data_15643 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15643 _Entry.Title ; Backbone chemical shift assignments for ketopantoate reductase (KPR) from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-28 _Entry.Accession_date 2008-01-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Stephen Headey . J. . 15643 2 Amelia Vom . . . 15643 3 Jamie Simpson . S. . 15643 4 Martin Scanlon . J. . 15643 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Medicinal Chemistry and Drug Action, Monash Institute of Pharmaceutical Sciences' . 15643 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15643 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 787 15643 '15N chemical shifts' 267 15643 '1H chemical shifts' 267 15643 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-08-13 2008-01-28 update BMRB 'added PubMed ID' 15643 1 . . 2008-06-05 2008-01-28 original author 'original release' 15643 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15643 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636932 _Citation.Full_citation . _Citation.Title 'Backbone assignments of the 34 kDa ketopantoate reductase from E. coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 93 _Citation.Page_last 96 _Citation.Year 2008 _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.Entry_ID _Citation_author.Citation_ID 1 Stephen Headey . J. . 15643 1 2 Amelia Vom . . . 15643 1 3 Jamie Simpson . S. . 15643 1 4 Martin Scanlon . J. . 15643 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E. coli' 15643 1 'ketopantoate reductase' 15643 1 KPR 15643 1 'NMR assignments' 15643 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15643 _Assembly.ID 1 _Assembly.Name KPR _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 35792 _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 KPR 1 $KPR A . yes native no no . . . 15643 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 15643 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1KS9 . . X-ray 1.70 . 'X-ray structure of KPR apo' 15643 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KPR _Entity.Sf_category entity _Entity.Sf_framecode KPR _Entity.Entry_ID 15643 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KPR _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 ; MRGSHHHHHHGLVPRGSMKI TVLGCGALGQLWLTALCKQG HEVQGWLRVPQPYCSVNLVE TDGSIFNESLTANDPDFLAT SDLLLVTLKAWQVSDAVKSL ASTLPVTTPILLIHNGMGTI EELQNIQQPLLMGTTTHAAR RDGNVIIHVANGITHIGPAR QQDGDYSYLADILQTVLPDV AWHNNIRAELWRKLAVNCVI NPLTAIWNCPNGELRHHPQE IMQICEEVAAVIEREGHHTS AEDLRDYVMQVIDATAENIS SMLQDIRALRHTEIDYINGF LLRRARAHGIAVPENTRLFE MVKRKESEYERIGTGLPRPW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; MET -17 ARG+ -16 ... GLY -2 SER -1 MET 1 LYS+ 2 ILE 3 ... ARG+ 301 PRO 302 TRP 303 ; _Entity.Polymer_author_seq_details 'negative numbers denote vector encoded leader sequence including His-tag' _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 320 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KS9 . "Ketopantoate Reductase From Escherichia Coli" . . . . . 90.94 291 100.00 100.00 0.00e+00 . . . . 15643 1 2 no PDB 1YJQ . "Crystal Structure Of Ketopantoate Reductase In Complex With Nadp+" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 3 no PDB 1YON . "Escherichia Coli Ketopantoate Reductase In Complex With 2- Monophosphoadenosine-5'-diphosphate" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 4 no PDB 2OFP . "Crystal Structure Of Escherichia Coli Ketopantoate Reductase In A Ternary Complex With Nadp+ And Pantoate" . . . . . 100.00 320 100.00 100.00 0.00e+00 . . . . 15643 1 5 no DBJ BAB33902 . "involved in thiamin biosynthesis, alternative pyrimidine biosynthesis [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.69 303 99.34 99.34 0.00e+00 . . . . 15643 1 6 no DBJ BAE76205 . "2-dehydropantoate reductase, NADPH-specific [Escherichia coli str. K12 substr. W3110]" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 7 no DBJ BAG75971 . "2-dehydropantoate 2-reductase [Escherichia coli SE11]" . . . . . 94.69 303 99.67 99.67 0.00e+00 . . . . 15643 1 8 no DBJ BAI23796 . "2-dehydropantoate reductase, NADPH-specific [Escherichia coli O26:H11 str. 11368]" . . . . . 94.69 303 99.67 99.67 0.00e+00 . . . . 15643 1 9 no DBJ BAI29267 . "2-dehydropantoate reductase, NADPH-specific [Escherichia coli O103:H2 str. 12009]" . . . . . 94.69 303 99.67 99.67 0.00e+00 . . . . 15643 1 10 no EMBL CAP74959 . "2-dehydropantoate 2-reductase [Escherichia coli LF82]" . . . . . 94.69 303 99.01 99.34 0.00e+00 . . . . 15643 1 11 no EMBL CAQ30894 . "2-dehydropantoate 2-reductase [Escherichia coli BL21(DE3)]" . . . . . 94.69 303 99.67 99.67 0.00e+00 . . . . 15643 1 12 no EMBL CAQ90095 . "2-dehydropantoate reductase, NADPH-specific [Escherichia fergusonii ATCC 35469]" . . . . . 94.69 303 99.34 99.67 0.00e+00 . . . . 15643 1 13 no EMBL CAQ97297 . "2-dehydropantoate reductase, NADPH-specific [Escherichia coli IAI1]" . . . . . 94.69 303 99.01 99.34 0.00e+00 . . . . 15643 1 14 no EMBL CAR01768 . "2-dehydropantoate reductase, NADPH-specific [Escherichia coli S88]" . . . . . 94.69 303 99.67 99.67 0.00e+00 . . . . 15643 1 15 no GB AAB40181 . "similar to S. typhimurium apbA [Escherichia coli]" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 16 no GB AAC73528 . "2-dehydropantoate reductase, NADPH-specific [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 17 no GB AAG54775 . "involved in thiamin biosynthesis, alternative pyrimidine biosynthesis [Escherichia coli O157:H7 str. EDL933]" . . . . . 94.69 303 99.34 99.34 0.00e+00 . . . . 15643 1 18 no GB AAN42020 . "ketopantoate reductase [Shigella flexneri 2a str. 301]" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 19 no GB AAN79014 . "2-dehydropantoate 2-reductase [Escherichia coli CFT073]" . . . . . 94.69 303 98.68 99.34 0.00e+00 . . . . 15643 1 20 no REF NP_308506 . "2-dehydropantoate 2-reductase [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.69 303 99.34 99.34 0.00e+00 . . . . 15643 1 21 no REF NP_414959 . "2-dehydropantoate reductase, NADPH-specific [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 22 no REF NP_706313 . "2-dehydropantoate 2-reductase [Shigella flexneri 2a str. 301]" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 23 no REF WP_000705824 . "2-dehydropantoate 2-reductase [Escherichia sp. TW09231]" . . . . . 94.69 303 98.35 99.01 0.00e+00 . . . . 15643 1 24 no REF WP_000705825 . "2-dehydropantoate 2-reductase [Escherichia sp. TW14182]" . . . . . 94.69 303 99.01 99.34 0.00e+00 . . . . 15643 1 25 no SP P0A9J4 . "RecName: Full=2-dehydropantoate 2-reductase; AltName: Full=Ketopantoate reductase; Short=KPA reductase; Short=KPR" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 26 no SP P0A9J5 . "RecName: Full=2-dehydropantoate 2-reductase; AltName: Full=Ketopantoate reductase; Short=KPA reductase; Short=KPR" . . . . . 94.69 303 100.00 100.00 0.00e+00 . . . . 15643 1 27 no SP Q8XE72 . "RecName: Full=2-dehydropantoate 2-reductase; AltName: Full=Ketopantoate reductase; Short=KPA reductase; Short=KPR" . . . . . 94.69 303 99.34 99.34 0.00e+00 . . . . 15643 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Pantothenate (vitamin B5) synthesis' 15643 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -17 MET . 15643 1 2 -16 ARG . 15643 1 3 -15 GLY . 15643 1 4 -14 SER . 15643 1 5 -13 HIS . 15643 1 6 -12 HIS . 15643 1 7 -11 HIS . 15643 1 8 -10 HIS . 15643 1 9 -9 HIS . 15643 1 10 -8 HIS . 15643 1 11 -7 GLY . 15643 1 12 -6 LEU . 15643 1 13 -5 VAL . 15643 1 14 -4 PRO . 15643 1 15 -3 ARG . 15643 1 16 -2 GLY . 15643 1 17 -1 SER . 15643 1 18 1 MET . 15643 1 19 2 LYS . 15643 1 20 3 ILE . 15643 1 21 4 THR . 15643 1 22 5 VAL . 15643 1 23 6 LEU . 15643 1 24 7 GLY . 15643 1 25 8 CYS . 15643 1 26 9 GLY . 15643 1 27 10 ALA . 15643 1 28 11 LEU . 15643 1 29 12 GLY . 15643 1 30 13 GLN . 15643 1 31 14 LEU . 15643 1 32 15 TRP . 15643 1 33 16 LEU . 15643 1 34 17 THR . 15643 1 35 18 ALA . 15643 1 36 19 LEU . 15643 1 37 20 CYS . 15643 1 38 21 LYS . 15643 1 39 22 GLN . 15643 1 40 23 GLY . 15643 1 41 24 HIS . 15643 1 42 25 GLU . 15643 1 43 26 VAL . 15643 1 44 27 GLN . 15643 1 45 28 GLY . 15643 1 46 29 TRP . 15643 1 47 30 LEU . 15643 1 48 31 ARG . 15643 1 49 32 VAL . 15643 1 50 33 PRO . 15643 1 51 34 GLN . 15643 1 52 35 PRO . 15643 1 53 36 TYR . 15643 1 54 37 CYS . 15643 1 55 38 SER . 15643 1 56 39 VAL . 15643 1 57 40 ASN . 15643 1 58 41 LEU . 15643 1 59 42 VAL . 15643 1 60 43 GLU . 15643 1 61 44 THR . 15643 1 62 45 ASP . 15643 1 63 46 GLY . 15643 1 64 47 SER . 15643 1 65 48 ILE . 15643 1 66 49 PHE . 15643 1 67 50 ASN . 15643 1 68 51 GLU . 15643 1 69 52 SER . 15643 1 70 53 LEU . 15643 1 71 54 THR . 15643 1 72 55 ALA . 15643 1 73 56 ASN . 15643 1 74 57 ASP . 15643 1 75 58 PRO . 15643 1 76 59 ASP . 15643 1 77 60 PHE . 15643 1 78 61 LEU . 15643 1 79 62 ALA . 15643 1 80 63 THR . 15643 1 81 64 SER . 15643 1 82 65 ASP . 15643 1 83 66 LEU . 15643 1 84 67 LEU . 15643 1 85 68 LEU . 15643 1 86 69 VAL . 15643 1 87 70 THR . 15643 1 88 71 LEU . 15643 1 89 72 LYS . 15643 1 90 73 ALA . 15643 1 91 74 TRP . 15643 1 92 75 GLN . 15643 1 93 76 VAL . 15643 1 94 77 SER . 15643 1 95 78 ASP . 15643 1 96 79 ALA . 15643 1 97 80 VAL . 15643 1 98 81 LYS . 15643 1 99 82 SER . 15643 1 100 83 LEU . 15643 1 101 84 ALA . 15643 1 102 85 SER . 15643 1 103 86 THR . 15643 1 104 87 LEU . 15643 1 105 88 PRO . 15643 1 106 89 VAL . 15643 1 107 90 THR . 15643 1 108 91 THR . 15643 1 109 92 PRO . 15643 1 110 93 ILE . 15643 1 111 94 LEU . 15643 1 112 95 LEU . 15643 1 113 96 ILE . 15643 1 114 97 HIS . 15643 1 115 98 ASN . 15643 1 116 99 GLY . 15643 1 117 100 MET . 15643 1 118 101 GLY . 15643 1 119 102 THR . 15643 1 120 103 ILE . 15643 1 121 104 GLU . 15643 1 122 105 GLU . 15643 1 123 106 LEU . 15643 1 124 107 GLN . 15643 1 125 108 ASN . 15643 1 126 109 ILE . 15643 1 127 110 GLN . 15643 1 128 111 GLN . 15643 1 129 112 PRO . 15643 1 130 113 LEU . 15643 1 131 114 LEU . 15643 1 132 115 MET . 15643 1 133 116 GLY . 15643 1 134 117 THR . 15643 1 135 118 THR . 15643 1 136 119 THR . 15643 1 137 120 HIS . 15643 1 138 121 ALA . 15643 1 139 122 ALA . 15643 1 140 123 ARG . 15643 1 141 124 ARG . 15643 1 142 125 ASP . 15643 1 143 126 GLY . 15643 1 144 127 ASN . 15643 1 145 128 VAL . 15643 1 146 129 ILE . 15643 1 147 130 ILE . 15643 1 148 131 HIS . 15643 1 149 132 VAL . 15643 1 150 133 ALA . 15643 1 151 134 ASN . 15643 1 152 135 GLY . 15643 1 153 136 ILE . 15643 1 154 137 THR . 15643 1 155 138 HIS . 15643 1 156 139 ILE . 15643 1 157 140 GLY . 15643 1 158 141 PRO . 15643 1 159 142 ALA . 15643 1 160 143 ARG . 15643 1 161 144 GLN . 15643 1 162 145 GLN . 15643 1 163 146 ASP . 15643 1 164 147 GLY . 15643 1 165 148 ASP . 15643 1 166 149 TYR . 15643 1 167 150 SER . 15643 1 168 151 TYR . 15643 1 169 152 LEU . 15643 1 170 153 ALA . 15643 1 171 154 ASP . 15643 1 172 155 ILE . 15643 1 173 156 LEU . 15643 1 174 157 GLN . 15643 1 175 158 THR . 15643 1 176 159 VAL . 15643 1 177 160 LEU . 15643 1 178 161 PRO . 15643 1 179 162 ASP . 15643 1 180 163 VAL . 15643 1 181 164 ALA . 15643 1 182 165 TRP . 15643 1 183 166 HIS . 15643 1 184 167 ASN . 15643 1 185 168 ASN . 15643 1 186 169 ILE . 15643 1 187 170 ARG . 15643 1 188 171 ALA . 15643 1 189 172 GLU . 15643 1 190 173 LEU . 15643 1 191 174 TRP . 15643 1 192 175 ARG . 15643 1 193 176 LYS . 15643 1 194 177 LEU . 15643 1 195 178 ALA . 15643 1 196 179 VAL . 15643 1 197 180 ASN . 15643 1 198 181 CYS . 15643 1 199 182 VAL . 15643 1 200 183 ILE . 15643 1 201 184 ASN . 15643 1 202 185 PRO . 15643 1 203 186 LEU . 15643 1 204 187 THR . 15643 1 205 188 ALA . 15643 1 206 189 ILE . 15643 1 207 190 TRP . 15643 1 208 191 ASN . 15643 1 209 192 CYS . 15643 1 210 193 PRO . 15643 1 211 194 ASN . 15643 1 212 195 GLY . 15643 1 213 196 GLU . 15643 1 214 197 LEU . 15643 1 215 198 ARG . 15643 1 216 199 HIS . 15643 1 217 200 HIS . 15643 1 218 201 PRO . 15643 1 219 202 GLN . 15643 1 220 203 GLU . 15643 1 221 204 ILE . 15643 1 222 205 MET . 15643 1 223 206 GLN . 15643 1 224 207 ILE . 15643 1 225 208 CYS . 15643 1 226 209 GLU . 15643 1 227 210 GLU . 15643 1 228 211 VAL . 15643 1 229 212 ALA . 15643 1 230 213 ALA . 15643 1 231 214 VAL . 15643 1 232 215 ILE . 15643 1 233 216 GLU . 15643 1 234 217 ARG . 15643 1 235 218 GLU . 15643 1 236 219 GLY . 15643 1 237 220 HIS . 15643 1 238 221 HIS . 15643 1 239 222 THR . 15643 1 240 223 SER . 15643 1 241 224 ALA . 15643 1 242 225 GLU . 15643 1 243 226 ASP . 15643 1 244 227 LEU . 15643 1 245 228 ARG . 15643 1 246 229 ASP . 15643 1 247 230 TYR . 15643 1 248 231 VAL . 15643 1 249 232 MET . 15643 1 250 233 GLN . 15643 1 251 234 VAL . 15643 1 252 235 ILE . 15643 1 253 236 ASP . 15643 1 254 237 ALA . 15643 1 255 238 THR . 15643 1 256 239 ALA . 15643 1 257 240 GLU . 15643 1 258 241 ASN . 15643 1 259 242 ILE . 15643 1 260 243 SER . 15643 1 261 244 SER . 15643 1 262 245 MET . 15643 1 263 246 LEU . 15643 1 264 247 GLN . 15643 1 265 248 ASP . 15643 1 266 249 ILE . 15643 1 267 250 ARG . 15643 1 268 251 ALA . 15643 1 269 252 LEU . 15643 1 270 253 ARG . 15643 1 271 254 HIS . 15643 1 272 255 THR . 15643 1 273 256 GLU . 15643 1 274 257 ILE . 15643 1 275 258 ASP . 15643 1 276 259 TYR . 15643 1 277 260 ILE . 15643 1 278 261 ASN . 15643 1 279 262 GLY . 15643 1 280 263 PHE . 15643 1 281 264 LEU . 15643 1 282 265 LEU . 15643 1 283 266 ARG . 15643 1 284 267 ARG . 15643 1 285 268 ALA . 15643 1 286 269 ARG . 15643 1 287 270 ALA . 15643 1 288 271 HIS . 15643 1 289 272 GLY . 15643 1 290 273 ILE . 15643 1 291 274 ALA . 15643 1 292 275 VAL . 15643 1 293 276 PRO . 15643 1 294 277 GLU . 15643 1 295 278 ASN . 15643 1 296 279 THR . 15643 1 297 280 ARG . 15643 1 298 281 LEU . 15643 1 299 282 PHE . 15643 1 300 283 GLU . 15643 1 301 284 MET . 15643 1 302 285 VAL . 15643 1 303 286 LYS . 15643 1 304 287 ARG . 15643 1 305 288 LYS . 15643 1 306 289 GLU . 15643 1 307 290 SER . 15643 1 308 291 GLU . 15643 1 309 292 TYR . 15643 1 310 293 GLU . 15643 1 311 294 ARG . 15643 1 312 295 ILE . 15643 1 313 296 GLY . 15643 1 314 297 THR . 15643 1 315 298 GLY . 15643 1 316 299 LEU . 15643 1 317 300 PRO . 15643 1 318 301 ARG . 15643 1 319 302 PRO . 15643 1 320 303 TRP . 