data_52303 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52303 _Entry.Title ; ZBP1 Tandem Zalpha Domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-02-02 _Entry.Accession_date 2024-02-02 _Entry.Last_release_date 2024-02-05 _Entry.Original_release_date 2024-02-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Lily Beck . G. . 0000-0001-5181-1856 52303 2 Jeffrey Krall . B. . 0000-0001-9179-0623 52303 3 Parker Nichols . J. . . 52303 4 Morkos Henen . A. . . 52303 5 Quentin Vicens . . . . 52303 6 Beat Vogeli . . . . 52303 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52303 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 569 52303 '15N chemical shifts' 197 52303 '1H chemical shifts' 184 52303 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 . . 2024-09-03 . original BMRB . 52303 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52303 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39215796 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR backbone assignment of the N-terminal tandem Za1-Za2 domains of Z-DNA binding protein 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2024 _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 Lily Beck . G. . . 52303 1 2 Jeffrey Krall . B. . . 52303 1 3 Parker Nichols . J. . . 52303 1 4 Morkos Henen . A. . . 52303 1 5 Quentin Vicens . . . . 52303 1 6 Beat Vogeli . . . . 52303 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52303 _Assembly.ID 1 _Assembly.Name ZBP1_Tandem _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 ZBP1_Tandem 1 $entity_1 . . yes native no no . . . 52303 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52303 _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 ; MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSMAQAPA DPGREGHLEQRILQVLTEAG SPVKLAQLVKECQAPKRELN QVLYRMKKELKVSLTSPATW CLGGTDPEGEGPAELALSSP AERPQQHAATIPETPGPQFS QQREEDIYRFLKDNGPQRAL VIAQALGMRTAKDVNRDLYR MKSRHLLDMDEQSKAWTIYR KLAAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 213 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 -33 MET . 52303 1 2 -32 GLY . 52303 1 3 -31 SER . 52303 1 4 -30 SER . 52303 1 5 -29 HIS . 52303 1 6 -28 HIS . 52303 1 7 -27 HIS . 52303 1 8 -26 HIS . 52303 1 9 -25 HIS . 52303 1 10 -24 HIS . 52303 1 11 -23 SER . 52303 1 12 -22 SER . 52303 1 13 -21 GLY . 52303 1 14 -20 LEU . 52303 1 15 -19 VAL . 52303 1 16 -18 PRO . 52303 1 17 -17 ARG . 52303 1 18 -16 GLY . 52303 1 19 -15 SER . 52303 1 20 -14 HIS . 52303 1 21 -13 MET . 52303 1 22 -12 ALA . 52303 1 23 -11 SER . 52303 1 24 -10 MET . 52303 1 25 -9 THR . 52303 1 26 -8 GLY . 52303 1 27 -7 GLY . 52303 1 28 -6 GLN . 52303 1 29 -5 GLN . 52303 1 30 -4 MET . 52303 1 31 -3 GLY . 52303 1 32 -2 ARG . 52303 1 33 -1 GLY . 52303 1 34 0 SER . 52303 1 35 1 MET . 52303 1 36 2 ALA . 52303 1 37 3 GLN . 52303 1 38 4 ALA . 52303 1 39 5 PRO . 52303 1 40 6 ALA . 52303 1 41 7 ASP . 52303 1 42 8 PRO . 52303 1 43 9 GLY . 52303 1 44 10 ARG . 52303 1 45 11 GLU . 52303 1 46 12 GLY . 52303 1 47 13 HIS . 52303 1 48 14 LEU . 52303 1 49 15 GLU . 52303 1 50 16 GLN . 52303 1 51 17 ARG . 52303 1 52 18 ILE . 52303 1 53 19 LEU . 52303 1 54 20 GLN . 52303 1 55 21 VAL . 52303 1 56 22 LEU . 52303 1 57 23 THR . 52303 1 58 24 GLU . 52303 1 59 25 ALA . 52303 1 60 26 GLY . 52303 1 61 27 SER . 52303 1 62 28 PRO . 52303 1 63 29 VAL . 52303 1 64 30 LYS . 52303 1 65 31 LEU . 52303 1 66 32 ALA . 52303 1 67 33 GLN . 52303 1 68 34 LEU . 52303 1 69 35 VAL . 52303 1 70 36 LYS . 52303 1 71 37 GLU . 52303 1 72 38 CYS . 52303 1 73 39 GLN . 52303 1 74 40 ALA . 52303 1 75 41 PRO . 52303 1 76 42 LYS . 52303 1 77 43 ARG . 52303 1 78 44 GLU . 52303 1 79 45 LEU . 52303 1 80 46 ASN . 52303 1 81 47 GLN . 52303 1 82 48 VAL . 52303 1 83 49 LEU . 52303 1 84 50 TYR . 52303 1 85 51 ARG . 52303 1 86 52 MET . 52303 1 87 53 LYS . 52303 1 88 54 LYS . 52303 1 89 55 GLU . 52303 1 90 56 LEU . 52303 1 91 57 LYS . 52303 1 92 58 VAL . 52303 1 93 59 SER . 52303 1 94 60 LEU . 52303 1 95 61 THR . 52303 1 96 62 SER . 52303 1 97 63 PRO . 52303 1 98 64 ALA . 52303 1 99 65 THR . 52303 1 100 66 TRP . 52303 1 101 67 CYS . 52303 1 102 68 LEU . 52303 1 103 69 GLY . 52303 1 104 70 GLY . 52303 1 105 71 THR . 52303 1 106 72 ASP . 52303 1 107 73 PRO . 52303 1 108 74 GLU . 52303 1 109 75 GLY . 52303 1 110 76 GLU . 52303 1 111 77 GLY . 52303 1 112 78 PRO . 52303 1 113 79 ALA . 52303 1 114 80 GLU . 52303 1 115 81 LEU . 52303 1 116 82 ALA . 52303 1 117 83 LEU . 52303 1 118 84 SER . 52303 1 119 85 SER . 52303 1 120 86 PRO . 52303 1 121 87 ALA . 52303 1 122 88 GLU . 52303 1 123 89 ARG . 52303 1 124 90 PRO . 52303 1 125 91 GLN . 52303 1 126 92 GLN . 52303 1 127 93 HIS . 52303 1 128 94 ALA . 52303 1 129 95 ALA . 52303 1 130 96 THR . 52303 1 131 97 ILE . 52303 1 132 98 PRO . 52303 1 133 99 GLU . 52303 1 134 100 THR . 52303 1 135 101 PRO . 52303 1 136 102 GLY . 52303 1 137 103 PRO . 52303 1 138 104 GLN . 52303 1 139 105 PHE . 52303 1 140 106 SER . 52303 1 141 107 GLN . 52303 1 142 108 GLN . 52303 1 143 109 ARG . 52303 1 144 110 GLU . 52303 1 145 111 GLU . 52303 1 146 112 ASP . 52303 1 147 113 ILE . 52303 1 148 114 TYR . 52303 1 149 115 ARG . 52303 1 150 116 PHE . 52303 1 151 117 LEU . 52303 1 152 118 LYS . 52303 1 153 119 ASP . 52303 1 154 120 ASN . 52303 1 155 121 GLY . 52303 1 156 122 PRO . 52303 1 157 123 GLN . 52303 1 158 124 ARG . 52303 1 159 125 ALA . 52303 1 160 126 LEU . 52303 1 161 127 VAL . 52303 1 162 128 ILE . 52303 1 163 129 ALA . 52303 1 164 130 GLN . 52303 1 165 131 ALA . 52303 1 166 132 LEU . 52303 1 167 133 GLY . 52303 1 168 134 MET . 52303 1 169 135 ARG . 52303 1 170 136 THR . 52303 1 171 137 ALA . 52303 1 172 138 LYS . 52303 1 173 139 ASP . 52303 1 174 140 VAL . 52303 1 175 141 ASN . 52303 1 176 142 ARG . 52303 1 177 143 ASP . 52303 1 178 144 LEU . 52303 1 179 145 TYR . 52303 1 180 146 ARG . 52303 1 181 147 MET . 52303 1 182 148 LYS . 52303 1 183 149 SER . 52303 1 184 150 ARG . 52303 1 185 151 HIS . 52303 1 186 152 LEU . 52303 1 187 153 LEU . 52303 1 188 154 ASP . 52303 1 189 155 MET . 52303 1 190 156 ASP . 52303 1 191 157 GLU . 52303 1 192 158 GLN . 52303 1 193 159 SER . 52303 1 194 160 LYS . 52303 1 195 161 ALA . 52303 1 196 162 TRP . 52303 1 197 163 THR . 52303 1 198 164 ILE . 52303 1 199 165 TYR . 52303 1 200 166 ARG . 52303 1 201 167 LYS . 52303 1 202 168 LEU . 52303 1 203 169 ALA . 52303 1 204 170 ALA . 52303 1 205 171 ALA . 52303 1 206 172 LEU . 52303 1 207 173 GLU . 52303 1 208 174 HIS . 52303 1 209 175 HIS . 52303 1 210 176 HIS . 52303 1 211 177 HIS . 52303 1 212 178 HIS . 52303 1 213 179 HIS . 52303 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52303 1 . GLY 2 2 52303 1 . SER 3 3 52303 1 . SER 4 4 52303 1 . HIS 5 5 52303 1 . HIS 6 6 52303 1 . HIS 7 7 52303 1 . HIS 8 8 52303 1 . HIS 9 9 52303 1 . HIS 10 10 52303 1 . SER 11 11 52303 1 . SER 12 12 52303 1 . GLY 13 13 52303 1 . LEU 14 14 52303 1 . VAL 15 15 52303 1 . PRO 16 16 52303 1 . ARG 17 17 52303 1 . GLY 18 18 52303 1 . SER 19 19 52303 1 . HIS 20 20 52303 1 . MET 21 21 52303 1 . ALA 22 22 52303 1 . SER 23 23 52303 1 . MET 24 24 52303 1 . THR 25 25 52303 1 . GLY 26 26 52303 1 . GLY 27 27 52303 1 . GLN 28 28 52303 1 . GLN 29 29 52303 1 . MET 30 30 52303 1 . GLY 31 31 52303 1 . ARG 32 32 52303 1 . GLY 33 33 52303 1 . SER 34 34 52303 1 . MET 35 35 52303 1 . ALA 36 36 52303 1 . GLN 37 37 52303 1 . ALA 38 38 52303 1 . PRO 39 39 52303 1 . ALA 40 40 52303 1 . ASP 41 41 52303 1 . PRO 42 42 52303 1 . GLY 43 43 52303 1 . ARG 44 44 52303 1 . GLU 45 45 52303 1 . GLY 46 46 52303 1 . HIS 47 47 52303 1 . LEU 48 48 52303 1 . GLU 49 49 52303 1 . GLN 50 50 52303 1 . ARG 51 51 52303 1 . ILE 52 52 52303 1 . LEU 53 53 52303 1 . GLN 54 54 52303 1 . VAL 55 55 52303 1 . LEU 56 56 52303 1 . THR 57 57 52303 1 . GLU 58 58 52303 1 . ALA 59 59 52303 1 . GLY 60 60 52303 1 . SER 61 61 52303 1 . PRO 62 62 52303 1 . VAL 63 63 52303 1 . LYS 64 64 52303 1 . LEU 65 65 52303 1 . ALA 66 66 52303 1 . GLN 67 67 52303 1 . LEU 68 68 52303 1 . VAL 69 69 52303 1 . LYS 70 70 52303 1 . GLU 71 71 52303 1 . CYS 72 72 52303 1 . GLN 73 73 52303 1 . ALA 74 74 52303 1 . PRO 75 75 52303 1 . LYS 76 76 52303 1 . ARG 77 77 52303 1 . GLU 78 78 52303 1 . LEU 79 79 52303 1 . ASN 80 80 52303 1 . GLN 81 81 52303 1 . VAL 82 82 52303 1 . LEU 83 83 52303 1 . TYR 84 84 52303 1 . ARG 85 85 52303 1 . MET 86 86 52303 1 . LYS 87 87 52303 1 . LYS 88 88 52303 1 . GLU 89 89 52303 1 . LEU 90 90 52303 1 . LYS 91 91 52303 1 . VAL 92 92 52303 1 . SER 93 93 52303 1 . LEU 94 94 52303 1 . THR 95 95 52303 1 . SER 96 96 52303 1 . PRO 97 97 52303 1 . ALA 98 98 52303 1 . THR 99 99 52303 1 . TRP 100 100 52303 1 . CYS 101 101 52303 1 . LEU 102 102 52303 1 . GLY 103 103 52303 1 . GLY 104 104 52303 1 . THR 105 105 52303 1 . ASP 106 106 52303 1 . PRO 107 107 52303 1 . GLU 108 108 52303 1 . GLY 109 109 52303 1 . GLU 110 110 52303 1 . GLY 111 111 52303 1 . PRO 112 112 52303 1 . ALA 113 113 52303 1 . GLU 114 114 52303 1 . LEU 115 115 52303 1 . ALA 116 116 52303 1 . LEU 117 117 52303 1 . SER 118 118 52303 1 . SER 119 119 52303 1 . PRO 120 120 52303 1 . ALA 121 121 52303 1 . GLU 122 122 52303 1 . ARG 123 123 52303 1 . PRO 124 124 52303 1 . GLN 125 125 52303 1 . GLN 126 126 52303 1 . HIS 127 127 52303 1 . ALA 128 128 52303 1 . ALA 129 129 52303 1 . THR 130 130 52303 1 . ILE 131 131 52303 1 . PRO 132 132 52303 1 . GLU 133 133 52303 1 . THR 134 134 52303 1 . PRO 135 135 52303 1 . GLY 136 136 52303 1 . PRO 137 137 52303 1 . GLN 138 138 52303 1 . PHE 139 139 52303 1 . SER 140 140 52303 1 . GLN 141 141 52303 1 . GLN 142 142 52303 1 . ARG 143 143 52303 1 . GLU 144 144 52303 1 . GLU 145 145 52303 1 . ASP 146 146 52303 1 . ILE 147 147 52303 1 . TYR 148 148 52303 1 . ARG 149 149 52303 1 . PHE 150 150 52303 1 . LEU 151 151 52303 1 . LYS 152 152 52303 1 . ASP 153 153 52303 1 . ASN 154 154 52303 1 . GLY 155 155 52303 1 . PRO 156 156 52303 1 . GLN 157 157 52303 1 . ARG 158 158 52303 1 . ALA 159 159 52303 1 . LEU 160 160 52303 1 . VAL 161 161 52303 1 . ILE 162 162 52303 1 . ALA 163 163 52303 1 . GLN 164 164 52303 1 . ALA 165 165 52303 1 . LEU 166 166 52303 1 . GLY 167 167 52303 1 . MET 168 168 52303 1 . ARG 169 169 52303 1 . THR 170 170 52303 1 . ALA 171 171 52303 1 . LYS 172 172 52303 1 . ASP 173 173 52303 1 . VAL 174 174 52303 1 . ASN 175 175 52303 1 . ARG 176 176 52303 1 . ASP 177 177 52303 1 . LEU 178 178 52303 1 . TYR 179 179 52303 1 . ARG 180 180 52303 1 . MET 181 181 52303 1 . LYS 182 182 52303 1 . SER 183 183 52303 1 . ARG 184 184 52303 1 . HIS 185 185 52303 1 . LEU 186 186 52303 1 . LEU 187 187 52303 1 . ASP 188 188 52303 1 . MET 189 189 52303 1 . ASP 190 190 52303 1 . GLU 191 191 52303 1 . GLN 192 192 52303 1 . SER 193 193 52303 1 . LYS 194 194 52303 1 . ALA 195 195 52303 1 . TRP 196 196 52303 1 . THR 197 197 52303 1 . ILE 198 198 52303 1 . TYR 199 199 52303 1 . ARG 200 200 52303 1 . LYS 201 201 52303 1 . LEU 202 202 52303 1 . ALA 203 203 52303 1 . ALA 204 204 52303 1 . ALA 205 205 52303 1 . LEU 206 206 52303 1 . GLU 207 207 52303 1 . HIS 208 208 52303 1 . HIS 209 209 52303 1 . HIS 210 210 52303 1 . HIS 211 211 52303 1 . HIS 212 212 52303 1 . HIS 213 213 52303 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 52303 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52303 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 52303 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 LOBSTR' . . plasmid . . pET-28a+ . . . 