 . 1 . . . . . 173 GLY N . 50445 1 659 . 1 . 1 158 158 ILE H H 1 8.452 0.00 . 1 . . . . . 174 ILE HN . 50445 1 660 . 1 . 1 158 158 ILE C C 13 174.575 0.00 . 1 . . . . . 174 ILE C . 50445 1 661 . 1 . 1 158 158 ILE CA C 13 61.023 0.02 . 1 . . . . . 174 ILE CA . 50445 1 662 . 1 . 1 158 158 ILE CB C 13 38.448 0.00 . 1 . . . . . 174 ILE CB . 50445 1 663 . 1 . 1 158 158 ILE N N 15 120.594 0.02 . 1 . . . . . 174 ILE N . 50445 1 664 . 1 . 1 159 159 ASN H H 1 9.488 0.00 . 1 . . . . . 175 ASN HN . 50445 1 665 . 1 . 1 159 159 ASN CA C 13 54.031 0.06 . 1 . . . . . 175 ASN CA . 50445 1 666 . 1 . 1 159 159 ASN N N 15 124.291 0.02 . 1 . . . . . 175 ASN N . 50445 1 667 . 1 . 1 160 160 VAL H H 1 7.901 0.00 . 1 . . . . . 176 VAL HN . 50445 1 668 . 1 . 1 160 160 VAL C C 13 171.651 0.00 . 1 . . . . . 176 VAL C . 50445 1 669 . 1 . 1 160 160 VAL CA C 13 61.344 0.01 . 1 . . . . . 176 VAL CA . 50445 1 670 . 1 . 1 160 160 VAL CB C 13 33.225 0.00 . 1 . . . . . 176 VAL CB . 50445 1 671 . 1 . 1 160 160 VAL N N 15 119.945 0.05 . 1 . . . . . 176 VAL N . 50445 1 672 . 1 . 1 161 161 TYR H H 1 8.937 0.00 . 1 . . . . . 177 TYR HN . 50445 1 673 . 1 . 1 161 161 TYR C C 13 174.392 0.00 . 1 . . . . . 177 TYR C . 50445 1 674 . 1 . 1 161 161 TYR CA C 13 52.754 0.02 . 1 . . . . . 177 TYR CA . 50445 1 675 . 1 . 1 161 161 TYR CB C 13 40.169 0.00 . 1 . . . . . 177 TYR CB . 50445 1 676 . 1 . 1 161 161 TYR N N 15 131.768 0.05 . 1 . . . . . 177 TYR N . 50445 1 677 . 1 . 1 162 162 HIS H H 1 10.117 0.00 . 1 . . . . . 178 HIS HN . 50445 1 678 . 1 . 1 162 162 HIS C C 13 173.583 0.02 . 1 . . . . . 178 HIS C . 50445 1 679 . 1 . 1 162 162 HIS CA C 13 55.116 0.01 . 1 . . . . . 178 HIS CA . 50445 1 680 . 1 . 1 162 162 HIS CB C 13 32.082 0.00 . 1 . . . . . 178 HIS CB . 50445 1 681 . 1 . 1 162 162 HIS N N 15 127.823 0.04 . 1 . . . . . 178 HIS N . 50445 1 682 . 1 . 1 163 163 VAL H H 1 9.206 0.00 . 1 . . . . . 179 VAL HN . 50445 1 683 . 1 . 1 163 163 VAL C C 13 173.944 0.02 . 1 . . . . . 179 VAL C . 50445 1 684 . 1 . 1 163 163 VAL CA C 13 61.023 0.01 . 1 . . . . . 179 VAL CA . 50445 1 685 . 1 . 1 163 163 VAL CB C 13 35.361 0.05 . 1 . . . . . 179 VAL CB . 50445 1 686 . 1 . 1 163 163 VAL N N 15 126.140 0.03 . 1 . . . . . 179 VAL N . 50445 1 687 . 1 . 1 164 164 LEU H H 1 9.354 0.00 . 1 . . . . . 180 LEU HN . 50445 1 688 . 1 . 1 164 164 LEU C C 13 176.563 0.00 . 