15643 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 15643 1 . ARG 2 2 15643 1 . GLY 3 3 15643 1 . SER 4 4 15643 1 . HIS 5 5 15643 1 . HIS 6 6 15643 1 . HIS 7 7 15643 1 . HIS 8 8 15643 1 . HIS 9 9 15643 1 . HIS 10 10 15643 1 . GLY 11 11 15643 1 . LEU 12 12 15643 1 . VAL 13 13 15643 1 . PRO 14 14 15643 1 . ARG 15 15 15643 1 . GLY 16 16 15643 1 . SER 17 17 15643 1 . MET 18 18 15643 1 . LYS 19 19 15643 1 . ILE 20 20 15643 1 . THR 21 21 15643 1 . VAL 22 22 15643 1 . LEU 23 23 15643 1 . GLY 24 24 15643 1 . CYS 25 25 15643 1 . GLY 26 26 15643 1 . ALA 27 27 15643 1 . LEU 28 28 15643 1 . GLY 29 29 15643 1 . GLN 30 30 15643 1 . LEU 31 31 15643 1 . TRP 32 32 15643 1 . LEU 33 33 15643 1 . THR 34 34 15643 1 . ALA 35 35 15643 1 . LEU 36 36 15643 1 . CYS 37 37 15643 1 . LYS 38 38 15643 1 . GLN 39 39 15643 1 . GLY 40 40 15643 1 . HIS 41 41 15643 1 . GLU 42 42 15643 1 . VAL 43 43 15643 1 . GLN 44 44 15643 1 . GLY 45 45 15643 1 . TRP 46 46 15643 1 . LEU 47 47 15643 1 . ARG 48 48 15643 1 . VAL 49 49 15643 1 . PRO 50 50 15643 1 . GLN 51 51 15643 1 . PRO 52 52 15643 1 . TYR 53 53 15643 1 . CYS 54 54 15643 1 . SER 55 55 15643 1 . VAL 56 56 15643 1 . ASN 57 57 15643 1 . LEU 58 58 15643 1 . VAL 59 59 15643 1 . GLU 60 60 15643 1 . THR 61 61 15643 1 . ASP 62 62 15643 1 . GLY 63 63 15643 1 . SER 64 64 15643 1 . ILE 65 65 15643 1 . PHE 66 66 15643 1 . ASN 67 67 15643 1 . GLU 68 68 15643 1 . SER 69 69 15643 1 . LEU 70 70 15643 1 . THR 71 71 15643 1 . ALA 72 72 15643 1 . ASN 73 73 15643 1 . ASP 74 74 15643 1 . PRO 75 75 15643 1 . ASP 76 76 15643 1 . PHE 77 77 15643 1 . LEU 78 78 15643 1 . ALA 79 79 15643 1 . THR 80 80 15643 1 . SER 81 81 15643 1 . ASP 82 82 15643 1 . LEU 83 83 15643 1 . LEU 84 84 15643 1 . LEU 85 85 15643 1 . VAL 86 86 15643 1 . THR 87 87 15643 1 . LEU 88 88 15643 1 . LYS 89 89 15643 1 . ALA 90 90 15643 1 . TRP 91 91 15643 1 . GLN 92 92 15643 1 . VAL 93 93 15643 1 . SER 94 94 15643 1 . ASP 95 95 15643 1 . ALA 96 96 15643 1 . VAL 97 97 15643 1 . LYS 98 98 15643 1 . SER 99 99 15643 1 . LEU 100 100 15643 1 . ALA 101 101 15643 1 . SER 102 102 15643 1 . THR 103 103 15643 1 . LEU 104 104 15643 1 . PRO 105 105 15643 1 . VAL 106 106 15643 1 . THR 107 107 15643 1 . THR 108 108 15643 1 . PRO 109 109 15643 1 . ILE 110 110 15643 1 . LEU 111 111 15643 1 . LEU 112 112 15643 1 . ILE 113 113 15643 1 . HIS 114 114 15643 1 . ASN 115 115 15643 1 . GLY 116 116 15643 1 . MET 117 117 15643 1 . GLY 118 118 15643 1 . THR 119 119 15643 1 . ILE 120 120 15643 1 . GLU 121 121 15643 1 . GLU 122 122 15643 1 . LEU 123 123 15643 1 . GLN 124 124 15643 1 . ASN 125 125 15643 1 . ILE 126 126 15643 1 . GLN 127 127 15643 1 . GLN 128 128 15643 1 . PRO 129 129 15643 1 . LEU 130 130 15643 1 . LEU 131 131 15643 1 . MET 132 132 15643 1 . GLY 133 133 15643 1 . THR 134 134 15643 1 . THR 135 135 15643 1 . THR 136 136 15643 1 . HIS 137 137 15643 1 . ALA 138 138 15643 1 . ALA 139 139 15643 1 . ARG 140 140 15643 1 . ARG 141 141 15643 1 . ASP 142 142 15643 1 . GLY 143 143 15643 1 . ASN 144 144 15643 1 . VAL 145 145 15643 1 . ILE 146 146 15643 1 . ILE 147 147 15643 1 . HIS 148 148 15643 1 . VAL 149 149 15643 1 . ALA 150 150 15643 1 . ASN 151 151 15643 1 . GLY 152 152 15643 1 . ILE 153 153 15643 1 . THR 154 154 15643 1 . HIS 155 155 15643 1 . ILE 156 156 15643 1 . GLY 157 157 15643 1 . PRO 158 158 15643 1 . ALA 159 159 15643 1 . ARG 160 160 15643 1 . GLN 161 161 15643 1 . GLN 162 162 15643 1 . ASP 163 163 15643 1 . GLY 164 164 15643 1 . ASP 165 165 15643 1 . TYR 166 166 15643 1 . SER 167 167 15643 1 . TYR 168 168 15643 1 . LEU 169 169 15643 1 . ALA 170 170 15643 1 . ASP 171 171 15643 1 . ILE 172 172 15643 1 . LEU 173 173 15643 1 . GLN 174 174 15643 1 . THR 175 175 15643 1 . VAL 176 176 15643 1 . LEU 177 177 15643 1 . PRO 178 178 15643 1 . ASP 179 179 15643 1 . VAL 180 180 15643 1 . ALA 181 181 15643 1 . TRP 182 182 15643 1 . HIS 183 183 15643 1 . ASN 184 184 15643 1 . ASN 185 185 15643 1 . ILE 186 186 15643 1 . ARG 187 187 15643 1 . ALA 188 188 15643 1 . GLU 189 189 15643 1 . LEU 190 190 15643 1 . TRP 191 191 15643 1 . ARG 192 192 15643 1 . LYS 193 193 15643 1 . LEU 194 194 15643 1 . ALA 195 195 15643 1 . VAL 196 196 15643 1 . ASN 197 197 15643 1 . CYS 198 198 15643 1 . VAL 199 199 15643 1 . ILE 200 200 15643 1 . ASN 201 201 15643 1 . PRO 202 202 15643 1 . LEU 203 203 15643 1 . THR 204 204 15643 1 . ALA 205 205 15643 1 . ILE 206 206 15643 1 . TRP 207 207 15643 1 . ASN 208 208 15643 1 . CYS 209 209 15643 1 . PRO 210 210 15643 1 . ASN 211 211 15643 1 . GLY 212 212 15643 1 . GLU 213 213 15643 1 . LEU 214 214 15643 1 . ARG 215 215 15643 1 . HIS 216 216 15643 1 . HIS 217 217 15643 1 . PRO 218 218 15643 1 . GLN 219 219 15643 1 . GLU 220 220 15643 1 . ILE 221 221 15643 1 . MET 222 222 15643 1 . GLN 223 223 15643 1 . ILE 224 224 15643 1 . CYS 225 225 15643 1 . GLU 226 226 15643 1 . GLU 227 227 15643 1 . VAL 228 228 15643 1 . ALA 229 229 15643 1 . ALA 230 230 15643 1 . VAL 231 231 15643 1 . ILE 232 232 15643 1 . GLU 233 233 15643 1 . ARG 234 234 15643 1 . GLU 235 235 15643 1 . GLY 236 236 15643 1 . HIS 237 237 15643 1 . HIS 238 238 15643 1 . THR 239 239 15643 1 . SER 240 240 15643 1 . ALA 241 241 15643 1 . GLU 242 242 15643 1 . ASP 243 243 15643 1 . LEU 244 244 15643 1 . ARG 245 245 15643 1 . ASP 246 246 15643 1 . TYR 247 247 15643 1 . VAL 248 248 15643 1 . MET 249 249 15643 1 . GLN 250 250 15643 1 . VAL 251 251 15643 1 . ILE 252 252 15643 1 . ASP 253 253 15643 1 . ALA 254 254 15643 1 . THR 255 255 15643 1 . ALA 256 256 15643 1 . GLU 257 257 15643 1 . ASN 258 258 15643 1 . ILE 259 259 15643 1 . SER 260 260 15643 1 . SER 261 261 15643 1 . MET 262 262 15643 1 . LEU 263 263 15643 1 . GLN 264 264 15643 1 . ASP 265 265 15643 1 . ILE 266 266 15643 1 . ARG 267 267 15643 1 . ALA 268 268 15643 1 . LEU 269 269 15643 1 . ARG 270 270 15643 1 . HIS 271 271 15643 1 . THR 272 272 15643 1 . GLU 273 273 15643 1 . ILE 274 274 15643 1 . ASP 275 275 15643 1 . TYR 276 276 15643 1 . ILE 277 277 15643 1 . ASN 278 278 15643 1 . GLY 279 279 15643 1 . PHE 280 280 15643 1 . LEU 281 281 15643 1 . LEU 282 282 15643 1 . ARG 283 283 15643 1 . ARG 284 284 15643 1 . ALA 285 285 15643 1 . ARG 286 286 15643 1 . ALA 287 287 15643 1 . HIS 288 288 15643 1 . GLY 289 289 15643 1 . ILE 290 290 15643 1 . ALA 291 291 15643 1 . VAL 292 292 15643 1 . PRO 293 293 15643 1 . GLU 294 294 15643 1 . ASN 295 295 15643 1 . THR 296 296 15643 1 . ARG 297 297 15643 1 . LEU 298 298 15643 1 . PHE 299 299 15643 1 . GLU 300 300 15643 1 . MET 301 301 15643 1 . VAL 302 302 15643 1 . LYS 303 303 15643 1 . ARG 304 304 15643 1 . LYS 305 305 15643 1 . GLU 306 306 15643 1 . SER 307 307 15643 1 . GLU 308 308 15643 1 . TYR 309 309 15643 1 . GLU 310 310 15643 1 . ARG 311 311 15643 1 . ILE 312 312 15643 1 . GLY 313 313 15643 1 . THR 314 314 15643 1 . GLY 315 315 15643 1 . LEU 316 316 15643 1 . PRO 317 317 15643 1 . ARG 318 318 15643 1 . PRO 319 319 15643 1 . TRP 320 320 15643 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15643 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $KPR . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . panE . . . . 15643 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15643 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $KPR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) C41 . . . . . . . . . . . . . . pRSETA . . . . . . 15643 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15643 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KPR '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $KPR . . 0.6 . . mM 0.06 . . . 15643 1 2 HEPES 'natural abundance' . . . . . . 100 . . mM 5 . . . 15643 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 5 . . . 15643 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15643 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15643 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 15643 _Sample_condition_list.ID 1 _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' 0.15 . M 15643 1 pH 7.6 0.1 pH 15643 1 pressure 1 . atm 15643 1 temperature 298 0.1 K 15643 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15643 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15643 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15643 1 processing 15643 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15643 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15643 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15643 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15643 1 2 spectrometer_2 Bruker AMX . 800 . . . 15643 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15643 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15643 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15643 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15643 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15643 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15643 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15643 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15643 1 8 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15643 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15643 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 15643 1 H 1 water protons . . . . ppm 4.762 internal direct 1 . . . . . . . . . 15643 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15643 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15643 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 15643 1 3 '3D HNCA' . . . 15643 1 4 '3D HNCACB' . . . 15643 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 19 19 LYS C C 13 176.777 0.05 . 1 . . . . 2 LYS C . 15643 1 2 . 1 1 19 19 LYS CA C 13 55.184 0.05 . 1 . . . . 2 LYS CA . 15643 1 3 . 1 1 20 20 ILE H H 1 9.374 0.01 . 1 . . . . 3 ILE HN . 15643 1 4 . 1 1 20 20 ILE C C 13 175.557 0.05 . 1 . . . . 3 ILE C . 15643 1 5 . 1 1 20 20 ILE CA C 13 60.416 0.05 . 1 . . . . 3 ILE CA . 15643 1 6 . 1 1 20 20 ILE CB C 13 42.879 0.05 . 1 . . . . 3 ILE CB . 15643 1 7 . 1 1 20 20 ILE N N 15 126.692 0.1 . 1 . . . . 3 ILE N . 15643 1 8 . 1 1 21 21 THR H H 1 7.835 0.01 . 1 . . . . 4 THR HN . 15643 1 9 . 1 1 21 21 THR C C 13 172.47 0.05 . 1 . . . . 4 THR C . 15643 1 10 . 1 1 21 21 THR CA C 13 62.179 0.05 . 1 . . . . 4 THR CA . 15643 1 11 . 1 1 21 21 THR CB C 13 70.904 0.05 . 1 . . . . 4 THR CB . 15643 1 12 . 1 1 21 21 THR N N 15 121.191 0.1 . 1 . . . . 4 THR N . 15643 1 13 . 1 1 22 22 VAL H H 1 9.015 0.01 . 1 . . . . 5 VAL HN . 15643 1 14 . 1 1 22 22 VAL C C 13 173.267 0.05 . 1 . . . . 5 VAL C . 15643 1 15 . 1 1 22 22 VAL CA C 13 61.033 0.05 . 1 . . . . 5 VAL CA . 15643 1 16 . 1 1 22 22 VAL CB C 13 31.863 0.05 . 1 . . . . 5 VAL CB . 15643 1 17 . 1 1 22 22 VAL N N 15 130.458 0.1 . 1 . . . . 5 VAL N . 15643 1 18 . 1 1 23 23 LEU H H 1 8.994 0.01 . 1 . . . . 6 LEU HN . 15643 1 19 . 1 1 23 23 LEU C C 13 174.68 0.05 . 1 . . . . 6 LEU C . 15643 1 20 . 1 1 23 23 LEU CA C 13 54.071 0.05 . 1 . . . . 6 LEU CA . 15643 1 21 . 1 1 23 23 LEU CB C 13 43.32 0.05 . 1 . . . . 6 LEU CB . 15643 1 22 . 1 1 23 23 LEU N N 15 128.283 0.1 . 1 . . . . 6 LEU N . 15643 1 23 . 1 1 24 24 GLY H H 1 9.028 0.01 . 1 . . . . 7 GLY HN . 15643 1 24 . 1 1 24 24 GLY CA C 13 45.12 0.05 . 1 . . . . 7 GLY CA . 15643 1 25 . 1 1 24 24 GLY N N 15 121.334 0.1 . 1 . . . . 7 GLY N . 15643 1 26 . 1 1 25 25 CYS H H 1 8.34 0.01 . 1 . . . . 8 CYS HN . 15643 1 27 . 1 1 25 25 CYS CA C 13 53.116 0.05 . 1 . . . . 8 CYS CA . 15643 1 28 . 1 1 25 25 CYS N N 15 123.289 0.1 . 1 . . . . 8 CYS N . 15643 1 29 . 1 1 26 26 GLY H H 1 7.988 0.01 . 1 . . . . 9 GLY HN . 15643 1 30 . 1 1 26 26 GLY CA C 13 43.633 0.05 . 1 . . . . 9 GLY CA . 15643 1 31 . 1 1 26 26 GLY N N 15 110.569 0.1 . 1 . . . . 9 GLY N . 15643 1 32 . 1 1 27 27 ALA C C 13 177.927 0.05 . 1 . . . . 10 ALA C . 15643 1 33 . 1 1 27 27 ALA CA C 13 55.823 0.05 . 1 . . . . 10 ALA CA . 15643 1 34 . 1 1 27 27 ALA CB C 13 17.659 0.05 . 1 . . . . 10 ALA CB . 15643 1 35 . 1 1 28 28 LEU H H 1 8.437 0.01 . 1 . . . . 11 LEU HN . 15643 1 36 . 1 1 28 28 LEU C C 13 179.113 0.05 . 1 . . . . 11 LEU C . 15643 1 37 . 1 1 28 28 LEU CA C 13 56.979 0.05 . 1 . . . . 11 LEU CA . 15643 1 38 . 1 1 28 28 LEU CB C 13 40.894 0.05 . 1 . . . . 11 LEU CB . 15643 1 39 . 1 1 28 28 LEU N N 15 115.758 0.1 . 1 . . . . 11 LEU N . 15643 1 40 . 1 1 29 29 GLY H H 1 7.664 0.01 . 1 . . . . 12 GLY HN . 15643 1 41 . 1 1 29 29 GLY C C 13 176.109 0.05 . 1 . . . . 12 GLY C . 15643 1 42 . 1 1 29 29 GLY CA C 13 47.938 0.05 . 1 . . . . 12 GLY CA . 15643 1 43 . 1 1 29 29 GLY N N 15 107.956 0.1 . 1 . . . . 12 GLY N . 15643 1 44 . 1 1 30 30 GLN H H 1 8.737 0.01 . 1 . . . . 13 GLN HN . 15643 1 45 . 1 1 30 30 GLN C C 13 178.544 0.05 . 1 . . . . 13 GLN C . 15643 1 46 . 1 1 30 30 GLN CA C 13 60.554 0.05 . 1 . . . . 13 GLN CA . 15643 1 47 . 1 1 30 30 GLN CB C 13 27.647 0.05 . 1 . . . . 13 GLN CB . 15643 1 48 . 1 1 30 30 GLN N N 15 119.043 0.1 . 1 . . . . 13 GLN N . 15643 1 49 . 1 1 31 31 LEU H H 1 7.667 0.01 . 1 . . . . 14 LEU HN . 15643 1 50 . 1 1 31 31 LEU C C 13 177.489 0.05 . 1 . . . . 14 LEU C . 15643 1 51 . 1 1 31 31 LEU CA C 13 58.346 0.05 . 1 . . . . 14 LEU CA . 15643 1 52 . 1 1 31 31 LEU CB C 13 40.158 0.05 . 1 . . . . 14 LEU CB . 15643 1 53 . 1 1 31 31 LEU N N 15 123.72 0.1 . 1 . . . . 14 LEU N . 15643 1 54 . 1 1 32 32 TRP H H 1 7.582 0.01 . 1 . . . . 15 TRP HN . 15643 1 55 . 1 1 32 32 TRP C C 13 178.426 0.05 . 1 . . . . 15 TRP C . 15643 1 56 . 1 1 32 32 TRP CA C 13 61.474 0.05 . 1 . . . . 15 TRP CA . 15643 1 57 . 1 1 32 32 TRP CB C 13 28.488 0.05 . 1 . . . . 15 TRP CB . 15643 1 58 . 1 1 32 32 TRP N N 15 117.925 0.1 . 1 . . . . 15 TRP N . 15643 1 59 . 1 1 33 33 LEU H H 1 9.135 0.01 . 1 . . . . 16 LEU HN . 15643 1 60 . 1 1 33 33 LEU C C 13 178.252 0.05 . 1 . . . . 16 LEU C . 15643 1 61 . 1 1 33 33 LEU CA C 13 59.006 0.05 . 1 . . . . 16 LEU CA . 15643 1 62 . 1 1 33 33 LEU CB C 13 42.174 0.05 . 1 . . . . 16 LEU CB . 15643 1 63 . 1 1 33 33 LEU N N 15 119.584 0.1 . 1 . . . . 16 LEU N . 15643 1 64 . 1 1 34 34 THR H H 1 7.729 0.01 . 1 . . . . 17 THR HN . 15643 1 65 . 1 1 34 34 THR C C 13 175.208 0.05 . 1 . . . . 17 THR C . 15643 1 66 . 1 1 34 34 THR CA C 13 66.762 0.05 . 1 . . . . 17 THR CA . 15643 1 67 . 1 1 34 34 THR CB C 13 67.995 0.05 . 1 . . . . 17 THR CB . 15643 1 68 . 1 1 34 34 THR N N 15 115.217 0.1 . 1 . . . . 17 THR N . 15643 1 69 . 1 1 35 35 ALA H H 1 7.298 0.01 . 1 . . . . 18 ALA HN . 15643 1 70 . 1 1 35 35 ALA C C 13 180.996 0.05 . 1 . . . . 18 ALA C . 15643 1 71 . 1 1 35 35 ALA CA C 13 54.952 0.05 . 1 . . . . 18 ALA CA . 15643 1 72 . 1 1 35 35 ALA CB C 13 18.203 0.05 . 1 . . . . 18 ALA CB . 15643 1 73 . 1 1 35 35 ALA N N 15 123.239 0.1 . 1 . . . . 18 ALA N . 15643 1 74 . 1 1 36 36 LEU H H 1 8.673 0.01 . 1 . . . . 19 LEU HN . 15643 1 75 . 1 1 36 36 LEU C C 13 178.853 0.05 . 1 . . . . 19 LEU C . 15643 1 76 . 1 1 36 36 LEU CA C 13 58.125 0.05 . 1 . . . . 19 LEU CA . 15643 1 77 . 1 1 36 36 LEU CB C 13 42.35 0.05 . 1 . . . . 19 LEU CB . 15643 1 78 . 1 1 36 36 LEU N N 15 118.355 0.1 . 1 . . . . 19 LEU N . 15643 1 79 . 1 1 37 37 CYS H H 1 8.267 0.01 . 1 . . . . 20 CYS HN . 15643 1 80 . 1 1 37 37 CYS C C 13 179.827 0.05 . 1 . . . . 20 CYS C . 15643 1 81 . 1 1 37 37 CYS CA C 13 63.236 0.05 . 1 . . . . 20 CYS CA . 15643 1 82 . 1 1 37 37 CYS CB C 13 26.928 0.05 . 1 . . . . 20 CYS CB . 15643 1 83 . 1 1 37 37 CYS N N 15 119.513 0.1 . 1 . . . . 20 CYS N . 15643 1 84 . 1 1 38 38 LYS H H 1 8.223 0.01 . 1 . . . . 21 LYS HN . 15643 1 85 . 1 1 38 38 LYS C C 13 178.187 0.05 . 1 . . . . 21 LYS C . 15643 1 86 . 1 1 38 38 LYS CA C 13 59.535 0.05 . 1 . . . . 21 LYS CA . 15643 1 87 . 1 1 38 38 LYS CB C 13 32.039 0.05 . 1 . . . . 21 LYS CB . 15643 1 88 . 1 1 38 38 LYS N N 15 120.827 0.1 . 1 . . . . 21 LYS N . 15643 1 89 . 1 1 39 39 GLN H H 1 7.077 0.01 . 1 . . . . 22 GLN HN . 15643 1 90 . 1 1 39 39 GLN C C 13 175.557 0.05 . 1 . . . . 22 GLN C . 15643 1 91 . 1 1 39 39 GLN CA C 13 54.159 0.05 . 1 . . . . 22 GLN CA . 15643 1 92 . 1 1 39 39 GLN CB C 13 28.426 0.05 . 1 . . . . 22 GLN CB . 15643 1 93 . 1 1 39 39 GLN N N 15 114.488 0.1 . 1 . . . . 22 GLN N . 15643 1 94 . 1 1 40 40 GLY H H 1 7.729 0.01 . 