52303 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52303 _Sample.ID 1 _Sample.Name ZBP1_Tandem _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 ZBP1_Tandem '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.12 . . mM . . . . 52303 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 52303 _Sample_condition_list.ID 1 _Sample_condition_list.Name ZBP1_Tandem _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 52303 1 pH 6.4 . pH 52303 1 pressure 1 . atm 52303 1 temperature 308.15 . K 52303 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52303 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52303 1 processing . 52303 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52303 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52303 2 processing . 52303 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52303 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52303 3 'data analysis' . 52303 3 'peak picking' . 52303 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 52303 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52303 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52303 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52303 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52303 1 4 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52303 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52303 1 6 '2D (HCa)CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52303 1 7 '3D (H)N(CA)NNH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52303 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 52303 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ZBP1_Tandem _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 na 'methyl carbon' . . . . ppm 0 na direct 1 . . . . . 52303 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 52303 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 52303 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 52303 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ZBP1_Tandem _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52303 1 2 '3D CBCA(CO)NH' . . . 52303 1 3 '3D HNCO' . . . 52303 1 4 '3D HNCACO' . . . 52303 1 5 '3D HNCACB' . . . 52303 1 6 '2D (HCa)CON' . . . 52303 1 7 '3D (H)N(CA)NNH' . . . 52303 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52303 1 2 $software_2 . . 52303 1 3 $software_3 . . 52303 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 11 11 SER CA C 13 58.319 0.000 . 1 . . . . . -23 S CA . 52303 1 2 . 1 . 1 11 11 SER CB C 13 63.809 0.000 . 1 . . . . . -23 S CB . 52303 1 3 . 1 . 1 12 12 SER H H 1 8.457 0.008 . 1 . . . . . -22 S HN . 52303 1 4 . 1 . 1 12 12 SER C C 13 174.944 0.000 . 1 . . . . . -22 S C . 52303 1 5 . 1 . 1 12 12 SER CA C 13 58.753 0.018 . 1 . . . . . -22 S CA . 52303 1 6 . 1 . 1 12 12 SER CB C 13 63.928 0.002 . 1 . . . . . -22 S CB . 52303 1 7 . 1 . 1 12 12 SER N N 15 118.012 0.044 . 1 . . . . . -22 S N . 52303 1 8 . 1 . 1 13 13 GLY H H 1 8.378 0.004 . 1 . . . . . -21 G HN . 52303 1 9 . 1 . 1 13 13 GLY C C 13 173.827 0.000 . 1 . . . . . -21 G C . 52303 1 10 . 1 . 1 13 13 GLY CA C 13 45.380 0.014 . 1 . . . . . -21 G CA . 52303 1 11 . 1 . 1 13 13 GLY N N 15 110.478 0.035 . 1 . . . . . -21 G N . 52303 1 12 . 1 . 1 14 14 LEU H H 1 8.031 0.003 . 1 . . . . . -20 L HN . 52303 1 13 . 1 . 1 14 14 LEU C C 13 177.060 0.000 . 1 . . . . . -20 L C . 52303 1 14 . 1 . 1 14 14 LEU CA C 13 55.147 0.007 . 1 . . . . . -20 L CA . 52303 1 15 . 1 . 1 14 14 LEU CB C 13 42.517 0.004 . 1 . . . . . -20 L CB . 52303 1 16 . 1 . 1 14 14 LEU N N 15 121.603 0.028 . 1 . . . . . -20 L N . 52303 1 17 . 1 . 1 15 15 VAL H H 1 8.059 0.002 . 1 . . . . . -19 V HN . 52303 1 18 . 1 . 1 15 15 VAL C C 13 174.403 0.004 . 1 . . . . . -19 V C . 52303 1 19 . 1 . 1 15 15 VAL CA C 13 59.886 0.000 . 1 . . . . . -19 V CA . 52303 1 20 . 1 . 1 15 15 VAL CB C 13 32.739 0.000 . 1 . . . . . -19 V CB . 52303 1 21 . 1 . 1 15 15 VAL N N 15 122.414 0.029 . 1 . . . . . -19 V N . 52303 1 22 . 1 . 1 16 16 PRO C C 13 176.901 0.000 . 1 . . . . . -18 P C . 52303 1 23 . 1 . 1 16 16 PRO CA C 13 63.191 0.000 . 1 . . . . . -18 P CA . 52303 1 24 . 1 . 1 16 16 PRO CB C 13 32.150 0.000 . 1 . . . . . -18 P CB . 52303 1 25 . 1 . 1 16 16 PRO N N 15 139.578 0.000 . 1 . . . . . -18 P N . 52303 1 26 . 1 . 1 17 17 ARG H H 1 8.428 0.001 . 1 . . . . . -17 R HN . 52303 1 27 . 1 . 1 17 17 ARG C C 13 176.984 0.000 . 1 . . . . . -17 R C . 52303 1 28 . 1 . 1 17 17 ARG CA C 13 56.531 0.029 . 1 . . . . . -17 R CA . 52303 1 29 . 1 . 1 17 17 ARG CB C 13 30.899 0.023 . 1 . . . . . -17 R CB . 52303 1 30 . 1 . 1 17 17 ARG N N 15 121.777 0.067 . 1 . . . . . -17 R N . 52303 1 31 . 1 . 1 18 18 GLY H H 1 8.447 0.004 . 1 . . . . . -16 G HN . 52303 1 32 . 1 . 1 18 18 GLY C C 13 174.248 0.000 . 1 . . . . . -16 G C . 52303 1 33 . 1 . 1 18 18 GLY CA C 13 45.416 0.027 . 1 . . . . . -16 G CA . 52303 1 34 . 1 . 1 18 18 GLY N N 15 110.107 0.069 . 1 . . . . . -16 G N . 52303 1 35 . 1 . 1 19 19 SER H H 1 8.201 0.006 . 1 . . . . . -15 S HN . 52303 1 36 . 1 . 1 19 19 SER C C 13 174.445 0.000 . 1 . . . . . -15 S C . 52303 1 37 . 1 . 1 19 19 SER CA C 13 58.501 0.000 . 1 . . . . . -15 S CA . 52303 1 38 . 1 . 1 19 19 SER CB C 13 63.946 0.000 . 1 . . . . . -15 S CB . 52303 1 39 . 1 . 1 19 19 SER N N 15 115.506 0.019 . 1 . . . . . -15 S N . 52303 1 40 . 1 . 1 20 20 HIS CA C 13 56.339 0.000 . 1 . . . . . -14 H CA . 52303 1 41 . 1 . 1 20 20 HIS CB C 13 30.040 0.000 . 1 . . . . . -14 H CB . 52303 1 42 . 1 . 1 21 21 MET H H 1 8.212 0.007 . 1 . . . . . -13 M HN . 52303 1 43 . 1 . 1 21 21 MET C C 13 176.000 0.000 . 1 . . . . . -13 M C . 52303 1 44 . 1 . 1 21 21 MET CA C 13 55.695 0.002 . 1 . . . . . -13 M CA . 52303 1 45 . 1 . 1 21 21 MET CB C 13 32.980 0.010 . 1 . . . . . -13 M CB . 52303 1 46 . 1 . 1 21 21 MET N N 15 121.318 0.023 . 1 . . . . . -13 M N . 52303 1 47 . 1 . 1 22 22 ALA H H 1 8.294 0.004 . 1 . . . . . -12 A HN . 52303 1 48 . 1 . 1 22 22 ALA C C 13 177.739 0.000 . 1 . . . . . -12 A C . 52303 1 49 . 1 . 1 22 22 ALA CA C 13 52.885 0.000 . 1 . . . . . -12 A CA . 52303 1 50 . 1 . 1 22 22 ALA CB C 13 19.279 0.011 . 1 . . . . . -12 A CB . 52303 1 51 . 1 . 1 22 22 ALA N N 15 124.987 0.022 . 1 . . . . . -12 A N . 52303 1 52 . 1 . 1 23 23 SER H H 1 8.182 0.003 . 1 . . . . . -11 S HN . 52303 1 53 . 1 . 1 23 23 SER C C 13 174.774 0.000 . 1 . . . . . -11 S C . 52303 1 54 . 1 . 1 23 23 SER CA C 13 58.527 0.016 . 1 . . . . . -11 S CA . 52303 1 55 . 1 . 1 23 23 SER CB C 13 63.872 0.043 . 1 . . . . . -11 S CB . 52303 1 56 . 1 . 1 23 23 SER N N 15 114.279 0.015 . 1 . . . . . -11 S N . 52303 1 57 . 1 . 1 24 24 MET H H 1 8.357 0.003 . 1 . . . . . -10 M HN . 52303 1 58 . 1 . 1 24 24 MET C C 13 176.525 0.000 . 1 . . . . . -10 M C . 52303 1 59 . 1 . 1 24 24 MET CA C 13 55.726 0.061 . 1 . . . . . -10 M CA . 52303 1 60 . 1 . 1 24 24 MET CB C 13 33.044 0.045 . 1 . . . . . -10 M CB . 52303 1 61 . 1 . 1 24 24 MET N N 15 122.066 0.063 . 1 . . . . . -10 M N . 52303 1 62 . 1 . 1 25 25 THR H H 1 8.115 0.003 . 1 . . . . . -9 T HN . 52303 1 63 . 1 . 1 25 25 THR C C 13 175.207 0.000 . 1 . . . . . -9 T C . 52303 1 64 . 1 . 1 25 25 THR CA C 13 62.084 0.009 . 1 . . . . . -9 T CA . 52303 1 65 . 1 . 1 25 25 THR CB C 13 69.895 0.004 . 1 . . . . . -9 T CB . 52303 1 66 . 1 . 1 25 25 THR N N 15 113.993 0.021 . 1 . . . . . -9 T N . 52303 1 67 . 1 . 1 26 26 GLY H H 1 8.388 0.002 . 1 . . . . . -8 G HN . 52303 1 68 . 1 . 1 26 26 GLY C C 13 174.775 0.000 . 1 . . . . . -8 G C . 52303 1 69 . 1 . 1 26 26 GLY CA C 13 45.640 0.004 . 1 . . . . . -8 G CA . 52303 1 70 . 1 . 1 26 26 GLY N N 15 111.099 0.033 . 1 . . . . . -8 G N . 52303 1 71 . 1 . 1 27 27 GLY H H 1 8.287 0.002 . 1 . . . . . -7 G HN . 52303 1 72 . 1 . 1 27 27 GLY C C 13 174.367 0.000 . 1 . . . . . -7 G C . 52303 1 73 . 1 . 1 27 27 GLY CA C 13 45.428 0.006 . 1 . . . . . -7 G CA . 52303 1 74 . 1 . 1 27 27 GLY N N 15 108.567 0.028 . 1 . . . . . -7 G N . 52303 1 75 . 1 . 1 28 28 GLN H H 1 8.282 0.004 . 1 . . . . . -6 Q HN . 52303 1 76 . 1 . 1 28 28 GLN C C 13 176.126 0.000 . 1 . . . . . -6 Q C . 52303 1 77 . 1 . 1 28 28 GLN CA C 13 56.139 0.000 . 1 . . . . . -6 Q CA . 52303 1 78 . 1 . 1 28 28 GLN CB C 13 29.515 0.000 . 1 . . . . . -6 Q CB . 52303 1 79 . 1 . 1 28 28 GLN N N 15 119.736 0.009 . 1 . . . . . -6 Q N . 52303 1 80 . 1 . 1 29 29 GLN H H 1 8.465 0.002 . 1 . . . . . -5 Q HN . 52303 1 81 . 1 . 1 29 29 GLN C C 13 176.040 0.000 . 1 . . . . . -5 Q C . 52303 1 82 . 1 . 1 29 29 GLN CA C 13 56.127 0.009 . 1 . . . . . -5 Q CA . 52303 1 83 . 1 . 1 29 29 GLN CB C 13 29.418 0.006 . 1 . . . . . -5 Q CB . 52303 1 84 . 1 . 1 29 29 GLN N N 15 121.209 0.019 . 1 . . . . . -5 Q N . 52303 1 85 . 1 . 1 30 30 MET H H 1 8.384 0.004 . 1 . . . . . -4 M HN . 52303 1 86 . 1 . 1 30 30 MET C C 13 176.733 0.000 . 1 . . . . . -4 M C . 52303 1 87 . 1 . 1 30 30 MET CA C 13 55.674 0.014 . 1 . . . . . -4 M CA . 52303 1 88 . 1 . 1 30 30 MET CB C 13 32.951 0.014 . 1 . . . . . -4 M CB . 52303 1 89 . 1 . 1 30 30 MET N N 15 121.326 0.028 . 1 . . . . . -4 M N . 52303 1 90 . 1 . 1 31 31 GLY H H 1 8.417 0.002 . 1 . . . . . -3 G HN . 52303 1 91 . 1 . 1 31 31 GLY C C 13 174.231 0.000 . 1 . . . . . -3 G C . 52303 1 92 . 1 . 1 31 31 GLY CA C 13 45.514 0.002 . 1 . . . . . -3 G CA . 52303 1 93 . 1 . 1 31 31 GLY N N 15 109.917 0.033 . 1 . . . . . -3 G N . 52303 1 94 . 1 . 1 32 32 ARG H H 1 8.245 0.007 . 1 . . . . . -2 R HN . 52303 1 95 . 1 . 1 32 32 ARG C C 13 176.984 0.000 . 1 . . . . . -2 R C . 52303 1 96 . 1 . 1 32 32 ARG CA C 13 56.375 0.001 . 1 . . . . . -2 R CA . 52303 1 97 . 1 . 1 32 32 ARG CB C 13 30.840 0.001 . 1 . . . . . -2 R CB . 52303 1 98 . 1 . 1 32 32 ARG N N 15 120.553 0.028 . 1 . . . . . -2 R N . 52303 1 99 . 1 . 1 33 33 GLY H H 1 8.483 0.010 . 1 . . . . . -1 G HN . 52303 1 100 . 1 . 1 33 33 GLY C C 13 174.319 0.000 . 1 . . . . . -1 G C . 52303 1 101 . 1 . 1 33 33 GLY CA C 13 45.442 0.004 . 1 . . . . . -1 G CA . 52303 1 102 . 1 . 1 33 33 GLY N N 15 109.901 0.029 . 1 . . . . . -1 G N . 52303 1 103 . 1 . 1 34 34 SER H H 1 8.219 0.008 . 1 . . . . . 0 S HN . 52303 1 104 . 1 . 1 34 34 SER C C 13 174.774 0.000 . 1 . . . . . 0 S C . 