1 . . . . . 180 LEU C . 50445 1 689 . 1 . 1 164 164 LEU CA C 13 56.319 0.03 . 1 . . . . . 180 LEU CA . 50445 1 690 . 1 . 1 164 164 LEU CB C 13 40.828 0.00 . 1 . . . . . 180 LEU CB . 50445 1 691 . 1 . 1 164 164 LEU N N 15 131.680 0.08 . 1 . . . . . 180 LEU N . 50445 1 692 . 1 . 1 165 165 CYS H H 1 9.111 0.00 . 1 . . . . . 181 CYS HN . 50445 1 693 . 1 . 1 165 165 CYS C C 13 173.727 0.01 . 1 . . . . . 181 CYS C . 50445 1 694 . 1 . 1 165 165 CYS CA C 13 58.385 0.02 . 1 . . . . . 181 CYS CA . 50445 1 695 . 1 . 1 165 165 CYS CB C 13 29.492 0.00 . 1 . . . . . 181 CYS CB . 50445 1 696 . 1 . 1 165 165 CYS N N 15 125.221 0.08 . 1 . . . . . 181 CYS N . 50445 1 697 . 1 . 1 166 166 SER H H 1 9.156 0.00 . 1 . . . . . 182 SER HN . 50445 1 698 . 1 . 1 166 166 SER C C 13 172.326 0.00 . 1 . . . . . 182 SER C . 50445 1 699 . 1 . 1 166 166 SER CA C 13 57.794 0.03 . 1 . . . . . 182 SER CA . 50445 1 700 . 1 . 1 166 166 SER N N 15 118.386 0.05 . 1 . . . . . 182 SER N . 50445 1 701 . 1 . 1 167 167 SER H H 1 7.391 0.00 . 1 . . . . . 183 SER HN . 50445 1 702 . 1 . 1 167 167 SER CA C 13 54.107 0.00 . 1 . . . . . 183 SER CA . 50445 1 703 . 1 . 1 167 167 SER CB C 13 65.033 0.00 . 1 . . . . . 183 SER CB . 50445 1 704 . 1 . 1 167 167 SER N N 15 112.806 0.03 . 1 . . . . . 183 SER N . 50445 1 705 . 1 . 1 168 168 HIS C C 13 177.205 0.00 . 1 . . . . . 184 HIS C . 50445 1 706 . 1 . 1 168 168 HIS CA C 13 59.737 0.00 . 1 . . . . . 184 HIS CA . 50445 1 707 . 1 . 1 169 169 TYR H H 1 7.438 0.00 . 1 . . . . . 185 TYR HN . 50445 1 708 . 1 . 1 169 169 TYR C C 13 179.295 0.00 . 1 . . . . . 185 TYR C . 50445 1 709 . 1 . 1 169 169 TYR CA C 13 59.849 0.04 . 1 . . . . . 185 TYR CA . 50445 1 710 . 1 . 1 169 169 TYR N N 15 114.084 0.04 . 1 . . . . . 185 TYR N . 50445 1 711 . 1 . 1 170 170 SER H H 1 7.617 0.01 . 1 . . . . . 186 SER HN . 50445 1 712 . 1 . 1 170 170 SER C C 13 175.895 0.00 . 1 . . . . . 186 SER C . 50445 1 713 . 1 . 1 170 170 SER CA C 13 61.128 0.01 . 1 . . . . . 186 SER CA . 50445 1 714 . 1 . 1 170 170 SER N N 15 116.153 0.11 . 1 . . . . . 186 SER N . 50445 1 715 . 1 . 1 171 171 ALA H H 1 7.817 0.00 . 1 . . . . . 187 ALA HN . 50445 1 716 . 1 . 1 171 171 ALA C C 13 179.590 0.00 . 1 . . . . . 187 ALA C . 50445 1 717 . 1 . 1 171 171 ALA CA C 13 55.860 0.02 . 1 . . . . . 187 ALA CA . 50445 1 718 . 1 . 1 171 171 ALA CB C 13 17.059 0.00 . 