1 . . . . 23 GLY HN . 15643 1 95 . 1 1 40 40 GLY C C 13 174.583 0.05 . 1 . . . . 23 GLY C . 15643 1 96 . 1 1 40 40 GLY CA C 13 45.523 0.05 . 1 . . . . 23 GLY CA . 15643 1 97 . 1 1 40 40 GLY N N 15 106.64 0.1 . 1 . . . . 23 GLY N . 15643 1 98 . 1 1 41 41 HIS H H 1 7.314 0.01 . 1 . . . . 24 HIS HN . 15643 1 99 . 1 1 41 41 HIS C C 13 174.518 0.05 . 1 . . . . 24 HIS C . 15643 1 100 . 1 1 41 41 HIS CA C 13 56.627 0.05 . 1 . . . . 24 HIS CA . 15643 1 101 . 1 1 41 41 HIS CB C 13 30.893 0.05 . 1 . . . . 24 HIS CB . 15643 1 102 . 1 1 41 41 HIS N N 15 119.816 0.1 . 1 . . . . 24 HIS N . 15643 1 103 . 1 1 42 42 GLU H H 1 8.646 0.01 . 1 . . . . 25 GLU HN . 15643 1 104 . 1 1 42 42 GLU C C 13 175.443 0.05 . 1 . . . . 25 GLU C . 15643 1 105 . 1 1 42 42 GLU CA C 13 56.186 0.05 . 1 . . . . 25 GLU CA . 15643 1 106 . 1 1 42 42 GLU CB C 13 30.541 0.05 . 1 . . . . 25 GLU CB . 15643 1 107 . 1 1 42 42 GLU N N 15 123.899 0.1 . 1 . . . . 25 GLU N . 15643 1 108 . 1 1 43 43 VAL H H 1 8.26 0.01 . 1 . . . . 26 VAL HN . 15643 1 109 . 1 1 43 43 VAL C C 13 173.706 0.05 . 1 . . . . 26 VAL C . 15643 1 110 . 1 1 43 43 VAL CA C 13 58.213 0.05 . 1 . . . . 26 VAL CA . 15643 1 111 . 1 1 43 43 VAL CB C 13 35.829 0.05 . 1 . . . . 26 VAL CB . 15643 1 112 . 1 1 43 43 VAL N N 15 118.589 0.1 . 1 . . . . 26 VAL N . 15643 1 113 . 1 1 44 44 GLN H H 1 7.865 0.01 . 1 . . . . 27 GLN HN . 15643 1 114 . 1 1 44 44 GLN C C 13 174.631 0.05 . 1 . . . . 27 GLN C . 15643 1 115 . 1 1 44 44 GLN CA C 13 52.925 0.05 . 1 . . . . 27 GLN CA . 15643 1 116 . 1 1 44 44 GLN CB C 13 29.131 0.05 . 1 . . . . 27 GLN CB . 15643 1 117 . 1 1 44 44 GLN N N 15 118.183 0.1 . 1 . . . . 27 GLN N . 15643 1 118 . 1 1 45 45 GLY H H 1 8.92 0.01 . 1 . . . . 28 GLY HN . 15643 1 119 . 1 1 45 45 GLY C C 13 172.391 0.05 . 1 . . . . 28 GLY C . 15643 1 120 . 1 1 45 45 GLY CA C 13 43.408 0.05 . 1 . . . . 28 GLY CA . 15643 1 121 . 1 1 45 45 GLY N N 15 108.43 0.1 . 1 . . . . 28 GLY N . 15643 1 122 . 1 1 46 46 TRP H H 1 7.658 0.01 . 1 . . . . 29 TRP HN . 15643 1 123 . 1 1 46 46 TRP C C 13 174.371 0.05 . 1 . . . . 29 TRP C . 15643 1 124 . 1 1 46 46 TRP CA C 13 57.806 0.05 . 1 . . . . 29 TRP CA . 15643 1 125 . 1 1 46 46 TRP CB C 13 29.572 0.05 . 1 . . . . 29 TRP CB . 15643 1 126 . 1 1 46 46 TRP N N 15 118.977 0.1 . 1 . . . . 29 TRP N . 15643 1 127 . 1 1 47 47 LEU H H 1 9.453 0.01 . 1 . . . . 30 LEU HN . 15643 1 128 . 1 1 47 47 LEU C C 13 177.392 0.05 . 1 . . . . 30 LEU C . 15643 1 129 . 1 1 47 47 LEU CA C 13 57.772 0.05 . 1 . . . . 30 LEU CA . 15643 1 130 . 1 1 47 47 LEU CB C 13 43.936 0.05 . 1 . . . . 30 LEU CB . 15643 1 131 . 1 1 47 47 LEU N N 15 132 0 . 1 . . . . 30 LEU N . 15643 1 132 . 1 1 48 48 ARG H H 1 9.438 0.01 . 1 . . . . 31 ARG HN . 15643 1 133 . 1 1 48 48 ARG CA C 13 53.719 0.05 . 1 . . . . 31 ARG CA . 15643 1 134 . 1 1 48 48 ARG N N 15 109.675 0.1 . 1 . . . . 31 ARG N . 15643 1 135 . 1 1 50 50 PRO CA C 13 64.022 0.05 . 1 . . . . 33 PRO CA . 15643 1 136 . 1 1 51 51 GLN H H 1 6.711 0.01 . 1 . . . . 34 GLN HN . 15643 1 137 . 1 1 51 51 GLN CA C 13 52.754 0.05 . 1 . . . . 34 GLN CA . 15643 1 138 . 1 1 51 51 GLN N N 15 119.277 0.1 . 1 . . . . 34 GLN N . 15643 1 139 . 1 1 52 52 PRO C C 13 175.672 0.05 . 1 . . . . 35 PRO C . 15643 1 140 . 1 1 52 52 PRO CA C 13 63.942 0.05 . 1 . . . . 35 PRO CA . 15643 1 141 . 1 1 52 52 PRO CB C 13 30.982 0.05 . 1 . . . . 35 PRO CB . 15643 1 142 . 1 1 53 53 TYR H H 1 6.779 0.01 . 1 . . . . 36 TYR HN . 15643 1 143 . 1 1 53 53 TYR C C 13 173.645 0.05 . 1 . . . . 36 TYR C . 15643 1 144 . 1 1 53 53 TYR CA C 13 55.147 0.05 . 1 . . . . 36 TYR CA . 15643 1 145 . 1 1 53 53 TYR CB C 13 41.123 0.05 . 1 . . . . 36 TYR CB . 15643 1 146 . 1 1 53 53 TYR N N 15 111.815 0.1 . 1 . . . . 36 TYR N . 15643 1 147 . 1 1 54 54 CYS H H 1 8.988 0.01 . 1 . . . . 37 CYS HN . 15643 1 148 . 1 1 54 54 CYS C C 13 172.848 0.05 . 1 . . . . 37 CYS C . 15643 1 149 . 1 1 54 54 CYS CA C 13 55.374 0.05 . 1 . . . . 37 CYS CA . 15643 1 150 . 1 1 54 54 CYS CB C 13 29.845 0.05 . 1 . . . . 37 CYS CB . 15643 1 151 . 1 1 54 54 CYS N N 15 117.637 0.1 . 1 . . . . 37 CYS N . 15643 1 152 . 1 1 55 55 SER H H 1 8.728 0.01 . 1 . . . . 38 SER HN . 15643 1 153 . 1 1 55 55 SER C C 13 173.386 0.05 . 1 . . . . 38 SER C . 15643 1 154 . 1 1 55 55 SER CA C 13 57.709 0.05 . 1 . . . . 38 SER CA . 15643 1 155 . 1 1 55 55 SER CB C 13 63.679 0.05 . 1 . . . . 38 SER CB . 15643 1 156 . 1 1 55 55 SER N N 15 122.931 0.1 . 1 . . . . 38 SER N . 15643 1 157 . 1 1 56 56 VAL H H 1 8.533 0.01 . 1 . . . . 39 VAL HN . 15643 1 158 . 1 1 56 56 VAL C C 13 174.573 0.05 . 1 . . . . 39 VAL C . 15643 1 159 . 1 1 56 56 VAL CA C 13 60.769 0.05 . 1 . . . . 39 VAL CA . 15643 1 160 . 1 1 56 56 VAL CB C 13 32.993 0.05 . 1 . . . . 39 VAL CB . 15643 1 161 . 1 1 56 56 VAL N N 15 128.823 0.1 . 1 . . . . 39 VAL N . 15643 1 162 . 1 1 57 57 ASN H H 1 8.19 0.01 . 1 . . . . 40 ASN HN . 15643 1 163 . 1 1 57 57 ASN C C 13 172.199 0.05 . 1 . . . . 40 ASN C . 15643 1 164 . 1 1 57 57 ASN CA C 13 52.281 0.05 . 1 . . . . 40 ASN CA . 15643 1 165 . 1 1 57 57 ASN CB C 13 39.725 0.05 . 1 . . . . 40 ASN CB . 15643 1 166 . 1 1 57 57 ASN N N 15 127.246 0.1 . 1 . . . . 40 ASN N . 15643 1 167 . 1 1 58 58 LEU H H 1 9.023 0.01 . 1 . . . . 41 LEU HN . 15643 1 168 . 1 1 58 58 LEU C C 13 174.925 0.05 . 1 . . . . 41 LEU C . 15643 1 169 . 1 1 58 58 LEU CA C 13 53.534 0.05 . 1 . . . . 41 LEU CA . 15643 1 170 . 1 1 58 58 LEU CB C 13 45.932 0.05 . 1 . . . . 41 LEU CB . 15643 1 171 . 1 1 58 58 LEU N N 15 127.68 0.1 . 1 . . . . 41 LEU N . 15643 1 172 . 1 1 59 59 VAL H H 1 9.318 0.01 . 1 . . . . 42 VAL HN . 15643 1 173 . 1 1 59 59 VAL C C 13 175.426 0.05 . 1 . . . . 42 VAL C . 15643 1 174 . 1 1 59 59 VAL CA C 13 61.114 0.05 . 1 . . . . 42 VAL CA . 15643 1 175 . 1 1 59 59 VAL CB C 13 32.381 0.05 . 1 . . . . 42 VAL CB . 15643 1 176 . 1 1 59 59 VAL N N 15 128.556 0.1 . 1 . . . . 42 VAL N . 15643 1 177 . 1 1 60 60 GLU H H 1 8.87 0.01 . 1 . . . . 43 GLU HN . 15643 1 178 . 1 1 60 60 GLU C C 13 179.932 0.05 . 1 . . . . 43 GLU C . 15643 1 179 . 1 1 60 60 GLU CA C 13 56.038 0.05 . 1 . . . . 43 GLU CA . 15643 1 180 . 1 1 60 60 GLU N N 15 127.379 0.1 . 1 . . . . 43 GLU N . 15643 1 181 . 1 1 61 61 THR H H 1 9.56 0.01 . 1 . . . . 44 THR HN . 15643 1 182 . 1 1 61 61 THR C C 13 175.593 0.05 . 1 . . . . 44 THR C . 15643 1 183 . 1 1 61 61 THR CA C 13 64.674 0.05 . 1 . . . . 44 THR CA . 15643 1 184 . 1 1 61 61 THR CB C 13 68.313 0.05 . 1 . . . . 44 THR CB . 15643 1 185 . 1 1 61 61 THR N N 15 114.488 0.1 . 1 . . . . 44 THR N . 15643 1 186 . 1 1 62 62 ASP H H 1 7.512 0.01 . 1 . . . . 45 ASP HN . 15643 1 187 . 1 1 62 62 ASP C C 13 177.273 0.05 . 1 . . . . 45 ASP C . 15643 1 188 . 1 1 62 62 ASP CA C 13 52.879 0.05 . 1 . . . . 45 ASP CA . 15643 1 189 . 1 1 62 62 ASP CB C 13 39.737 0.05 . 1 . . . . 45 ASP CB . 15643 1 190 . 1 1 62 62 ASP N N 15 118.183 0.1 . 1 . . . . 45 ASP N . 15643 1 191 . 1 1 63 63 GLY H H 1 8.112 0.01 . 1 . . . . 46 GLY HN . 15643 1 192 . 1 1 63 63 GLY C C 13 174.144 0.05 . 1 . . . . 46 GLY C . 15643 1 193 . 1 1 63 63 GLY CA C 13 44.784 0.05 . 1 . . . . 46 GLY CA . 15643 1 194 . 1 1 63 63 GLY N N 15 109.675 0.1 . 1 . . . . 46 GLY N . 15643 1 195 . 1 1 64 64 SER H H 1 8.157 0.01 . 1 . . . . 47 SER HN . 15643 1 196 . 1 1 64 64 SER C C 13 172.894 0.05 . 1 . . . . 47 SER C . 15643 1 197 . 1 1 64 64 SER CA C 13 59.082 0.05 . 1 . . . . 47 SER CA . 15643 1 198 . 1 1 64 64 SER CB C 13 63.813 0.05 . 1 . . . . 47 SER CB . 15643 1 199 . 1 1 64 64 SER N N 15 118.53 0.1 . 1 . . . . 47 SER N . 15643 1 200 . 1 1 65 65 ILE H H 1 8.326 0.01 . 1 . . . . 48 ILE HN . 15643 1 201 . 1 1 65 65 ILE C C 13 175.654 0.05 . 1 . . . . 48 ILE C . 15643 1 202 . 1 1 65 65 ILE CA C 13 60.344 0.05 . 1 . . . . 48 ILE CA . 15643 1 203 . 1 1 65 65 ILE CB C 13 40.158 0.05 . 1 . . . . 48 ILE CB . 15643 1 204 . 1 1 65 65 ILE N N 15 121.236 0.1 . 1 . . . . 48 ILE N . 15643 1 205 . 1 1 66 66 PHE H H 1 9.172 0.01 . 1 . . . . 49 PHE HN . 15643 1 206 . 1 1 66 66 PHE C C 13 173.206 0.05 . 1 . . . . 49 PHE C . 15643 1 207 . 1 1 66 66 PHE CA C 13 57.161 0.05 . 1 . . . . 49 PHE CA . 15643 1 208 . 1 1 66 66 PHE CB C 13 41.642 0.05 . 1 . . . . 49 PHE CB . 15643 1 209 . 1 1 66 66 PHE N N 15 131.562 0.1 . 1 . . . . 49 PHE N . 15643 1 210 . 1 1 67 67 ASN H H 1 8.281 0.01 . 1 . . . . 50 ASN HN . 15643 1 211 . 1 1 67 67 ASN C C 13 173.316 0.05 . 1 . . . . 50 ASN C . 15643 1 212 . 1 1 67 67 ASN CA C 13 51.466 0.05 . 1 . . . . 50 ASN CA . 15643 1 213 . 1 1 67 67 ASN CB C 13 39.862 0.05 . 1 . . . . 50 ASN CB . 15643 1 214 . 1 1 67 67 ASN N N 15 126.853 0.1 . 1 . . . . 50 ASN N . 15643 1 215 . 1 1 68 68 GLU H H 1 8.135 0.01 . 1 . . . . 51 GLU HN . 15643 1 216 . 1 1 68 68 GLU C C 13 174.773 0.05 . 1 . . . . 51 GLU C . 15643 1 217 . 1 1 68 68 GLU CA C 13 54.455 0.05 . 1 . . . . 51 GLU CA . 15643 1 218 . 1 1 68 68 GLU CB C 13 34.167 0.05 . 1 . . . . 51 GLU CB . 15643 1 219 . 1 1 68 68 GLU N N 15 122.637 0.1 . 1 . . . . 51 GLU N . 15643 1 220 . 1 1 69 69 SER H H 1 8.816 0.01 . 1 . . . . 52 SER HN . 15643 1 221 . 1 1 69 69 SER C C 13 173.535 0.05 . 1 . . . . 52 SER C . 15643 1 222 . 1 1 69 69 SER CA C 13 57.089 0.05 . 1 . . . . 52 SER CA . 15643 1 223 . 1 1 69 69 SER CB C 13 63.71 0.05 . 1 . . . . 52 SER CB . 15643 1 224 . 1 1 69 69 SER N N 15 119.526 0.1 . 1 . . . . 52 SER N . 15643 1 225 . 1 1 70 70 LEU H H 1 8.313 0.01 . 1 . . . . 53 LEU HN . 15643 1 226 . 1 1 70 70 LEU C C 13 176.198 0.05 . 1 . . . . 53 LEU C . 15643 1 227 . 1 1 70 70 LEU CA C 13 52.889 0.05 . 1 . . . . 53 LEU CA . 15643 1 228 . 1 1 70 70 LEU CB C 13 44.062 0.05 . 1 . . . . 53 LEU CB . 15643 1 229 . 1 1 70 70 LEU N N 15 127.743 0.1 . 1 . . . . 53 LEU N . 15643 1 230 . 1 1 71 71 THR H H 1 8.531 0.01 . 1 . . . . 54 THR HN . 15643 1 231 . 1 1 71 71 THR C C 13 171.436 0.05 . 1 . . . . 54 THR C . 15643 1 232 . 1 1 71 71 THR CA C 13 64.849 0.05 . 1 . . . . 54 THR CA . 15643 1 233 . 1 1 71 71 THR CB C 13 69.69 0.05 . 1 . . . . 54 THR CB . 15643 1 234 . 1 1 71 71 THR N N 15 118.871 0.1 . 1 . . . . 54 THR N . 15643 1 235 . 1 1 72 72 ALA H H 1 7.28 0.01 . 1 . . . . 55 ALA HN . 15643 1 236 . 1 1 72 72 ALA C C 13 175.336 0.05 . 1 . . . . 55 ALA C . 15643 1 237 . 1 1 72 72 ALA CA C 13 50.184 0.05 . 1 . . . . 55 ALA CA . 15643 1 238 . 1 1 72 72 ALA CB C 13 20.499 0.05 . 1 . . . . 55 ALA CB . 15643 1 239 . 1 1 72 72 ALA N N 15 123.936 0.1 . 1 . . . . 55 ALA N . 15643 1 240 . 1 1 73 73 ASN H H 1 7.321 0.01 . 1 . . . . 56 ASN HN . 15643 1 241 . 1 1 73 73 ASN C C 13 172.877 0.05 . 1 . . . . 56 ASN C . 15643 1 242 . 1 1 73 73 ASN CA C 13 54.657 0.05 . 1 . . . . 56 ASN CA . 15643 1 243 . 1 1 73 73 ASN CB C 13 34.21 0.05 . 1 . . . . 56 ASN CB . 15643 1 244 . 1 1 73 73 ASN N N 15 110.412 0.1 . 1 . . . . 56 ASN N . 15643 1 245 . 1 1 74 74 ASP H H 1 8.871 0.01 . 1 . . . . 57 ASP HN . 15643 1 246 . 1 1 74 74 ASP C C 13 177.028 0.05 . 1 . . . . 57 ASP C . 15643 1 247 . 1 1 74 74 ASP CA C 13 51.336 0.05 . 1 . . . . 57 ASP CA . 15643 1 248 . 1 1 74 74 ASP CB C 13 41.887 0.05 . 1 . . . . 57 ASP CB . 15643 1 249 . 1 1 74 74 ASP N N 15 119.812 0.1 . 1 . . . . 57 ASP N . 15643 1 250 . 1 1 75 75 PRO C C 13 178.745 0.05 . 1 . . . . 58 PRO C . 15643 1 251 . 1 1 75 75 PRO CA C 13 64.691 0.05 . 1 . . . . 58 PRO CA . 15643 1 252 . 1 1 75 75 PRO CB C 13 31.571 0.05 . 1 . . . . 58 PRO CB . 15643 1 253 . 1 1 76 76 ASP H H 1 8.05 0.01 . 1 . . . . 59 ASP HN . 15643 1 254 . 1 1 76 76 ASP C C 13 178.234 0.05 . 1 . . . . 59 ASP C . 15643 1 255 . 1 1 76 76 ASP CA C 13 57.213 0.05 . 1 . . . . 59 ASP CA . 15643 1 256 . 1 1 76 76 ASP CB C 13 40.021 0.05 . 1 . . . . 59 ASP CB . 15643 1 257 . 1 1 76 76 ASP N N 15 122.698 0.1 . 1 . . . . 59 ASP N . 15643 1 258 . 1 1 77 77 PHE H H 1 7.881 0.01 . 1 . . . . 60 PHE HN . 15643 1 259 . 1 1 77 77 PHE C C 13 180.475 0.05 . 1 . . . . 60 PHE C . 15643 1 260 . 1 1 77 77 PHE CA C 13 58.864 0.05 . 1 . . . . 60 PHE CA . 15643 1 261 . 1 1 77 77 PHE CB C 13 37.884 0.05 . 1 . . . . 60 PHE CB . 15643 1 262 . 1 1 77 77 PHE N N 15 124.605 0.1 . 1 . . . . 60 PHE N . 15643 1 263 . 1 1 78 78 LEU H H 1 8.066 0.01 . 1 . . . . 61 LEU HN . 15643 1 264 . 1 1 78 78 LEU C C 13 177.866 0.05 . 1 . . . . 61 LEU C . 15643 1 265 . 1 1 78 78 LEU CA C 13 58.087 0.05 . 1 . . . . 61 LEU CA . 15643 1 266 . 1 1 78 78 LEU CB C 13 41.381 0.05 . 1 . . . . 61 LEU CB . 15643 1 267 . 1 1 78 78 LEU N N 15 123.323 0.1 . 1 . . . . 61 LEU N . 15643 1 268 . 1 1 79 79 ALA H H 1 7.853 0.01 . 1 . . . . 62 ALA HN . 15643 1 269 . 1 1 79 79 ALA C C 13 177.369 0.05 . 1 . . . . 62 ALA C . 15643 1 270 . 1 1 79 79 ALA CA C 13 53.813 0.05 . 1 . . . . 62 ALA CA . 15643 1 271 . 1 1 79 79 ALA CB C 13 18.556 0.05 . 1 . . . . 62 ALA CB . 15643 1 272 . 1 1 79 79 ALA N N 15 117.754 0.1 . 1 . . . . 62 ALA N . 15643 1 273 . 1 1 80 80 THR H H 1 7.004 0.01 . 1 . . . . 63 THR HN . 15643 1 274 . 1 1 80 80 THR C C 13 174.087 0.05 . 1 . . . . 63 THR C . 15643 1 275 . 1 1 80 80 THR CA C 13 59.183 0.05 . 1 . . . . 63 THR CA . 15643 1 276 . 1 1 80 80 THR CB C 13 68.877 0.05 . 1 . . . . 63 THR CB . 15643 1 277 . 1 1 80 80 THR N N 15 104.749 0.1 . 1 . . . . 63 THR N . 15643 1 278 . 1 1 81 81 SER H H 1 7.234 0.01 . 1 . . . . 64 SER HN . 15643 1 279 . 1 1 81 81 SER C C 13 172.871 0.05 . 1 . . . . 64 SER C . 15643 1 280 . 1 1 81 81 SER CA C 13 61.195 0.05 . 1 . . . . 64 SER CA . 15643 1 281 . 1 1 81 81 SER CB C 13 64.788 0.05 . 1 . . . . 64 SER CB . 15643 1 282 . 1 1 81 81 SER N N 15 118.441 0.1 . 1 . . . . 64 SER N . 15643 1 283 . 1 1 82 82 ASP H H 1 9.922 0.01 . 1 . . . . 65 ASP HN . 15643 1 284 . 1 1 82 82 ASP C C 13 175.096 0.05 . 1 . . . . 65 ASP C . 15643 1 285 . 1 1 82 82 ASP CA C 13 55.659 0.05 . 1 . . . . 65 ASP CA . 15643 1 286 . 1 1 82 82 ASP CB C 13 43.421 0.05 . 1 . . . . 65 ASP CB . 15643 1 287 . 1 1 82 82 ASP N N 15 122.824 0.1 . 1 . . . . 65 ASP N . 15643 1 288 . 1 1 83 83 LEU H H 1 7.105 0.01 . 1 . . . . 66 LEU HN . 15643 1 289 . 1 1 83 83 LEU C C 13 173.271 0.05 . 1 . . . . 66 LEU C . 15643 1 290 . 1 1 83 83 LEU CA C 13 54.59 0.05 . 1 . . . . 66 LEU CA . 15643 1 291 . 1 1 83 83 LEU CB C 13 45.169 0.05 . 1 . . . . 66 LEU CB . 15643 1 292 . 1 1 83 83 LEU N N 15 117.054 0.1 . 1 . . . . 66 LEU N . 15643 1 293 . 1 1 84 84 LEU H H 1 7.964 0.01 . 1 . . . . 67 LEU HN . 15643 1 294 . 1 1 84 84 LEU C C 13 172.678 0.05 . 1 . . . . 67 LEU C . 15643 1 295 . 1 1 84 84 LEU CA C 13 53.133 0.05 . 1 . . . . 67 LEU CA . 15643 1 296 . 1 1 84 84 LEU CB C 13 43.032 0.05 . 1 . . . . 67 LEU CB . 15643 1 297 . 1 1 84 84 LEU N N 15 127.225 0.1 . 1 . . . . 67 LEU N . 15643 1 298 . 1 1 85 85 LEU H H 1 8.756 0.01 . 1 . . . . 68 LEU HN . 15643 1 299 . 1 1 85 85 LEU C C 13 174.215 0.05 . 1 . . . . 68 LEU C . 15643 1 300 . 1 1 85 85 LEU CA C 13 53.813 0.05 . 1 . . . . 68 LEU CA . 15643 1 301 . 1 1 85 85 LEU CB C 13 44.101 0.05 . 1 . . . . 68 LEU CB . 15643 1 302 . 1 1 85 85 LEU N N 15 131.629 0.1 . 1 . . . . 68 LEU N . 15643 1 303 . 1 1 86 86 VAL H H 1 9.38 0.01 . 1 . . . . 69 VAL HN . 15643 1 304 . 1 1 86 86 VAL C C 13 175.016 0.05 . 1 . . . . 69 VAL C . 15643 1 305 . 1 1 86 86 VAL CA C 13 61.972 0.05 . 1 . . . . 69 VAL CA . 15643 1 306 . 