52303 1 105 . 1 . 1 34 34 SER CA C 13 58.574 0.000 . 1 . . . . . 0 S CA . 52303 1 106 . 1 . 1 34 34 SER CB C 13 64.009 0.000 . 1 . . . . . 0 S CB . 52303 1 107 . 1 . 1 34 34 SER N N 15 115.576 0.054 . 1 . . . . . 0 S N . 52303 1 108 . 1 . 1 35 35 MET H H 1 8.355 0.001 . 1 . . . . . 1 M HN . 52303 1 109 . 1 . 1 35 35 MET C C 13 175.900 0.000 . 1 . . . . . 1 M C . 52303 1 110 . 1 . 1 35 35 MET CA C 13 55.455 0.000 . 1 . . . . . 1 M CA . 52303 1 111 . 1 . 1 35 35 MET CB C 13 32.960 0.001 . 1 . . . . . 1 M CB . 52303 1 112 . 1 . 1 35 35 MET N N 15 121.884 0.011 . 1 . . . . . 1 M N . 52303 1 113 . 1 . 1 36 36 ALA H H 1 8.193 0.002 . 1 . . . . . 2 A HN . 52303 1 114 . 1 . 1 36 36 ALA C C 13 177.398 0.000 . 1 . . . . . 2 A C . 52303 1 115 . 1 . 1 36 36 ALA CA C 13 52.720 0.046 . 1 . . . . . 2 A CA . 52303 1 116 . 1 . 1 36 36 ALA CB C 13 19.234 0.040 . 1 . . . . . 2 A CB . 52303 1 117 . 1 . 1 36 36 ALA N N 15 124.801 0.035 . 1 . . . . . 2 A N . 52303 1 118 . 1 . 1 37 37 GLN H H 1 8.208 0.002 . 1 . . . . . 3 Q HN . 52303 1 119 . 1 . 1 37 37 GLN C C 13 175.233 0.000 . 1 . . . . . 3 Q C . 52303 1 120 . 1 . 1 37 37 GLN CA C 13 55.437 0.002 . 1 . . . . . 3 Q CA . 52303 1 121 . 1 . 1 37 37 GLN CB C 13 29.820 0.008 . 1 . . . . . 3 Q CB . 52303 1 122 . 1 . 1 37 37 GLN N N 15 119.320 0.013 . 1 . . . . . 3 Q N . 52303 1 123 . 1 . 1 38 38 ALA H H 1 8.297 0.002 . 1 . . . . . 4 A HN . 52303 1 124 . 1 . 1 38 38 ALA C C 13 175.370 0.002 . 1 . . . . . 4 A C . 52303 1 125 . 1 . 1 38 38 ALA CA C 13 50.600 0.000 . 1 . . . . . 4 A CA . 52303 1 126 . 1 . 1 38 38 ALA CB C 13 18.277 0.000 . 1 . . . . . 4 A CB . 52303 1 127 . 1 . 1 38 38 ALA N N 15 126.885 0.027 . 1 . . . . . 4 A N . 52303 1 128 . 1 . 1 39 39 PRO C C 13 176.498 0.000 . 1 . . . . . 5 P C . 52303 1 129 . 1 . 1 39 39 PRO CA C 13 62.940 0.000 . 1 . . . . . 5 P CA . 52303 1 130 . 1 . 1 39 39 PRO CB C 13 32.124 0.000 . 1 . . . . . 5 P CB . 52303 1 131 . 1 . 1 39 39 PRO N N 15 135.503 0.000 . 1 . . . . . 5 P N . 52303 1 132 . 1 . 1 40 40 ALA H H 1 8.322 0.002 . 1 . . . . . 6 A HN . 52303 1 133 . 1 . 1 40 40 ALA C C 13 177.183 0.000 . 1 . . . . . 6 A C . 52303 1 134 . 1 . 1 40 40 ALA CA C 13 52.303 0.000 . 1 . . . . . 6 A CA . 52303 1 135 . 1 . 1 40 40 ALA CB C 13 19.390 0.005 . 1 . . . . . 6 A CB . 52303 1 136 . 1 . 1 40 40 ALA N N 15 124.202 0.025 . 1 . . . . . 6 A N . 52303 1 137 . 1 . 1 41 41 ASP H H 1 8.310 0.002 . 1 . . . . . 7 D HN . 52303 1 138 . 1 . 1 41 41 ASP C C 13 174.937 0.011 . 1 . . . . . 7 D C . 52303 1 139 . 1 . 1 41 41 ASP CA C 13 51.983 0.000 . 1 . . . . . 7 D CA . 52303 1 140 . 1 . 1 41 41 ASP CB C 13 41.739 0.000 . 1 . . . . . 7 D CB . 52303 1 141 . 1 . 1 41 41 ASP N N 15 120.570 0.013 . 1 . . . . . 7 D N . 52303 1 142 . 1 . 1 42 42 PRO C C 13 177.986 0.000 . 1 . . . . . 8 P C . 52303 1 143 . 1 . 1 42 42 PRO CA C 13 64.097 0.000 . 1 . . . . . 8 P CA . 52303 1 144 . 1 . 1 42 42 PRO CB C 13 32.124 0.000 . 1 . . . . . 8 P CB . 52303 1 145 . 1 . 1 42 42 PRO N N 15 137.498 0.000 . 1 . . . . . 8 P N . 52303 1 146 . 1 . 1 43 43 GLY H H 1 8.515 0.001 . 1 . . . . . 9 G HN . 52303 1 147 . 1 . 1 43 43 GLY C C 13 174.923 0.000 . 1 . . . . . 9 G C . 52303 1 148 . 1 . 1 43 43 GLY CA C 13 45.626 0.000 . 1 . . . . . 9 G CA . 52303 1 149 . 1 . 1 43 43 GLY N N 15 108.148 0.020 . 1 . . . . . 9 G N . 52303 1 150 . 1 . 1 44 44 ARG H H 1 8.043 0.002 . 1 . . . . . 10 R HN . 52303 1 151 . 1 . 1 44 44 ARG C C 13 177.601 0.000 . 1 . . . . . 10 R C . 52303 1 152 . 1 . 1 44 44 ARG CA C 13 58.042 0.022 . 1 . . . . . 10 R CA . 52303 1 153 . 1 . 1 44 44 ARG CB C 13 30.441 0.012 . 1 . . . . . 10 R CB . 52303 1 154 . 1 . 1 44 44 ARG N N 15 121.679 0.022 . 1 . . . . . 10 R N . 52303 1 155 . 1 . 1 45 45 GLU H H 1 8.622 0.002 . 1 . . . . . 11 E HN . 52303 1 156 . 1 . 1 45 45 GLU C C 13 178.109 0.000 . 1 . . . . . 11 E C . 52303 1 157 . 1 . 1 45 45 GLU CA C 13 59.254 0.017 . 1 . . . . . 11 E CA . 52303 1 158 . 1 . 1 45 45 GLU CB C 13 29.510 0.004 . 1 . . . . . 11 E CB . 52303 1 159 . 1 . 1 45 45 GLU N N 15 119.858 0.025 . 1 . . . . . 11 E N . 52303 1 160 . 1 . 1 46 46 GLY H H 1 8.274 0.003 . 1 . . . . . 12 G HN . 52303 1 161 . 1 . 1 46 46 GLY C C 13 175.952 0.000 . 1 . . . . . 12 G C . 52303 1 162 . 1 . 1 46 46 GLY CA C 13 46.582 0.007 . 1 . . . . . 12 G CA . 52303 1 163 . 1 . 1 46 46 GLY N N 15 108.049 0.015 . 1 . . . . . 12 G N . 52303 1 164 . 1 . 1 47 47 HIS H H 1 8.113 0.009 . 1 . . . . . 13 H HN . 52303 1 165 . 1 . 1 47 47 HIS CA C 13 58.495 0.000 . 1 . . . . . 13 H CA . 52303 1 166 . 1 . 1 47 47 HIS N N 15 120.448 0.062 . 1 . . . . . 13 H N . 52303 1 167 . 1 . 1 48 48 LEU H H 1 8.326 0.004 . 1 . . . . . 14 L HN . 52303 1 168 . 1 . 1 48 48 LEU C C 13 178.060 0.000 . 1 . . . . . 14 L C . 52303 1 169 . 1 . 1 48 48 LEU CA C 13 58.193 0.006 . 1 . . . . . 14 L CA . 52303 1 170 . 1 . 1 48 48 LEU CB C 13 41.559 0.031 . 1 . . . . . 14 L CB . 52303 1 171 . 1 . 1 48 48 LEU N N 15 121.177 0.031 . 1 . . . . . 14 L N . 52303 1 172 . 1 . 1 49 49 GLU H H 1 8.579 0.002 . 1 . . . . . 15 E HN . 52303 1 173 . 1 . 1 49 49 GLU C C 13 177.637 0.000 . 1 . . . . . 15 E C . 52303 1 174 . 1 . 1 49 49 GLU CA C 13 60.296 0.016 . 1 . . . . . 15 E CA . 52303 1 175 . 1 . 1 49 49 GLU CB C 13 29.375 0.005 . 1 . . . . . 15 E CB . 52303 1 176 . 1 . 1 49 49 GLU N N 15 119.309 0.034 . 1 . . . . . 15 E N . 52303 1 177 . 1 . 1 50 50 GLN H H 1 7.614 0.002 . 1 . . . . . 16 Q HN . 52303 1 178 . 1 . 1 50 50 GLN C C 13 178.884 0.000 . 1 . . . . . 16 Q C . 52303 1 179 . 1 . 1 50 50 GLN CA C 13 59.016 0.056 . 1 . . . . . 16 Q CA . 52303 1 180 . 1 . 1 50 50 GLN CB C 13 28.258 0.032 . 1 . . . . . 16 Q CB . 52303 1 181 . 1 . 1 50 50 GLN N N 15 115.511 0.016 . 1 . . . . . 16 Q N . 52303 1 182 . 1 . 1 51 51 ARG H H 1 7.985 0.003 . 1 . . . . . 17 R HN . 52303 1 183 . 1 . 1 51 51 ARG C C 13 178.059 0.000 . 1 . . . . . 17 R C . 52303 1 184 . 1 . 1 51 51 ARG CA C 13 58.374 0.018 . 1 . . . . . 17 R CA . 52303 1 185 . 1 . 1 51 51 ARG CB C 13 29.439 0.010 . 1 . . . . . 17 R CB . 52303 1 186 . 1 . 1 51 51 ARG N N 15 120.678 0.022 . 1 . . . . . 17 R N . 52303 1 187 . 1 . 1 52 52 ILE H H 1 8.716 0.001 . 1 . . . . . 18 I HN . 52303 1 188 . 1 . 1 52 52 ILE C C 13 177.829 0.000 . 1 . . . . . 18 I C . 52303 1 189 . 1 . 1 52 52 ILE CA C 13 66.098 0.010 . 1 . . . . . 18 I CA . 52303 1 190 . 1 . 1 52 52 ILE CB C 13 38.700 0.040 . 1 . . . . . 18 I CB . 52303 1 191 . 1 . 1 52 52 ILE N N 15 119.888 0.014 . 1 . . . . . 18 I N . 52303 1 192 . 1 . 1 53 53 LEU H H 1 8.088 0.004 . 1 . . . . . 19 L HN . 52303 1 193 . 1 . 1 53 53 LEU C C 13 180.298 0.000 . 1 . . . . . 19 L C . 52303 1 194 . 1 . 1 53 53 LEU CA C 13 58.495 0.000 . 1 . . . . . 19 L CA . 52303 1 195 . 1 . 1 53 53 LEU CB C 13 41.301 0.057 . 1 . . . . . 19 L CB . 52303 1 196 . 1 . 1 53 53 LEU N N 15 117.117 0.012 . 1 . . . . . 19 L N . 52303 1 197 . 1 . 1 54 54 GLN H H 1 8.235 0.001 . 1 . . . . . 20 Q HN . 52303 1 198 . 1 . 1 54 54 GLN C C 13 178.106 0.000 . 1 . . . . . 20 Q C . 52303 1 199 . 1 . 1 54 54 GLN CA C 13 59.817 0.000 . 1 . . . . . 20 Q CA . 52303 1 200 . 1 . 1 54 54 GLN CB C 13 28.039 0.068 . 1 . . . . . 20 Q CB . 52303 1 201 . 1 . 1 54 54 GLN N N 15 122.579 0.019 . 1 . . . . . 20 Q N . 52303 1 202 . 1 . 1 55 55 VAL H H 1 8.324 0.003 . 1 . . . . . 21 V HN . 52303 1 203 . 1 . 1 55 55 VAL C C 13 179.518 0.000 . 1 . . . . . 21 V C . 52303 1 204 . 1 . 1 55 55 VAL CA C 13 66.385 0.013 . 1 . . . . . 21 V CA . 52303 1 205 . 1 . 1 55 55 VAL CB C 13 31.692 0.034 . 1 . . . . . 21 V CB . 52303 1 206 . 1 . 1 55 55 VAL N N 15 120.617 0.031 . 1 . . . . . 21 V N . 52303 1 207 . 1 . 1 56 56 LEU H H 1 8.625 0.001 . 1 . . . . . 22 L HN . 52303 1 208 . 1 . 1 56 56 LEU C C 13 180.434 0.000 . 1 . . . . . 22 L C . 52303 1 209 . 1 . 1 56 56 LEU CA C 13 58.178 0.000 . 1 . . . . . 22 L CA . 52303 1 210 . 1 . 1 56 56 LEU CB C 13 41.871 0.000 . 1 . . . . . 22 L CB . 52303 1 211 . 1 . 1 56 56 LEU N N 15 117.417 0.036 . 1 . . . . . 22 L N . 52303 1 212 . 1 . 1 57 57 THR H H 1 8.435 0.003 . 1 . . . . . 23 T HN . 52303 1 213 . 1 . 1 57 57 THR C C 13 176.429 0.000 . 1 . . . . . 23 T C . 52303 1 214 . 1 . 1 57 57 THR CA C 13 67.041 0.040 . 1 . . . . . 23 T CA . 52303 1 215 . 1 . 1 57 57 THR CB C 13 68.669 0.056 . 1 . . . . . 23 T CB . 52303 1 216 . 1 . 1 57 57 THR N N 15 117.782 0.065 . 1 . . . . . 23 T N . 52303 1 217 . 1 . 1 58 58 GLU H H 1 8.268 0.004 . 1 . . . . . 24 E HN . 52303 1 218 . 1 . 1 58 58 GLU C C 13 178.295 0.000 . 1 . . . . . 24 E C . 52303 1 219 . 1 . 1 58 58 GLU CA C 13 58.814 0.015 . 1 . . . . . 24 E CA . 52303 1 220 . 1 . 1 58 58 GLU CB C 13 29.488 0.035 . 1 . . . . . 24 E CB . 52303 1 221 . 1 . 1 58 58 GLU N N 15 121.257 0.027 . 1 . . . . . 24 E N . 52303 1 222 . 1 . 1 59 59 ALA H H 1 7.879 0.002 . 1 . . . . . 25 A HN . 52303 1 223 . 1 . 1 59 59 ALA C C 13 180.352 0.000 . 1 . . . . . 25 A C . 52303 1 224 . 1 . 1 59 59 ALA CA C 13 54.738 0.006 . 1 . . . . . 25 A CA . 52303 1 225 . 1 . 1 59 59 ALA CB C 13 20.009 0.004 . 1 . . . . . 25 A CB . 52303 1 226 . 1 . 1 59 59 ALA N N 15 119.005 0.038 . 1 . . . . . 25 A N . 52303 1 227 . 1 . 1 60 60 GLY H H 1 7.588 0.003 . 1 . . . . . 26 G HN . 52303 1 228 . 1 . 1 60 60 GLY C C 13 172.753 0.000 . 1 . . . . . 26 G C . 52303 1 229 . 1 . 1 60 60 GLY CA C 13 46.592 0.002 . 1 . . . . . 26 G CA . 52303 1 230 . 1 . 1 60 60 GLY N N 15 102.949 0.021 . 1 . . . . . 26 G N . 52303 1 231 . 1 . 1 61 61 SER H H 1 7.453 0.001 . 1 . . . . . 27 S HN . 52303 1 232 . 1 . 1 61 61 SER C C 13 171.174 0.009 . 1 . . . . . 27 S C . 52303 1 233 . 1 . 1 61 61 SER CA C 13 56.644 0.000 . 1 . . . . . 27 S CA . 52303 1 234 . 1 . 1 61 61 SER CB C 13 63.976 0.000 . 1 . . . . . 27 S CB . 52303 1 235 . 1 . 1 61 61 SER N N 15 112.375 0.018 . 1 . . . . . 27 S N . 52303 1 236 . 1 . 1 62 62 PRO C C 13 176.668 0.000 . 1 . . . . . 28 P C . 52303 1 237 . 1 . 1 62 62 PRO CA C 13 63.524 0.000 . 1 . . . . . 28 P CA . 52303 1 238 . 1 . 1 62 62 PRO CB C 13 32.571 0.000 . 1 . . . . . 28 P CB . 52303 1 239 . 1 . 1 62 62 PRO N N 15 135.375 0.000 . 1 . . . . . 28 P N . 52303 1 240 . 1 . 1 63 63 VAL H H 1 9.627 0.005 . 1 . . . . . 29 V HN . 52303 1 241 . 1 . 1 63 63 VAL C C 13 175.331 0.000 . 1 . . . . . 29 V C . 52303 1 242 . 1 . 1 63 63 VAL CA C 13 61.677 0.004 . 1 . . . . . 29 V CA . 52303 1 243 . 1 . 1 63 63 VAL CB C 13 35.673 0.019 . 1 . . . . . 29 V CB . 52303 1 244 . 1 . 1 63 63 VAL N N 15 124.773 0.021 . 1 . . . . . 29 V N . 52303 1 245 . 1 . 1 64 64 LYS H H 1 8.818 0.003 . 1 . . . . . 30 K HN . 52303 1 246 . 1 . 1 64 64 LYS C C 13 179.145 0.000 . 1 . . . . . 30 K C . 52303 1 247 . 1 . 1 64 64 LYS CA C 13 56.588 0.001 . 1 . . . . . 30 K CA . 52303 1 248 . 1 . 1 64 64 LYS CB C 13 33.430 0.018 . 1 . . . . . 30 K CB . 52303 1 249 . 1 . 1 64 64 LYS N N 15 125.814 0.023 . 