1 . . . . . 187 ALA CB . 50445 1 719 . 1 . 1 171 171 ALA N N 15 124.234 0.04 . 1 . . . . . 187 ALA N . 50445 1 720 . 1 . 1 172 172 ARG H H 1 7.700 0.00 . 1 . . . . . 188 ARG HN . 50445 1 721 . 1 . 1 172 172 ARG C C 13 179.767 0.01 . 1 . . . . . 188 ARG C . 50445 1 722 . 1 . 1 172 172 ARG CA C 13 58.068 0.05 . 1 . . . . . 188 ARG CA . 50445 1 723 . 1 . 1 172 172 ARG CB C 13 28.676 0.03 . 1 . . . . . 188 ARG CB . 50445 1 724 . 1 . 1 172 172 ARG N N 15 116.263 0.07 . 1 . . . . . 188 ARG N . 50445 1 725 . 1 . 1 173 173 VAL H H 1 7.574 0.01 . 1 . . . . . 189 VAL HN . 50445 1 726 . 1 . 1 173 173 VAL C C 13 178.209 0.02 . 1 . . . . . 189 VAL C . 50445 1 727 . 1 . 1 173 173 VAL CA C 13 66.332 0.07 . 1 . . . . . 189 VAL CA . 50445 1 728 . 1 . 1 173 173 VAL CB C 13 30.491 0.05 . 1 . . . . . 189 VAL CB . 50445 1 729 . 1 . 1 173 173 VAL N N 15 121.159 0.07 . 1 . . . . . 189 VAL N . 50445 1 730 . 1 . 1 174 174 MET H H 1 7.775 0.01 . 1 . . . . . 190 MET HN . 50445 1 731 . 1 . 1 174 174 MET C C 13 180.064 0.02 . 1 . . . . . 190 MET C . 50445 1 732 . 1 . 1 174 174 MET CA C 13 56.057 0.02 . 1 . . . . . 190 MET CA . 50445 1 733 . 1 . 1 174 174 MET CB C 13 26.963 0.00 . 1 . . . . . 190 MET CB . 50445 1 734 . 1 . 1 174 174 MET N N 15 115.689 0.09 . 1 . . . . . 190 MET N . 50445 1 735 . 1 . 1 175 175 GLU H H 1 8.546 0.01 . 1 . . . . . 191 GLU HN . 50445 1 736 . 1 . 1 175 175 GLU C C 13 181.509 0.00 . 1 . . . . . 191 GLU C . 50445 1 737 . 1 . 1 175 175 GLU CA C 13 59.087 0.04 . 1 . . . . . 191 GLU CA . 50445 1 738 . 1 . 1 175 175 GLU N N 15 122.386 0.05 . 1 . . . . . 191 GLU N . 50445 1 739 . 1 . 1 176 176 LYS H H 1 8.031 0.00 . 1 . . . . . 192 LYS HN . 50445 1 740 . 1 . 1 176 176 LYS C C 13 178.870 0.00 . 1 . . . . . 192 LYS C . 50445 1 741 . 1 . 1 176 176 LYS CA C 13 58.693 0.05 . 1 . . . . . 192 LYS CA . 50445 1 742 . 1 . 1 176 176 LYS CB C 13 30.632 0.05 . 1 . . . . . 192 LYS CB . 50445 1 743 . 1 . 1 176 176 LYS N N 15 121.834 0.08 . 1 . . . . . 192 LYS N . 50445 1 744 . 1 . 1 177 177 LEU H H 1 7.703 0.01 . 1 . . . . . 193 LEU HN . 50445 1 745 . 1 . 1 177 177 LEU C C 13 176.881 0.00 . 1 . . . . . 193 LEU C . 50445 1 746 . 1 . 1 177 177 LEU CA C 13 55.037 0.02 . 1 . . . . . 193 LEU CA . 50445 1 747 . 1 . 1 177 177 LEU CB C 13 41.150 0.00 . 1 . . . . . 193 LEU CB . 50445 1 748 . 1 . 1 177 177 LEU N N 15 118.705 0.05 . 