1 1 86 86 VAL CB C 13 32.251 0.05 . 1 . . . . 69 VAL CB . 15643 1 307 . 1 1 86 86 VAL N N 15 127.615 0.1 . 1 . . . . 69 VAL N . 15643 1 308 . 1 1 87 87 THR H H 1 8.317 0.01 . 1 . . . . 70 THR HN . 15643 1 309 . 1 1 87 87 THR C C 13 173.895 0.05 . 1 . . . . 70 THR C . 15643 1 310 . 1 1 87 87 THR CA C 13 60.029 0.05 . 1 . . . . 70 THR CA . 15643 1 311 . 1 1 87 87 THR CB C 13 68.285 0.05 . 1 . . . . 70 THR CB . 15643 1 312 . 1 1 87 87 THR N N 15 114.927 0.1 . 1 . . . . 70 THR N . 15643 1 313 . 1 1 88 88 LEU H H 1 6.238 0.01 . 1 . . . . 71 LEU HN . 15643 1 314 . 1 1 88 88 LEU C C 13 176.985 0.05 . 1 . . . . 71 LEU C . 15643 1 315 . 1 1 88 88 LEU CA C 13 53.23 0.05 . 1 . . . . 71 LEU CA . 15643 1 316 . 1 1 88 88 LEU CB C 13 43.712 0.05 . 1 . . . . 71 LEU CB . 15643 1 317 . 1 1 88 88 LEU N N 15 120.009 0.1 . 1 . . . . 71 LEU N . 15643 1 318 . 1 1 89 89 LYS H H 1 7.554 0.01 . 1 . . . . 72 LYS HN . 15643 1 319 . 1 1 89 89 LYS C C 13 179.892 0.05 . 1 . . . . 72 LYS C . 15643 1 320 . 1 1 89 89 LYS CA C 13 54.784 0.05 . 1 . . . . 72 LYS CA . 15643 1 321 . 1 1 89 89 LYS CB C 13 31.863 0.05 . 1 . . . . 72 LYS CB . 15643 1 322 . 1 1 89 89 LYS N N 15 117.543 0.1 . 1 . . . . 72 LYS N . 15643 1 323 . 1 1 90 90 ALA H H 1 9.941 0.01 . 1 . . . . 73 ALA HN . 15643 1 324 . 1 1 90 90 ALA CA C 13 55.464 0.05 . 1 . . . . 73 ALA CA . 15643 1 325 . 1 1 90 90 ALA CB C 13 18.848 0.05 . 1 . . . . 73 ALA CB . 15643 1 326 . 1 1 90 90 ALA N N 15 122.54 0.1 . 1 . . . . 73 ALA N . 15643 1 327 . 1 1 91 91 TRP H H 1 6.156 0.01 . 1 . . . . 74 TRP HN . 15643 1 328 . 1 1 91 91 TRP C C 13 175.832 0.05 . 1 . . . . 74 TRP C . 15643 1 329 . 1 1 91 91 TRP CA C 13 55.27 0.05 . 1 . . . . 74 TRP CA . 15643 1 330 . 1 1 91 91 TRP CB C 13 28.463 0.05 . 1 . . . . 74 TRP CB . 15643 1 331 . 1 1 91 91 TRP N N 15 106.55 0.1 . 1 . . . . 74 TRP N . 15643 1 332 . 1 1 92 92 GLN H H 1 7.055 0.01 . 1 . . . . 75 GLN HN . 15643 1 333 . 1 1 92 92 GLN C C 13 176.628 0.05 . 1 . . . . 75 GLN C . 15643 1 334 . 1 1 92 92 GLN CA C 13 54.882 0.05 . 1 . . . . 75 GLN CA . 15643 1 335 . 1 1 92 92 GLN CB C 13 30.406 0.05 . 1 . . . . 75 GLN CB . 15643 1 336 . 1 1 92 92 GLN N N 15 118.511 0.1 . 1 . . . . 75 GLN N . 15643 1 337 . 1 1 93 93 VAL H H 1 6.321 0.01 . 1 . . . . 76 VAL HN . 15643 1 338 . 1 1 93 93 VAL C C 13 176.612 0.05 . 1 . . . . 76 VAL C . 15643 1 339 . 1 1 93 93 VAL CA C 13 67.072 0.05 . 1 . . . . 76 VAL CA . 15643 1 340 . 1 1 93 93 VAL CB C 13 31.957 0.05 . 1 . . . . 76 VAL CB . 15643 1 341 . 1 1 93 93 VAL N N 15 117.136 0.1 . 1 . . . . 76 VAL N . 15643 1 342 . 1 1 94 94 SER H H 1 9.021 0.01 . 1 . . . . 77 SER HN . 15643 1 343 . 1 1 94 94 SER C C 13 176.668 0.05 . 1 . . . . 77 SER C . 15643 1 344 . 1 1 94 94 SER CA C 13 62.762 0.05 . 1 . . . . 77 SER CA . 15643 1 345 . 1 1 94 94 SER CB C 13 61.605 0.05 . 1 . . . . 77 SER CB . 15643 1 346 . 1 1 94 94 SER N N 15 117.492 0.1 . 1 . . . . 77 SER N . 15643 1 347 . 1 1 95 95 ASP H H 1 8.869 0.01 . 1 . . . . 78 ASP HN . 15643 1 348 . 1 1 95 95 ASP C C 13 178.714 0.05 . 1 . . . . 78 ASP C . 15643 1 349 . 1 1 95 95 ASP CA C 13 57.295 0.05 . 1 . . . . 78 ASP CA . 15643 1 350 . 1 1 95 95 ASP CB C 13 40.263 0.05 . 1 . . . . 78 ASP CB . 15643 1 351 . 1 1 95 95 ASP N N 15 121.937 0.1 . 1 . . . . 78 ASP N . 15643 1 352 . 1 1 96 96 ALA H H 1 6.905 0.01 . 1 . . . . 79 ALA HN . 15643 1 353 . 1 1 96 96 ALA C C 13 180.011 0.05 . 1 . . . . 79 ALA C . 15643 1 354 . 1 1 96 96 ALA CA C 13 54.561 0.05 . 1 . . . . 79 ALA CA . 15643 1 355 . 1 1 96 96 ALA CB C 13 19.026 0.05 . 1 . . . . 79 ALA CB . 15643 1 356 . 1 1 96 96 ALA N N 15 120.051 0.1 . 1 . . . . 79 ALA N . 15643 1 357 . 1 1 97 97 VAL H H 1 8.484 0.01 . 1 . . . . 80 VAL HN . 15643 1 358 . 1 1 97 97 VAL C C 13 178.026 0.05 . 1 . . . . 80 VAL C . 15643 1 359 . 1 1 97 97 VAL CA C 13 66.967 0.05 . 1 . . . . 80 VAL CA . 15643 1 360 . 1 1 97 97 VAL CB C 13 30.59 0.05 . 1 . . . . 80 VAL CB . 15643 1 361 . 1 1 97 97 VAL N N 15 118.269 0.1 . 1 . . . . 80 VAL N . 15643 1 362 . 1 1 98 98 LYS H H 1 8.381 0.01 . 1 . . . . 81 LYS HN . 15643 1 363 . 1 1 98 98 LYS C C 13 179.114 0.05 . 1 . . . . 81 LYS C . 15643 1 364 . 1 1 98 98 LYS CA C 13 60.239 0.05 . 1 . . . . 81 LYS CA . 15643 1 365 . 1 1 98 98 LYS CB C 13 31.432 0.05 . 1 . . . . 81 LYS CB . 15643 1 366 . 1 1 98 98 LYS N N 15 118.182 0.1 . 1 . . . . 81 LYS N . 15643 1 367 . 1 1 99 99 SER H H 1 7.168 0.01 . 1 . . . . 82 SER HN . 15643 1 368 . 1 1 99 99 SER C C 13 175.48 0.05 . 1 . . . . 82 SER C . 15643 1 369 . 1 1 99 99 SER CA C 13 60.764 0.05 . 1 . . . . 82 SER CA . 15643 1 370 . 1 1 99 99 SER CB C 13 63.182 0.05 . 1 . . . . 82 SER CB . 15643 1 371 . 1 1 99 99 SER N N 15 112.597 0.1 . 1 . . . . 82 SER N . 15643 1 372 . 1 1 100 100 LEU H H 1 7.182 0.01 . 1 . . . . 83 LEU HN . 15643 1 373 . 1 1 100 100 LEU C C 13 178.874 0.05 . 1 . . . . 83 LEU C . 15643 1 374 . 1 1 100 100 LEU CA C 13 55.928 0.05 . 1 . . . . 83 LEU CA . 15643 1 375 . 1 1 100 100 LEU CB C 13 41.104 0.05 . 1 . . . . 83 LEU CB . 15643 1 376 . 1 1 100 100 LEU N N 15 119.775 0.1 . 1 . . . . 83 LEU N . 15643 1 377 . 1 1 101 101 ALA H H 1 7.94 0.01 . 1 . . . . 84 ALA HN . 15643 1 378 . 1 1 101 101 ALA C C 13 177.067 0.05 . 1 . . . . 84 ALA C . 15643 1 379 . 1 1 101 101 ALA CA C 13 55.087 0.05 . 1 . . . . 84 ALA CA . 15643 1 380 . 1 1 101 101 ALA CB C 13 17.869 0.05 . 1 . . . . 84 ALA CB . 15643 1 381 . 1 1 101 101 ALA N N 15 121.621 0.1 . 1 . . . . 84 ALA N . 15643 1 382 . 1 1 102 102 SER H H 1 7.686 0.01 . 1 . . . . 85 SER HN . 15643 1 383 . 1 1 102 102 SER C C 13 175.144 0.05 . 1 . . . . 85 SER C . 15643 1 384 . 1 1 102 102 SER CA C 13 59.713 0.05 . 1 . . . . 85 SER CA . 15643 1 385 . 1 1 102 102 SER CB C 13 62.867 0.05 . 1 . . . . 85 SER CB . 15643 1 386 . 1 1 102 102 SER N N 15 109.032 0.1 . 1 . . . . 85 SER N . 15643 1 387 . 1 1 103 103 THR H H 1 7.433 0.01 . 1 . . . . 86 THR HN . 15643 1 388 . 1 1 103 103 THR C C 13 173.815 0.05 . 1 . . . . 86 THR C . 15643 1 389 . 1 1 103 103 THR CA C 13 63.287 0.05 . 1 . . . . 86 THR CA . 15643 1 390 . 1 1 103 103 THR CB C 13 69.175 0.05 . 1 . . . . 86 THR CB . 15643 1 391 . 1 1 103 103 THR N N 15 117.754 0.1 . 1 . . . . 86 THR N . 15643 1 392 . 1 1 104 104 LEU H H 1 7.029 0.01 . 1 . . . . 87 LEU HN . 15643 1 393 . 1 1 104 104 LEU CA C 13 52.669 0.05 . 1 . . . . 87 LEU CA . 15643 1 394 . 1 1 104 104 LEU CB C 13 44.048 0.05 . 1 . . . . 87 LEU CB . 15643 1 395 . 1 1 104 104 LEU N N 15 124.285 0.1 . 1 . . . . 87 LEU N . 15643 1 396 . 1 1 105 105 PRO C C 13 179.843 0.05 . 1 . . . . 88 PRO C . 15643 1 397 . 1 1 105 105 PRO CA C 13 63.264 0.05 . 1 . . . . 88 PRO CA . 15643 1 398 . 1 1 105 105 PRO CB C 13 31.2 0.05 . 1 . . . . 88 PRO CB . 15643 1 399 . 1 1 106 106 VAL H H 1 8.66 0.01 . 1 . . . . 89 VAL HN . 15643 1 400 . 1 1 106 106 VAL C C 13 175.005 0.05 . 1 . . . . 89 VAL C . 15643 1 401 . 1 1 106 106 VAL CA C 13 64.678 0.05 . 1 . . . . 89 VAL CA . 15643 1 402 . 1 1 106 106 VAL CB C 13 31.105 0.05 . 1 . . . . 89 VAL CB . 15643 1 403 . 1 1 106 106 VAL N N 15 121.4 0.1 . 1 . . . . 89 VAL N . 15643 1 404 . 1 1 107 107 THR H H 1 6.949 0.01 . 1 . . . . 90 THR HN . 15643 1 405 . 1 1 107 107 THR C C 13 175.151 0.05 . 1 . . . . 90 THR C . 15643 1 406 . 1 1 107 107 THR CA C 13 60.246 0.05 . 1 . . . . 90 THR CA . 15643 1 407 . 1 1 107 107 THR CB C 13 69.11 0.05 . 1 . . . . 90 THR CB . 15643 1 408 . 1 1 107 107 THR N N 15 104.715 0.1 . 1 . . . . 90 THR N . 15643 1 409 . 1 1 108 108 THR H H 1 7.445 0.01 . 1 . . . . 91 THR HN . 15643 1 410 . 1 1 108 108 THR C C 13 169.712 0.05 . 1 . . . . 91 THR C . 15643 1 411 . 1 1 108 108 THR CA C 13 61.755 0.05 . 1 . . . . 91 THR CA . 15643 1 412 . 1 1 108 108 THR CB C 13 69.771 0.05 . 1 . . . . 91 THR CB . 15643 1 413 . 1 1 108 108 THR N N 15 123.598 0.1 . 1 . . . . 91 THR N . 15643 1 414 . 1 1 110 110 ILE H H 1 8.04 0.01 . 1 . . . . 93 ILE HN . 15643 1 415 . 1 1 110 110 ILE CA C 13 59.529 0.05 . 1 . . . . 93 ILE CA . 15643 1 416 . 1 1 110 110 ILE N N 15 121.054 0.1 . 1 . . . . 93 ILE N . 15643 1 417 . 1 1 111 111 LEU H H 1 8.647 0.01 . 1 . . . . 94 LEU HN . 15643 1 418 . 1 1 111 111 LEU CA C 13 52.238 0.05 . 1 . . . . 94 LEU CA . 15643 1 419 . 1 1 111 111 LEU N N 15 127.758 0.1 . 1 . . . . 94 LEU N . 15643 1 420 . 1 1 112 112 LEU H H 1 8.547 0.01 . 1 . . . . 95 LEU HN . 15643 1 421 . 1 1 112 112 LEU CA C 13 53.711 0.05 . 1 . . . . 95 LEU CA . 15643 1 422 . 1 1 112 112 LEU N N 15 127.844 0.1 . 1 . . . . 95 LEU N . 15643 1 423 . 1 1 113 113 ILE H H 1 8.524 0.01 . 1 . . . . 96 ILE HN . 15643 1 424 . 1 1 113 113 ILE CA C 13 62.549 0.05 . 1 . . . . 96 ILE CA . 15643 1 425 . 1 1 113 113 ILE N N 15 123.88 0.1 . 1 . . . . 96 ILE N . 15643 1 426 . 1 1 114 114 HIS H H 1 7.859 0.01 . 1 . . . . 97 HIS HN . 15643 1 427 . 1 1 114 114 HIS CA C 13 58.056 0.05 . 1 . . . . 97 HIS CA . 15643 1 428 . 1 1 114 114 HIS N N 15 127.93 0.1 . 1 . . . . 97 HIS N . 15643 1 429 . 1 1 115 115 ASN CA C 13 52.938 0.05 . 1 . . . . 98 ASN CA . 15643 1 430 . 1 1 116 116 GLY H H 1 8.939 0.01 . 1 . . . . 99 GLY HN . 15643 1 431 . 1 1 116 116 GLY C C 13 172.23 0.05 . 1 . . . . 99 GLY C . 15643 1 432 . 1 1 116 116 GLY CA C 13 45.063 0.05 . 1 . . . . 99 GLY CA . 15643 1 433 . 1 1 116 116 GLY N N 15 108.98 0.1 . 1 . . . . 99 GLY N . 15643 1 434 . 1 1 117 117 MET H H 1 9.006 0.01 . 1 . . . . 100 MET HN . 15643 1 435 . 1 1 117 117 MET C C 13 172.456 0.05 . 1 . . . . 100 MET C . 15643 1 436 . 1 1 117 117 MET CA C 13 54.965 0.05 . 1 . . . . 100 MET CA . 15643 1 437 . 1 1 117 117 MET CB C 13 37.518 0.05 . 1 . . . . 100 MET CB . 15643 1 438 . 1 1 117 117 MET N N 15 118.058 0.1 . 1 . . . . 100 MET N . 15643 1 439 . 1 1 118 118 GLY H H 1 8.068 0.01 . 1 . . . . 101 GLY HN . 15643 1 440 . 1 1 118 118 GLY C C 13 176.056 0.05 . 1 . . . . 101 GLY C . 15643 1 441 . 1 1 118 118 GLY CA C 13 44.968 0.05 . 1 . . . . 101 GLY CA . 15643 1 442 . 1 1 118 118 GLY N N 15 104.03 0.1 . 1 . . . . 101 GLY N . 15643 1 443 . 1 1 119 119 THR H H 1 7.78 0.01 . 1 . . . . 102 THR HN . 15643 1 444 . 1 1 119 119 THR C C 13 177.497 0.05 . 1 . . . . 102 THR C . 15643 1 445 . 1 1 119 119 THR CA C 13 62.886 0.05 . 1 . . . . 102 THR CA . 15643 1 446 . 1 1 119 119 THR CB C 13 68.45 0.05 . 1 . . . . 102 THR CB . 15643 1 447 . 1 1 119 119 THR N N 15 111.43 0.1 . 1 . . . . 102 THR N . 15643 1 448 . 1 1 120 120 ILE H H 1 7.537 0.01 . 1 . . . . 103 ILE HN . 15643 1 449 . 1 1 120 120 ILE C C 13 179.226 0.05 . 1 . . . . 103 ILE C . 15643 1 450 . 1 1 120 120 ILE CA C 13 63.358 0.05 . 1 . . . . 103 ILE CA . 15643 1 451 . 1 1 120 120 ILE CB C 13 34.689 0.05 . 1 . . . . 103 ILE CB . 15643 1 452 . 1 1 120 120 ILE N N 15 122.137 0.1 . 1 . . . . 103 ILE N . 15643 1 453 . 1 1 121 121 GLU H H 1 8.801 0.01 . 1 . . . . 104 GLU HN . 15643 1 454 . 1 1 121 121 GLU C C 13 178.804 0.05 . 1 . . . . 104 GLU C . 15643 1 455 . 1 1 121 121 GLU CA C 13 59.774 0.05 . 1 . . . . 104 GLU CA . 15643 1 456 . 1 1 121 121 GLU CB C 13 28.276 0.05 . 1 . . . . 104 GLU CB . 15643 1 457 . 1 1 121 121 GLU N N 15 120.59 0.1 . 1 . . . . 104 GLU N . 15643 1 458 . 1 1 122 122 GLU H H 1 7.036 0.01 . 1 . . . . 105 GLU HN . 15643 1 459 . 1 1 122 122 GLU C C 13 177.343 0.05 . 1 . . . . 105 GLU C . 15643 1 460 . 1 1 122 122 GLU CA C 13 56.945 0.05 . 1 . . . . 105 GLU CA . 15643 1 461 . 1 1 122 122 GLU CB C 13 29.125 0.05 . 1 . . . . 105 GLU CB . 15643 1 462 . 1 1 122 122 GLU N N 15 117.839 0.1 . 1 . . . . 105 GLU N . 15643 1 463 . 1 1 123 123 LEU H H 1 7.405 0.01 . 1 . . . . 106 LEU HN . 15643 1 464 . 1 1 123 123 LEU C C 13 177.229 0.05 . 1 . . . . 106 LEU C . 15643 1 465 . 1 1 123 123 LEU CA C 13 53.361 0.05 . 1 . . . . 106 LEU CA . 15643 1 466 . 1 1 123 123 LEU CB C 13 40.819 0.05 . 1 . . . . 106 LEU CB . 15643 1 467 . 1 1 123 123 LEU N N 15 120.418 0.1 . 1 . . . . 106 LEU N . 15643 1 468 . 1 1 124 124 GLN H H 1 7.359 0.01 . 1 . . . . 107 GLN HN . 15643 1 469 . 1 1 124 124 GLN C C 13 176.531 0.05 . 1 . . . . 107 GLN C . 15643 1 470 . 1 1 124 124 GLN CA C 13 58.548 0.05 . 1 . . . . 107 GLN CA . 15643 1 471 . 1 1 124 124 GLN CB C 13 28.465 0.05 . 1 . . . . 107 GLN CB . 15643 1 472 . 1 1 124 124 GLN N N 15 118.273 0.1 . 1 . . . . 107 GLN N . 15643 1 473 . 1 1 125 125 ASN C C 13 175.56 0.05 . 1 . . . . 108 ASN C . 15643 1 474 . 1 1 125 125 ASN CA C 13 53.079 0.05 . 1 . . . . 108 ASN CA . 15643 1 475 . 1 1 125 125 ASN CB C 13 37.99 0.05 . 1 . . . . 108 ASN CB . 15643 1 476 . 1 1 126 126 ILE H H 1 7.344 0.01 . 1 . . . . 109 ILE HN . 15643 1 477 . 1 1 126 126 ILE C C 13 177.148 0.05 . 1 . . . . 109 ILE C . 15643 1 478 . 1 1 126 126 ILE CA C 13 59.491 0.05 . 1 . . . . 109 ILE CA . 15643 1 479 . 1 1 126 126 ILE CB C 13 36.009 0.05 . 1 . . . . 109 ILE CB . 15643 1 480 . 1 1 126 126 ILE N N 15 121.793 0.1 . 1 . . . . 109 ILE N . 15643 1 481 . 1 1 127 127 GLN H H 1 9.133 0.01 . 1 . . . . 110 GLN HN . 15643 1 482 . 1 1 127 127 GLN C C 13 176.222 0.05 . 1 . . . . 110 GLN C . 15643 1 483 . 1 1 127 127 GLN CA C 13 56.94 0.05 . 1 . . . . 110 GLN CA . 15643 1 484 . 1 1 127 127 GLN CB C 13 29.785 0.05 . 1 . . . . 110 GLN CB . 15643 1 485 . 1 1 127 127 GLN N N 15 126.77 0.1 . 1 . . . . 110 GLN N . 15643 1 486 . 1 1 128 128 GLN H H 1 7.763 0.01 . 1 . . . . 111 GLN HN . 15643 1 487 . 1 1 128 128 GLN C C 13 172.732 0.05 . 1 . . . . 111 GLN C . 15643 1 488 . 1 1 128 128 GLN CA C 13 56.822 0.05 . 1 . . . . 111 GLN CA . 15643 1 489 . 1 1 128 128 GLN CB C 13 24.787 0.05 . 1 . . . . 111 GLN CB . 15643 1 490 . 1 1 128 128 GLN N N 15 122.65 0.1 . 1 . . . . 111 GLN N . 15643 1 491 . 1 1 129 129 PRO C C 13 175.48 0.05 . 1 . . . . 112 PRO C . 15643 1 492 . 1 1 129 129 PRO CA C 13 62.091 0.05 . 1 . . . . 112 PRO CA . 15643 1 493 . 1 1 129 129 PRO CB C 13 30.982 0.05 . 1 . . . . 112 PRO CB . 15643 1 494 . 1 1 130 130 LEU H H 1 7.984 0.01 . 1 . . . . 113 LEU HN . 15643 1 495 . 1 1 130 130 LEU C C 13 174.712 0.05 . 1 . . . . 113 LEU C . 15643 1 496 . 1 1 130 130 LEU CA C 13 53.102 0.05 . 1 . . . . 113 LEU CA . 15643 1 497 . 1 1 130 130 LEU CB C 13 44.906 0.05 . 1 . . . . 113 LEU CB . 15643 1 498 . 1 1 130 130 LEU N N 15 123.992 0.1 . 1 . . . . 113 LEU N . 15643 1 499 . 1 1 131 131 LEU H H 1 9.208 0.01 . 1 . . . . 114 LEU HN . 15643 1 500 . 1 1 131 131 LEU C C 13 174.584 0.05 . 1 . . . . 114 LEU C . 15643 1 501 . 1 1 131 131 LEU CA C 13 52.837 0.05 . 1 . . . . 114 LEU CA . 15643 1 502 . 1 1 131 131 LEU CB C 13 44.465 0.05 . 1 . . . . 114 LEU CB . 15643 1 503 . 1 1 131 131 LEU N N 15 125.864 0.1 . 1 . . . . 114 LEU N . 15643 1 504 . 1 1 132 132 MET H H 1 8.746 0.01 . 1 . . . . 115 MET HN . 15643 1 505 . 1 1 132 132 MET C C 13 174.501 0.05 . 1 . . . . 115 MET C . 15643 1 506 . 1 1 132 132 MET CA C 13 52.837 0.05 . 1 . . . . 115 MET CA . 15643 1 507 . 1 1 132 132 MET CB C 13 35.652 0.05 . 1 . . . . 115 MET CB . 15643 1 508 . 1 1 132 132 MET N N 15 119.386 0.1 . 1 . . . . 115 MET N . 15643 1 509 . 1 1 133 133 GLY H H 1 8.061 0.01 . 1 . . . . 116 GLY HN . 15643 1 510 . 1 1 133 133 GLY C C 13 171.514 0.05 . 1 . . . . 116 GLY C . 15643 1 511 . 1 1 133 133 GLY CA C 13 45.435 0.05 . 1 . . . . 116 GLY CA . 15643 1 512 . 1 1 133 133 GLY N N 15 107.183 0.1 . 1 . . . . 116 GLY N . 15643 1 513 . 