1 . . . . . 30 K N . 52303 1 250 . 1 . 1 65 65 LEU H H 1 9.145 0.005 . 1 . . . . . 31 L HN . 52303 1 251 . 1 . 1 65 65 LEU C C 13 177.949 0.000 . 1 . . . . . 31 L C . 52303 1 252 . 1 . 1 65 65 LEU CA C 13 58.702 0.017 . 1 . . . . . 31 L CA . 52303 1 253 . 1 . 1 65 65 LEU CB C 13 42.440 0.009 . 1 . . . . . 31 L CB . 52303 1 254 . 1 . 1 65 65 LEU N N 15 124.423 0.033 . 1 . . . . . 31 L N . 52303 1 255 . 1 . 1 66 66 ALA H H 1 8.817 0.003 . 1 . . . . . 32 A HN . 52303 1 256 . 1 . 1 66 66 ALA C C 13 180.327 0.000 . 1 . . . . . 32 A C . 52303 1 257 . 1 . 1 66 66 ALA CA C 13 55.639 0.007 . 1 . . . . . 32 A CA . 52303 1 258 . 1 . 1 66 66 ALA CB C 13 18.769 0.005 . 1 . . . . . 32 A CB . 52303 1 259 . 1 . 1 66 66 ALA N N 15 117.352 0.028 . 1 . . . . . 32 A N . 52303 1 260 . 1 . 1 67 67 GLN H H 1 7.376 0.002 . 1 . . . . . 33 Q HN . 52303 1 261 . 1 . 1 67 67 GLN C C 13 178.215 0.000 . 1 . . . . . 33 Q C . 52303 1 262 . 1 . 1 67 67 GLN CA C 13 58.204 0.000 . 1 . . . . . 33 Q CA . 52303 1 263 . 1 . 1 67 67 GLN CB C 13 28.211 0.024 . 1 . . . . . 33 Q CB . 52303 1 264 . 1 . 1 67 67 GLN N N 15 117.021 0.016 . 1 . . . . . 33 Q N . 52303 1 265 . 1 . 1 68 68 LEU H H 1 7.784 0.002 . 1 . . . . . 34 L HN . 52303 1 266 . 1 . 1 68 68 LEU C C 13 178.655 0.000 . 1 . . . . . 34 L C . 52303 1 267 . 1 . 1 68 68 LEU CA C 13 58.759 0.018 . 1 . . . . . 34 L CA . 52303 1 268 . 1 . 1 68 68 LEU CB C 13 42.202 0.001 . 1 . . . . . 34 L CB . 52303 1 269 . 1 . 1 68 68 LEU N N 15 120.709 0.019 . 1 . . . . . 34 L N . 52303 1 270 . 1 . 1 69 69 VAL H H 1 8.575 0.001 . 1 . . . . . 35 V HN . 52303 1 271 . 1 . 1 69 69 VAL C C 13 178.739 0.000 . 1 . . . . . 35 V C . 52303 1 272 . 1 . 1 69 69 VAL CA C 13 66.233 0.011 . 1 . . . . . 35 V CA . 52303 1 273 . 1 . 1 69 69 VAL CB C 13 32.322 0.001 . 1 . . . . . 35 V CB . 52303 1 274 . 1 . 1 69 69 VAL N N 15 120.447 0.012 . 1 . . . . . 35 V N . 52303 1 275 . 1 . 1 70 70 LYS H H 1 7.036 0.003 . 1 . . . . . 36 K HN . 52303 1 276 . 1 . 1 70 70 LYS C C 13 179.336 0.000 . 1 . . . . . 36 K C . 52303 1 277 . 1 . 1 70 70 LYS CA C 13 59.201 0.000 . 1 . . . . . 36 K CA . 52303 1 278 . 1 . 1 70 70 LYS CB C 13 32.890 0.035 . 1 . . . . . 36 K CB . 52303 1 279 . 1 . 1 70 70 LYS N N 15 118.175 0.020 . 1 . . . . . 36 K N . 52303 1 280 . 1 . 1 71 71 GLU H H 1 8.492 0.002 . 1 . . . . . 37 E HN . 52303 1 281 . 1 . 1 71 71 GLU C C 13 179.175 0.000 . 1 . . . . . 37 E C . 52303 1 282 . 1 . 1 71 71 GLU CA C 13 58.775 0.020 . 1 . . . . . 37 E CA . 52303 1 283 . 1 . 1 71 71 GLU CB C 13 31.136 0.080 . 1 . . . . . 37 E CB . 52303 1 284 . 1 . 1 71 71 GLU N N 15 116.029 0.020 . 1 . . . . . 37 E N . 52303 1 285 . 1 . 1 72 72 CYS H H 1 8.702 0.002 . 1 . . . . . 38 C HN . 52303 1 286 . 1 . 1 72 72 CYS C C 13 173.574 0.000 . 1 . . . . . 38 C C . 52303 1 287 . 1 . 1 72 72 CYS CA C 13 60.302 0.020 . 1 . . . . . 38 C CA . 52303 1 288 . 1 . 1 72 72 CYS CB C 13 28.118 0.011 . 1 . . . . . 38 C CB . 52303 1 289 . 1 . 1 72 72 CYS N N 15 113.527 0.025 . 1 . . . . . 38 C N . 52303 1 290 . 1 . 1 73 73 GLN H H 1 7.670 0.002 . 1 . . . . . 39 Q HN . 52303 1 291 . 1 . 1 73 73 GLN C C 13 173.538 0.000 . 1 . . . . . 39 Q C . 52303 1 292 . 1 . 1 73 73 GLN CA C 13 56.611 0.019 . 1 . . . . . 39 Q CA . 52303 1 293 . 1 . 1 73 73 GLN CB C 13 26.234 0.007 . 1 . . . . . 39 Q CB . 52303 1 294 . 1 . 1 73 73 GLN N N 15 114.996 0.039 . 1 . . . . . 39 Q N . 52303 1 295 . 1 . 1 74 74 ALA H H 1 7.296 0.002 . 1 . . . . . 40 A HN . 52303 1 296 . 1 . 1 74 74 ALA C C 13 173.081 0.022 . 1 . . . . . 40 A C . 52303 1 297 . 1 . 1 74 74 ALA CA C 13 49.042 0.000 . 1 . . . . . 40 A CA . 52303 1 298 . 1 . 1 74 74 ALA CB C 13 21.901 0.000 . 1 . . . . . 40 A CB . 52303 1 299 . 1 . 1 74 74 ALA N N 15 120.370 0.012 . 1 . . . . . 40 A N . 52303 1 300 . 1 . 1 75 75 PRO C C 13 177.694 0.000 . 1 . . . . . 41 P C . 52303 1 301 . 1 . 1 75 75 PRO CA C 13 61.947 0.000 . 1 . . . . . 41 P CA . 52303 1 302 . 1 . 1 75 75 PRO CB C 13 32.899 0.000 . 1 . . . . . 41 P CB . 52303 1 303 . 1 . 1 75 75 PRO N N 15 129.381 0.000 . 1 . . . . . 41 P N . 52303 1 304 . 1 . 1 76 76 LYS H H 1 8.775 0.004 . 1 . . . . . 42 K HN . 52303 1 305 . 1 . 1 76 76 LYS C C 13 177.524 0.000 . 1 . . . . . 42 K C . 52303 1 306 . 1 . 1 76 76 LYS CA C 13 60.968 0.004 . 1 . . . . . 42 K CA . 52303 1 307 . 1 . 1 76 76 LYS CB C 13 32.810 0.014 . 1 . . . . . 42 K CB . 52303 1 308 . 1 . 1 76 76 LYS N N 15 121.993 0.030 . 1 . . . . . 42 K N . 52303 1 309 . 1 . 1 77 77 ARG H H 1 8.733 0.003 . 1 . . . . . 43 R HN . 52303 1 310 . 1 . 1 77 77 ARG C C 13 178.650 0.000 . 1 . . . . . 43 R C . 52303 1 311 . 1 . 1 77 77 ARG CA C 13 59.659 0.035 . 1 . . . . . 43 R CA . 52303 1 312 . 1 . 1 77 77 ARG CB C 13 29.782 0.015 . 1 . . . . . 43 R CB . 52303 1 313 . 1 . 1 77 77 ARG N N 15 116.463 0.022 . 1 . . . . . 43 R N . 52303 1 314 . 1 . 1 78 78 GLU H H 1 7.094 0.005 . 1 . . . . . 44 E HN . 52303 1 315 . 1 . 1 78 78 GLU C C 13 178.724 0.000 . 1 . . . . . 44 E C . 52303 1 316 . 1 . 1 78 78 GLU CA C 13 59.041 0.022 . 1 . . . . . 44 E CA . 52303 1 317 . 1 . 1 78 78 GLU CB C 13 30.283 0.047 . 1 . . . . . 44 E CB . 52303 1 318 . 1 . 1 78 78 GLU N N 15 119.087 0.050 . 1 . . . . . 44 E N . 52303 1 319 . 1 . 1 79 79 LEU H H 1 8.085 0.003 . 1 . . . . . 45 L HN . 52303 1 320 . 1 . 1 79 79 LEU C C 13 178.408 0.000 . 1 . . . . . 45 L C . 52303 1 321 . 1 . 1 79 79 LEU CA C 13 58.181 0.016 . 1 . . . . . 45 L CA . 52303 1 322 . 1 . 1 79 79 LEU CB C 13 42.257 0.023 . 1 . . . . . 45 L CB . 52303 1 323 . 1 . 1 79 79 LEU N N 15 118.874 0.036 . 1 . . . . . 45 L N . 52303 1 324 . 1 . 1 80 80 ASN H H 1 8.731 0.001 . 1 . . . . . 46 N HN . 52303 1 325 . 1 . 1 80 80 ASN C C 13 177.608 0.000 . 1 . . . . . 46 N C . 52303 1 326 . 1 . 1 80 80 ASN CA C 13 56.015 0.032 . 1 . . . . . 46 N CA . 52303 1 327 . 1 . 1 80 80 ASN CB C 13 38.192 0.006 . 1 . . . . . 46 N CB . 52303 1 328 . 1 . 1 80 80 ASN N N 15 116.005 0.014 . 1 . . . . . 46 N N . 52303 1 329 . 1 . 1 81 81 GLN H H 1 7.420 0.003 . 1 . . . . . 47 Q HN . 52303 1 330 . 1 . 1 81 81 GLN C C 13 178.995 0.000 . 1 . . . . . 47 Q C . 52303 1 331 . 1 . 1 81 81 GLN CA C 13 59.398 0.024 . 1 . . . . . 47 Q CA . 52303 1 332 . 1 . 1 81 81 GLN CB C 13 28.504 0.037 . 1 . . . . . 47 Q CB . 52303 1 333 . 1 . 1 81 81 GLN N N 15 117.517 0.027 . 1 . . . . . 47 Q N . 52303 1 334 . 1 . 1 82 82 VAL H H 1 7.488 0.005 . 1 . . . . . 48 V HN . 52303 1 335 . 1 . 1 82 82 VAL C C 13 177.785 0.000 . 1 . . . . . 48 V C . 52303 1 336 . 1 . 1 82 82 VAL CA C 13 66.529 0.006 . 1 . . . . . 48 V CA . 52303 1 337 . 1 . 1 82 82 VAL CB C 13 32.009 0.033 . 1 . . . . . 48 V CB . 52303 1 338 . 1 . 1 82 82 VAL N N 15 120.065 0.025 . 1 . . . . . 48 V N . 52303 1 339 . 1 . 1 83 83 LEU H H 1 8.772 0.004 . 1 . . . . . 49 L HN . 52303 1 340 . 1 . 1 83 83 LEU C C 13 178.773 0.000 . 1 . . . . . 49 L C . 52303 1 341 . 1 . 1 83 83 LEU CA C 13 58.487 0.011 . 1 . . . . . 49 L CA . 52303 1 342 . 1 . 1 83 83 LEU CB C 13 40.446 0.013 . 1 . . . . . 49 L CB . 52303 1 343 . 1 . 1 83 83 LEU N N 15 122.067 0.013 . 1 . . . . . 49 L N . 52303 1 344 . 1 . 1 84 84 TYR H H 1 8.254 0.004 . 1 . . . . . 50 Y HN . 52303 1 345 . 1 . 1 84 84 TYR C C 13 179.271 0.000 . 1 . . . . . 50 Y C . 52303 1 346 . 1 . 1 84 84 TYR CA C 13 63.450 0.019 . 1 . . . . . 50 Y CA . 52303 1 347 . 1 . 1 84 84 TYR CB C 13 37.264 0.015 . 1 . . . . . 50 Y CB . 52303 1 348 . 1 . 1 84 84 TYR N N 15 115.185 0.049 . 1 . . . . . 50 Y N . 52303 1 349 . 1 . 1 85 85 ARG H H 1 7.432 0.005 . 1 . . . . . 51 R HN . 52303 1 350 . 1 . 1 85 85 ARG C C 13 178.609 0.000 . 1 . . . . . 51 R C . 52303 1 351 . 1 . 1 85 85 ARG CA C 13 60.157 0.091 . 1 . . . . . 51 R CA . 52303 1 352 . 1 . 1 85 85 ARG CB C 13 29.083 0.025 . 1 . . . . . 51 R CB . 52303 1 353 . 1 . 1 85 85 ARG N N 15 122.953 0.035 . 1 . . . . . 51 R N . 52303 1 354 . 1 . 1 86 86 MET H H 1 8.691 0.003 . 1 . . . . . 52 M HN . 52303 1 355 . 1 . 1 86 86 MET C C 13 178.746 0.000 . 1 . . . . . 52 M C . 52303 1 356 . 1 . 1 86 86 MET CA C 13 59.482 0.050 . 1 . . . . . 52 M CA . 52303 1 357 . 1 . 1 86 86 MET CB C 13 35.309 0.042 . 1 . . . . . 52 M CB . 52303 1 358 . 1 . 1 86 86 MET N N 15 118.981 0.033 . 1 . . . . . 52 M N . 52303 1 359 . 1 . 1 87 87 LYS H H 1 8.859 0.003 . 1 . . . . . 53 K HN . 52303 1 360 . 1 . 1 87 87 LYS C C 13 180.952 0.000 . 1 . . . . . 53 K C . 52303 1 361 . 1 . 1 87 87 LYS CA C 13 59.122 0.004 . 1 . . . . . 53 K CA . 52303 1 362 . 1 . 1 87 87 LYS CB C 13 33.207 0.007 . 1 . . . . . 53 K CB . 52303 1 363 . 1 . 1 87 87 LYS N N 15 123.109 0.046 . 1 . . . . . 53 K N . 52303 1 364 . 1 . 1 88 88 LYS H H 1 7.708 0.001 . 1 . . . . . 54 K HN . 52303 1 365 . 1 . 1 88 88 LYS C C 13 178.106 0.000 . 1 . . . . . 54 K C . 52303 1 366 . 1 . 1 88 88 LYS CA C 13 59.242 0.007 . 1 . . . . . 54 K CA . 52303 1 367 . 1 . 1 88 88 LYS CB C 13 31.964 0.020 . 1 . . . . . 54 K CB . 52303 1 368 . 1 . 1 88 88 LYS N N 15 123.520 0.047 . 1 . . . . . 54 K N . 52303 1 369 . 1 . 1 89 89 GLU H H 1 7.543 0.006 . 1 . . . . . 55 E HN . 52303 1 370 . 1 . 1 89 89 GLU C C 13 175.063 0.000 . 1 . . . . . 55 E C . 52303 1 371 . 1 . 1 89 89 GLU CA C 13 56.021 0.016 . 1 . . . . . 55 E CA . 52303 1 372 . 1 . 1 89 89 GLU CB C 13 30.069 0.014 . 1 . . . . . 55 E CB . 52303 1 373 . 1 . 1 89 89 GLU N N 15 116.043 0.033 . 1 . . . . . 55 E N . 52303 1 374 . 1 . 1 90 90 LEU H H 1 7.988 0.007 . 1 . . . . . 56 L HN . 52303 1 375 . 1 . 1 90 90 LEU C C 13 176.508 0.000 . 1 . . . . . 56 L C . 52303 1 376 . 1 . 1 90 90 LEU CA C 13 56.313 0.013 . 1 . . . . . 56 L CA . 52303 1 377 . 1 . 1 90 90 LEU CB C 13 37.897 0.044 . 1 . . . . . 56 L CB . 52303 1 378 . 1 . 1 90 90 LEU N N 15 113.857 0.129 . 1 . . . . . 56 L N . 52303 1 379 . 1 . 1 91 91 LYS H H 1 8.354 0.008 . 1 . . . . . 57 K HN . 52303 1 380 . 1 . 1 91 91 LYS C C 13 177.943 0.000 . 1 . . . . . 57 K C . 52303 1 381 . 1 . 1 91 91 LYS CA C 13 57.852 0.003 . 1 . . . . . 57 K CA . 52303 1 382 . 1 . 1 91 91 LYS CB C 13 35.997 0.011 . 1 . . . . . 57 K CB . 52303 1 383 . 1 . 1 91 91 LYS N N 15 115.279 0.073 . 1 . . . . . 57 K N . 52303 1 384 . 1 . 1 92 92 VAL H H 1 7.063 0.008 . 1 . . . . . 58 V HN . 52303 1 385 . 1 . 1 92 92 VAL C C 13 174.376 0.000 . 1 . . . . . 58 V C . 52303 1 386 . 1 . 1 92 92 VAL CA C 13 58.456 0.021 . 1 . . . . . 58 V CA . 52303 1 387 . 1 . 1 92 92 VAL CB C 13 36.405 0.014 . 1 . . . . . 58 V CB . 52303 1 388 . 1 . 1 92 92 VAL N N 15 107.072 0.037 . 1 . . . . . 58 V N . 52303 1 389 . 1 . 1 93 93 SER H H 1 9.117 0.006 . 1 . . . . . 59 S HN . 52303 1 390 . 1 . 1 93 93 SER C C 13 171.442 0.000 . 1 . . . . . 59 S C . 52303 1 391 . 1 . 1 93 93 SER CA C 13 57.548 0.027 . 1 . . . . . 59 S CA . 52303 1 392 . 1 . 1 93 93 SER CB C 13 66.337 0.000 . 1 . . . . . 59 S CB . 52303 1 393 . 1 . 1 93 93 SER N N 15 114.546 0.112 . 1 . . . . . 59 S N . 