1 . . . . . 193 LEU N . 50445 1 749 . 1 . 1 178 178 GLY H H 1 8.100 0.00 . 1 . . . . . 194 GLY HN . 50445 1 750 . 1 . 1 178 178 GLY CA C 13 44.975 0.00 . 1 . . . . . 194 GLY CA . 50445 1 751 . 1 . 1 178 178 GLY N N 15 105.838 0.08 . 1 . . . . . 194 GLY N . 50445 1 752 . 1 . 1 179 179 PHE C C 13 174.855 0.00 . 1 . . . . . 195 PHE C . 50445 1 753 . 1 . 1 179 179 PHE CA C 13 57.418 0.03 . 1 . . . . . 195 PHE CA . 50445 1 754 . 1 . 1 180 180 HIS H H 1 9.289 0.00 . 1 . . . . . 196 HIS HN . 50445 1 755 . 1 . 1 180 180 HIS C C 13 173.579 0.03 . 1 . . . . . 196 HIS C . 50445 1 756 . 1 . 1 180 180 HIS CA C 13 53.623 0.03 . 1 . . . . . 196 HIS CA . 50445 1 757 . 1 . 1 180 180 HIS CB C 13 31.700 0.02 . 1 . . . . . 196 HIS CB . 50445 1 758 . 1 . 1 180 180 HIS N N 15 115.292 0.09 . 1 . . . . . 196 HIS N . 50445 1 759 . 1 . 1 181 181 GLU H H 1 9.064 0.00 . 1 . . . . . 197 GLU HN . 50445 1 760 . 1 . 1 181 181 GLU C C 13 177.694 0.00 . 1 . . . . . 197 GLU C . 50445 1 761 . 1 . 1 181 181 GLU CA C 13 57.050 0.01 . 1 . . . . . 197 GLU CA . 50445 1 762 . 1 . 1 181 181 GLU CB C 13 34.868 0.00 . 1 . . . . . 197 GLU CB . 50445 1 763 . 1 . 1 181 181 GLU N N 15 124.196 0.06 . 1 . . . . . 197 GLU N . 50445 1 764 . 1 . 1 182 182 VAL H H 1 9.271 0.00 . 1 . . . . . 198 VAL HN . 50445 1 765 . 1 . 1 182 182 VAL C C 13 174.625 0.02 . 1 . . . . . 198 VAL C . 50445 1 766 . 1 . 1 182 182 VAL CA C 13 60.599 0.05 . 1 . . . . . 198 VAL CA . 50445 1 767 . 1 . 1 182 182 VAL N N 15 118.677 0.05 . 1 . . . . . 198 VAL N . 50445 1 768 . 1 . 1 183 183 PHE H H 1 7.379 0.00 . 1 . . . . . 199 PHE HN . 50445 1 769 . 1 . 1 183 183 PHE C C 13 171.896 0.00 . 1 . . . . . 199 PHE C . 50445 1 770 . 1 . 1 183 183 PHE CA C 13 58.092 0.02 . 1 . . . . . 199 PHE CA . 50445 1 771 . 1 . 1 183 183 PHE CB C 13 40.352 0.05 . 1 . . . . . 199 PHE CB . 50445 1 772 . 1 . 1 183 183 PHE N N 15 120.082 0.04 . 1 . . . . . 199 PHE N . 50445 1 773 . 1 . 1 184 184 ARG H H 1 6.951 0.00 . 1 . . . . . 200 ARG HN . 50445 1 774 . 1 . 1 184 184 ARG C C 13 172.668 0.01 . 1 . . . . . 200 ARG C . 50445 1 775 . 1 . 1 184 184 ARG CA C 13 53.837 0.01 . 1 . . . . . 200 ARG CA . 50445 1 776 . 1 . 1 184 184 ARG CB C 13 32.423 0.01 . 1 . . . . . 200 ARG CB . 50445 1 777 . 1 . 1 184 184 ARG N N 15 124.431 0.07 . 1 . . . . . 200 ARG N . 50445 1 778 . 1 . 1 185 185 MET H H 1 8.108 0.00 . 