1 1 134 134 THR H H 1 8.56 0.01 . 1 . . . . 117 THR HN . 15643 1 514 . 1 1 134 134 THR C C 13 171.676 0.05 . 1 . . . . 117 THR C . 15643 1 515 . 1 1 134 134 THR CA C 13 59.711 0.05 . 1 . . . . 117 THR CA . 15643 1 516 . 1 1 134 134 THR CB C 13 69.582 0.05 . 1 . . . . 117 THR CB . 15643 1 517 . 1 1 134 134 THR N N 15 112.339 0.1 . 1 . . . . 117 THR N . 15643 1 518 . 1 1 135 135 THR H H 1 8.767 0.01 . 1 . . . . 118 THR HN . 15643 1 519 . 1 1 135 135 THR CA C 13 59.447 0.05 . 1 . . . . 118 THR CA . 15643 1 520 . 1 1 135 135 THR CB C 13 71.609 0.05 . 1 . . . . 118 THR CB . 15643 1 521 . 1 1 135 135 THR N N 15 119.558 0.1 . 1 . . . . 118 THR N . 15643 1 522 . 1 1 136 136 THR H H 1 8.746 0.01 . 1 . . . . 119 THR HN . 15643 1 523 . 1 1 136 136 THR C C 13 177.229 0.05 . 1 . . . . 119 THR C . 15643 1 524 . 1 1 136 136 THR CA C 13 60.504 0.05 . 1 . . . . 119 THR CA . 15643 1 525 . 1 1 136 136 THR CB C 13 68.7 0.05 . 1 . . . . 119 THR CB . 15643 1 526 . 1 1 136 136 THR N N 15 115.275 0.1 . 1 . . . . 119 THR N . 15643 1 527 . 1 1 137 137 HIS H H 1 7.92 0.01 . 1 . . . . 120 HIS HN . 15643 1 528 . 1 1 137 137 HIS C C 13 175.151 0.05 . 1 . . . . 120 HIS C . 15643 1 529 . 1 1 137 137 HIS CA C 13 59.976 0.05 . 1 . . . . 120 HIS CA . 15643 1 530 . 1 1 137 137 HIS CB C 13 32.48 0.05 . 1 . . . . 120 HIS CB . 15643 1 531 . 1 1 137 137 HIS N N 15 123.512 0.1 . 1 . . . . 120 HIS N . 15643 1 532 . 1 1 138 138 ALA H H 1 8.438 0.01 . 1 . . . . 121 ALA HN . 15643 1 533 . 1 1 138 138 ALA C C 13 175.93 0.05 . 1 . . . . 121 ALA C . 15643 1 534 . 1 1 138 138 ALA CA C 13 50.546 0.05 . 1 . . . . 121 ALA CA . 15643 1 535 . 1 1 138 138 ALA CB C 13 21.654 0.05 . 1 . . . . 121 ALA CB . 15643 1 536 . 1 1 138 138 ALA N N 15 123.666 0.1 . 1 . . . . 121 ALA N . 15643 1 537 . 1 1 139 139 ALA H H 1 8.717 0.01 . 1 . . . . 122 ALA HN . 15643 1 538 . 1 1 139 139 ALA C C 13 174.479 0.05 . 1 . . . . 122 ALA C . 15643 1 539 . 1 1 139 139 ALA CA C 13 50.55 0.05 . 1 . . . . 122 ALA CA . 15643 1 540 . 1 1 139 139 ALA CB C 13 21.434 0.05 . 1 . . . . 122 ALA CB . 15643 1 541 . 1 1 139 139 ALA N N 15 126.984 0.1 . 1 . . . . 122 ALA N . 15643 1 542 . 1 1 140 140 ARG H H 1 8.797 0.01 . 1 . . . . 123 ARG HN . 15643 1 543 . 1 1 140 140 ARG C C 13 172.994 0.05 . 1 . . . . 123 ARG C . 15643 1 544 . 1 1 140 140 ARG CA C 13 54.105 0.05 . 1 . . . . 123 ARG CA . 15643 1 545 . 1 1 140 140 ARG CB C 13 33.253 0.05 . 1 . . . . 123 ARG CB . 15643 1 546 . 1 1 140 140 ARG N N 15 119.988 0.1 . 1 . . . . 123 ARG N . 15643 1 547 . 1 1 141 141 ARG H H 1 8.719 0.01 . 1 . . . . 124 ARG HN . 15643 1 548 . 1 1 141 141 ARG C C 13 175.183 0.05 . 1 . . . . 124 ARG C . 15643 1 549 . 1 1 141 141 ARG CA C 13 55.547 0.05 . 1 . . . . 124 ARG CA . 15643 1 550 . 1 1 141 141 ARG CB C 13 30.851 0.05 . 1 . . . . 124 ARG CB . 15643 1 551 . 1 1 141 141 ARG N N 15 124.845 0.1 . 1 . . . . 124 ARG N . 15643 1 552 . 1 1 142 142 ASP H H 1 9.104 0.01 . 1 . . . . 125 ASP HN . 15643 1 553 . 1 1 142 142 ASP C C 13 175.88 0.05 . 1 . . . . 125 ASP C . 15643 1 554 . 1 1 142 142 ASP CA C 13 52.952 0.05 . 1 . . . . 125 ASP CA . 15643 1 555 . 1 1 142 142 ASP CB C 13 41.517 0.05 . 1 . . . . 125 ASP CB . 15643 1 556 . 1 1 142 142 ASP N N 15 130.266 0.1 . 1 . . . . 125 ASP N . 15643 1 557 . 1 1 143 143 GLY H H 1 8.74 0.01 . 1 . . . . 126 GLY HN . 15643 1 558 . 1 1 143 143 GLY CA C 13 46.994 0.05 . 1 . . . . 126 GLY CA . 15643 1 559 . 1 1 143 143 GLY N N 15 115.003 0.1 . 1 . . . . 126 GLY N . 15643 1 560 . 1 1 144 144 ASN C C 13 174.22 0.05 . 1 . . . . 127 ASN C . 15643 1 561 . 1 1 144 144 ASN CA C 13 53.276 0.05 . 1 . . . . 127 ASN CA . 15643 1 562 . 1 1 144 144 ASN CB C 13 38.675 0.05 . 1 . . . . 127 ASN CB . 15643 1 563 . 1 1 145 145 VAL H H 1 7.653 0.01 . 1 . . . . 128 VAL HN . 15643 1 564 . 1 1 145 145 VAL C C 13 173.664 0.05 . 1 . . . . 128 VAL C . 15643 1 565 . 1 1 145 145 VAL CA C 13 60.445 0.05 . 1 . . . . 128 VAL CA . 15643 1 566 . 1 1 145 145 VAL CB C 13 34.217 0.05 . 1 . . . . 128 VAL CB . 15643 1 567 . 1 1 145 145 VAL N N 15 118.785 0.1 . 1 . . . . 128 VAL N . 15643 1 568 . 1 1 146 146 ILE H H 1 8.753 0.01 . 1 . . . . 129 ILE HN . 15643 1 569 . 1 1 146 146 ILE C C 13 174.239 0.05 . 1 . . . . 129 ILE C . 15643 1 570 . 1 1 146 146 ILE CA C 13 57.035 0.05 . 1 . . . . 129 ILE CA . 15643 1 571 . 1 1 146 146 ILE CB C 13 35.615 0.05 . 1 . . . . 129 ILE CB . 15643 1 572 . 1 1 146 146 ILE N N 15 123.885 0.1 . 1 . . . . 129 ILE N . 15643 1 573 . 1 1 147 147 ILE H H 1 9.168 0.01 . 1 . . . . 130 ILE HN . 15643 1 574 . 1 1 147 147 ILE C C 13 176.353 0.05 . 1 . . . . 130 ILE C . 15643 1 575 . 1 1 147 147 ILE CA C 13 58.958 0.05 . 1 . . . . 130 ILE CA . 15643 1 576 . 1 1 147 147 ILE CB C 13 39.462 0.05 . 1 . . . . 130 ILE CB . 15643 1 577 . 1 1 147 147 ILE N N 15 126.176 0.1 . 1 . . . . 130 ILE N . 15643 1 578 . 1 1 148 148 HIS H H 1 8.999 0.01 . 1 . . . . 131 HIS HN . 15643 1 579 . 1 1 148 148 HIS C C 13 172.236 0.05 . 1 . . . . 131 HIS C . 15643 1 580 . 1 1 148 148 HIS CA C 13 52.751 0.05 . 1 . . . . 131 HIS CA . 15643 1 581 . 1 1 148 148 HIS CB C 13 29.058 0.05 . 1 . . . . 131 HIS CB . 15643 1 582 . 1 1 148 148 HIS N N 15 127.465 0.1 . 1 . . . . 131 HIS N . 15643 1 583 . 1 1 149 149 VAL H H 1 8.235 0.01 . 1 . . . . 132 VAL HN . 15643 1 584 . 1 1 149 149 VAL C C 13 175.63 0.05 . 1 . . . . 132 VAL C . 15643 1 585 . 1 1 149 149 VAL CA C 13 64.117 0.05 . 1 . . . . 132 VAL CA . 15643 1 586 . 1 1 149 149 VAL CB C 13 32.556 0.05 . 1 . . . . 132 VAL CB . 15643 1 587 . 1 1 149 149 VAL N N 15 129.074 0.1 . 1 . . . . 132 VAL N . 15643 1 588 . 1 1 150 150 ALA H H 1 7.504 0.01 . 1 . . . . 133 ALA HN . 15643 1 589 . 1 1 150 150 ALA C C 13 175.982 0.05 . 1 . . . . 133 ALA C . 15643 1 590 . 1 1 150 150 ALA CA C 13 51.615 0.05 . 1 . . . . 133 ALA CA . 15643 1 591 . 1 1 150 150 ALA CB C 13 21.715 0.05 . 1 . . . . 133 ALA CB . 15643 1 592 . 1 1 150 150 ALA N N 15 118.669 0.1 . 1 . . . . 133 ALA N . 15643 1 593 . 1 1 151 151 ASN H H 1 8.215 0.01 . 1 . . . . 134 ASN HN . 15643 1 594 . 1 1 151 151 ASN C C 13 173.794 0.05 . 1 . . . . 134 ASN C . 15643 1 595 . 1 1 151 151 ASN CA C 13 52.401 0.05 . 1 . . . . 134 ASN CA . 15643 1 596 . 1 1 151 151 ASN CB C 13 38.675 0.05 . 1 . . . . 134 ASN CB . 15643 1 597 . 1 1 151 151 ASN N N 15 119.902 0.1 . 1 . . . . 134 ASN N . 15643 1 598 . 1 1 152 152 GLY C C 13 170.344 0.05 . 1 . . . . 135 GLY C . 15643 1 599 . 1 1 152 152 GLY CA C 13 45.157 0.05 . 1 . . . . 135 GLY CA . 15643 1 600 . 1 1 153 153 ILE H H 1 8.346 0.01 . 1 . . . . 136 ILE HN . 15643 1 601 . 1 1 153 153 ILE C C 13 174.869 0.05 . 1 . . . . 136 ILE C . 15643 1 602 . 1 1 153 153 ILE CA C 13 58.221 0.05 . 1 . . . . 136 ILE CA . 15643 1 603 . 1 1 153 153 ILE CB C 13 41.229 0.05 . 1 . . . . 136 ILE CB . 15643 1 604 . 1 1 153 153 ILE N N 15 121.793 0.1 . 1 . . . . 136 ILE N . 15643 1 605 . 1 1 154 154 THR H H 1 8.891 0.01 . 1 . . . . 137 THR HN . 15643 1 606 . 1 1 154 154 THR C C 13 172.588 0.05 . 1 . . . . 137 THR C . 15643 1 607 . 1 1 154 154 THR CA C 13 61.295 0.05 . 1 . . . . 137 THR CA . 15643 1 608 . 1 1 154 154 THR CB C 13 69.663 0.05 . 1 . . . . 137 THR CB . 15643 1 609 . 1 1 154 154 THR N N 15 125.896 0.1 . 1 . . . . 137 THR N . 15643 1 610 . 1 1 155 155 HIS H H 1 8.68 0.01 . 1 . . . . 138 HIS HN . 15643 1 611 . 1 1 155 155 HIS C C 13 175.018 0.05 . 1 . . . . 138 HIS C . 15643 1 612 . 1 1 155 155 HIS CA C 13 54.977 0.05 . 1 . . . . 138 HIS CA . 15643 1 613 . 1 1 155 155 HIS CB C 13 32.263 0.05 . 1 . . . . 138 HIS CB . 15643 1 614 . 1 1 155 155 HIS N N 15 129.1 0.1 . 1 . . . . 138 HIS N . 15643 1 615 . 1 1 156 156 ILE H H 1 8.921 0.01 . 1 . . . . 139 ILE HN . 15643 1 616 . 1 1 156 156 ILE C C 13 173.404 0.05 . 1 . . . . 139 ILE C . 15643 1 617 . 1 1 156 156 ILE CA C 13 58.477 0.05 . 1 . . . . 139 ILE CA . 15643 1 618 . 1 1 156 156 ILE CB C 13 42.339 0.05 . 1 . . . . 139 ILE CB . 15643 1 619 . 1 1 156 156 ILE N N 15 116.399 0.1 . 1 . . . . 139 ILE N . 15643 1 620 . 1 1 157 157 GLY H H 1 8.11 0.01 . 1 . . . . 140 GLY HN . 15643 1 621 . 1 1 157 157 GLY C C 13 169.862 0.05 . 1 . . . . 140 GLY C . 15643 1 622 . 1 1 157 157 GLY CA C 13 44.877 0.05 . 1 . . . . 140 GLY CA . 15643 1 623 . 1 1 157 157 GLY N N 15 106.85 0.1 . 1 . . . . 140 GLY N . 15643 1 624 . 1 1 162 162 GLN C C 13 175.288 0.05 . 1 . . . . 145 GLN C . 15643 1 625 . 1 1 162 162 GLN CA C 13 55.7 0.05 . 1 . . . . 145 GLN CA . 15643 1 626 . 1 1 162 162 GLN CB C 13 27.725 0.05 . 1 . . . . 145 GLN CB . 15643 1 627 . 1 1 163 163 ASP H H 1 8.105 0.01 . 1 . . . . 146 ASP HN . 15643 1 628 . 1 1 163 163 ASP C C 13 176.453 0.05 . 1 . . . . 146 ASP C . 15643 1 629 . 1 1 163 163 ASP CA C 13 55.607 0.05 . 1 . . . . 146 ASP CA . 15643 1 630 . 1 1 163 163 ASP CB C 13 42.062 0.05 . 1 . . . . 146 ASP CB . 15643 1 631 . 1 1 163 163 ASP N N 15 121.793 0.1 . 1 . . . . 146 ASP N . 15643 1 632 . 1 1 164 164 GLY H H 1 8.104 0.01 . 1 . . . . 147 GLY HN . 15643 1 633 . 1 1 164 164 GLY C C 13 172.535 0.05 . 1 . . . . 147 GLY C . 15643 1 634 . 1 1 164 164 GLY CA C 13 44.976 0.05 . 1 . . . . 147 GLY CA . 15643 1 635 . 1 1 164 164 GLY N N 15 108.38 0.1 . 1 . . . . 147 GLY N . 15643 1 636 . 1 1 165 165 ASP H H 1 7.935 0.01 . 1 . . . . 148 ASP HN . 15643 1 637 . 1 1 165 165 ASP C C 13 176.024 0.05 . 1 . . . . 148 ASP C . 15643 1 638 . 1 1 165 165 ASP CA C 13 53.337 0.05 . 1 . . . . 148 ASP CA . 15643 1 639 . 1 1 165 165 ASP CB C 13 40.748 0.05 . 1 . . . . 148 ASP CB . 15643 1 640 . 1 1 165 165 ASP N N 15 119.043 0.1 . 1 . . . . 148 ASP N . 15643 1 641 . 1 1 168 168 TYR H H 1 7.381 0.01 . 1 . . . . 151 TYR HN . 15643 1 642 . 1 1 168 168 TYR C C 13 177.145 0.05 . 1 . . . . 151 TYR C . 15643 1 643 . 1 1 168 168 TYR CA C 13 58.767 0.05 . 1 . . . . 151 TYR CA . 15643 1 644 . 1 1 168 168 TYR CB C 13 35.742 0.05 . 1 . . . . 151 TYR CB . 15643 1 645 . 1 1 168 168 TYR N N 15 121.656 0.1 . 1 . . . . 151 TYR N . 15643 1 646 . 1 1 169 169 LEU H H 1 7.096 0.01 . 1 . . . . 152 LEU HN . 15643 1 647 . 1 1 169 169 LEU C C 13 179.322 0.05 . 1 . . . . 152 LEU C . 15643 1 648 . 1 1 169 169 LEU CA C 13 56.349 0.05 . 1 . . . . 152 LEU CA . 15643 1 649 . 1 1 169 169 LEU CB C 13 41.209 0.05 . 1 . . . . 152 LEU CB . 15643 1 650 . 1 1 169 169 LEU N N 15 122.566 0.1 . 1 . . . . 152 LEU N . 15643 1 651 . 1 1 170 170 ALA H H 1 7.388 0.01 . 1 . . . . 153 ALA HN . 15643 1 652 . 1 1 170 170 ALA C C 13 178.074 0.05 . 1 . . . . 153 ALA C . 15643 1 653 . 1 1 170 170 ALA CA C 13 55.192 0.05 . 1 . . . . 153 ALA CA . 15643 1 654 . 1 1 170 170 ALA CB C 13 18.185 0.05 . 1 . . . . 153 ALA CB . 15643 1 655 . 1 1 170 170 ALA N N 15 120.332 0.1 . 1 . . . . 153 ALA N . 15643 1 656 . 1 1 171 171 ASP H H 1 7.049 0.01 . 1 . . . . 154 ASP HN . 15643 1 657 . 1 1 171 171 ASP C C 13 178.837 0.05 . 1 . . . . 154 ASP C . 15643 1 658 . 1 1 171 171 ASP CA C 13 57.084 0.05 . 1 . . . . 154 ASP CA . 15643 1 659 . 1 1 171 171 ASP CB C 13 39.947 0.05 . 1 . . . . 154 ASP CB . 15643 1 660 . 1 1 171 171 ASP N N 15 116.799 0.1 . 1 . . . . 154 ASP N . 15643 1 661 . 1 1 172 172 ILE H H 1 7.277 0.01 . 1 . . . . 155 ILE HN . 15643 1 662 . 1 1 172 172 ILE C C 13 179.275 0.05 . 1 . . . . 155 ILE C . 15643 1 663 . 1 1 172 172 ILE CA C 13 64.129 0.05 . 1 . . . . 155 ILE CA . 15643 1 664 . 1 1 172 172 ILE CB C 13 38.16 0.05 . 1 . . . . 155 ILE CB . 15643 1 665 . 1 1 172 172 ILE N N 15 118.785 0.1 . 1 . . . . 155 ILE N . 15643 1 666 . 1 1 173 173 LEU H H 1 8.476 0.01 . 1 . . . . 156 LEU HN . 15643 1 667 . 1 1 173 173 LEU C C 13 178.009 0.05 . 1 . . . . 156 LEU C . 15643 1 668 . 1 1 173 173 LEU CA C 13 57.505 0.05 . 1 . . . . 156 LEU CA . 15643 1 669 . 1 1 173 173 LEU CB C 13 40.053 0.05 . 1 . . . . 156 LEU CB . 15643 1 670 . 1 1 173 173 LEU N N 15 119.301 0.1 . 1 . . . . 156 LEU N . 15643 1 671 . 1 1 174 174 GLN H H 1 8.228 0.01 . 1 . . . . 157 GLN HN . 15643 1 672 . 1 1 174 174 GLN C C 13 175.963 0.05 . 1 . . . . 157 GLN C . 15643 1 673 . 1 1 174 174 GLN CA C 13 58.241 0.05 . 1 . . . . 157 GLN CA . 15643 1 674 . 1 1 174 174 GLN CB C 13 26.806 0.05 . 1 . . . . 157 GLN CB . 15643 1 675 . 1 1 174 174 GLN N N 15 122.566 0.1 . 1 . . . . 157 GLN N . 15643 1 676 . 1 1 175 175 THR H H 1 6.968 0.01 . 1 . . . . 158 THR HN . 15643 1 677 . 1 1 175 175 THR C C 13 174.193 0.05 . 1 . . . . 158 THR C . 15643 1 678 . 1 1 175 175 THR CA C 13 63.182 0.05 . 1 . . . . 158 THR CA . 15643 1 679 . 1 1 175 175 THR CB C 13 69.28 0.05 . 1 . . . . 158 THR CB . 15643 1 680 . 1 1 175 175 THR N N 15 106.753 0.1 . 1 . . . . 158 THR N . 15643 1 681 . 1 1 176 176 VAL H H 1 7.136 0.01 . 1 . . . . 159 VAL HN . 15643 1 682 . 1 1 176 176 VAL C C 13 174.469 0.05 . 1 . . . . 159 VAL C . 15643 1 683 . 1 1 176 176 VAL CA C 13 63.708 0.05 . 1 . . . . 159 VAL CA . 15643 1 684 . 1 1 176 176 VAL CB C 13 32.483 0.05 . 1 . . . . 159 VAL CB . 15643 1 685 . 1 1 176 176 VAL N N 15 120.59 0.1 . 1 . . . . 159 VAL N . 15643 1 686 . 1 1 177 177 LEU H H 1 7.665 0.01 . 1 . . . . 160 LEU HN . 15643 1 687 . 1 1 177 177 LEU C C 13 169.89 0.05 . 1 . . . . 160 LEU C . 15643 1 688 . 1 1 177 177 LEU CA C 13 50.882 0.05 . 1 . . . . 160 LEU CA . 15643 1 689 . 1 1 177 177 LEU CB C 13 40.999 0.05 . 1 . . . . 160 LEU CB . 15643 1 690 . 1 1 177 177 LEU N N 15 118.785 0.1 . 1 . . . . 160 LEU N . 15643 1 691 . 1 1 178 178 PRO CA C 13 60.239 0.05 . 1 . . . . 161 PRO CA . 15643 1 692 . 1 1 178 178 PRO CB C 13 31.221 0.05 . 1 . . . . 161 PRO CB . 15643 1 693 . 1 1 179 179 ASP H H 1 7.385 0.01 . 1 . . . . 162 ASP HN . 15643 1 694 . 1 1 179 179 ASP C C 13 176.633 0.05 . 1 . . . . 162 ASP C . 15643 1 695 . 1 1 179 179 ASP CA C 13 56.033 0.05 . 1 . . . . 162 ASP CA . 15643 1 696 . 1 1 179 179 ASP CB C 13 44.468 0.05 . 1 . . . . 162 ASP CB . 15643 1 697 . 1 1 179 179 ASP N N 15 121.707 0.1 . 1 . . . . 162 ASP N . 15643 1 698 . 1 1 180 180 VAL H H 1 9.791 0.01 . 1 . . . . 163 VAL HN . 15643 1 699 . 1 1 180 180 VAL C C 13 173.349 0.05 . 1 . . . . 163 VAL C . 15643 1 700 . 1 1 180 180 VAL CA C 13 60.974 0.05 . 1 . . . . 163 VAL CA . 15643 1 701 . 1 1 180 180 VAL CB C 13 33.639 0.05 . 1 . . . . 163 VAL CB . 15643 1 702 . 1 1 180 180 VAL N N 15 127.723 0.1 . 1 . . . . 163 VAL N . 15643 1 703 . 1 1 181 181 ALA H H 1 8.717 0.01 . 1 . . . . 164 ALA HN . 15643 1 704 . 1 1 181 181 ALA C C 13 175.053 0.05 . 1 . . . . 164 ALA C . 15643 1 705 . 1 1 181 181 ALA CA C 13 50.356 0.05 . 1 . . . . 164 ALA CA . 15643 1 706 . 1 1 181 181 ALA CB C 13 21.759 0.05 . 1 . . . . 164 ALA CB . 15643 1 707 . 1 1 181 181 ALA N N 15 130.718 0.1 . 1 . . . . 164 ALA N . 15643 1 708 . 1 1 182 182 TRP H H 1 8.695 0.01 . 1 . . . . 165 TRP HN . 15643 1 709 . 1 1 182 182 TRP C C 13 175.541 0.05 . 1 . . . . 165 TRP C . 15643 1 710 . 1 1 182 182 TRP CA C 13 56.033 0.05 . 1 . . . . 165 TRP CA . 15643 1 711 . 1 1 182 182 TRP CB C 13 30.275 0.05 . 1 . . . . 165 TRP CB . 15643 1 712 . 1 1 182 182 TRP N N 15 123.598 0.1 . 1 . . . . 165 TRP N . 15643 1 713 . 1 1 183 183 HIS H H 1 8.469 0.01 . 1 . . . . 166 HIS HN . 15643 1 714 . 1 1 183 183 HIS C C 13 173.882 0.05 . 1 . . . . 166 HIS C . 15643 1 715 . 1 1 183 183 HIS CA C 13 54.009 0.05 . 1 . . . . 166 HIS CA . 15643 1 716 . 1 1 183 183 HIS CB C 13 32.965 0.05 . 