52303 1 394 . 1 . 1 94 94 LEU H H 1 8.115 0.007 . 1 . . . . . 60 L HN . 52303 1 395 . 1 . 1 94 94 LEU C C 13 177.609 0.000 . 1 . . . . . 60 L C . 52303 1 396 . 1 . 1 94 94 LEU CA C 13 53.459 0.011 . 1 . . . . . 60 L CA . 52303 1 397 . 1 . 1 94 94 LEU CB C 13 43.226 0.039 . 1 . . . . . 60 L CB . 52303 1 398 . 1 . 1 94 94 LEU N N 15 125.642 0.051 . 1 . . . . . 60 L N . 52303 1 399 . 1 . 1 95 95 THR H H 1 8.212 0.003 . 1 . . . . . 61 T HN . 52303 1 400 . 1 . 1 95 95 THR C C 13 174.613 0.000 . 1 . . . . . 61 T C . 52303 1 401 . 1 . 1 95 95 THR CA C 13 63.117 0.003 . 1 . . . . . 61 T CA . 52303 1 402 . 1 . 1 95 95 THR CB C 13 68.192 0.013 . 1 . . . . . 61 T CB . 52303 1 403 . 1 . 1 95 95 THR N N 15 118.736 0.165 . 1 . . . . . 61 T N . 52303 1 404 . 1 . 1 96 96 SER H H 1 8.071 0.002 . 1 . . . . . 62 S HN . 52303 1 405 . 1 . 1 96 96 SER C C 13 170.091 0.008 . 1 . . . . . 62 S C . 52303 1 406 . 1 . 1 96 96 SER CA C 13 57.537 0.000 . 1 . . . . . 62 S CA . 52303 1 407 . 1 . 1 96 96 SER CB C 13 62.177 0.000 . 1 . . . . . 62 S CB . 52303 1 408 . 1 . 1 96 96 SER N N 15 118.165 0.028 . 1 . . . . . 62 S N . 52303 1 409 . 1 . 1 97 97 PRO C C 13 177.610 0.000 . 1 . . . . . 63 P C . 52303 1 410 . 1 . 1 97 97 PRO CA C 13 66.137 0.000 . 1 . . . . . 63 P CA . 52303 1 411 . 1 . 1 97 97 PRO CB C 13 30.931 0.000 . 1 . . . . . 63 P CB . 52303 1 412 . 1 . 1 97 97 PRO N N 15 133.777 0.000 . 1 . . . . . 63 P N . 52303 1 413 . 1 . 1 98 98 ALA H H 1 8.874 0.009 . 1 . . . . . 64 A HN . 52303 1 414 . 1 . 1 98 98 ALA C C 13 174.557 0.000 . 1 . . . . . 64 A C . 52303 1 415 . 1 . 1 98 98 ALA CA C 13 53.154 0.005 . 1 . . . . . 64 A CA . 52303 1 416 . 1 . 1 98 98 ALA CB C 13 18.833 0.003 . 1 . . . . . 64 A CB . 52303 1 417 . 1 . 1 98 98 ALA N N 15 125.855 0.026 . 1 . . . . . 64 A N . 52303 1 418 . 1 . 1 99 99 THR H H 1 7.733 0.004 . 1 . . . . . 65 T HN . 52303 1 419 . 1 . 1 99 99 THR C C 13 171.702 0.000 . 1 . . . . . 65 T C . 52303 1 420 . 1 . 1 99 99 THR CA C 13 63.517 0.011 . 1 . . . . . 65 T CA . 52303 1 421 . 1 . 1 99 99 THR CB C 13 69.928 0.006 . 1 . . . . . 65 T CB . 52303 1 422 . 1 . 1 99 99 THR N N 15 115.662 0.024 . 1 . . . . . 65 T N . 52303 1 423 . 1 . 1 100 100 TRP H H 1 8.748 0.001 . 1 . . . . . 66 W HN . 52303 1 424 . 1 . 1 100 100 TRP HE1 H 1 10.157 0.011 . 1 . . . . . 66 W HE1 . 52303 1 425 . 1 . 1 100 100 TRP C C 13 174.996 0.000 . 1 . . . . . 66 W C . 52303 1 426 . 1 . 1 100 100 TRP CA C 13 56.353 0.000 . 1 . . . . . 66 W CA . 52303 1 427 . 1 . 1 100 100 TRP CB C 13 33.442 0.009 . 1 . . . . . 66 W CB . 52303 1 428 . 1 . 1 100 100 TRP N N 15 126.433 0.016 . 1 . . . . . 66 W N . 52303 1 429 . 1 . 1 100 100 TRP NE1 N 15 128.383 0.042 . 1 . . . . . 66 W NE1 . 52303 1 430 . 1 . 1 101 101 CYS H H 1 9.433 0.002 . 1 . . . . . 67 C HN . 52303 1 431 . 1 . 1 101 101 CYS C C 13 173.055 0.000 . 1 . . . . . 67 C C . 52303 1 432 . 1 . 1 101 101 CYS CA C 13 56.340 0.000 . 1 . . . . . 67 C CA . 52303 1 433 . 1 . 1 101 101 CYS CB C 13 32.091 0.002 . 1 . . . . . 67 C CB . 52303 1 434 . 1 . 1 101 101 CYS N N 15 117.581 0.086 . 1 . . . . . 67 C N . 52303 1 435 . 1 . 1 102 102 LEU H H 1 8.375 0.006 . 1 . . . . . 68 L HN . 52303 1 436 . 1 . 1 102 102 LEU C C 13 177.169 0.000 . 1 . . . . . 68 L C . 52303 1 437 . 1 . 1 102 102 LEU CA C 13 56.563 0.025 . 1 . . . . . 68 L CA . 52303 1 438 . 1 . 1 102 102 LEU CB C 13 43.178 0.006 . 1 . . . . . 68 L CB . 52303 1 439 . 1 . 1 102 102 LEU N N 15 123.971 0.054 . 1 . . . . . 68 L N . 52303 1 440 . 1 . 1 103 103 GLY H H 1 7.943 0.002 . 1 . . . . . 69 G HN . 52303 1 441 . 1 . 1 103 103 GLY C C 13 173.202 0.000 . 1 . . . . . 69 G C . 52303 1 442 . 1 . 1 103 103 GLY CA C 13 44.656 0.008 . 1 . . . . . 69 G CA . 52303 1 443 . 1 . 1 103 103 GLY N N 15 112.153 0.059 . 1 . . . . . 69 G N . 52303 1 444 . 1 . 1 104 104 GLY H H 1 8.029 0.181 . 1 . . . . . 70 G HN . 52303 1 445 . 1 . 1 104 104 GLY C C 13 173.913 0.000 . 1 . . . . . 70 G C . 52303 1 446 . 1 . 1 104 104 GLY CA C 13 45.284 0.012 . 1 . . . . . 70 G CA . 52303 1 447 . 1 . 1 104 104 GLY N N 15 108.859 1.770 . 1 . . . . . 70 G N . 52303 1 448 . 1 . 1 105 105 THR H H 1 7.977 0.002 . 1 . . . . . 71 T HN . 52303 1 449 . 1 . 1 105 105 THR C C 13 173.735 0.000 . 1 . . . . . 71 T C . 52303 1 450 . 1 . 1 105 105 THR CA C 13 61.606 0.002 . 1 . . . . . 71 T CA . 52303 1 451 . 1 . 1 105 105 THR CB C 13 70.359 0.001 . 1 . . . . . 71 T CB . 52303 1 452 . 1 . 1 105 105 THR N N 15 113.290 0.021 . 1 . . . . . 71 T N . 52303 1 453 . 1 . 1 106 106 ASP H H 1 8.432 0.002 . 1 . . . . . 72 D HN . 52303 1 454 . 1 . 1 106 106 ASP C C 13 174.859 0.014 . 1 . . . . . 72 D C . 52303 1 455 . 1 . 1 106 106 ASP CA C 13 52.550 0.000 . 1 . . . . . 72 D CA . 52303 1 456 . 1 . 1 106 106 ASP CB C 13 41.272 0.000 . 1 . . . . . 72 D CB . 52303 1 457 . 1 . 1 106 106 ASP N N 15 124.253 0.009 . 1 . . . . . 72 D N . 52303 1 458 . 1 . 1 107 107 PRO C C 13 177.289 0.000 . 1 . . . . . 73 P C . 52303 1 459 . 1 . 1 107 107 PRO CA C 13 63.816 0.000 . 1 . . . . . 73 P CA . 52303 1 460 . 1 . 1 107 107 PRO CB C 13 32.204 0.000 . 1 . . . . . 73 P CB . 52303 1 461 . 1 . 1 107 107 PRO N N 15 137.344 0.000 . 1 . . . . . 73 P N . 52303 1 462 . 1 . 1 108 108 GLU H H 1 8.454 0.002 . 1 . . . . . 74 E HN . 52303 1 463 . 1 . 1 108 108 GLU C C 13 177.128 0.000 . 1 . . . . . 74 E C . 52303 1 464 . 1 . 1 108 108 GLU CA C 13 56.844 0.007 . 1 . . . . . 74 E CA . 52303 1 465 . 1 . 1 108 108 GLU CB C 13 30.089 0.001 . 1 . . . . . 74 E CB . 52303 1 466 . 1 . 1 108 108 GLU N N 15 119.690 0.015 . 1 . . . . . 74 E N . 52303 1 467 . 1 . 1 109 109 GLY H H 1 8.164 0.003 . 1 . . . . . 75 G HN . 52303 1 468 . 1 . 1 109 109 GLY C C 13 174.000 0.000 . 1 . . . . . 75 G C . 52303 1 469 . 1 . 1 109 109 GLY CA C 13 45.457 0.006 . 1 . . . . . 75 G CA . 52303 1 470 . 1 . 1 109 109 GLY N N 15 109.068 0.008 . 1 . . . . . 75 G N . 52303 1 471 . 1 . 1 110 110 GLU H H 1 8.250 0.003 . 1 . . . . . 76 E HN . 52303 1 472 . 1 . 1 110 110 GLU C C 13 176.686 0.000 . 1 . . . . . 76 E C . 52303 1 473 . 1 . 1 110 110 GLU CA C 13 56.529 0.010 . 1 . . . . . 76 E CA . 52303 1 474 . 1 . 1 110 110 GLU CB C 13 30.755 0.011 . 1 . . . . . 76 E CB . 52303 1 475 . 1 . 1 110 110 GLU N N 15 120.393 0.031 . 1 . . . . . 76 E N . 52303 1 476 . 1 . 1 111 111 GLY H H 1 8.327 0.002 . 1 . . . . . 77 G HN . 52303 1 477 . 1 . 1 111 111 GLY C C 13 171.756 0.012 . 1 . . . . . 77 G C . 52303 1 478 . 1 . 1 111 111 GLY CA C 13 44.706 0.000 . 1 . . . . . 77 G CA . 52303 1 479 . 1 . 1 111 111 GLY N N 15 109.943 0.013 . 1 . . . . . 77 G N . 52303 1 480 . 1 . 1 112 112 PRO C C 13 177.234 0.000 . 1 . . . . . 78 P C . 52303 1 481 . 1 . 1 112 112 PRO CA C 13 63.300 0.000 . 1 . . . . . 78 P CA . 52303 1 482 . 1 . 1 112 112 PRO CB C 13 32.176 0.000 . 1 . . . . . 78 P CB . 52303 1 483 . 1 . 1 112 112 PRO N N 15 134.375 0.000 . 1 . . . . . 78 P N . 52303 1 484 . 1 . 1 113 113 ALA H H 1 8.398 0.001 . 1 . . . . . 79 A HN . 52303 1 485 . 1 . 1 113 113 ALA C C 13 178.149 0.000 . 1 . . . . . 79 A C . 52303 1 486 . 1 . 1 113 113 ALA CA C 13 53.039 0.001 . 1 . . . . . 79 A CA . 52303 1 487 . 1 . 1 113 113 ALA CB C 13 19.137 0.005 . 1 . . . . . 79 A CB . 52303 1 488 . 1 . 1 113 113 ALA N N 15 124.432 0.021 . 1 . . . . . 79 A N . 52303 1 489 . 1 . 1 114 114 GLU H H 1 8.368 0.002 . 1 . . . . . 80 E HN . 52303 1 490 . 1 . 1 114 114 GLU C C 13 176.735 0.000 . 1 . . . . . 80 E C . 52303 1 491 . 1 . 1 114 114 GLU CA C 13 56.967 0.000 . 1 . . . . . 80 E CA . 52303 1 492 . 1 . 1 114 114 GLU CB C 13 30.095 0.011 . 1 . . . . . 80 E CB . 52303 1 493 . 1 . 1 114 114 GLU N N 15 119.293 0.026 . 1 . . . . . 80 E N . 52303 1 494 . 1 . 1 115 115 LEU H H 1 8.080 0.002 . 1 . . . . . 81 L HN . 52303 1 495 . 1 . 1 115 115 LEU C C 13 177.168 0.000 . 1 . . . . . 81 L C . 52303 1 496 . 1 . 1 115 115 LEU CA C 13 55.368 0.018 . 1 . . . . . 81 L CA . 52303 1 497 . 1 . 1 115 115 LEU CB C 13 42.444 0.017 . 1 . . . . . 81 L CB . 52303 1 498 . 1 . 1 115 115 LEU N N 15 122.551 0.016 . 1 . . . . . 81 L N . 52303 1 499 . 1 . 1 116 116 ALA H H 1 8.130 0.002 . 1 . . . . . 82 A HN . 52303 1 500 . 1 . 1 116 116 ALA C C 13 177.614 0.000 . 1 . . . . . 82 A C . 52303 1 501 . 1 . 1 116 116 ALA CA C 13 52.618 0.004 . 1 . . . . . 82 A CA . 52303 1 502 . 1 . 1 116 116 ALA CB C 13 19.073 0.001 . 1 . . . . . 82 A CB . 52303 1 503 . 1 . 1 116 116 ALA N N 15 124.159 0.023 . 1 . . . . . 82 A N . 52303 1 504 . 1 . 1 117 117 LEU H H 1 8.035 0.002 . 1 . . . . . 83 L HN . 52303 1 505 . 1 . 1 117 117 LEU C C 13 177.446 0.000 . 1 . . . . . 83 L C . 52303 1 506 . 1 . 1 117 117 LEU CA C 13 55.193 0.025 . 1 . . . . . 83 L CA . 52303 1 507 . 1 . 1 117 117 LEU CB C 13 42.487 0.015 . 1 . . . . . 83 L CB . 52303 1 508 . 1 . 1 117 117 LEU N N 15 120.617 0.013 . 1 . . . . . 83 L N . 52303 1 509 . 1 . 1 118 118 SER H H 1 8.149 0.003 . 1 . . . . . 84 S HN . 52303 1 510 . 1 . 1 118 118 SER C C 13 174.145 0.000 . 1 . . . . . 84 S C . 52303 1 511 . 1 . 1 118 118 SER CA C 13 58.312 0.038 . 1 . . . . . 84 S CA . 52303 1 512 . 1 . 1 118 118 SER CB C 13 64.085 0.000 . 1 . . . . . 84 S CB . 52303 1 513 . 1 . 1 118 118 SER N N 15 115.879 0.014 . 1 . . . . . 84 S N . 52303 1 514 . 1 . 1 119 119 SER H H 1 8.248 0.003 . 1 . . . . . 85 S HN . 52303 1 515 . 1 . 1 119 119 SER C C 13 172.839 0.022 . 1 . . . . . 85 S C . 52303 1 516 . 1 . 1 119 119 SER CA C 13 56.503 0.000 . 1 . . . . . 85 S CA . 52303 1 517 . 1 . 1 119 119 SER CB C 13 63.683 0.000 . 1 . . . . . 85 S CB . 52303 1 518 . 1 . 1 119 119 SER N N 15 118.459 0.020 . 1 . . . . . 85 S N . 52303 1 519 . 1 . 1 120 120 PRO C C 13 176.756 0.000 . 1 . . . . . 86 P C . 52303 1 520 . 1 . 1 120 120 PRO CA C 13 63.646 0.000 . 1 . . . . . 86 P CA . 52303 1 521 . 1 . 1 120 120 PRO CB C 13 32.019 0.000 . 1 . . . . . 86 P CB . 52303 1 522 . 1 . 1 120 120 PRO N N 15 138.402 0.000 . 1 . . . . . 86 P N . 52303 1 523 . 1 . 1 121 121 ALA H H 1 8.231 0.002 . 1 . . . . . 87 A HN . 52303 1 524 . 1 . 1 121 121 ALA C C 13 177.740 0.000 . 1 . . . . . 87 A C . 52303 1 525 . 1 . 1 121 121 ALA CA C 13 52.680 0.007 . 1 . . . . . 87 A CA . 52303 1 526 . 1 . 1 121 121 ALA CB C 13 19.321 0.000 . 1 . . . . . 87 A CB . 52303 1 527 . 1 . 1 121 121 ALA N N 15 123.239 0.030 . 1 . . . . . 87 A N . 52303 1 528 . 1 . 1 122 122 GLU H H 1 8.173 0.002 . 1 . . . . . 88 E HN . 52303 1 529 . 1 . 1 122 122 GLU C C 13 176.136 0.000 . 1 . . . . . 88 E C . 52303 1 530 . 1 . 1 122 122 GLU CA C 13 56.417 0.002 . 1 . . . . . 88 E CA . 52303 1 531 . 1 . 1 122 122 GLU CB C 13 30.570 0.000 . 1 . . . . . 88 E CB . 52303 1 532 . 1 . 1 122 122 GLU N N 15 119.444 0.006 . 1 . . . . . 88 E N . 52303 1 533 . 1 . 1 123 123 ARG H H 1 8.230 0.002 . 1 . . . . . 89 R HN . 52303 1 534 . 1 . 1 123 123 ARG C C 13 174.146 0.008 . 1 . . . . . 89 R C . 