1 . . . . . 201 MET HN . 50445 1 779 . 1 . 1 185 185 MET C C 13 174.627 0.04 . 1 . . . . . 201 MET C . 50445 1 780 . 1 . 1 185 185 MET CA C 13 53.659 0.02 . 1 . . . . . 201 MET CA . 50445 1 781 . 1 . 1 185 185 MET CB C 13 35.228 0.03 . 1 . . . . . 201 MET CB . 50445 1 782 . 1 . 1 185 185 MET N N 15 120.262 0.05 . 1 . . . . . 201 MET N . 50445 1 783 . 1 . 1 186 186 GLN H H 1 9.420 0.00 . 1 . . . . . 202 GLN HN . 50445 1 784 . 1 . 1 186 186 GLN C C 13 178.276 0.01 . 1 . . . . . 202 GLN C . 50445 1 785 . 1 . 1 186 186 GLN CA C 13 55.355 0.05 . 1 . . . . . 202 GLN CA . 50445 1 786 . 1 . 1 186 186 GLN CB C 13 27.822 0.00 . 1 . . . . . 202 GLN CB . 50445 1 787 . 1 . 1 186 186 GLN N N 15 125.841 0.04 . 1 . . . . . 202 GLN N . 50445 1 788 . 1 . 1 187 187 PHE H H 1 8.740 0.01 . 1 . . . . . 203 PHE HN . 50445 1 789 . 1 . 1 187 187 PHE C C 13 178.935 0.00 . 1 . . . . . 203 PHE C . 50445 1 790 . 1 . 1 187 187 PHE CA C 13 60.746 0.03 . 1 . . . . . 203 PHE CA . 50445 1 791 . 1 . 1 187 187 PHE CB C 13 36.421 0.00 . 1 . . . . . 203 PHE CB . 50445 1 792 . 1 . 1 187 187 PHE N N 15 123.615 0.05 . 1 . . . . . 203 PHE N . 50445 1 793 . 1 . 1 188 188 ALA H H 1 8.704 0.00 . 1 . . . . . 204 ALA HN . 50445 1 794 . 1 . 1 188 188 ALA C C 13 176.927 0.02 . 1 . . . . . 204 ALA C . 50445 1 795 . 1 . 1 188 188 ALA CA C 13 53.813 0.01 . 1 . . . . . 204 ALA CA . 50445 1 796 . 1 . 1 188 188 ALA CB C 13 17.788 0.00 . 1 . . . . . 204 ALA CB . 50445 1 797 . 1 . 1 188 188 ALA N N 15 119.173 0.04 . 1 . . . . . 204 ALA N . 50445 1 798 . 1 . 1 189 189 ASP H H 1 7.326 0.00 . 1 . . . . . 205 ASP HN . 50445 1 799 . 1 . 1 189 189 ASP C C 13 175.798 0.04 . 1 . . . . . 205 ASP C . 50445 1 800 . 1 . 1 189 189 ASP CA C 13 53.746 0.05 . 1 . . . . . 205 ASP CA . 50445 1 801 . 1 . 1 189 189 ASP CB C 13 41.356 0.00 . 1 . . . . . 205 ASP CB . 50445 1 802 . 1 . 1 189 189 ASP N N 15 112.184 0.07 . 1 . . . . . 205 ASP N . 50445 1 803 . 1 . 1 190 190 TYR H H 1 7.706 0.01 . 1 . . . . . 206 TYR HN . 50445 1 804 . 1 . 1 190 190 TYR C C 13 173.170 0.01 . 1 . . . . . 206 TYR C . 50445 1 805 . 1 . 1 190 190 TYR CA C 13 56.988 0.03 . 1 . . . . . 206 TYR CA . 50445 1 806 . 1 . 1 190 190 TYR CB C 13 35.668 0.06 . 1 . . . . . 206 TYR CB . 50445 1 807 . 1 . 1 190 190 TYR N N 15 123.353 0.03 . 1 . . . . . 206 TYR N . 50445 1 808 . 1 . 