1 . . . . 166 HIS CB . 15643 1 717 . 1 1 183 183 HIS N N 15 129.194 0.1 . 1 . . . . 166 HIS N . 15643 1 718 . 1 1 186 186 ILE C C 13 175.4 0.05 . 1 . . . . 169 ILE C . 15643 1 719 . 1 1 186 186 ILE CA C 13 59.397 0.05 . 1 . . . . 169 ILE CA . 15643 1 720 . 1 1 186 186 ILE CB C 13 38.37 0.05 . 1 . . . . 169 ILE CB . 15643 1 721 . 1 1 187 187 ARG H H 1 8.486 0.01 . 1 . . . . 170 ARG HN . 15643 1 722 . 1 1 187 187 ARG C C 13 176.79 0.05 . 1 . . . . 170 ARG C . 15643 1 723 . 1 1 187 187 ARG CA C 13 60.239 0.05 . 1 . . . . 170 ARG CA . 15643 1 724 . 1 1 187 187 ARG CB C 13 28.698 0.05 . 1 . . . . 170 ARG CB . 15643 1 725 . 1 1 187 187 ARG N N 15 122.394 0.1 . 1 . . . . 170 ARG N . 15643 1 726 . 1 1 188 188 ALA H H 1 7.488 0.01 . 1 . . . . 171 ALA HN . 15643 1 727 . 1 1 188 188 ALA C C 13 179.843 0.05 . 1 . . . . 171 ALA C . 15643 1 728 . 1 1 188 188 ALA CA C 13 55.297 0.05 . 1 . . . . 171 ALA CA . 15643 1 729 . 1 1 188 188 ALA CB C 13 17.554 0.05 . 1 . . . . 171 ALA CB . 15643 1 730 . 1 1 188 188 ALA N N 15 120.16 0.1 . 1 . . . . 171 ALA N . 15643 1 731 . 1 1 189 189 GLU H H 1 6.788 0.01 . 1 . . . . 172 GLU HN . 15643 1 732 . 1 1 189 189 GLU C C 13 178.966 0.05 . 1 . . . . 172 GLU C . 15643 1 733 . 1 1 189 189 GLU CA C 13 57.295 0.05 . 1 . . . . 172 GLU CA . 15643 1 734 . 1 1 189 189 GLU CB C 13 28.172 0.05 . 1 . . . . 172 GLU CB . 15643 1 735 . 1 1 189 189 GLU N N 15 117.839 0.1 . 1 . . . . 172 GLU N . 15643 1 736 . 1 1 190 190 LEU H H 1 8.024 0.01 . 1 . . . . 173 LEU HN . 15643 1 737 . 1 1 190 190 LEU C C 13 180.723 0.05 . 1 . . . . 173 LEU C . 15643 1 738 . 1 1 190 190 LEU CA C 13 57.4 0.05 . 1 . . . . 173 LEU CA . 15643 1 739 . 1 1 190 190 LEU CB C 13 39.422 0.05 . 1 . . . . 173 LEU CB . 15643 1 740 . 1 1 190 190 LEU N N 15 118.699 0.1 . 1 . . . . 173 LEU N . 15643 1 741 . 1 1 191 191 TRP H H 1 8.417 0.01 . 1 . . . . 174 TRP HN . 15643 1 742 . 1 1 191 191 TRP C C 13 178.33 0.05 . 1 . . . . 174 TRP C . 15643 1 743 . 1 1 191 191 TRP CA C 13 61.185 0.05 . 1 . . . . 174 TRP CA . 15643 1 744 . 1 1 191 191 TRP CB C 13 28.908 0.05 . 1 . . . . 174 TRP CB . 15643 1 745 . 1 1 191 191 TRP N N 15 121.191 0.1 . 1 . . . . 174 TRP N . 15643 1 746 . 1 1 192 192 ARG H H 1 7.204 0.01 . 1 . . . . 175 ARG HN . 15643 1 747 . 1 1 192 192 ARG C C 13 178.186 0.05 . 1 . . . . 175 ARG C . 15643 1 748 . 1 1 192 192 ARG CA C 13 60.028 0.05 . 1 . . . . 175 ARG CA . 15643 1 749 . 1 1 192 192 ARG CB C 13 29.329 0.05 . 1 . . . . 175 ARG CB . 15643 1 750 . 1 1 192 192 ARG N N 15 119.73 0.1 . 1 . . . . 175 ARG N . 15643 1 751 . 1 1 193 193 LYS H H 1 7.602 0.01 . 1 . . . . 176 LYS HN . 15643 1 752 . 1 1 193 193 LYS C C 13 179.324 0.05 . 1 . . . . 176 LYS C . 15643 1 753 . 1 1 193 193 LYS CA C 13 57.715 0.05 . 1 . . . . 176 LYS CA . 15643 1 754 . 1 1 193 193 LYS CB C 13 31.011 0.05 . 1 . . . . 176 LYS CB . 15643 1 755 . 1 1 193 193 LYS N N 15 116.894 0.1 . 1 . . . . 176 LYS N . 15643 1 756 . 1 1 194 194 LEU H H 1 8.534 0.01 . 1 . . . . 177 LEU HN . 15643 1 757 . 1 1 194 194 LEU C C 13 179.466 0.05 . 1 . . . . 177 LEU C . 15643 1 758 . 1 1 194 194 LEU CA C 13 58.346 0.05 . 1 . . . . 177 LEU CA . 15643 1 759 . 1 1 194 194 LEU CB C 13 40.578 0.05 . 1 . . . . 177 LEU CB . 15643 1 760 . 1 1 194 194 LEU N N 15 123.512 0.1 . 1 . . . . 177 LEU N . 15643 1 761 . 1 1 195 195 ALA H H 1 8.535 0.01 . 1 . . . . 178 ALA HN . 15643 1 762 . 1 1 195 195 ALA C C 13 178.755 0.05 . 1 . . . . 178 ALA C . 15643 1 763 . 1 1 195 195 ALA CA C 13 56.033 0.05 . 1 . . . . 178 ALA CA . 15643 1 764 . 1 1 195 195 ALA CB C 13 19.551 0.05 . 1 . . . . 178 ALA CB . 15643 1 765 . 1 1 195 195 ALA N N 15 122.394 0.1 . 1 . . . . 178 ALA N . 15643 1 766 . 1 1 196 196 VAL H H 1 7.229 0.01 . 1 . . . . 179 VAL HN . 15643 1 767 . 1 1 196 196 VAL C C 13 178.788 0.05 . 1 . . . . 179 VAL C . 15643 1 768 . 1 1 196 196 VAL CA C 13 65.6 0.05 . 1 . . . . 179 VAL CA . 15643 1 769 . 1 1 196 196 VAL CB C 13 31.432 0.05 . 1 . . . . 179 VAL CB . 15643 1 770 . 1 1 196 196 VAL N N 15 114.316 0.1 . 1 . . . . 179 VAL N . 15643 1 771 . 1 1 197 197 ASN H H 1 8.116 0.01 . 1 . . . . 180 ASN HN . 15643 1 772 . 1 1 197 197 ASN C C 13 177.593 0.05 . 1 . . . . 180 ASN C . 15643 1 773 . 1 1 197 197 ASN CA C 13 57.084 0.05 . 1 . . . . 180 ASN CA . 15643 1 774 . 1 1 197 197 ASN CB C 13 39.212 0.05 . 1 . . . . 180 ASN CB . 15643 1 775 . 1 1 197 197 ASN N N 15 119.386 0.1 . 1 . . . . 180 ASN N . 15643 1 776 . 1 1 198 198 CYS H H 1 8.857 0.01 . 1 . . . . 181 CYS HN . 15643 1 777 . 1 1 198 198 CYS C C 13 174.164 0.05 . 1 . . . . 181 CYS C . 15643 1 778 . 1 1 198 198 CYS CA C 13 62.972 0.05 . 1 . . . . 181 CYS CA . 15643 1 779 . 1 1 198 198 CYS CB C 13 27.752 0.05 . 1 . . . . 181 CYS CB . 15643 1 780 . 1 1 198 198 CYS N N 15 119.301 0.1 . 1 . . . . 181 CYS N . 15643 1 781 . 1 1 199 199 VAL H H 1 7.027 0.01 . 1 . . . . 182 VAL HN . 15643 1 782 . 1 1 199 199 VAL C C 13 176.193 0.05 . 1 . . . . 182 VAL C . 15643 1 783 . 1 1 199 199 VAL CA C 13 63.708 0.05 . 1 . . . . 182 VAL CA . 15643 1 784 . 1 1 199 199 VAL CB C 13 32.483 0.05 . 1 . . . . 182 VAL CB . 15643 1 785 . 1 1 199 199 VAL N N 15 114.402 0.1 . 1 . . . . 182 VAL N . 15643 1 786 . 1 1 200 200 ILE H H 1 8.028 0.01 . 1 . . . . 183 ILE HN . 15643 1 787 . 1 1 200 200 ILE C C 13 179.034 0.05 . 1 . . . . 183 ILE C . 15643 1 788 . 1 1 200 200 ILE CA C 13 65.39 0.05 . 1 . . . . 183 ILE CA . 15643 1 789 . 1 1 200 200 ILE CB C 13 38.581 0.05 . 1 . . . . 183 ILE CB . 15643 1 790 . 1 1 200 200 ILE N N 15 112.769 0.1 . 1 . . . . 183 ILE N . 15643 1 791 . 1 1 201 201 ASN H H 1 7.88 0.01 . 1 . . . . 184 ASN HN . 15643 1 792 . 1 1 201 201 ASN C C 13 172.52 0.05 . 1 . . . . 184 ASN C . 15643 1 793 . 1 1 201 201 ASN CA C 13 58.661 0.05 . 1 . . . . 184 ASN CA . 15643 1 794 . 1 1 201 201 ASN CB C 13 34.796 0.05 . 1 . . . . 184 ASN CB . 15643 1 795 . 1 1 201 201 ASN N N 15 115.777 0.1 . 1 . . . . 184 ASN N . 15643 1 796 . 1 1 202 202 PRO CA C 13 65.6 0.05 . 1 . . . . 185 PRO CA . 15643 1 797 . 1 1 202 202 PRO CB C 13 30.485 0.05 . 1 . . . . 185 PRO CB . 15643 1 798 . 1 1 203 203 LEU H H 1 6.426 0.01 . 1 . . . . 186 LEU HN . 15643 1 799 . 1 1 203 203 LEU CA C 13 57.505 0.05 . 1 . . . . 186 LEU CA . 15643 1 800 . 1 1 203 203 LEU CB C 13 40.368 0.05 . 1 . . . . 186 LEU CB . 15643 1 801 . 1 1 203 203 LEU N N 15 113.972 0.1 . 1 . . . . 186 LEU N . 15643 1 802 . 1 1 204 204 THR H H 1 7.364 0.01 . 1 . . . . 187 THR HN . 15643 1 803 . 1 1 204 204 THR CA C 13 64.549 0.05 . 1 . . . . 187 THR CA . 15643 1 804 . 1 1 204 204 THR CB C 13 69.07 0.05 . 1 . . . . 187 THR CB . 15643 1 805 . 1 1 204 204 THR N N 15 107.448 0.1 . 1 . . . . 187 THR N . 15643 1 806 . 1 1 205 205 ALA H H 1 7.6 0.01 . 1 . . . . 188 ALA HN . 15643 1 807 . 1 1 205 205 ALA CA C 13 54.877 0.05 . 1 . . . . 188 ALA CA . 15643 1 808 . 1 1 205 205 ALA CB C 13 18.5 0.05 . 1 . . . . 188 ALA CB . 15643 1 809 . 1 1 205 205 ALA N N 15 122.652 0.1 . 1 . . . . 188 ALA N . 15643 1 810 . 1 1 206 206 ILE H H 1 7.878 0.01 . 1 . . . . 189 ILE HN . 15643 1 811 . 1 1 206 206 ILE CA C 13 63.603 0.05 . 1 . . . . 189 ILE CA . 15643 1 812 . 1 1 206 206 ILE CB C 13 37.845 0.05 . 1 . . . . 189 ILE CB . 15643 1 813 . 1 1 206 206 ILE N N 15 113.542 0.1 . 1 . . . . 189 ILE N . 15643 1 814 . 1 1 207 207 TRP H H 1 7.991 0.01 . 1 . . . . 190 TRP HN . 15643 1 815 . 1 1 207 207 TRP C C 13 176.409 0.05 . 1 . . . . 190 TRP C . 15643 1 816 . 1 1 207 207 TRP CA C 13 55.928 0.05 . 1 . . . . 190 TRP CA . 15643 1 817 . 1 1 207 207 TRP CB C 13 28.978 0.05 . 1 . . . . 190 TRP CB . 15643 1 818 . 1 1 207 207 TRP N N 15 120.625 0.1 . 1 . . . . 190 TRP N . 15643 1 819 . 1 1 208 208 ASN H H 1 8.322 0.01 . 1 . . . . 191 ASN HN . 15643 1 820 . 1 1 208 208 ASN C C 13 173.603 0.05 . 1 . . . . 191 ASN C . 15643 1 821 . 1 1 208 208 ASN CA C 13 53.379 0.05 . 1 . . . . 191 ASN CA . 15643 1 822 . 1 1 208 208 ASN CB C 13 36.717 0.05 . 1 . . . . 191 ASN CB . 15643 1 823 . 1 1 208 208 ASN N N 15 121.105 0.1 . 1 . . . . 191 ASN N . 15643 1 824 . 1 1 209 209 CYS H H 1 7.619 0.01 . 1 . . . . 192 CYS HN . 15643 1 825 . 1 1 209 209 CYS C C 13 170.171 0.05 . 1 . . . . 192 CYS C . 15643 1 826 . 1 1 209 209 CYS CA C 13 51.831 0.05 . 1 . . . . 192 CYS CA . 15643 1 827 . 1 1 209 209 CYS CB C 13 32.164 0.05 . 1 . . . . 192 CYS CB . 15643 1 828 . 1 1 209 209 CYS N N 15 114.316 0.1 . 1 . . . . 192 CYS N . 15643 1 829 . 1 1 210 210 PRO C C 13 177.392 0.05 . 1 . . . . 193 PRO C . 15643 1 830 . 1 1 210 210 PRO CA C 13 61.755 0.05 . 1 . . . . 193 PRO CA . 15643 1 831 . 1 1 210 210 PRO CB C 13 31.483 0.05 . 1 . . . . 193 PRO CB . 15643 1 832 . 1 1 211 211 ASN H H 1 8.485 0.01 . 1 . . . . 194 ASN HN . 15643 1 833 . 1 1 211 211 ASN C C 13 177.814 0.05 . 1 . . . . 194 ASN C . 15643 1 834 . 1 1 211 211 ASN CA C 13 56.474 0.05 . 1 . . . . 194 ASN CA . 15643 1 835 . 1 1 211 211 ASN CB C 13 36.292 0.05 . 1 . . . . 194 ASN CB . 15643 1 836 . 1 1 211 211 ASN N N 15 120.59 0.1 . 1 . . . . 194 ASN N . 15643 1 837 . 1 1 212 212 GLY H H 1 9.38 0.01 . 1 . . . . 195 GLY HN . 15643 1 838 . 1 1 212 212 GLY C C 13 176.044 0.05 . 1 . . . . 195 GLY C . 15643 1 839 . 1 1 212 212 GLY CA C 13 46.571 0.05 . 1 . . . . 195 GLY CA . 15643 1 840 . 1 1 212 212 GLY N N 15 103.73 0.1 . 1 . . . . 195 GLY N . 15643 1 841 . 1 1 213 213 GLU H H 1 7.396 0.01 . 1 . . . . 196 GLU HN . 15643 1 842 . 1 1 213 213 GLU C C 13 178.366 0.05 . 1 . . . . 196 GLU C . 15643 1 843 . 1 1 213 213 GLU CA C 13 57.134 0.05 . 1 . . . . 196 GLU CA . 15643 1 844 . 1 1 213 213 GLU CB C 13 28.37 0.05 . 1 . . . . 196 GLU CB . 15643 1 845 . 1 1 213 213 GLU N N 15 120.847 0.1 . 1 . . . . 196 GLU N . 15643 1 846 . 1 1 214 214 LEU H H 1 8.042 0.01 . 1 . . . . 197 LEU HN . 15643 1 847 . 1 1 214 214 LEU C C 13 177.862 0.05 . 1 . . . . 197 LEU C . 15643 1 848 . 1 1 214 214 LEU CA C 13 57.605 0.05 . 1 . . . . 197 LEU CA . 15643 1 849 . 1 1 214 214 LEU CB C 13 39.687 0.05 . 1 . . . . 197 LEU CB . 15643 1 850 . 1 1 214 214 LEU N N 15 117.41 0.1 . 1 . . . . 197 LEU N . 15643 1 851 . 1 1 215 215 ARG H H 1 7.278 0.01 . 1 . . . . 198 ARG HN . 15643 1 852 . 1 1 215 215 ARG C C 13 176.109 0.05 . 1 . . . . 198 ARG C . 15643 1 853 . 1 1 215 215 ARG CA C 13 58.454 0.05 . 1 . . . . 198 ARG CA . 15643 1 854 . 1 1 215 215 ARG CB C 13 29.031 0.05 . 1 . . . . 198 ARG CB . 15643 1 855 . 1 1 215 215 ARG N N 15 116.177 0.1 . 1 . . . . 198 ARG N . 15643 1 856 . 1 1 216 216 HIS H H 1 7.084 0.01 . 1 . . . . 199 HIS HN . 15643 1 857 . 1 1 216 216 HIS C C 13 174.177 0.05 . 1 . . . . 199 HIS C . 15643 1 858 . 1 1 216 216 HIS CA C 13 55.153 0.05 . 1 . . . . 199 HIS CA . 15643 1 859 . 1 1 216 216 HIS CB C 13 29.408 0.05 . 1 . . . . 199 HIS CB . 15643 1 860 . 1 1 216 216 HIS N N 15 115.14 0.1 . 1 . . . . 199 HIS N . 15643 1 861 . 1 1 217 217 HIS H H 1 7.735 0.01 . 1 . . . . 200 HIS HN . 15643 1 862 . 1 1 217 217 HIS C C 13 171.92 0.05 . 1 . . . . 200 HIS C . 15643 1 863 . 1 1 217 217 HIS CA C 13 53.55 0.05 . 1 . . . . 200 HIS CA . 15643 1 864 . 1 1 217 217 HIS CB C 13 28.653 0.05 . 1 . . . . 200 HIS CB . 15643 1 865 . 1 1 217 217 HIS N N 15 119.043 0.1 . 1 . . . . 200 HIS N . 15643 1 866 . 1 1 218 218 PRO CA C 13 65.463 0.05 . 1 . . . . 201 PRO CA . 15643 1 867 . 1 1 219 219 GLN H H 1 8.586 0.01 . 1 . . . . 202 GLN HN . 15643 1 868 . 1 1 219 219 GLN C C 13 178.634 0.05 . 1 . . . . 202 GLN C . 15643 1 869 . 1 1 219 219 GLN CA C 13 59.304 0.05 . 1 . . . . 202 GLN CA . 15643 1 870 . 1 1 219 219 GLN N N 15 121.054 0.1 . 1 . . . . 202 GLN N . 15643 1 871 . 1 1 220 220 GLU H H 1 8.854 0.01 . 1 . . . . 203 GLU HN . 15643 1 872 . 1 1 220 220 GLU C C 13 179.114 0.05 . 1 . . . . 203 GLU C . 15643 1 873 . 1 1 220 220 GLU CA C 13 60.191 0.05 . 1 . . . . 203 GLU CA . 15643 1 874 . 1 1 220 220 GLU CB C 13 28.647 0.05 . 1 . . . . 203 GLU CB . 15643 1 875 . 1 1 220 220 GLU N N 15 122.051 0.1 . 1 . . . . 203 GLU N . 15643 1 876 . 1 1 221 221 ILE H H 1 7.551 0.01 . 1 . . . . 204 ILE HN . 15643 1 877 . 1 1 221 221 ILE C C 13 178.447 0.05 . 1 . . . . 204 ILE C . 15643 1 878 . 1 1 221 221 ILE CA C 13 65.766 0.05 . 1 . . . . 204 ILE CA . 15643 1 879 . 1 1 221 221 ILE CB C 13 38.174 0.05 . 1 . . . . 204 ILE CB . 15643 1 880 . 1 1 221 221 ILE N N 15 116.894 0.1 . 1 . . . . 204 ILE N . 15643 1 881 . 1 1 222 222 MET H H 1 8.027 0.01 . 1 . . . . 205 MET HN . 15643 1 882 . 1 1 222 222 MET C C 13 177.31 0.05 . 1 . . . . 205 MET C . 15643 1 883 . 1 1 222 222 MET CA C 13 57.722 0.05 . 1 . . . . 205 MET CA . 15643 1 884 . 1 1 222 222 MET CB C 13 31.47 0.05 . 1 . . . . 205 MET CB . 15643 1 885 . 1 1 222 222 MET N N 15 120.332 0.1 . 1 . . . . 205 MET N . 15643 1 886 . 1 1 223 223 GLN H H 1 8.079 0.01 . 1 . . . . 206 GLN HN . 15643 1 887 . 1 1 223 223 GLN C C 13 179.29 0.05 . 1 . . . . 206 GLN C . 15643 1 888 . 1 1 223 223 GLN CA C 13 58.992 0.05 . 1 . . . . 206 GLN CA . 15643 1 889 . 1 1 223 223 GLN CB C 13 28.224 0.05 . 1 . . . . 206 GLN CB . 15643 1 890 . 1 1 223 223 GLN N N 15 118.097 0.1 . 1 . . . . 206 GLN N . 15643 1 891 . 1 1 224 224 ILE H H 1 7.563 0.01 . 1 . . . . 207 ILE HN . 15643 1 892 . 1 1 224 224 ILE C C 13 178.794 0.05 . 1 . . . . 207 ILE C . 15643 1 893 . 1 1 224 224 ILE CA C 13 65.061 0.05 . 1 . . . . 207 ILE CA . 15643 1 894 . 1 1 224 224 ILE CB C 13 37.61 0.05 . 1 . . . . 207 ILE CB . 15643 1 895 . 1 1 224 224 ILE N N 15 118.011 0.1 . 1 . . . . 207 ILE N . 15643 1 896 . 1 1 225 225 CYS H H 1 8.25 0.01 . 1 . . . . 208 CYS HN . 15643 1 897 . 1 1 225 225 CYS C C 13 176.563 0.05 . 1 . . . . 208 CYS C . 15643 1 898 . 1 1 225 225 CYS CA C 13 65.244 0.05 . 1 . . . . 208 CYS CA . 15643 1 899 . 1 1 225 225 CYS CB C 13 27.333 0.05 . 1 . . . . 208 CYS CB . 15643 1 900 . 1 1 225 225 CYS N N 15 118.011 0.1 . 1 . . . . 208 CYS N . 15643 1 901 . 1 1 226 226 GLU H H 1 8.77 0.01 . 1 . . . . 209 GLU HN . 15643 1 902 . 1 1 226 226 GLU C C 13 179.616 0.05 . 1 . . . . 209 GLU C . 15643 1 903 . 1 1 226 226 GLU CA C 13 59.774 0.05 . 1 . . . . 209 GLU CA . 15643 1 904 . 1 1 226 226 GLU CB C 13 29.125 0.05 . 1 . . . . 209 GLU CB . 15643 1 905 . 1 1 226 226 GLU N N 15 119.988 0.1 . 1 . . . . 209 GLU N . 15643 1 906 . 1 1 227 227 GLU H H 1 7.058 0.01 . 1 . . . . 210 GLU HN . 15643 1 907 . 1 1 227 227 GLU C C 13 177.797 0.05 . 1 . . . . 210 GLU C . 15643 1 908 . 1 1 227 227 GLU CA C 13 58.831 0.05 . 1 . . . . 210 GLU CA . 15643 1 909 . 1 1 227 227 GLU CB C 13 30.068 0.05 . 1 . . . . 210 GLU CB . 15643 1 910 . 1 1 227 227 GLU N N 15 119.73 0.1 . 1 . . . . 210 GLU N . 15643 1 911 . 1 1 228 228 VAL H H 1 8.193 0.01 . 1 . . . . 211 VAL HN . 15643 1 912 . 1 1 228 228 VAL C C 13 178.202 0.05 . 1 . . . . 211 VAL C . 15643 1 913 . 1 1 228 228 VAL CA C 13 66.336 0.05 . 1 . . . . 211 VAL CA . 15643 1 914 . 1 1 228 228 VAL CB C 13 30.59 0.05 . 1 . . . . 211 VAL CB . 15643 1 915 . 1 1 228 228 VAL N N 15 116.542 0.1 . 1 . . . . 211 VAL N . 15643 1 916 . 1 1 229 229 ALA H H 1 8.638 0.01 . 1 . . . . 212 ALA HN . 15643 1 917 . 1 1 229 229 ALA C C 13 178.858 0.05 . 1 . . . . 212 ALA C . 15643 1 918 . 1 1 229 229 ALA CA C 13 54.877 0.05 . 1 . . . . 212 ALA CA . 15643 1 919 . 1 1 229 229 ALA CB C 13 17.133 0.05 . 1 . . . . 212 ALA CB . 