52303 1 535 . 1 . 1 123 123 ARG CA C 13 54.039 0.000 . 1 . . . . . 89 R CA . 52303 1 536 . 1 . 1 123 123 ARG CB C 13 30.350 0.000 . 1 . . . . . 89 R CB . 52303 1 537 . 1 . 1 123 123 ARG N N 15 122.758 0.025 . 1 . . . . . 89 R N . 52303 1 538 . 1 . 1 124 124 PRO C C 13 177.036 0.000 . 1 . . . . . 90 P C . 52303 1 539 . 1 . 1 124 124 PRO CA C 13 63.358 0.000 . 1 . . . . . 90 P CA . 52303 1 540 . 1 . 1 124 124 PRO CB C 13 32.132 0.000 . 1 . . . . . 90 P CB . 52303 1 541 . 1 . 1 124 124 PRO N N 15 136.894 0.000 . 1 . . . . . 90 P N . 52303 1 542 . 1 . 1 125 125 GLN H H 1 8.485 0.002 . 1 . . . . . 91 Q HN . 52303 1 543 . 1 . 1 125 125 GLN C C 13 176.043 0.000 . 1 . . . . . 91 Q C . 52303 1 544 . 1 . 1 125 125 GLN CA C 13 56.017 0.000 . 1 . . . . . 91 Q CA . 52303 1 545 . 1 . 1 125 125 GLN CB C 13 29.526 0.000 . 1 . . . . . 91 Q CB . 52303 1 546 . 1 . 1 125 125 GLN N N 15 120.390 0.020 . 1 . . . . . 91 Q N . 52303 1 547 . 1 . 1 126 126 GLN H H 1 8.355 0.001 . 1 . . . . . 92 Q HN . 52303 1 548 . 1 . 1 126 126 GLN C C 13 175.690 0.000 . 1 . . . . . 92 Q C . 52303 1 549 . 1 . 1 126 126 GLN CA C 13 55.957 0.000 . 1 . . . . . 92 Q CA . 52303 1 550 . 1 . 1 126 126 GLN CB C 13 29.541 0.000 . 1 . . . . . 92 Q CB . 52303 1 551 . 1 . 1 126 126 GLN N N 15 121.244 0.007 . 1 . . . . . 92 Q N . 52303 1 552 . 1 . 1 127 127 HIS H H 1 8.396 0.001 . 1 . . . . . 93 H HN . 52303 1 553 . 1 . 1 127 127 HIS CA C 13 55.696 0.006 . 1 . . . . . 93 H CA . 52303 1 554 . 1 . 1 127 127 HIS CB C 13 30.169 0.021 . 1 . . . . . 93 H CB . 52303 1 555 . 1 . 1 127 127 HIS N N 15 120.177 0.006 . 1 . . . . . 93 H N . 52303 1 556 . 1 . 1 128 128 ALA H H 1 8.292 0.002 . 1 . . . . . 94 A HN . 52303 1 557 . 1 . 1 128 128 ALA C C 13 177.186 0.000 . 1 . . . . . 94 A C . 52303 1 558 . 1 . 1 128 128 ALA CA C 13 52.476 0.000 . 1 . . . . . 94 A CA . 52303 1 559 . 1 . 1 128 128 ALA CB C 13 19.426 0.000 . 1 . . . . . 94 A CB . 52303 1 560 . 1 . 1 128 128 ALA N N 15 125.463 0.015 . 1 . . . . . 94 A N . 52303 1 561 . 1 . 1 129 129 ALA H H 1 8.329 0.002 . 1 . . . . . 95 A HN . 52303 1 562 . 1 . 1 129 129 ALA C C 13 177.767 0.000 . 1 . . . . . 95 A C . 52303 1 563 . 1 . 1 129 129 ALA CA C 13 52.525 0.008 . 1 . . . . . 95 A CA . 52303 1 564 . 1 . 1 129 129 ALA CB C 13 19.420 0.000 . 1 . . . . . 95 A CB . 52303 1 565 . 1 . 1 129 129 ALA N N 15 123.523 0.018 . 1 . . . . . 95 A N . 52303 1 566 . 1 . 1 130 130 THR H H 1 8.093 0.004 . 1 . . . . . 96 T HN . 52303 1 567 . 1 . 1 130 130 THR C C 13 174.212 0.000 . 1 . . . . . 96 T C . 52303 1 568 . 1 . 1 130 130 THR CA C 13 61.912 0.008 . 1 . . . . . 96 T CA . 52303 1 569 . 1 . 1 130 130 THR CB C 13 69.958 0.006 . 1 . . . . . 96 T CB . 52303 1 570 . 1 . 1 130 130 THR N N 15 113.735 0.011 . 1 . . . . . 96 T N . 52303 1 571 . 1 . 1 131 131 ILE H H 1 8.154 0.002 . 1 . . . . . 97 I HN . 52303 1 572 . 1 . 1 131 131 ILE C C 13 174.450 0.000 . 1 . . . . . 97 I C . 52303 1 573 . 1 . 1 131 131 ILE CA C 13 58.666 0.000 . 1 . . . . . 97 I CA . 52303 1 574 . 1 . 1 131 131 ILE CB C 13 38.783 0.000 . 1 . . . . . 97 I CB . 52303 1 575 . 1 . 1 131 131 ILE N N 15 124.721 0.012 . 1 . . . . . 97 I N . 52303 1 576 . 1 . 1 132 132 PRO C C 13 176.666 0.000 . 1 . . . . . 98 P C . 52303 1 577 . 1 . 1 132 132 PRO CA C 13 63.179 0.000 . 1 . . . . . 98 P CA . 52303 1 578 . 1 . 1 132 132 PRO CB C 13 32.206 0.000 . 1 . . . . . 98 P CB . 52303 1 579 . 1 . 1 132 132 PRO N N 15 139.516 0.000 . 1 . . . . . 98 P N . 52303 1 580 . 1 . 1 133 133 GLU H H 1 8.436 0.001 . 1 . . . . . 99 E HN . 52303 1 581 . 1 . 1 133 133 GLU C C 13 176.456 0.000 . 1 . . . . . 99 E C . 52303 1 582 . 1 . 1 133 133 GLU CA C 13 56.645 0.002 . 1 . . . . . 99 E CA . 52303 1 583 . 1 . 1 133 133 GLU CB C 13 30.551 0.004 . 1 . . . . . 99 E CB . 52303 1 584 . 1 . 1 133 133 GLU N N 15 121.282 0.007 . 1 . . . . . 99 E N . 52303 1 585 . 1 . 1 134 134 THR H H 1 8.210 0.001 . 1 . . . . . 100 T HN . 52303 1 586 . 1 . 1 134 134 THR C C 13 172.836 0.019 . 1 . . . . . 100 T C . 52303 1 587 . 1 . 1 134 134 THR CA C 13 59.668 0.000 . 1 . . . . . 100 T CA . 52303 1 588 . 1 . 1 134 134 THR CB C 13 69.947 0.000 . 1 . . . . . 100 T CB . 52303 1 589 . 1 . 1 134 134 THR N N 15 117.380 0.010 . 1 . . . . . 100 T N . 52303 1 590 . 1 . 1 135 135 PRO C C 13 177.081 0.000 . 1 . . . . . 101 P C . 52303 1 591 . 1 . 1 135 135 PRO CA C 13 63.406 0.000 . 1 . . . . . 101 P CA . 52303 1 592 . 1 . 1 135 135 PRO CB C 13 32.273 0.000 . 1 . . . . . 101 P CB . 52303 1 593 . 1 . 1 135 135 PRO N N 15 138.013 0.000 . 1 . . . . . 101 P N . 52303 1 594 . 1 . 1 136 136 GLY H H 1 8.238 0.001 . 1 . . . . . 102 G HN . 52303 1 595 . 1 . 1 136 136 GLY C C 13 171.721 0.000 . 1 . . . . . 102 G C . 52303 1 596 . 1 . 1 136 136 GLY CA C 13 44.582 0.000 . 1 . . . . . 102 G CA . 52303 1 597 . 1 . 1 136 136 GLY N N 15 108.950 0.023 . 1 . . . . . 102 G N . 52303 1 598 . 1 . 1 137 137 PRO C C 13 176.306 0.000 . 1 . . . . . 103 P C . 52303 1 599 . 1 . 1 137 137 PRO CA C 13 63.017 0.000 . 1 . . . . . 103 P CA . 52303 1 600 . 1 . 1 137 137 PRO CB C 13 32.024 0.000 . 1 . . . . . 103 P CB . 52303 1 601 . 1 . 1 137 137 PRO N N 15 134.528 0.000 . 1 . . . . . 103 P N . 52303 1 602 . 1 . 1 138 138 GLN H H 1 8.165 0.003 . 1 . . . . . 104 Q HN . 52303 1 603 . 1 . 1 138 138 GLN C C 13 175.352 0.000 . 1 . . . . . 104 Q C . 52303 1 604 . 1 . 1 138 138 GLN CA C 13 55.514 0.098 . 1 . . . . . 104 Q CA . 52303 1 605 . 1 . 1 138 138 GLN CB C 13 29.529 0.030 . 1 . . . . . 104 Q CB . 52303 1 606 . 1 . 1 138 138 GLN N N 15 119.761 0.037 . 1 . . . . . 104 Q N . 52303 1 607 . 1 . 1 139 139 PHE H H 1 8.232 0.005 . 1 . . . . . 105 F HN . 52303 1 608 . 1 . 1 139 139 PHE C C 13 176.125 0.000 . 1 . . . . . 105 F C . 52303 1 609 . 1 . 1 139 139 PHE CA C 13 57.399 0.023 . 1 . . . . . 105 F CA . 52303 1 610 . 1 . 1 139 139 PHE CB C 13 40.337 0.002 . 1 . . . . . 105 F CB . 52303 1 611 . 1 . 1 139 139 PHE N N 15 120.682 0.040 . 1 . . . . . 105 F N . 52303 1 612 . 1 . 1 140 140 SER H H 1 8.987 0.010 . 1 . . . . . 106 S HN . 52303 1 613 . 1 . 1 140 140 SER C C 13 174.386 0.000 . 1 . . . . . 106 S C . 52303 1 614 . 1 . 1 140 140 SER CA C 13 59.390 0.000 . 1 . . . . . 106 S CA . 52303 1 615 . 1 . 1 140 140 SER CB C 13 64.090 0.012 . 1 . . . . . 106 S CB . 52303 1 616 . 1 . 1 140 140 SER N N 15 117.921 0.044 . 1 . . . . . 106 S N . 52303 1 617 . 1 . 1 141 141 GLN H H 1 7.765 0.027 . 1 . . . . . 107 Q HN . 52303 1 618 . 1 . 1 141 141 GLN C C 13 176.771 0.000 . 1 . . . . . 107 Q C . 52303 1 619 . 1 . 1 141 141 GLN CA C 13 55.914 0.024 . 1 . . . . . 107 Q CA . 52303 1 620 . 1 . 1 141 141 GLN CB C 13 30.379 0.001 . 1 . . . . . 107 Q CB . 52303 1 621 . 1 . 1 141 141 GLN N N 15 118.925 0.230 . 1 . . . . . 107 Q N . 52303 1 622 . 1 . 1 142 142 GLN H H 1 8.634 0.013 . 1 . . . . . 108 Q HN . 52303 1 623 . 1 . 1 142 142 GLN C C 13 177.292 0.000 . 1 . . . . . 108 Q C . 52303 1 624 . 1 . 1 142 142 GLN CA C 13 58.600 0.051 . 1 . . . . . 108 Q CA . 52303 1 625 . 1 . 1 142 142 GLN CB C 13 28.743 0.030 . 1 . . . . . 108 Q CB . 52303 1 626 . 1 . 1 142 142 GLN N N 15 122.681 0.145 . 1 . . . . . 108 Q N . 52303 1 627 . 1 . 1 143 143 ARG H H 1 8.387 0.019 . 1 . . . . . 109 R HN . 52303 1 628 . 1 . 1 143 143 ARG C C 13 178.160 0.000 . 1 . . . . . 109 R C . 52303 1 629 . 1 . 1 143 143 ARG CA C 13 58.846 0.010 . 1 . . . . . 109 R CA . 52303 1 630 . 1 . 1 143 143 ARG CB C 13 29.747 0.004 . 1 . . . . . 109 R CB . 52303 1 631 . 1 . 1 143 143 ARG N N 15 118.125 0.029 . 1 . . . . . 109 R N . 52303 1 632 . 1 . 1 144 144 GLU H H 1 7.405 0.015 . 1 . . . . . 110 E HN . 52303 1 633 . 1 . 1 144 144 GLU C C 13 178.275 0.000 . 1 . . . . . 110 E C . 52303 1 634 . 1 . 1 144 144 GLU CA C 13 59.354 0.000 . 1 . . . . . 110 E CA . 52303 1 635 . 1 . 1 144 144 GLU CB C 13 30.689 0.027 . 1 . . . . . 110 E CB . 52303 1 636 . 1 . 1 144 144 GLU N N 15 115.104 0.058 . 1 . . . . . 110 E N . 52303 1 637 . 1 . 1 145 145 GLU H H 1 7.279 0.011 . 1 . . . . . 111 E HN . 52303 1 638 . 1 . 1 145 145 GLU C C 13 178.534 0.000 . 1 . . . . . 111 E C . 52303 1 639 . 1 . 1 145 145 GLU CA C 13 59.394 0.008 . 1 . . . . . 111 E CA . 52303 1 640 . 1 . 1 145 145 GLU CB C 13 29.072 0.041 . 1 . . . . . 111 E CB . 52303 1 641 . 1 . 1 145 145 GLU N N 15 119.327 0.018 . 1 . . . . . 111 E N . 52303 1 642 . 1 . 1 146 146 ASP H H 1 8.338 0.004 . 1 . . . . . 112 D HN . 52303 1 643 . 1 . 1 146 146 ASP C C 13 179.794 0.000 . 1 . . . . . 112 D C . 52303 1 644 . 1 . 1 146 146 ASP CA C 13 57.516 0.014 . 1 . . . . . 112 D CA . 52303 1 645 . 1 . 1 146 146 ASP CB C 13 40.395 0.008 . 1 . . . . . 112 D CB . 52303 1 646 . 1 . 1 146 146 ASP N N 15 119.869 0.029 . 1 . . . . . 112 D N . 52303 1 647 . 1 . 1 147 147 ILE H H 1 8.222 0.002 . 1 . . . . . 113 I HN . 52303 1 648 . 1 . 1 147 147 ILE C C 13 176.524 0.000 . 1 . . . . . 113 I C . 52303 1 649 . 1 . 1 147 147 ILE CA C 13 66.488 0.000 . 1 . . . . . 113 I CA . 52303 1 650 . 1 . 1 147 147 ILE CB C 13 38.543 0.000 . 1 . . . . . 113 I CB . 52303 1 651 . 1 . 1 147 147 ILE N N 15 121.719 0.024 . 1 . . . . . 113 I N . 52303 1 652 . 1 . 1 148 148 TYR H H 1 8.314 0.007 . 1 . . . . . 114 Y HN . 52303 1 653 . 1 . 1 148 148 TYR C C 13 176.966 0.000 . 1 . . . . . 114 Y C . 52303 1 654 . 1 . 1 148 148 TYR CA C 13 62.803 0.005 . 1 . . . . . 114 Y CA . 52303 1 655 . 1 . 1 148 148 TYR CB C 13 40.045 0.005 . 1 . . . . . 114 Y CB . 52303 1 656 . 1 . 1 148 148 TYR N N 15 120.174 0.047 . 1 . . . . . 114 Y N . 52303 1 657 . 1 . 1 149 149 ARG H H 1 8.737 0.002 . 1 . . . . . 115 R HN . 52303 1 658 . 1 . 1 149 149 ARG C C 13 177.843 0.000 . 1 . . . . . 115 R C . 52303 1 659 . 1 . 1 149 149 ARG CA C 13 59.757 0.003 . 1 . . . . . 115 R CA . 52303 1 660 . 1 . 1 149 149 ARG CB C 13 30.194 0.027 . 1 . . . . . 115 R CB . 52303 1 661 . 1 . 1 149 149 ARG N N 15 117.063 0.026 . 1 . . . . . 115 R N . 52303 1 662 . 1 . 1 150 150 PHE H H 1 7.928 0.003 . 1 . . . . . 116 F HN . 52303 1 663 . 1 . 1 150 150 PHE C C 13 178.639 0.000 . 1 . . . . . 116 F C . 52303 1 664 . 1 . 1 150 150 PHE CA C 13 62.153 0.061 . 1 . . . . . 116 F CA . 52303 1 665 . 1 . 1 150 150 PHE CB C 13 39.110 0.002 . 1 . . . . . 116 F CB . 52303 1 666 . 1 . 1 150 150 PHE N N 15 118.481 0.036 . 1 . . . . . 116 F N . 52303 1 667 . 1 . 1 151 151 LEU H H 1 8.177 0.004 . 1 . . . . . 117 L HN . 52303 1 668 . 1 . 1 151 151 LEU C C 13 180.064 0.000 . 1 . . . . . 117 L C . 52303 1 669 . 1 . 1 151 151 LEU CA C 13 56.653 0.002 . 1 . . . . . 117 L CA . 52303 1 670 . 1 . 1 151 151 LEU CB C 13 42.223 0.002 . 1 . . . . . 117 L CB . 52303 1 671 . 1 . 1 151 151 LEU N N 15 119.653 0.056 . 1 . . . . . 117 L N . 52303 1 672 . 1 . 1 152 152 LYS H H 1 8.815 0.003 . 1 . . . . . 118 K HN . 52303 1 673 . 1 . 1 152 152 LYS C C 13 178.700 0.000 . 1 . . . . . 118 K C . 52303 1 674 . 