1 191 191 LYS H H 1 8.456 0.00 . 1 . . . . . 207 LYS HN . 50445 1 809 . 1 . 1 191 191 LYS C C 13 174.461 0.00 . 1 . . . . . 207 LYS C . 50445 1 810 . 1 . 1 191 191 LYS CB C 13 32.247 0.00 . 1 . . . . . 207 LYS CB . 50445 1 811 . 1 . 1 191 191 LYS N N 15 125.835 0.02 . 1 . . . . . 207 LYS N . 50445 1 812 . 1 . 1 195 195 GLU C C 13 175.756 0.00 . 1 . . . . . 211 GLU C . 50445 1 813 . 1 . 1 196 196 VAL H H 1 8.856 0.00 . 1 . . . . . 212 VAL HN . 50445 1 814 . 1 . 1 196 196 VAL C C 13 175.991 0.00 . 1 . . . . . 212 VAL C . 50445 1 815 . 1 . 1 196 196 VAL CA C 13 63.972 0.00 . 1 . . . . . 212 VAL CA . 50445 1 816 . 1 . 1 196 196 VAL N N 15 124.389 0.07 . 1 . . . . . 212 VAL N . 50445 1 817 . 1 . 1 197 197 VAL H H 1 7.507 0.00 . 1 . . . . . 213 VAL HN . 50445 1 818 . 1 . 1 197 197 VAL C C 13 175.052 0.00 . 1 . . . . . 213 VAL C . 50445 1 819 . 1 . 1 197 197 VAL CA C 13 63.702 0.09 . 1 . . . . . 213 VAL CA . 50445 1 820 . 1 . 1 197 197 VAL N N 15 127.252 0.05 . 1 . . . . . 213 VAL N . 50445 1 821 . 1 . 1 198 198 PHE H H 1 8.948 0.00 . 1 . . . . . 214 PHE HN . 50445 1 822 . 1 . 1 198 198 PHE C C 13 175.618 0.00 . 1 . . . . . 214 PHE C . 50445 1 823 . 1 . 1 198 198 PHE CA C 13 56.396 0.04 . 1 . . . . . 214 PHE CA . 50445 1 824 . 1 . 1 198 198 PHE N N 15 116.421 0.04 . 1 . . . . . 214 PHE N . 50445 1 825 . 1 . 1 199 199 LYS H H 1 7.800 0.00 . 1 . . . . . 215 LYS HN . 50445 1 826 . 1 . 1 199 199 LYS C C 13 181.128 0.00 . 1 . . . . . 215 LYS C . 50445 1 827 . 1 . 1 199 199 LYS CA C 13 63.284 0.00 . 1 . . . . . 215 LYS CA . 50445 1 828 . 1 . 1 199 199 LYS CB C 13 32.304 0.00 . 1 . . . . . 215 LYS CB . 50445 1 829 . 1 . 1 199 199 LYS N N 15 124.938 0.03 . 1 . . . . . 215 LYS N . 50445 1 830 . 1 . 1 200 200 PRO C C 13 175.040 0.01 . 1 . . . . . 216 PRO C . 50445 1 831 . 1 . 1 200 200 PRO CA C 13 62.374 0.03 . 1 . . . . . 216 PRO CA . 50445 1 832 . 1 . 1 200 200 PRO CB C 13 31.696 0.00 . 1 . . . . . 216 PRO CB . 50445 1 833 . 1 . 1 201 201 ALA H H 1 8.358 0.00 . 1 . . . . . 217 ALA HN . 50445 1 834 . 1 . 1 201 201 ALA C C 13 176.760 0.02 . 1 . . . . . 217 ALA C . 50445 1 835 . 1 . 1 201 201 ALA CA C 13 51.611 0.01 . 1 . . . . . 217 ALA CA . 50445 1 836 . 1 . 1 201 201 ALA CB C 13 18.761 0.01 . 1 . . . . . 217 ALA CB . 50445 1 837 . 1 . 1 201 201 ALA N N 15 123.039 0.05 . 1 . . . . . 217 ALA N . 50445 1 838 . 1 . 