15643 1 920 . 1 1 229 229 ALA N N 15 120.16 0.1 . 1 . . . . 212 ALA N . 15643 1 921 . 1 1 230 230 ALA H H 1 7.193 0.01 . 1 . . . . 213 ALA HN . 15643 1 922 . 1 1 230 230 ALA C C 13 180.299 0.05 . 1 . . . . 213 ALA C . 15643 1 923 . 1 1 230 230 ALA CA C 13 54.666 0.05 . 1 . . . . 213 ALA CA . 15643 1 924 . 1 1 230 230 ALA CB C 13 17.554 0.05 . 1 . . . . 213 ALA CB . 15643 1 925 . 1 1 230 230 ALA N N 15 119.215 0.1 . 1 . . . . 213 ALA N . 15643 1 926 . 1 1 231 231 VAL H H 1 7.235 0.01 . 1 . . . . 214 VAL HN . 15643 1 927 . 1 1 231 231 VAL C C 13 177.065 0.05 . 1 . . . . 214 VAL C . 15643 1 928 . 1 1 231 231 VAL CA C 13 65.916 0.05 . 1 . . . . 214 VAL CA . 15643 1 929 . 1 1 231 231 VAL CB C 13 31.116 0.05 . 1 . . . . 214 VAL CB . 15643 1 930 . 1 1 231 231 VAL N N 15 118.269 0.1 . 1 . . . . 214 VAL N . 15643 1 931 . 1 1 232 232 ILE H H 1 8.243 0.01 . 1 . . . . 215 ILE HN . 15643 1 932 . 1 1 232 232 ILE C C 13 177.914 0.05 . 1 . . . . 215 ILE C . 15643 1 933 . 1 1 232 232 ILE CA C 13 65.916 0.05 . 1 . . . . 215 ILE CA . 15643 1 934 . 1 1 232 232 ILE CB C 13 36.688 0.05 . 1 . . . . 215 ILE CB . 15643 1 935 . 1 1 232 232 ILE N N 15 119.043 0.1 . 1 . . . . 215 ILE N . 15643 1 936 . 1 1 233 233 GLU H H 1 7.736 0.01 . 1 . . . . 216 GLU HN . 15643 1 937 . 1 1 233 233 GLU C C 13 180.891 0.05 . 1 . . . . 216 GLU C . 15643 1 938 . 1 1 233 233 GLU CA C 13 58.767 0.05 . 1 . . . . 216 GLU CA . 15643 1 939 . 1 1 233 233 GLU CB C 13 28.698 0.05 . 1 . . . . 216 GLU CB . 15643 1 940 . 1 1 233 233 GLU N N 15 119.215 0.1 . 1 . . . . 216 GLU N . 15643 1 941 . 1 1 234 234 ARG H H 1 6.834 0.01 . 1 . . . . 217 ARG HN . 15643 1 942 . 1 1 234 234 ARG C C 13 177.85 0.05 . 1 . . . . 217 ARG C . 15643 1 943 . 1 1 234 234 ARG CA C 13 56.138 0.05 . 1 . . . . 217 ARG CA . 15643 1 944 . 1 1 234 234 ARG CB C 13 26.806 0.05 . 1 . . . . 217 ARG CB . 15643 1 945 . 1 1 234 234 ARG N N 15 119.215 0.1 . 1 . . . . 217 ARG N . 15643 1 946 . 1 1 235 235 GLU H H 1 7.397 0.01 . 1 . . . . 218 GLU HN . 15643 1 947 . 1 1 235 235 GLU C C 13 175.817 0.05 . 1 . . . . 218 GLU C . 15643 1 948 . 1 1 235 235 GLU CA C 13 56.138 0.05 . 1 . . . . 218 GLU CA . 15643 1 949 . 1 1 235 235 GLU CB C 13 29.119 0.05 . 1 . . . . 218 GLU CB . 15643 1 950 . 1 1 235 235 GLU N N 15 118.097 0.1 . 1 . . . . 218 GLU N . 15643 1 951 . 1 1 236 236 GLY H H 1 7.24 0.01 . 1 . . . . 219 GLY HN . 15643 1 952 . 1 1 236 236 GLY C C 13 173.239 0.05 . 1 . . . . 219 GLY C . 15643 1 953 . 1 1 236 236 GLY CA C 13 44.496 0.05 . 1 . . . . 219 GLY CA . 15643 1 954 . 1 1 236 236 GLY N N 15 105.034 0.1 . 1 . . . . 219 GLY N . 15643 1 955 . 1 1 237 237 HIS H H 1 7.023 0.01 . 1 . . . . 220 HIS HN . 15643 1 956 . 1 1 237 237 HIS C C 13 173.637 0.05 . 1 . . . . 220 HIS C . 15643 1 957 . 1 1 237 237 HIS CA C 13 53.625 0.05 . 1 . . . . 220 HIS CA . 15643 1 958 . 1 1 237 237 HIS CB C 13 30.37 0.05 . 1 . . . . 220 HIS CB . 15643 1 959 . 1 1 237 237 HIS N N 15 120.246 0.1 . 1 . . . . 220 HIS N . 15643 1 960 . 1 1 238 238 HIS CA C 13 56.399 0.05 . 1 . . . . 221 HIS CA . 15643 1 961 . 1 1 238 238 HIS CB C 13 29.572 0.05 . 1 . . . . 221 HIS CB . 15643 1 962 . 1 1 239 239 THR H H 1 8.04 0.01 . 1 . . . . 222 THR HN . 15643 1 963 . 1 1 239 239 THR C C 13 171.91 0.05 . 1 . . . . 222 THR C . 15643 1 964 . 1 1 239 239 THR CA C 13 60.884 0.05 . 1 . . . . 222 THR CA . 15643 1 965 . 1 1 239 239 THR CB C 13 69.24 0.05 . 1 . . . . 222 THR CB . 15643 1 966 . 1 1 239 239 THR N N 15 122.652 0.1 . 1 . . . . 222 THR N . 15643 1 967 . 1 1 240 240 SER H H 1 8.672 0.01 . 1 . . . . 223 SER HN . 15643 1 968 . 1 1 240 240 SER C C 13 174.479 0.05 . 1 . . . . 223 SER C . 15643 1 969 . 1 1 240 240 SER CA C 13 56.874 0.05 . 1 . . . . 223 SER CA . 15643 1 970 . 1 1 240 240 SER CB C 13 65.792 0.05 . 1 . . . . 223 SER CB . 15643 1 971 . 1 1 240 240 SER N N 15 118.183 0.1 . 1 . . . . 223 SER N . 15643 1 972 . 1 1 241 241 ALA H H 1 9.185 0.01 . 1 . . . . 224 ALA HN . 15643 1 973 . 1 1 241 241 ALA C C 13 178.703 0.05 . 1 . . . . 224 ALA C . 15643 1 974 . 1 1 241 241 ALA CA C 13 55.613 0.05 . 1 . . . . 224 ALA CA . 15643 1 975 . 1 1 241 241 ALA CB C 13 17.764 0.05 . 1 . . . . 224 ALA CB . 15643 1 976 . 1 1 241 241 ALA N N 15 126.004 0.1 . 1 . . . . 224 ALA N . 15643 1 977 . 1 1 242 242 GLU H H 1 8.664 0.01 . 1 . . . . 225 GLU HN . 15643 1 978 . 1 1 242 242 GLU C C 13 177.631 0.05 . 1 . . . . 225 GLU C . 15643 1 979 . 1 1 242 242 GLU CA C 13 60.239 0.05 . 1 . . . . 225 GLU CA . 15643 1 980 . 1 1 242 242 GLU CB C 13 28.383 0.05 . 1 . . . . 225 GLU CB . 15643 1 981 . 1 1 242 242 GLU N N 15 116.808 0.1 . 1 . . . . 225 GLU N . 15643 1 982 . 1 1 243 243 ASP H H 1 7.657 0.01 . 1 . . . . 226 ASP HN . 15643 1 983 . 1 1 243 243 ASP C C 13 179.621 0.05 . 1 . . . . 226 ASP C . 15643 1 984 . 1 1 243 243 ASP CA C 13 57.249 0.05 . 1 . . . . 226 ASP CA . 15643 1 985 . 1 1 243 243 ASP CB C 13 39.927 0.05 . 1 . . . . 226 ASP CB . 15643 1 986 . 1 1 243 243 ASP N N 15 120.246 0.1 . 1 . . . . 226 ASP N . 15643 1 987 . 1 1 244 244 LEU H H 1 7.974 0.01 . 1 . . . . 227 LEU HN . 15643 1 988 . 1 1 244 244 LEU C C 13 177.765 0.05 . 1 . . . . 227 LEU C . 15643 1 989 . 1 1 244 244 LEU CA C 13 57.61 0.05 . 1 . . . . 227 LEU CA . 15643 1 990 . 1 1 244 244 LEU CB C 13 40.789 0.05 . 1 . . . . 227 LEU CB . 15643 1 991 . 1 1 244 244 LEU N N 15 120.332 0.1 . 1 . . . . 227 LEU N . 15643 1 992 . 1 1 245 245 ARG H H 1 8.551 0.01 . 1 . . . . 228 ARG HN . 15643 1 993 . 1 1 245 245 ARG C C 13 178.561 0.05 . 1 . . . . 228 ARG C . 15643 1 994 . 1 1 245 245 ARG CA C 13 59.923 0.05 . 1 . . . . 228 ARG CA . 15643 1 995 . 1 1 245 245 ARG CB C 13 27.226 0.05 . 1 . . . . 228 ARG CB . 15643 1 996 . 1 1 245 245 ARG N N 15 121.793 0.1 . 1 . . . . 228 ARG N . 15643 1 997 . 1 1 246 246 ASP H H 1 8.331 0.01 . 1 . . . . 229 ASP HN . 15643 1 998 . 1 1 246 246 ASP C C 13 178.82 0.05 . 1 . . . . 229 ASP C . 15643 1 999 . 1 1 246 246 ASP CA C 13 57.505 0.05 . 1 . . . . 229 ASP CA . 15643 1 1000 . 1 1 246 246 ASP CB C 13 39.317 0.05 . 1 . . . . 229 ASP CB . 15643 1 1001 . 1 1 246 246 ASP N N 15 120.418 0.1 . 1 . . . . 229 ASP N . 15643 1 1002 . 1 1 247 247 TYR H H 1 7.9 0.01 . 1 . . . . 230 TYR HN . 15643 1 1003 . 1 1 247 247 TYR C C 13 177.651 0.05 . 1 . . . . 230 TYR C . 15643 1 1004 . 1 1 247 247 TYR CA C 13 59.546 0.05 . 1 . . . . 230 TYR CA . 15643 1 1005 . 1 1 247 247 TYR CB C 13 37.668 0.05 . 1 . . . . 230 TYR CB . 15643 1 1006 . 1 1 247 247 TYR N N 15 122.48 0.1 . 1 . . . . 230 TYR N . 15643 1 1007 . 1 1 248 248 VAL H H 1 8.833 0.01 . 1 . . . . 231 VAL HN . 15643 1 1008 . 1 1 248 248 VAL C C 13 178.057 0.05 . 1 . . . . 231 VAL C . 15643 1 1009 . 1 1 248 248 VAL CA C 13 66.652 0.05 . 1 . . . . 231 VAL CA . 15643 1 1010 . 1 1 248 248 VAL CB C 13 30.485 0.05 . 1 . . . . 231 VAL CB . 15643 1 1011 . 1 1 248 248 VAL N N 15 119.988 0.1 . 1 . . . . 231 VAL N . 15643 1 1012 . 1 1 249 249 MET H H 1 8.444 0.01 . 1 . . . . 232 MET HN . 15643 1 1013 . 1 1 249 249 MET C C 13 178.772 0.05 . 1 . . . . 232 MET C . 15643 1 1014 . 1 1 249 249 MET CA C 13 57.084 0.05 . 1 . . . . 232 MET CA . 15643 1 1015 . 1 1 249 249 MET CB C 13 28.803 0.05 . 1 . . . . 232 MET CB . 15643 1 1016 . 1 1 249 249 MET N N 15 116.808 0.1 . 1 . . . . 232 MET N . 15643 1 1017 . 1 1 250 250 GLN H H 1 7.71 0.01 . 1 . . . . 233 GLN HN . 15643 1 1018 . 1 1 250 250 GLN C C 13 179.502 0.05 . 1 . . . . 233 GLN C . 15643 1 1019 . 1 1 250 250 GLN CA C 13 58.661 0.05 . 1 . . . . 233 GLN CA . 15643 1 1020 . 1 1 250 250 GLN CB C 13 27.647 0.05 . 1 . . . . 233 GLN CB . 15643 1 1021 . 1 1 250 250 GLN N N 15 120.332 0.1 . 1 . . . . 233 GLN N . 15643 1 1022 . 1 1 251 251 VAL H H 1 7.905 0.01 . 1 . . . . 234 VAL HN . 15643 1 1023 . 1 1 251 251 VAL C C 13 180.152 0.05 . 1 . . . . 234 VAL C . 15643 1 1024 . 1 1 251 251 VAL CA C 13 66.441 0.05 . 1 . . . . 234 VAL CA . 15643 1 1025 . 1 1 251 251 VAL CB C 13 30.801 0.05 . 1 . . . . 234 VAL CB . 15643 1 1026 . 1 1 251 251 VAL N N 15 122.738 0.1 . 1 . . . . 234 VAL N . 15643 1 1027 . 1 1 252 252 ILE H H 1 8.732 0.01 . 1 . . . . 235 ILE HN . 15643 1 1028 . 1 1 252 252 ILE C C 13 176.807 0.05 . 1 . . . . 235 ILE C . 15643 1 1029 . 1 1 252 252 ILE CA C 13 66.441 0.05 . 1 . . . . 235 ILE CA . 15643 1 1030 . 1 1 252 252 ILE CB C 13 36.899 0.05 . 1 . . . . 235 ILE CB . 15643 1 1031 . 1 1 252 252 ILE N N 15 123.941 0.1 . 1 . . . . 235 ILE N . 15643 1 1032 . 1 1 253 253 ASP H H 1 7.822 0.01 . 1 . . . . 236 ASP HN . 15643 1 1033 . 1 1 253 253 ASP C C 13 178.918 0.05 . 1 . . . . 236 ASP C . 15643 1 1034 . 1 1 253 253 ASP CA C 13 57.295 0.05 . 1 . . . . 236 ASP CA . 15643 1 1035 . 1 1 253 253 ASP CB C 13 40.368 0.05 . 1 . . . . 236 ASP CB . 15643 1 1036 . 1 1 253 253 ASP N N 15 117.41 0.1 . 1 . . . . 236 ASP N . 15643 1 1037 . 1 1 254 254 ALA H H 1 7.644 0.01 . 1 . . . . 237 ALA HN . 15643 1 1038 . 1 1 254 254 ALA C C 13 178.906 0.05 . 1 . . . . 237 ALA C . 15643 1 1039 . 1 1 254 254 ALA CA C 13 53.696 0.05 . 1 . . . . 237 ALA CA . 15643 1 1040 . 1 1 254 254 ALA CB C 13 18.857 0.05 . 1 . . . . 237 ALA CB . 15643 1 1041 . 1 1 254 254 ALA N N 15 120.332 0.1 . 1 . . . . 237 ALA N . 15643 1 1042 . 1 1 255 255 THR H H 1 7.701 0.01 . 1 . . . . 238 THR HN . 15643 1 1043 . 1 1 255 255 THR C C 13 176.112 0.05 . 1 . . . . 238 THR C . 15643 1 1044 . 1 1 255 255 THR CA C 13 59.929 0.05 . 1 . . . . 238 THR CA . 15643 1 1045 . 1 1 255 255 THR CB C 13 69.322 0.05 . 1 . . . . 238 THR CB . 15643 1 1046 . 1 1 255 255 THR N N 15 108.901 0.1 . 1 . . . . 238 THR N . 15643 1 1047 . 1 1 256 256 ALA H H 1 6.859 0.01 . 1 . . . . 239 ALA HN . 15643 1 1048 . 1 1 256 256 ALA C C 13 179.747 0.05 . 1 . . . . 239 ALA C . 15643 1 1049 . 1 1 256 256 ALA CA C 13 55.404 0.05 . 1 . . . . 239 ALA CA . 15643 1 1050 . 1 1 256 256 ALA CB C 13 19.284 0.05 . 1 . . . . 239 ALA CB . 15643 1 1051 . 1 1 256 256 ALA N N 15 124.715 0.1 . 1 . . . . 239 ALA N . 15643 1 1052 . 1 1 257 257 GLU H H 1 8.676 0.01 . 1 . . . . 240 GLU HN . 15643 1 1053 . 1 1 257 257 GLU C C 13 176.483 0.05 . 1 . . . . 240 GLU C . 15643 1 1054 . 1 1 257 257 GLU CA C 13 55.83 0.05 . 1 . . . . 240 GLU CA . 15643 1 1055 . 1 1 257 257 GLU CB C 13 29.019 0.05 . 1 . . . . 240 GLU CB . 15643 1 1056 . 1 1 257 257 GLU N N 15 115.347 0.1 . 1 . . . . 240 GLU N . 15643 1 1057 . 1 1 258 258 ASN H H 1 8.222 0.01 . 1 . . . . 241 ASN HN . 15643 1 1058 . 1 1 258 258 ASN C C 13 172.57 0.05 . 1 . . . . 241 ASN C . 15643 1 1059 . 1 1 258 258 ASN CA C 13 53.183 0.05 . 1 . . . . 241 ASN CA . 15643 1 1060 . 1 1 258 258 ASN CB C 13 38.667 0.05 . 1 . . . . 241 ASN CB . 15643 1 1061 . 1 1 258 258 ASN N N 15 120.332 0.1 . 1 . . . . 241 ASN N . 15643 1 1062 . 1 1 259 259 ILE H H 1 7.874 0.01 . 1 . . . . 242 ILE HN . 15643 1 1063 . 1 1 259 259 ILE C C 13 178.078 0.05 . 1 . . . . 242 ILE C . 15643 1 1064 . 1 1 259 259 ILE CA C 13 56.514 0.05 . 1 . . . . 242 ILE CA . 15643 1 1065 . 1 1 259 259 ILE CB C 13 35.337 0.05 . 1 . . . . 242 ILE CB . 15643 1 1066 . 1 1 259 259 ILE N N 15 119.043 0.1 . 1 . . . . 242 ILE N . 15643 1 1067 . 1 1 260 260 SER H H 1 9.785 0.01 . 1 . . . . 243 SER HN . 15643 1 1068 . 1 1 260 260 SER CA C 13 58.737 0.05 . 1 . . . . 243 SER CA . 15643 1 1069 . 1 1 260 260 SER CB C 13 64.301 0.05 . 1 . . . . 243 SER CB . 15643 1 1070 . 1 1 260 260 SER N N 15 128.496 0.1 . 1 . . . . 243 SER N . 15643 1 1071 . 1 1 261 261 SER C C 13 176.329 0.05 . 1 . . . . 244 SER C . 15643 1 1072 . 1 1 262 262 MET H H 1 7.116 0.01 . 1 . . . . 245 MET HN . 15643 1 1073 . 1 1 262 262 MET C C 13 177.392 0.05 . 1 . . . . 245 MET C . 15643 1 1074 . 1 1 262 262 MET CA C 13 58.643 0.05 . 1 . . . . 245 MET CA . 15643 1 1075 . 1 1 262 262 MET CB C 13 32.803 0.05 . 1 . . . . 245 MET CB . 15643 1 1076 . 1 1 262 262 MET N N 15 119.558 0.1 . 1 . . . . 245 MET N . 15643 1 1077 . 1 1 263 263 LEU H H 1 8.215 0.01 . 1 . . . . 246 LEU HN . 15643 1 1078 . 1 1 263 263 LEU C C 13 178.463 0.05 . 1 . . . . 246 LEU C . 15643 1 1079 . 1 1 263 263 LEU CA C 13 57.417 0.05 . 1 . . . . 246 LEU CA . 15643 1 1080 . 1 1 263 263 LEU CB C 13 39.31 0.05 . 1 . . . . 246 LEU CB . 15643 1 1081 . 1 1 263 263 LEU N N 15 122.137 0.1 . 1 . . . . 246 LEU N . 15643 1 1082 . 1 1 264 264 GLN H H 1 8.672 0.01 . 1 . . . . 247 GLN HN . 15643 1 1083 . 1 1 264 264 GLN C C 13 179.324 0.05 . 1 . . . . 247 GLN C . 15643 1 1084 . 1 1 264 264 GLN CA C 13 59.623 0.05 . 1 . . . . 247 GLN CA . 15643 1 1085 . 1 1 264 264 GLN CB C 13 27.985 0.05 . 1 . . . . 247 GLN CB . 15643 1 1086 . 1 1 264 264 GLN N N 15 118.957 0.1 . 1 . . . . 247 GLN N . 15643 1 1087 . 1 1 265 265 ASP H H 1 7.688 0.01 . 1 . . . . 248 ASP HN . 15643 1 1088 . 1 1 265 265 ASP C C 13 177.164 0.05 . 1 . . . . 248 ASP C . 15643 1 1089 . 1 1 265 265 ASP CA C 13 58.548 0.05 . 1 . . . . 248 ASP CA . 15643 1 1090 . 1 1 265 265 ASP CB C 13 39.781 0.05 . 1 . . . . 248 ASP CB . 15643 1 1091 . 1 1 265 265 ASP N N 15 120.246 0.1 . 1 . . . . 248 ASP N . 15643 1 1092 . 1 1 266 266 ILE H H 1 8.131 0.01 . 1 . . . . 249 ILE HN . 15643 1 1093 . 1 1 266 266 ILE C C 13 180.964 0.05 . 1 . . . . 249 ILE C . 15643 1 1094 . 1 1 266 266 ILE CA C 13 62.657 0.05 . 1 . . . . 249 ILE CA . 15643 1 1095 . 1 1 266 266 ILE CB C 13 36.688 0.05 . 1 . . . . 249 ILE CB . 15643 1 1096 . 1 1 266 266 ILE N N 15 121.879 0.1 . 1 . . . . 249 ILE N . 15643 1 1097 . 1 1 267 267 ARG H H 1 8.722 0.01 . 1 . . . . 250 ARG HN . 15643 1 1098 . 1 1 267 267 ARG C C 13 177.343 0.05 . 1 . . . . 250 ARG C . 15643 1 1099 . 1 1 267 267 ARG CA C 13 59.187 0.05 . 1 . . . . 250 ARG CA . 15643 1 1100 . 1 1 267 267 ARG CB C 13 29.96 0.05 . 1 . . . . 250 ARG CB . 15643 1 1101 . 1 1 267 267 ARG N N 15 119.988 0.1 . 1 . . . . 250 ARG N . 15643 1 1102 . 1 1 268 268 ALA H H 1 7.448 0.01 . 1 . . . . 251 ALA HN . 15643 1 1103 . 1 1 268 268 ALA C C 13 177.577 0.05 . 1 . . . . 251 ALA C . 15643 1 1104 . 1 1 268 268 ALA CA C 13 50.966 0.05 . 1 . . . . 251 ALA CA . 15643 1 1105 . 1 1 268 268 ALA CB C 13 18.634 0.05 . 1 . . . . 251 ALA CB . 15643 1 1106 . 1 1 268 268 ALA N N 15 119.558 0.1 . 1 . . . . 251 ALA N . 15643 1 1107 . 1 1 269 269 LEU H H 1 7.556 0.01 . 1 . . . . 252 LEU HN . 15643 1 1108 . 1 1 269 269 LEU C C 13 176.019 0.05 . 1 . . . . 252 LEU C . 15643 1 1109 . 1 1 269 269 LEU CA C 13 54.879 0.05 . 1 . . . . 252 LEU CA . 15643 1 1110 . 1 1 269 269 LEU CB C 13 36.646 0.05 . 1 . . . . 252 LEU CB . 15643 1 1111 . 1 1 269 269 LEU N N 15 117.925 0.1 . 1 . . . . 252 LEU N . 15643 1 1112 . 1 1 270 270 ARG H H 1 8.272 0.01 . 1 . . . . 253 ARG HN . 15643 1 1113 . 1 1 270 270 ARG C C 13 176.483 0.05 . 1 . . . . 253 ARG C . 15643 1 1114 . 1 1 270 270 ARG CA C 13 54.215 0.05 . 1 . . . . 253 ARG CA . 15643 1 1115 . 1 1 270 270 ARG CB C 13 32.807 0.05 . 1 . . . . 253 ARG CB . 15643 1 1116 . 1 1 270 270 ARG N N 15 117.324 0.1 . 1 . . . . 253 ARG N . 15643 1 1117 . 1 1 271 271 HIS H H 1 8.603 0.01 . 1 . . . . 254 HIS HN . 15643 1 1118 . 1 1 271 271 HIS C C 13 174.443 0.05 . 1 . . . . 254 HIS C . 15643 1 1119 . 1 1 271 271 HIS CA C 13 56.946 0.05 . 1 . . . . 254 HIS CA . 15643 1 1120 . 1 1 271 271 HIS CB C 13 28.083 0.05 . 1 . . . . 254 HIS CB . 15643 1 1121 . 1 1 271 271 HIS N N 15 124.801 0.1 . 