1 . 1 152 152 LYS CA C 13 59.722 0.019 . 1 . . . . . 118 K CA . 52303 1 675 . 1 . 1 152 152 LYS CB C 13 32.004 0.037 . 1 . . . . . 118 K CB . 52303 1 676 . 1 . 1 152 152 LYS N N 15 124.086 0.029 . 1 . . . . . 118 K N . 52303 1 677 . 1 . 1 153 153 ASP H H 1 7.902 0.009 . 1 . . . . . 119 D HN . 52303 1 678 . 1 . 1 153 153 ASP C C 13 177.882 0.000 . 1 . . . . . 119 D C . 52303 1 679 . 1 . 1 153 153 ASP CA C 13 56.260 0.007 . 1 . . . . . 119 D CA . 52303 1 680 . 1 . 1 153 153 ASP CB C 13 41.202 0.009 . 1 . . . . . 119 D CB . 52303 1 681 . 1 . 1 153 153 ASP N N 15 116.122 0.033 . 1 . . . . . 119 D N . 52303 1 682 . 1 . 1 154 154 ASN H H 1 7.738 0.005 . 1 . . . . . 120 N HN . 52303 1 683 . 1 . 1 154 154 ASN C C 13 175.525 0.000 . 1 . . . . . 120 N C . 52303 1 684 . 1 . 1 154 154 ASN CA C 13 53.999 0.004 . 1 . . . . . 120 N CA . 52303 1 685 . 1 . 1 154 154 ASN CB C 13 40.137 0.011 . 1 . . . . . 120 N CB . 52303 1 686 . 1 . 1 154 154 ASN N N 15 114.300 0.019 . 1 . . . . . 120 N N . 52303 1 687 . 1 . 1 155 155 GLY H H 1 7.764 0.004 . 1 . . . . . 121 G HN . 52303 1 688 . 1 . 1 155 155 GLY C C 13 182.615 0.000 . 1 . . . . . 121 G C . 52303 1 689 . 1 . 1 155 155 GLY CA C 13 45.055 0.000 . 1 . . . . . 121 G CA . 52303 1 690 . 1 . 1 155 155 GLY N N 15 111.167 0.065 . 1 . . . . . 121 G N . 52303 1 691 . 1 . 1 156 156 PRO C C 13 178.912 0.000 . 1 . . . . . 122 P C . 52303 1 692 . 1 . 1 156 156 PRO CA C 13 62.820 0.000 . 1 . . . . . 122 P CA . 52303 1 693 . 1 . 1 156 156 PRO CB C 13 32.503 0.000 . 1 . . . . . 122 P CB . 52303 1 694 . 1 . 1 157 157 GLN H H 1 8.447 0.015 . 1 . . . . . 123 Q HN . 52303 1 695 . 1 . 1 157 157 GLN C C 13 176.443 0.000 . 1 . . . . . 123 Q C . 52303 1 696 . 1 . 1 157 157 GLN CA C 13 53.443 0.002 . 1 . . . . . 123 Q CA . 52303 1 697 . 1 . 1 157 157 GLN CB C 13 33.383 0.039 . 1 . . . . . 123 Q CB . 52303 1 698 . 1 . 1 157 157 GLN N N 15 118.784 0.029 . 1 . . . . . 123 Q N . 52303 1 699 . 1 . 1 158 158 ARG H H 1 9.128 0.003 . 1 . . . . . 124 R HN . 52303 1 700 . 1 . 1 158 158 ARG C C 13 177.347 0.000 . 1 . . . . . 124 R C . 52303 1 701 . 1 . 1 158 158 ARG CA C 13 56.596 0.000 . 1 . . . . . 124 R CA . 52303 1 702 . 1 . 1 158 158 ARG CB C 13 31.539 0.004 . 1 . . . . . 124 R CB . 52303 1 703 . 1 . 1 158 158 ARG N N 15 121.665 0.020 . 1 . . . . . 124 R N . 52303 1 704 . 1 . 1 159 159 ALA H H 1 9.725 0.004 . 1 . . . . . 125 A HN . 52303 1 705 . 1 . 1 159 159 ALA C C 13 178.970 0.000 . 1 . . . . . 125 A C . 52303 1 706 . 1 . 1 159 159 ALA CA C 13 56.399 0.046 . 1 . . . . . 125 A CA . 52303 1 707 . 1 . 1 159 159 ALA CB C 13 19.338 0.006 . 1 . . . . . 125 A CB . 52303 1 708 . 1 . 1 159 159 ALA N N 15 123.732 0.027 . 1 . . . . . 125 A N . 52303 1 709 . 1 . 1 160 160 LEU H H 1 8.800 0.004 . 1 . . . . . 126 L HN . 52303 1 710 . 1 . 1 160 160 LEU C C 13 177.348 0.000 . 1 . . . . . 126 L C . 52303 1 711 . 1 . 1 160 160 LEU CA C 13 58.648 0.005 . 1 . . . . . 126 L CA . 52303 1 712 . 1 . 1 160 160 LEU CB C 13 42.381 0.015 . 1 . . . . . 126 L CB . 52303 1 713 . 1 . 1 160 160 LEU N N 15 116.476 0.032 . 1 . . . . . 126 L N . 52303 1 714 . 1 . 1 161 161 VAL H H 1 6.756 0.003 . 1 . . . . . 127 V HN . 52303 1 715 . 1 . 1 161 161 VAL C C 13 178.603 0.000 . 1 . . . . . 127 V C . 52303 1 716 . 1 . 1 161 161 VAL CA C 13 65.838 0.003 . 1 . . . . . 127 V CA . 52303 1 717 . 1 . 1 161 161 VAL CB C 13 32.337 0.013 . 1 . . . . . 127 V CB . 52303 1 718 . 1 . 1 161 161 VAL N N 15 117.184 0.050 . 1 . . . . . 127 V N . 52303 1 719 . 1 . 1 162 162 ILE H H 1 7.481 0.002 . 1 . . . . . 128 I HN . 52303 1 720 . 1 . 1 162 162 ILE C C 13 176.585 0.000 . 1 . . . . . 128 I C . 52303 1 721 . 1 . 1 162 162 ILE CA C 13 65.116 0.000 . 1 . . . . . 128 I CA . 52303 1 722 . 1 . 1 162 162 ILE CB C 13 38.805 0.022 . 1 . . . . . 128 I CB . 52303 1 723 . 1 . 1 162 162 ILE N N 15 119.833 0.032 . 1 . . . . . 128 I N . 52303 1 724 . 1 . 1 163 163 ALA H H 1 8.289 0.002 . 1 . . . . . 129 A HN . 52303 1 725 . 1 . 1 163 163 ALA C C 13 179.988 0.000 . 1 . . . . . 129 A C . 52303 1 726 . 1 . 1 163 163 ALA CA C 13 55.707 0.001 . 1 . . . . . 129 A CA . 52303 1 727 . 1 . 1 163 163 ALA CB C 13 18.470 0.001 . 1 . . . . . 129 A CB . 52303 1 728 . 1 . 1 163 163 ALA N N 15 118.370 0.023 . 1 . . . . . 129 A N . 52303 1 729 . 1 . 1 164 164 GLN H H 1 8.008 0.002 . 1 . . . . . 130 Q HN . 52303 1 730 . 1 . 1 164 164 GLN C C 13 180.123 0.000 . 1 . . . . . 130 Q C . 52303 1 731 . 1 . 1 164 164 GLN CA C 13 58.739 0.003 . 1 . . . . . 130 Q CA . 52303 1 732 . 1 . 1 164 164 GLN CB C 13 27.897 0.009 . 1 . . . . . 130 Q CB . 52303 1 733 . 1 . 1 164 164 GLN N N 15 115.788 0.015 . 1 . . . . . 130 Q N . 52303 1 734 . 1 . 1 165 165 ALA H H 1 7.967 0.007 . 1 . . . . . 131 A HN . 52303 1 735 . 1 . 1 165 165 ALA C C 13 179.045 0.000 . 1 . . . . . 131 A C . 52303 1 736 . 1 . 1 165 165 ALA CA C 13 54.681 0.001 . 1 . . . . . 131 A CA . 52303 1 737 . 1 . 1 165 165 ALA CB C 13 18.011 0.017 . 1 . . . . . 131 A CB . 52303 1 738 . 1 . 1 165 165 ALA N N 15 124.189 0.029 . 1 . . . . . 131 A N . 52303 1 739 . 1 . 1 166 166 LEU H H 1 7.230 0.001 . 1 . . . . . 132 L HN . 52303 1 740 . 1 . 1 166 166 LEU C C 13 177.114 0.000 . 1 . . . . . 132 L C . 52303 1 741 . 1 . 1 166 166 LEU CA C 13 54.399 0.020 . 1 . . . . . 132 L CA . 52303 1 742 . 1 . 1 166 166 LEU CB C 13 41.745 0.037 . 1 . . . . . 132 L CB . 52303 1 743 . 1 . 1 166 166 LEU N N 15 116.655 0.032 . 1 . . . . . 132 L N . 52303 1 744 . 1 . 1 167 167 GLY H H 1 7.686 0.002 . 1 . . . . . 133 G HN . 52303 1 745 . 1 . 1 167 167 GLY C C 13 174.758 0.000 . 1 . . . . . 133 G C . 52303 1 746 . 1 . 1 167 167 GLY CA C 13 45.967 0.000 . 1 . . . . . 133 G CA . 52303 1 747 . 1 . 1 167 167 GLY N N 15 107.052 0.042 . 1 . . . . . 133 G N . 52303 1 748 . 1 . 1 168 168 MET H H 1 8.275 0.002 . 1 . . . . . 134 M HN . 52303 1 749 . 1 . 1 168 168 MET C C 13 174.997 0.000 . 1 . . . . . 134 M C . 52303 1 750 . 1 . 1 168 168 MET CA C 13 54.717 0.003 . 1 . . . . . 134 M CA . 52303 1 751 . 1 . 1 168 168 MET CB C 13 33.385 0.000 . 1 . . . . . 134 M CB . 52303 1 752 . 1 . 1 168 168 MET N N 15 119.708 0.022 . 1 . . . . . 134 M N . 52303 1 753 . 1 . 1 169 169 ARG H H 1 8.409 0.003 . 1 . . . . . 135 R HN . 52303 1 754 . 1 . 1 169 169 ARG C C 13 176.525 0.000 . 1 . . . . . 135 R C . 52303 1 755 . 1 . 1 169 169 ARG CA C 13 58.380 0.049 . 1 . . . . . 135 R CA . 52303 1 756 . 1 . 1 169 169 ARG CB C 13 33.018 0.113 . 1 . . . . . 135 R CB . 52303 1 757 . 1 . 1 169 169 ARG N N 15 116.919 0.035 . 1 . . . . . 135 R N . 52303 1 758 . 1 . 1 170 170 THR H H 1 8.140 0.004 . 1 . . . . . 136 T HN . 52303 1 759 . 1 . 1 170 170 THR C C 13 174.094 0.000 . 1 . . . . . 136 T C . 52303 1 760 . 1 . 1 170 170 THR CA C 13 59.431 0.005 . 1 . . . . . 136 T CA . 52303 1 761 . 1 . 1 170 170 THR CB C 13 72.265 0.011 . 1 . . . . . 136 T CB . 52303 1 762 . 1 . 1 170 170 THR N N 15 108.219 0.034 . 1 . . . . . 136 T N . 52303 1 763 . 1 . 1 171 171 ALA H H 1 8.869 0.004 . 1 . . . . . 137 A HN . 52303 1 764 . 1 . 1 171 171 ALA C C 13 178.808 0.000 . 1 . . . . . 137 A C . 52303 1 765 . 1 . 1 171 171 ALA CA C 13 54.775 0.013 . 1 . . . . . 137 A CA . 52303 1 766 . 1 . 1 171 171 ALA CB C 13 18.665 0.002 . 1 . . . . . 137 A CB . 52303 1 767 . 1 . 1 171 171 ALA N N 15 122.854 0.009 . 1 . . . . . 137 A N . 52303 1 768 . 1 . 1 172 172 LYS H H 1 7.931 0.006 . 1 . . . . . 138 K HN . 52303 1 769 . 1 . 1 172 172 LYS C C 13 177.834 0.000 . 1 . . . . . 138 K C . 52303 1 770 . 1 . 1 172 172 LYS CA C 13 59.228 0.017 . 1 . . . . . 138 K CA . 52303 1 771 . 1 . 1 172 172 LYS CB C 13 32.215 0.001 . 1 . . . . . 138 K CB . 52303 1 772 . 1 . 1 172 172 LYS N N 15 116.578 0.039 . 1 . . . . . 138 K N . 52303 1 773 . 1 . 1 173 173 ASP H H 1 7.690 0.003 . 1 . . . . . 139 D HN . 52303 1 774 . 1 . 1 173 173 ASP C C 13 177.011 0.000 . 1 . . . . . 139 D C . 52303 1 775 . 1 . 1 173 173 ASP CA C 13 57.202 0.016 . 1 . . . . . 139 D CA . 52303 1 776 . 1 . 1 173 173 ASP CB C 13 41.912 0.010 . 1 . . . . . 139 D CB . 52303 1 777 . 1 . 1 173 173 ASP N N 15 117.649 0.025 . 1 . . . . . 139 D N . 52303 1 778 . 1 . 1 174 174 VAL H H 1 7.441 0.002 . 1 . . . . . 140 V HN . 52303 1 779 . 1 . 1 174 174 VAL C C 13 176.452 0.000 . 1 . . . . . 140 V C . 52303 1 780 . 1 . 1 174 174 VAL CA C 13 61.528 0.013 . 1 . . . . . 140 V CA . 52303 1 781 . 1 . 1 174 174 VAL CB C 13 34.376 0.020 . 1 . . . . . 140 V CB . 52303 1 782 . 1 . 1 174 174 VAL N N 15 111.820 0.027 . 1 . . . . . 140 V N . 52303 1 783 . 1 . 1 175 175 ASN H H 1 8.002 0.004 . 1 . . . . . 141 N HN . 52303 1 784 . 1 . 1 175 175 ASN C C 13 176.855 0.000 . 1 . . . . . 141 N C . 52303 1 785 . 1 . 1 175 175 ASN CA C 13 56.651 0.002 . 1 . . . . . 141 N CA . 52303 1 786 . 1 . 1 175 175 ASN CB C 13 38.599 0.021 . 1 . . . . . 141 N CB . 52303 1 787 . 1 . 1 175 175 ASN N N 15 121.839 0.027 . 1 . . . . . 141 N N . 52303 1 788 . 1 . 1 176 176 ARG H H 1 8.386 0.008 . 1 . . . . . 142 R HN . 52303 1 789 . 1 . 1 176 176 ARG C C 13 179.322 0.000 . 1 . . . . . 142 R C . 52303 1 790 . 1 . 1 176 176 ARG CA C 13 59.949 0.023 . 1 . . . . . 142 R CA . 52303 1 791 . 1 . 1 176 176 ARG CB C 13 29.523 0.035 . 1 . . . . . 142 R CB . 52303 1 792 . 1 . 1 176 176 ARG N N 15 117.357 0.049 . 1 . . . . . 142 R N . 52303 1 793 . 1 . 1 177 177 ASP H H 1 7.408 0.002 . 1 . . . . . 143 D HN . 52303 1 794 . 1 . 1 177 177 ASP C C 13 177.955 0.000 . 1 . . . . . 143 D C . 52303 1 795 . 1 . 1 177 177 ASP CA C 13 57.718 0.040 . 1 . . . . . 143 D CA . 52303 1 796 . 1 . 1 177 177 ASP CB C 13 41.766 0.026 . 1 . . . . . 143 D CB . 52303 1 797 . 1 . 1 177 177 ASP N N 15 118.567 0.064 . 1 . . . . . 143 D N . 52303 1 798 . 1 . 1 178 178 LEU H H 1 7.840 0.001 . 1 . . . . . 144 L HN . 52303 1 799 . 1 . 1 178 178 LEU C C 13 179.047 0.000 . 1 . . . . . 144 L C . 52303 1 800 . 1 . 1 178 178 LEU CA C 13 57.879 0.008 . 1 . . . . . 144 L CA . 52303 1 801 . 1 . 1 178 178 LEU CB C 13 38.330 0.032 . 1 . . . . . 144 L CB . 52303 1 802 . 1 . 1 178 178 LEU N N 15 119.276 0.037 . 1 . . . . . 144 L N . 52303 1 803 . 1 . 1 179 179 TYR H H 1 8.277 0.001 . 1 . . . . . 145 Y HN . 52303 1 804 . 1 . 1 179 179 TYR C C 13 179.826 0.000 . 1 . . . . . 145 Y C . 52303 1 805 . 1 . 1 179 179 TYR CA C 13 63.105 0.011 . 1 . . . . . 145 Y CA . 52303 1 806 . 1 . 1 179 179 TYR CB C 13 37.496 0.000 . 1 . . . . . 145 Y CB . 52303 1 807 . 1 . 1 179 179 TYR N N 15 116.215 0.016 . 1 . . . . . 145 Y N . 52303 1 808 . 1 . 1 180 180 ARG H H 1 8.052 0.005 . 1 . . . . . 146 R HN . 52303 1 809 . 1 . 1 180 180 ARG C C 13 180.122 0.000 . 1 . . . . . 146 R C . 52303 1 810 . 1 . 1 180 180 ARG CA C 13 59.997 0.003 . 1 . . . . . 146 R CA . 52303 1 811 . 1 . 1 180 180 ARG CB C 13 30.074 0.000 . 1 . . . . . 146 R CB . 52303 1 812 . 1 . 1 180 180 ARG N N 15 122.788 0.033 . 