1 202 202 ALA H H 1 8.253 0.00 . 1 . . . . . 218 ALA HN . 50445 1 839 . 1 . 1 202 202 ALA C C 13 176.308 0.00 . 1 . . . . . 218 ALA C . 50445 1 840 . 1 . 1 202 202 ALA CA C 13 51.047 0.00 . 1 . . . . . 218 ALA CA . 50445 1 841 . 1 . 1 202 202 ALA CB C 13 16.105 0.00 . 1 . . . . . 218 ALA CB . 50445 1 842 . 1 . 1 202 202 ALA N N 15 121.964 0.05 . 1 . . . . . 218 ALA N . 50445 1 843 . 1 . 1 203 203 PRO C C 13 174.478 0.00 . 1 . . . . . 219 PRO C . 50445 1 844 . 1 . 1 203 203 PRO CA C 13 62.853 0.00 . 1 . . . . . 219 PRO CA . 50445 1 845 . 1 . 1 204 204 HIS H H 1 8.244 0.00 . 1 . . . . . 220 HIS HN . 50445 1 846 . 1 . 1 204 204 HIS C C 13 175.833 0.02 . 1 . . . . . 220 HIS C . 50445 1 847 . 1 . 1 204 204 HIS CA C 13 56.445 0.05 . 1 . . . . . 220 HIS CA . 50445 1 848 . 1 . 1 204 204 HIS N N 15 125.418 0.10 . 1 . . . . . 220 HIS N . 50445 1 849 . 1 . 1 205 205 VAL H H 1 8.759 0.00 . 1 . . . . . 221 VAL HN . 50445 1 850 . 1 . 1 205 205 VAL C C 13 176.657 0.00 . 1 . . . . . 221 VAL C . 50445 1 851 . 1 . 1 205 205 VAL CA C 13 62.069 0.10 . 1 . . . . . 221 VAL CA . 50445 1 852 . 1 . 1 205 205 VAL CB C 13 33.234 0.00 . 1 . . . . . 221 VAL CB . 50445 1 853 . 1 . 1 205 205 VAL N N 15 119.423 0.06 . 1 . . . . . 221 VAL N . 50445 1 854 . 1 . 1 206 206 GLY H H 1 7.805 0.00 . 1 . . . . . 222 GLY HN . 50445 1 855 . 1 . 1 206 206 GLY C C 13 171.043 0.02 . 1 . . . . . 222 GLY C . 50445 1 856 . 1 . 1 206 206 GLY CA C 13 45.062 0.03 . 1 . . . . . 222 GLY CA . 50445 1 857 . 1 . 1 206 206 GLY N N 15 112.342 0.05 . 1 . . . . . 222 GLY N . 50445 1 858 . 1 . 1 207 207 ILE H H 1 7.945 0.00 . 1 . . . . . 223 ILE HN . 50445 1 859 . 1 . 1 207 207 ILE C C 13 175.989 0.00 . 1 . . . . . 223 ILE C . 50445 1 860 . 1 . 1 207 207 ILE CA C 13 57.278 0.02 . 1 . . . . . 223 ILE CA . 50445 1 861 . 1 . 1 207 207 ILE CB C 13 37.710 0.00 . 1 . . . . . 223 ILE CB . 50445 1 862 . 1 . 1 207 207 ILE N N 15 117.254 0.04 . 1 . . . . . 223 ILE N . 50445 1 863 . 1 . 1 208 208 GLN H H 1 8.440 0.00 . 1 . . . . . 224 GLN HN . 50445 1 864 . 1 . 1 208 208 GLN C C 13 174.321 0.01 . 1 . . . . . 224 GLN C . 50445 1 865 . 1 . 1 208 208 GLN CA C 13 54.472 0.02 . 1 . . . . . 224 GLN CA . 50445 1 866 . 1 . 1 208 208 GLN CB C 13 32.992 0.00 . 1 . . . . . 224 GLN CB . 50445 1 867 . 1 . 1 208 208 GLN N N 15 123.910 0.04 . 1 . . . . . 224 GLN N . 50445 1 868 . 1 . 