1 . . . . 254 HIS N . 15643 1 1122 . 1 1 272 272 THR H H 1 8.478 0.01 . 1 . . . . 255 THR HN . 15643 1 1123 . 1 1 272 272 THR C C 13 175.871 0.05 . 1 . . . . 255 THR C . 15643 1 1124 . 1 1 272 272 THR CA C 13 61.67 0.05 . 1 . . . . 255 THR CA . 15643 1 1125 . 1 1 272 272 THR CB C 13 71.857 0.05 . 1 . . . . 255 THR CB . 15643 1 1126 . 1 1 272 272 THR N N 15 118.011 0.1 . 1 . . . . 255 THR N . 15643 1 1127 . 1 1 273 273 GLU H H 1 9.909 0.01 . 1 . . . . 256 GLU HN . 15643 1 1128 . 1 1 273 273 GLU C C 13 177.781 0.05 . 1 . . . . 256 GLU C . 15643 1 1129 . 1 1 273 273 GLU CA C 13 56.429 0.05 . 1 . . . . 256 GLU CA . 15643 1 1130 . 1 1 273 273 GLU CB C 13 29.633 0.05 . 1 . . . . 256 GLU CB . 15643 1 1131 . 1 1 273 273 GLU N N 15 116.035 0.1 . 1 . . . . 256 GLU N . 15643 1 1132 . 1 1 274 274 ILE H H 1 8.139 0.01 . 1 . . . . 257 ILE HN . 15643 1 1133 . 1 1 274 274 ILE C C 13 176.13 0.05 . 1 . . . . 257 ILE C . 15643 1 1134 . 1 1 274 274 ILE CA C 13 63.516 0.05 . 1 . . . . 257 ILE CA . 15643 1 1135 . 1 1 274 274 ILE CB C 13 37.827 0.05 . 1 . . . . 257 ILE CB . 15643 1 1136 . 1 1 274 274 ILE N N 15 120.332 0.1 . 1 . . . . 257 ILE N . 15643 1 1137 . 1 1 275 275 ASP H H 1 9.141 0.01 . 1 . . . . 258 ASP HN . 15643 1 1138 . 1 1 275 275 ASP C C 13 175.147 0.05 . 1 . . . . 258 ASP C . 15643 1 1139 . 1 1 275 275 ASP CA C 13 58.201 0.05 . 1 . . . . 258 ASP CA . 15643 1 1140 . 1 1 275 275 ASP CB C 13 39.599 0.05 . 1 . . . . 258 ASP CB . 15643 1 1141 . 1 1 275 275 ASP N N 15 124.371 0.1 . 1 . . . . 258 ASP N . 15643 1 1142 . 1 1 276 276 TYR H H 1 8.193 0.01 . 1 . . . . 259 TYR HN . 15643 1 1143 . 1 1 276 276 TYR C C 13 173.17 0.05 . 1 . . . . 259 TYR C . 15643 1 1144 . 1 1 276 276 TYR CA C 13 57.926 0.05 . 1 . . . . 259 TYR CA . 15643 1 1145 . 1 1 276 276 TYR CB C 13 38.476 0.05 . 1 . . . . 259 TYR CB . 15643 1 1146 . 1 1 276 276 TYR N N 15 116.464 0.1 . 1 . . . . 259 TYR N . 15643 1 1147 . 1 1 277 277 ILE H H 1 7.285 0.01 . 1 . . . . 260 ILE HN . 15643 1 1148 . 1 1 277 277 ILE C C 13 175.476 0.05 . 1 . . . . 260 ILE C . 15643 1 1149 . 1 1 277 277 ILE CA C 13 60.028 0.05 . 1 . . . . 260 ILE CA . 15643 1 1150 . 1 1 277 277 ILE CB C 13 37.319 0.05 . 1 . . . . 260 ILE CB . 15643 1 1151 . 1 1 277 277 ILE N N 15 120.59 0.1 . 1 . . . . 260 ILE N . 15643 1 1152 . 1 1 278 278 ASN H H 1 8.685 0.01 . 1 . . . . 261 ASN HN . 15643 1 1153 . 1 1 278 278 ASN C C 13 176.281 0.05 . 1 . . . . 261 ASN C . 15643 1 1154 . 1 1 278 278 ASN CA C 13 57.014 0.05 . 1 . . . . 261 ASN CA . 15643 1 1155 . 1 1 278 278 ASN CB C 13 36.961 0.05 . 1 . . . . 261 ASN CB . 15643 1 1156 . 1 1 278 278 ASN N N 15 119.472 0.1 . 1 . . . . 261 ASN N . 15643 1 1157 . 1 1 279 279 GLY H H 1 9.016 0.01 . 1 . . . . 262 GLY HN . 15643 1 1158 . 1 1 279 279 GLY C C 13 174.81 0.05 . 1 . . . . 262 GLY C . 15643 1 1159 . 1 1 279 279 GLY CA C 13 47.955 0.05 . 1 . . . . 262 GLY CA . 15643 1 1160 . 1 1 279 279 GLY N N 15 102.4 0.1 . 1 . . . . 262 GLY N . 15643 1 1161 . 1 1 280 280 PHE H H 1 6.364 0.01 . 1 . . . . 263 PHE HN . 15643 1 1162 . 1 1 280 280 PHE C C 13 176.645 0.05 . 1 . . . . 263 PHE C . 15643 1 1163 . 1 1 280 280 PHE CA C 13 61.148 0.05 . 1 . . . . 263 PHE CA . 15643 1 1164 . 1 1 280 280 PHE CB C 13 38.544 0.05 . 1 . . . . 263 PHE CB . 15643 1 1165 . 1 1 280 280 PHE N N 15 123.512 0.1 . 1 . . . . 263 PHE N . 15643 1 1166 . 1 1 281 281 LEU H H 1 7.174 0.01 . 1 . . . . 264 LEU HN . 15643 1 1167 . 1 1 281 281 LEU C C 13 178.89 0.05 . 1 . . . . 264 LEU C . 15643 1 1168 . 1 1 281 281 LEU CA C 13 57.718 0.05 . 1 . . . . 264 LEU CA . 15643 1 1169 . 1 1 281 281 LEU CB C 13 40.655 0.05 . 1 . . . . 264 LEU CB . 15643 1 1170 . 1 1 281 281 LEU N N 15 120.246 0.1 . 1 . . . . 264 LEU N . 15643 1 1171 . 1 1 282 282 LEU H H 1 8.168 0.01 . 1 . . . . 265 LEU HN . 15643 1 1172 . 1 1 282 282 LEU C C 13 179.746 0.05 . 1 . . . . 265 LEU C . 15643 1 1173 . 1 1 282 282 LEU CA C 13 58.301 0.05 . 1 . . . . 265 LEU CA . 15643 1 1174 . 1 1 282 282 LEU CB C 13 40.411 0.05 . 1 . . . . 265 LEU CB . 15643 1 1175 . 1 1 282 282 LEU N N 15 118.011 0.1 . 1 . . . . 265 LEU N . 15643 1 1176 . 1 1 283 283 ARG H H 1 7.334 0.01 . 1 . . . . 266 ARG HN . 15643 1 1177 . 1 1 283 283 ARG C C 13 179.86 0.05 . 1 . . . . 266 ARG C . 15643 1 1178 . 1 1 283 283 ARG CA C 13 59.799 0.05 . 1 . . . . 266 ARG CA . 15643 1 1179 . 1 1 283 283 ARG CB C 13 29.131 0.05 . 1 . . . . 266 ARG CB . 15643 1 1180 . 1 1 283 283 ARG N N 15 119.816 0.1 . 1 . . . . 266 ARG N . 15643 1 1181 . 1 1 284 284 ARG H H 1 7.741 0.01 . 1 . . . . 267 ARG HN . 15643 1 1182 . 1 1 284 284 ARG C C 13 177.586 0.05 . 1 . . . . 267 ARG C . 15643 1 1183 . 1 1 284 284 ARG CA C 13 55.569 0.05 . 1 . . . . 267 ARG CA . 15643 1 1184 . 1 1 284 284 ARG CB C 13 26.399 0.05 . 1 . . . . 267 ARG CB . 15643 1 1185 . 1 1 284 284 ARG N N 15 118.785 0.1 . 1 . . . . 267 ARG N . 15643 1 1186 . 1 1 285 285 ALA H H 1 8.961 0.01 . 1 . . . . 268 ALA HN . 15643 1 1187 . 1 1 285 285 ALA C C 13 180.054 0.05 . 1 . . . . 268 ALA C . 15643 1 1188 . 1 1 285 285 ALA CA C 13 55.922 0.05 . 1 . . . . 268 ALA CA . 15643 1 1189 . 1 1 285 285 ALA CB C 13 18.644 0.05 . 1 . . . . 268 ALA CB . 15643 1 1190 . 1 1 285 285 ALA N N 15 121.965 0.1 . 1 . . . . 268 ALA N . 15643 1 1191 . 1 1 286 286 ARG H H 1 7.849 0.01 . 1 . . . . 269 ARG HN . 15643 1 1192 . 1 1 286 286 ARG C C 13 179.486 0.05 . 1 . . . . 269 ARG C . 15643 1 1193 . 1 1 286 286 ARG CA C 13 58.477 0.05 . 1 . . . . 269 ARG CA . 15643 1 1194 . 1 1 286 286 ARG CB C 13 28.867 0.05 . 1 . . . . 269 ARG CB . 15643 1 1195 . 1 1 286 286 ARG N N 15 117.668 0.1 . 1 . . . . 269 ARG N . 15643 1 1196 . 1 1 287 287 ALA H H 1 7.193 0.01 . 1 . . . . 270 ALA HN . 15643 1 1197 . 1 1 287 287 ALA C C 13 179.243 0.05 . 1 . . . . 270 ALA C . 15643 1 1198 . 1 1 287 287 ALA CA C 13 54.6 0.05 . 1 . . . . 270 ALA CA . 15643 1 1199 . 1 1 287 287 ALA CB C 13 16.705 0.05 . 1 . . . . 270 ALA CB . 15643 1 1200 . 1 1 287 287 ALA N N 15 122.91 0.1 . 1 . . . . 270 ALA N . 15643 1 1201 . 1 1 288 288 HIS H H 1 7.29 0.01 . 1 . . . . 271 HIS HN . 15643 1 1202 . 1 1 288 288 HIS C C 13 175.687 0.05 . 1 . . . . 271 HIS C . 15643 1 1203 . 1 1 288 288 HIS CA C 13 56.01 0.05 . 1 . . . . 271 HIS CA . 15643 1 1204 . 1 1 288 288 HIS CB C 13 32.832 0.05 . 1 . . . . 271 HIS CB . 15643 1 1205 . 1 1 288 288 HIS N N 15 114.058 0.1 . 1 . . . . 271 HIS N . 15643 1 1206 . 1 1 289 289 GLY H H 1 7.866 0.01 . 1 . . . . 272 GLY HN . 15643 1 1207 . 1 1 289 289 GLY C C 13 174.566 0.05 . 1 . . . . 272 GLY C . 15643 1 1208 . 1 1 289 289 GLY CA C 13 46.316 0.05 . 1 . . . . 272 GLY CA . 15643 1 1209 . 1 1 289 289 GLY N N 15 110.66 0.1 . 1 . . . . 272 GLY N . 15643 1 1210 . 1 1 290 290 ILE H H 1 8.003 0.01 . 1 . . . . 273 ILE HN . 15643 1 1211 . 1 1 290 290 ILE C C 13 174.842 0.05 . 1 . . . . 273 ILE C . 15643 1 1212 . 1 1 290 290 ILE CA C 13 59.271 0.05 . 1 . . . . 273 ILE CA . 15643 1 1213 . 1 1 290 290 ILE CB C 13 39.618 0.05 . 1 . . . . 273 ILE CB . 15643 1 1214 . 1 1 290 290 ILE N N 15 121.449 0.1 . 1 . . . . 273 ILE N . 15643 1 1215 . 1 1 291 291 ALA H H 1 8.508 0.01 . 1 . . . . 274 ALA HN . 15643 1 1216 . 1 1 291 291 ALA C C 13 176.661 0.05 . 1 . . . . 274 ALA C . 15643 1 1217 . 1 1 291 291 ALA CA C 13 52.309 0.05 . 1 . . . . 274 ALA CA . 15643 1 1218 . 1 1 291 291 ALA CB C 13 18.291 0.05 . 1 . . . . 274 ALA CB . 15643 1 1219 . 1 1 291 291 ALA N N 15 131.48 0.1 . 1 . . . . 274 ALA N . 15643 1 1220 . 1 1 292 292 VAL H H 1 8.339 0.01 . 1 . . . . 275 VAL HN . 15643 1 1221 . 1 1 292 292 VAL C C 13 174.339 0.05 . 1 . . . . 275 VAL C . 15643 1 1222 . 1 1 292 292 VAL CA C 13 57.332 0.05 . 1 . . . . 275 VAL CA . 15643 1 1223 . 1 1 292 292 VAL CB C 13 31.599 0.05 . 1 . . . . 275 VAL CB . 15643 1 1224 . 1 1 292 292 VAL N N 15 114.488 0.1 . 1 . . . . 275 VAL N . 15643 1 1225 . 1 1 293 293 PRO C C 13 179.963 0.05 . 1 . . . . 276 PRO C . 15643 1 1226 . 1 1 293 293 PRO CA C 13 65.636 0.05 . 1 . . . . 276 PRO CA . 15643 1 1227 . 1 1 293 293 PRO CB C 13 31.043 0.05 . 1 . . . . 276 PRO CB . 15643 1 1228 . 1 1 294 294 GLU H H 1 11.619 0.01 . 1 . . . . 277 GLU HN . 15643 1 1229 . 1 1 294 294 GLU C C 13 180.075 0.05 . 1 . . . . 277 GLU C . 15643 1 1230 . 1 1 294 294 GLU CA C 13 58.718 0.05 . 1 . . . . 277 GLU CA . 15643 1 1231 . 1 1 294 294 GLU CB C 13 27.295 0.05 . 1 . . . . 277 GLU CB . 15643 1 1232 . 1 1 294 294 GLU N N 15 126.949 0.1 . 1 . . . . 277 GLU N . 15643 1 1233 . 1 1 295 295 ASN H H 1 10.315 0.01 . 1 . . . . 278 ASN HN . 15643 1 1234 . 1 1 295 295 ASN C C 13 177.708 0.05 . 1 . . . . 278 ASN C . 15643 1 1235 . 1 1 295 295 ASN CA C 13 58.429 0.05 . 1 . . . . 278 ASN CA . 15643 1 1236 . 1 1 295 295 ASN CB C 13 40.844 0.05 . 1 . . . . 278 ASN CB . 15643 1 1237 . 1 1 295 295 ASN N N 15 121.81 0.1 . 1 . . . . 278 ASN N . 15643 1 1238 . 1 1 296 296 THR H H 1 8.197 0.01 . 1 . . . . 279 THR HN . 15643 1 1239 . 1 1 296 296 THR CA C 13 67.581 0.05 . 1 . . . . 279 THR CA . 15643 1 1240 . 1 1 296 296 THR N N 15 116.464 0.1 . 1 . . . . 279 THR N . 15643 1 1241 . 1 1 297 297 ARG H H 1 7.856 0.01 . 1 . . . . 280 ARG HN . 15643 1 1242 . 1 1 297 297 ARG CA C 13 59.294 0.05 . 1 . . . . 280 ARG CA . 15643 1 1243 . 1 1 297 297 ARG N N 15 123.68 0.1 . 1 . . . . 280 ARG N . 15643 1 1244 . 1 1 298 298 LEU H H 1 8.075 0.01 . 1 . . . . 281 LEU HN . 15643 1 1245 . 1 1 298 298 LEU C C 13 178.186 0.05 . 1 . . . . 281 LEU C . 15643 1 1246 . 1 1 298 298 LEU CA C 13 57.754 0.05 . 1 . . . . 281 LEU CA . 15643 1 1247 . 1 1 298 298 LEU N N 15 118.62 0.1 . 1 . . . . 281 LEU N . 15643 1 1248 . 1 1 299 299 PHE H H 1 8.143 0.01 . 1 . . . . 282 PHE HN . 15643 1 1249 . 1 1 299 299 PHE C C 13 176.109 0.05 . 1 . . . . 282 PHE C . 15643 1 1250 . 1 1 299 299 PHE CA C 13 61.66 0.05 . 1 . . . . 282 PHE CA . 15643 1 1251 . 1 1 299 299 PHE CB C 13 39.97 0.05 . 1 . . . . 282 PHE CB . 15643 1 1252 . 1 1 299 299 PHE N N 15 119.043 0.1 . 1 . . . . 282 PHE N . 15643 1 1253 . 1 1 300 300 GLU H H 1 8.399 0.01 . 1 . . . . 283 GLU HN . 15643 1 1254 . 1 1 300 300 GLU C C 13 179.989 0.05 . 1 . . . . 283 GLU C . 15643 1 1255 . 1 1 300 300 GLU CA C 13 58.925 0.05 . 1 . . . . 283 GLU CA . 15643 1 1256 . 1 1 300 300 GLU CB C 13 28.653 0.05 . 1 . . . . 283 GLU CB . 15643 1 1257 . 1 1 300 300 GLU N N 15 117.238 0.1 . 1 . . . . 283 GLU N . 15643 1 1258 . 1 1 301 301 MET H H 1 8.304 0.01 . 1 . . . . 284 MET HN . 15643 1 1259 . 1 1 301 301 MET C C 13 179.535 0.05 . 1 . . . . 284 MET C . 15643 1 1260 . 1 1 301 301 MET CA C 13 59.114 0.05 . 1 . . . . 284 MET CA . 15643 1 1261 . 1 1 301 301 MET N N 15 119.315 0.1 . 1 . . . . 284 MET N . 15643 1 1262 . 1 1 302 302 VAL H H 1 8.04 0.01 . 1 . . . . 285 VAL HN . 15643 1 1263 . 1 1 302 302 VAL C C 13 177.521 0.05 . 1 . . . . 285 VAL C . 15643 1 1264 . 1 1 302 302 VAL CA C 13 67.507 0.05 . 1 . . . . 285 VAL CA . 15643 1 1265 . 1 1 302 302 VAL CB C 13 30.728 0.05 . 1 . . . . 285 VAL CB . 15643 1 1266 . 1 1 302 302 VAL N N 15 121.707 0.1 . 1 . . . . 285 VAL N . 15643 1 1267 . 1 1 303 303 LYS H H 1 7.995 0.01 . 1 . . . . 286 LYS HN . 15643 1 1268 . 1 1 303 303 LYS C C 13 180.233 0.05 . 1 . . . . 286 LYS C . 15643 1 1269 . 1 1 303 303 LYS CA C 13 57.511 0.05 . 1 . . . . 286 LYS CA . 15643 1 1270 . 1 1 303 303 LYS CB C 13 29.785 0.05 . 1 . . . . 286 LYS CB . 15643 1 1271 . 1 1 303 303 LYS N N 15 118.871 0.1 . 1 . . . . 286 LYS N . 15643 1 1272 . 1 1 304 304 ARG H H 1 7.976 0.01 . 1 . . . . 287 ARG HN . 15643 1 1273 . 1 1 304 304 ARG C C 13 179.372 0.05 . 1 . . . . 287 ARG C . 15643 1 1274 . 1 1 304 304 ARG CA C 13 59.02 0.05 . 1 . . . . 287 ARG CA . 15643 1 1275 . 1 1 304 304 ARG CB C 13 28.936 0.05 . 1 . . . . 287 ARG CB . 15643 1 1276 . 1 1 304 304 ARG N N 15 120.074 0.1 . 1 . . . . 287 ARG N . 15643 1 1277 . 1 1 305 305 LYS H H 1 7.561 0.01 . 1 . . . . 288 LYS HN . 15643 1 1278 . 1 1 305 305 LYS C C 13 178.902 0.05 . 1 . . . . 288 LYS C . 15643 1 1279 . 1 1 305 305 LYS CA C 13 58.925 0.05 . 1 . . . . 288 LYS CA . 15643 1 1280 . 1 1 305 305 LYS CB C 13 30.634 0.05 . 1 . . . . 288 LYS CB . 15643 1 1281 . 1 1 305 305 LYS N N 15 121.793 0.1 . 1 . . . . 288 LYS N . 15643 1 1282 . 1 1 306 306 GLU H H 1 7.994 0.01 . 1 . . . . 289 GLU HN . 15643 1 1283 . 1 1 306 306 GLU C C 13 178.544 0.05 . 1 . . . . 289 GLU C . 15643 1 1284 . 1 1 306 306 GLU CA C 13 58.36 0.05 . 1 . . . . 289 GLU CA . 15643 1 1285 . 1 1 306 306 GLU CB C 13 29.691 0.05 . 1 . . . . 289 GLU CB . 15643 1 1286 . 1 1 306 306 GLU N N 15 118.871 0.1 . 1 . . . . 289 GLU N . 15643 1 1287 . 1 1 307 307 SER H H 1 7.718 0.01 . 1 . . . . 290 SER HN . 15643 1 1288 . 1 1 307 307 SER CA C 13 60.554 0.05 . 1 . . . . 290 SER CA . 15643 1 1289 . 1 1 307 307 SER CB C 13 62.972 0.05 . 1 . . . . 290 SER CB . 15643 1 1290 . 1 1 307 307 SER N N 15 114.144 0.1 . 1 . . . . 290 SER N . 15643 1 1291 . 1 1 308 308 GLU H H 1 7.263 0.01 . 1 . . . . 291 GLU HN . 15643 1 1292 . 1 1 308 308 GLU CA C 13 57.772 0.05 . 1 . . . . 291 GLU CA . 15643 1 1293 . 1 1 308 308 GLU CB C 13 29.224 0.05 . 1 . . . . 291 GLU CB . 15643 1 1294 . 1 1 308 308 GLU N N 15 120.246 0.1 . 1 . . . . 291 GLU N . 15643 1 1295 . 1 1 309 309 TYR H H 1 7.09 0.01 . 1 . . . . 292 TYR HN . 15643 1 1296 . 1 1 309 309 TYR CA C 13 56.243 0.05 . 1 . . . . 292 TYR CA . 15643 1 1297 . 1 1 309 309 TYR CB C 13 38.055 0.05 . 1 . . . . 292 TYR CB . 15643 1 1298 . 1 1 309 309 TYR N N 15 114.9 0.1 . 1 . . . . 292 TYR N . 15643 1 1299 . 1 1 310 310 GLU H H 1 7.867 0.01 . 1 . . . . 293 GLU HN . 15643 1 1300 . 1 1 310 310 GLU CA C 13 57.4 0.05 . 1 . . . . 293 GLU CA . 15643 1 1301 . 1 1 310 310 GLU CB C 13 29.329 0.05 . 1 . . . . 293 GLU CB . 15643 1 1302 . 1 1 310 310 GLU N N 15 123.34 0.1 . 1 . . . . 293 GLU N . 15643 1 1303 . 1 1 311 311 ARG H H 1 8.058 0.01 . 1 . . . . 294 ARG HN . 15643 1 1304 . 1 1 311 311 ARG CA C 13 56.138 0.05 . 1 . . . . 294 ARG CA . 15643 1 1305 . 1 1 311 311 ARG CB C 13 29.855 0.05 . 1 . . . . 294 ARG CB . 15643 1 1306 . 1 1 311 311 ARG N N 15 120.933 0.1 . 1 . . . . 294 ARG N . 15643 1 1307 . 1 1 312 312 ILE H H 1 7.911 0.01 . 1 . . . . 295 ILE HN . 15643 1 1308 . 1 1 312 312 ILE CA C 13 61.395 0.05 . 1 . . . . 295 ILE CA . 15643 1 1309 . 1 1 312 312 ILE CB C 13 37.845 0.05 . 1 . . . . 295 ILE CB . 15643 1 1310 . 1 1 312 312 ILE N N 15 121.277 0.1 . 1 . . . . 295 ILE N . 15643 1 1311 . 1 1 313 313 GLY H H 1 8.348 0.01 . 1 . . . . 296 GLY HN . 15643 1 1312 . 1 1 313 313 GLY CA C 13 45.204 0.05 . 1 . . . . 296 GLY CA . 15643 1 1313 . 1 1 313 313 GLY N N 15 112.683 0.1 . 1 . . . . 296 GLY N . 15643 1 1314 . 1 1 317 317 PRO CA C 13 62.696 0.05 . 1 . . . . 300 PRO CA . 15643 1 1315 . 1 1 318 318 ARG H H 1 8.287 0.01 . 1 . . . . 301 ARG HN . 15643 1 1316 . 1 1 318 318 ARG CA C 13 53.527 0.05 . 1 . . . . 301 ARG CA . 15643 1 1317 . 1 1 318 318 ARG N N 15 123.117 0.1 . 1 . . . . 301 ARG N . 15643 1 1318 . 1 1 319 319 PRO CA C 13 63.285 0.05 . 1 . . . . 302 PRO CA . 15643 1 1319 . 1 1 320 320 TRP H H 1 7.407 0.01 . 1 . . . . 303 TRP HN . 15643 1 1320 . 1 1 320 320 TRP CA C 13 58.535 0.05 . 1 . . . . 303 TRP CA . 15643 1 1321 . 1 1 320 320 TRP N N 15 125.627 0.1 . 1 . . . . 303 TRP N . 15643 1 stop_ save_