1 . . . . . 146 R N . 52303 1 813 . 1 . 1 181 181 MET H H 1 8.451 0.003 . 1 . . . . . 147 M HN . 52303 1 814 . 1 . 1 181 181 MET C C 13 179.325 0.000 . 1 . . . . . 147 M C . 52303 1 815 . 1 . 1 181 181 MET CA C 13 60.260 0.004 . 1 . . . . . 147 M CA . 52303 1 816 . 1 . 1 181 181 MET CB C 13 33.893 0.000 . 1 . . . . . 147 M CB . 52303 1 817 . 1 . 1 181 181 MET N N 15 119.426 0.054 . 1 . . . . . 147 M N . 52303 1 818 . 1 . 1 182 182 LYS H H 1 8.982 0.003 . 1 . . . . . 148 K HN . 52303 1 819 . 1 . 1 182 182 LYS C C 13 180.816 0.000 . 1 . . . . . 148 K C . 52303 1 820 . 1 . 1 182 182 LYS CA C 13 59.739 0.022 . 1 . . . . . 148 K CA . 52303 1 821 . 1 . 1 182 182 LYS CB C 13 33.286 0.043 . 1 . . . . . 148 K CB . 52303 1 822 . 1 . 1 182 182 LYS N N 15 123.813 0.029 . 1 . . . . . 148 K N . 52303 1 823 . 1 . 1 183 183 SER H H 1 8.303 0.002 . 1 . . . . . 149 S HN . 52303 1 824 . 1 . 1 183 183 SER C C 13 174.892 0.000 . 1 . . . . . 149 S C . 52303 1 825 . 1 . 1 183 183 SER CA C 13 61.711 0.003 . 1 . . . . . 149 S CA . 52303 1 826 . 1 . 1 183 183 SER CB C 13 62.907 0.001 . 1 . . . . . 149 S CB . 52303 1 827 . 1 . 1 183 183 SER N N 15 118.193 0.018 . 1 . . . . . 149 S N . 52303 1 828 . 1 . 1 184 184 ARG H H 1 7.084 0.008 . 1 . . . . . 150 R HN . 52303 1 829 . 1 . 1 184 184 ARG C C 13 174.762 0.000 . 1 . . . . . 150 R C . 52303 1 830 . 1 . 1 184 184 ARG CA C 13 55.769 0.002 . 1 . . . . . 150 R CA . 52303 1 831 . 1 . 1 184 184 ARG CB C 13 30.385 0.018 . 1 . . . . . 150 R CB . 52303 1 832 . 1 . 1 184 184 ARG N N 15 118.210 0.075 . 1 . . . . . 150 R N . 52303 1 833 . 1 . 1 185 185 HIS H H 1 8.031 0.029 . 1 . . . . . 151 H HN . 52303 1 834 . 1 . 1 185 185 HIS CA C 13 56.853 0.000 . 1 . . . . . 151 H CA . 52303 1 835 . 1 . 1 185 185 HIS CB C 13 25.580 0.007 . 1 . . . . . 151 H CB . 52303 1 836 . 1 . 1 185 185 HIS N N 15 112.204 0.236 . 1 . . . . . 151 H N . 52303 1 837 . 1 . 1 186 186 LEU H H 1 8.179 0.005 . 1 . . . . . 152 L HN . 52303 1 838 . 1 . 1 186 186 LEU C C 13 177.965 0.000 . 1 . . . . . 152 L C . 52303 1 839 . 1 . 1 186 186 LEU CA C 13 56.577 0.008 . 1 . . . . . 152 L CA . 52303 1 840 . 1 . 1 186 186 LEU CB C 13 44.854 0.031 . 1 . . . . . 152 L CB . 52303 1 841 . 1 . 1 186 186 LEU N N 15 113.434 0.100 . 1 . . . . . 152 L N . 52303 1 842 . 1 . 1 187 187 LEU H H 1 6.836 0.020 . 1 . . . . . 153 L HN . 52303 1 843 . 1 . 1 187 187 LEU C C 13 175.327 0.000 . 1 . . . . . 153 L C . 52303 1 844 . 1 . 1 187 187 LEU CA C 13 52.505 0.000 . 1 . . . . . 153 L CA . 52303 1 845 . 1 . 1 187 187 LEU CB C 13 48.174 0.029 . 1 . . . . . 153 L CB . 52303 1 846 . 1 . 1 187 187 LEU N N 15 112.998 0.042 . 1 . . . . . 153 L N . 52303 1 847 . 1 . 1 188 188 ASP H H 1 9.141 0.026 . 1 . . . . . 154 D HN . 52303 1 848 . 1 . 1 188 188 ASP C C 13 172.939 0.000 . 1 . . . . . 154 D C . 52303 1 849 . 1 . 1 188 188 ASP CA C 13 52.656 0.065 . 1 . . . . . 154 D CA . 52303 1 850 . 1 . 1 188 188 ASP CB C 13 45.679 0.039 . 1 . . . . . 154 D CB . 52303 1 851 . 1 . 1 188 188 ASP N N 15 119.171 0.070 . 1 . . . . . 154 D N . 52303 1 852 . 1 . 1 189 189 MET H H 1 8.367 0.005 . 1 . . . . . 155 M HN . 52303 1 853 . 1 . 1 189 189 MET C C 13 174.828 0.000 . 1 . . . . . 155 M C . 52303 1 854 . 1 . 1 189 189 MET CA C 13 53.842 0.000 . 1 . . . . . 155 M CA . 52303 1 855 . 1 . 1 189 189 MET CB C 13 35.080 0.029 . 1 . . . . . 155 M CB . 52303 1 856 . 1 . 1 189 189 MET N N 15 119.875 0.019 . 1 . . . . . 155 M N . 52303 1 857 . 1 . 1 190 190 ASP H H 1 8.126 0.016 . 1 . . . . . 156 D HN . 52303 1 858 . 1 . 1 190 190 ASP C C 13 176.780 0.000 . 1 . . . . . 156 D C . 52303 1 859 . 1 . 1 190 190 ASP CA C 13 53.639 0.076 . 1 . . . . . 156 D CA . 52303 1 860 . 1 . 1 190 190 ASP CB C 13 42.497 0.008 . 1 . . . . . 156 D CB . 52303 1 861 . 1 . 1 190 190 ASP N N 15 127.569 0.035 . 1 . . . . . 156 D N . 52303 1 862 . 1 . 1 191 191 GLU H H 1 8.910 0.003 . 1 . . . . . 157 E HN . 52303 1 863 . 1 . 1 191 191 GLU C C 13 177.363 0.000 . 1 . . . . . 157 E C . 52303 1 864 . 1 . 1 191 191 GLU CA C 13 59.118 0.002 . 1 . . . . . 157 E CA . 52303 1 865 . 1 . 1 191 191 GLU CB C 13 29.713 0.029 . 1 . . . . . 157 E CB . 52303 1 866 . 1 . 1 191 191 GLU N N 15 127.344 0.044 . 1 . . . . . 157 E N . 52303 1 867 . 1 . 1 192 192 GLN H H 1 8.367 0.002 . 1 . . . . . 158 Q HN . 52303 1 868 . 1 . 1 192 192 GLN C C 13 177.362 0.000 . 1 . . . . . 158 Q C . 52303 1 869 . 1 . 1 192 192 GLN CA C 13 58.301 0.004 . 1 . . . . . 158 Q CA . 52303 1 870 . 1 . 1 192 192 GLN CB C 13 28.919 0.011 . 1 . . . . . 158 Q CB . 52303 1 871 . 1 . 1 192 192 GLN N N 15 116.771 0.016 . 1 . . . . . 158 Q N . 52303 1 872 . 1 . 1 193 193 SER H H 1 8.248 0.009 . 1 . . . . . 159 S HN . 52303 1 873 . 1 . 1 193 193 SER C C 13 175.556 0.000 . 1 . . . . . 159 S C . 52303 1 874 . 1 . 1 193 193 SER CA C 13 58.959 0.000 . 1 . . . . . 159 S CA . 52303 1 875 . 1 . 1 193 193 SER CB C 13 64.825 0.000 . 1 . . . . . 159 S CB . 52303 1 876 . 1 . 1 193 193 SER N N 15 113.603 0.069 . 1 . . . . . 159 S N . 52303 1 877 . 1 . 1 194 194 LYS H H 1 8.121 0.004 . 1 . . . . . 160 K HN . 52303 1 878 . 1 . 1 194 194 LYS C C 13 174.121 0.000 . 1 . . . . . 160 K C . 52303 1 879 . 1 . 1 194 194 LYS CA C 13 56.840 0.000 . 1 . . . . . 160 K CA . 52303 1 880 . 1 . 1 194 194 LYS CB C 13 29.155 0.060 . 1 . . . . . 160 K CB . 52303 1 881 . 1 . 1 194 194 LYS N N 15 115.868 0.015 . 1 . . . . . 160 K N . 52303 1 882 . 1 . 1 195 195 ALA H H 1 7.673 0.004 . 1 . . . . . 161 A HN . 52303 1 883 . 1 . 1 195 195 ALA C C 13 176.346 0.000 . 1 . . . . . 161 A C . 52303 1 884 . 1 . 1 195 195 ALA CA C 13 51.656 0.005 . 1 . . . . . 161 A CA . 52303 1 885 . 1 . 1 195 195 ALA CB C 13 19.756 0.011 . 1 . . . . . 161 A CB . 52303 1 886 . 1 . 1 195 195 ALA N N 15 119.661 0.037 . 1 . . . . . 161 A N . 52303 1 887 . 1 . 1 196 196 TRP H H 1 8.778 0.003 . 1 . . . . . 162 W HN . 52303 1 888 . 1 . 1 196 196 TRP HE1 H 1 10.143 0.006 . 1 . . . . . 162 W HE1 . 52303 1 889 . 1 . 1 196 196 TRP C C 13 174.675 0.000 . 1 . . . . . 162 W C . 52303 1 890 . 1 . 1 196 196 TRP CA C 13 57.208 0.013 . 1 . . . . . 162 W CA . 52303 1 891 . 1 . 1 196 196 TRP CB C 13 30.676 0.008 . 1 . . . . . 162 W CB . 52303 1 892 . 1 . 1 196 196 TRP N N 15 126.708 0.092 . 1 . . . . . 162 W N . 52303 1 893 . 1 . 1 196 196 TRP NE1 N 15 129.966 0.040 . 1 . . . . . 162 W NE1 . 52303 1 894 . 1 . 1 197 197 THR H H 1 8.943 0.006 . 1 . . . . . 163 T HN . 52303 1 895 . 1 . 1 197 197 THR C C 13 173.312 0.000 . 1 . . . . . 163 T C . 52303 1 896 . 1 . 1 197 197 THR CA C 13 58.773 0.005 . 1 . . . . . 163 T CA . 52303 1 897 . 1 . 1 197 197 THR CB C 13 71.716 0.008 . 1 . . . . . 163 T CB . 52303 1 898 . 1 . 1 197 197 THR N N 15 111.726 0.080 . 1 . . . . . 163 T N . 52303 1 899 . 1 . 1 198 198 ILE H H 1 7.801 0.017 . 1 . . . . . 164 I HN . 52303 1 900 . 1 . 1 198 198 ILE C C 13 176.283 0.000 . 1 . . . . . 164 I C . 52303 1 901 . 1 . 1 198 198 ILE CA C 13 61.923 0.006 . 1 . . . . . 164 I CA . 52303 1 902 . 1 . 1 198 198 ILE CB C 13 37.950 0.032 . 1 . . . . . 164 I CB . 52303 1 903 . 1 . 1 198 198 ILE N N 15 120.343 0.206 . 1 . . . . . 164 I N . 52303 1 904 . 1 . 1 199 199 TYR H H 1 8.106 0.019 . 1 . . . . . 165 Y HN . 52303 1 905 . 1 . 1 199 199 TYR C C 13 175.246 0.000 . 1 . . . . . 165 Y C . 52303 1 906 . 1 . 1 199 199 TYR CA C 13 59.031 0.009 . 1 . . . . . 165 Y CA . 52303 1 907 . 1 . 1 199 199 TYR CB C 13 39.053 0.000 . 1 . . . . . 165 Y CB . 52303 1 908 . 1 . 1 199 199 TYR N N 15 126.323 0.131 . 1 . . . . . 165 Y N . 52303 1 909 . 1 . 1 200 200 ARG H H 1 7.941 0.126 . 1 . . . . . 166 R HN . 52303 1 910 . 1 . 1 200 200 ARG C C 13 175.058 0.000 . 1 . . . . . 166 R C . 52303 1 911 . 1 . 1 200 200 ARG CA C 13 55.969 0.045 . 1 . . . . . 166 R CA . 52303 1 912 . 1 . 1 200 200 ARG CB C 13 31.354 0.006 . 1 . . . . . 166 R CB . 52303 1 913 . 1 . 1 200 200 ARG N N 15 126.572 0.899 . 1 . . . . . 166 R N . 52303 1 914 . 1 . 1 201 201 LYS H H 1 7.806 0.002 . 1 . . . . . 167 K HN . 52303 1 915 . 1 . 1 201 201 LYS C C 13 176.369 0.000 . 1 . . . . . 167 K C . 52303 1 916 . 1 . 1 201 201 LYS CA C 13 56.758 0.038 . 1 . . . . . 167 K CA . 52303 1 917 . 1 . 1 201 201 LYS CB C 13 32.901 0.003 . 1 . . . . . 167 K CB . 52303 1 918 . 1 . 1 201 201 LYS N N 15 122.285 0.046 . 1 . . . . . 167 K N . 52303 1 919 . 1 . 1 202 202 LEU H H 1 8.083 0.002 . 1 . . . . . 168 L HN . 52303 1 920 . 1 . 1 202 202 LEU C C 13 177.083 0.000 . 1 . . . . . 168 L C . 52303 1 921 . 1 . 1 202 202 LEU CA C 13 55.215 0.000 . 1 . . . . . 168 L CA . 52303 1 922 . 1 . 1 202 202 LEU CB C 13 42.505 0.003 . 1 . . . . . 168 L CB . 52303 1 923 . 1 . 1 202 202 LEU N N 15 123.661 0.030 . 1 . . . . . 168 L N . 52303 1 924 . 1 . 1 203 203 ALA H H 1 8.193 0.002 . 1 . . . . . 169 A HN . 52303 1 925 . 1 . 1 203 203 ALA C C 13 177.691 0.000 . 1 . . . . . 169 A C . 52303 1 926 . 1 . 1 203 203 ALA CA C 13 52.832 0.000 . 1 . . . . . 169 A CA . 52303 1 927 . 1 . 1 203 203 ALA CB C 13 19.109 0.000 . 1 . . . . . 169 A CB . 52303 1 928 . 1 . 1 203 203 ALA N N 15 124.682 0.009 . 1 . . . . . 169 A N . 52303 1 929 . 1 . 1 204 204 ALA H H 1 8.125 0.002 . 1 . . . . . 170 A HN . 52303 1 930 . 1 . 1 204 204 ALA C C 13 177.775 0.000 . 1 . . . . . 170 A C . 52303 1 931 . 1 . 1 204 204 ALA CA C 13 52.885 0.000 . 1 . . . . . 170 A CA . 52303 1 932 . 1 . 1 204 204 ALA CB C 13 19.155 0.000 . 1 . . . . . 170 A CB . 52303 1 933 . 1 . 1 204 204 ALA N N 15 122.669 0.015 . 1 . . . . . 170 A N . 52303 1 934 . 1 . 1 205 205 ALA H H 1 8.092 0.002 . 1 . . . . . 171 A HN . 52303 1 935 . 1 . 1 205 205 ALA C C 13 177.853 0.000 . 1 . . . . . 171 A C . 52303 1 936 . 1 . 1 205 205 ALA CA C 13 52.817 0.014 . 1 . . . . . 171 A CA . 52303 1 937 . 1 . 1 205 205 ALA CB C 13 19.123 0.009 . 1 . . . . . 171 A CB . 52303 1 938 . 1 . 1 205 205 ALA N N 15 122.175 0.016 . 1 . . . . . 171 A N . 52303 1 939 . 1 . 1 206 206 LEU H H 1 8.006 0.002 . 1 . . . . . 172 L HN . 52303 1 940 . 1 . 1 206 206 LEU C C 13 177.405 0.000 . 1 . . . . . 172 L C . 52303 1 941 . 1 . 1 206 206 LEU CA C 13 55.307 0.008 . 1 . . . . . 172 L CA . 52303 1 942 . 1 . 1 206 206 LEU CB C 13 42.405 0.012 . 1 . . . . . 172 L CB . 52303 1 943 . 1 . 1 206 206 LEU N N 15 120.291 0.018 . 1 . . . . . 172 L N . 52303 1 944 . 1 . 1 207 207 GLU H H 1 8.130 0.002 . 1 . . . . . 173 E HN . 52303 1 945 . 1 . 1 207 207 GLU C C 13 176.248 0.000 . 1 . . . . . 173 E C . 52303 1 946 . 1 . 1 207 207 GLU CA C 13 56.690 0.000 . 1 . . . . . 173 E CA . 52303 1 947 . 1 . 1 207 207 GLU CB C 13 30.379 0.000 . 1 . . . . . 173 E CB . 52303 1 948 . 1 . 1 207 207 GLU N N 15 120.737 0.025 . 1 . . . . . 173 E N . 52303 1 949 . 1 . 1 208 208 HIS H H 1 8.259 0.002 . 1 . . . . . 174 H HN . 52303 1 950 . 1 . 1 208 208 HIS N N 15 119.466 0.007 . 1 . . . . . 174 H N . 52303 1 stop_ save_