1 209 209 VAL H H 1 9.174 0.00 . 1 . . . . . 225 VAL HN . 50445 1 869 . 1 . 1 209 209 VAL C C 13 174.293 0.00 . 1 . . . . . 225 VAL C . 50445 1 870 . 1 . 1 209 209 VAL CA C 13 62.212 0.02 . 1 . . . . . 225 VAL CA . 50445 1 871 . 1 . 1 209 209 VAL CB C 13 30.660 0.02 . 1 . . . . . 225 VAL CB . 50445 1 872 . 1 . 1 209 209 VAL N N 15 124.885 0.06 . 1 . . . . . 225 VAL N . 50445 1 873 . 1 . 1 210 210 MET H H 1 8.998 0.00 . 1 . . . . . 226 MET HN . 50445 1 874 . 1 . 1 210 210 MET C C 13 174.618 0.03 . 1 . . . . . 226 MET C . 50445 1 875 . 1 . 1 210 210 MET CA C 13 51.530 0.03 . 1 . . . . . 226 MET CA . 50445 1 876 . 1 . 1 210 210 MET CB C 13 31.999 0.01 . 1 . . . . . 226 MET CB . 50445 1 877 . 1 . 1 210 210 MET N N 15 126.853 0.05 . 1 . . . . . 226 MET N . 50445 1 878 . 1 . 1 211 211 ALA H H 1 9.373 0.00 . 1 . . . . . 227 ALA HN . 50445 1 879 . 1 . 1 211 211 ALA C C 13 175.509 0.02 . 1 . . . . . 227 ALA C . 50445 1 880 . 1 . 1 211 211 ALA CA C 13 50.279 0.02 . 1 . . . . . 227 ALA CA . 50445 1 881 . 1 . 1 211 211 ALA CB C 13 22.737 0.00 . 1 . . . . . 227 ALA CB . 50445 1 882 . 1 . 1 211 211 ALA N N 15 121.843 0.04 . 1 . . . . . 227 ALA N . 50445 1 883 . 1 . 1 212 212 LYS H H 1 8.539 0.00 . 1 . . . . . 228 LYS HN . 50445 1 884 . 1 . 1 212 212 LYS C C 13 174.119 0.01 . 1 . . . . . 228 LYS C . 50445 1 885 . 1 . 1 212 212 LYS CA C 13 55.019 0.02 . 1 . . . . . 228 LYS CA . 50445 1 886 . 1 . 1 212 212 LYS CB C 13 34.486 0.01 . 1 . . . . . 228 LYS CB . 50445 1 887 . 1 . 1 212 212 LYS N N 15 119.694 0.04 . 1 . . . . . 228 LYS N . 50445 1 888 . 1 . 1 213 213 GLU H H 1 8.461 0.00 . 1 . . . . . 229 GLU HN . 50445 1 889 . 1 . 1 213 213 GLU C C 13 176.044 0.03 . 1 . . . . . 229 GLU C . 50445 1 890 . 1 . 1 213 213 GLU CA C 13 54.468 0.04 . 1 . . . . . 229 GLU CA . 50445 1 891 . 1 . 1 213 213 GLU CB C 13 29.012 0.02 . 1 . . . . . 229 GLU CB . 50445 1 892 . 1 . 1 213 213 GLU N N 15 125.154 0.05 . 1 . . . . . 229 GLU N . 50445 1 893 . 1 . 1 214 214 VAL H H 1 8.259 0.00 . 1 . . . . . 230 VAL HN . 50445 1 894 . 1 . 1 214 214 VAL C C 13 180.922 0.00 . 1 . . . . . 230 VAL C . 50445 1 895 . 1 . 1 214 214 VAL CA C 13 63.404 0.00 . 1 . . . . . 230 VAL CA . 50445 1 896 . 1 . 1 214 214 VAL CB C 13 32.119 0.00 . 1 . . . . . 230 VAL CB . 50445 1 897 . 1 . 1 214 214 VAL N N 15 127.567 0.04 . 1 . . . . . 230 VAL N . 50445 1 stop_ save_