data_16787 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16787 _Entry.Title ; NMR assignments for Thermus thermophilus Rieske protein at pH 5.2 at the reduced state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-23 _Entry.Accession_date 2010-03-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'same as title' _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 Kuang-Lung Hsueh . . . 16787 2 John Markley . . . 16787 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16787 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 16787 '15N chemical shifts' 131 16787 '1H chemical shifts' 131 16787 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 . . 2010-08-12 2010-03-23 update BMRB 'Complete entry citation' 16787 1 . . 2010-06-15 2010-03-23 original author 'Original release' 16787 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16804 'oxidized Rieske Protein' 16787 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 16787 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20496909 _Citation.Full_citation . _Citation.Title 'NMR investigations of the Rieske protein from Thermus thermophilus support a coupled proton and electron transfer mechanism.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 132 _Citation.Journal_issue 23 _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 7908 _Citation.Page_last 7918 _Citation.Year 2010 _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 Kuang-Lung Hsueh . . . 16787 1 2 William Westler . M. . 16787 1 3 John Markley . L. . 16787 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'iron sulfur cluster' 16787 1 paramagnetic 16787 1 'Rieske protein' 16787 1 'thermus thermophilus' 16787 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16787 _Assembly.ID 1 _Assembly.Name 'Thermus thermophilus Rieske protein (cofactor bound)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic yes _Assembly.Thiol_state . _Assembly.Molecular_mass 16508 _Assembly.Enzyme_commission_number . _Assembly.Details 'cluster bound to Cys151, Cys132, His134, His154. The molecular weight is apo-protein not for holoprotein.' _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 'Rieske protein' 1 $Rieske_protein A . yes native yes no . 'peptide chain' 'conformers present, but in low population. Primarily, the exchange between oxidized and reduced is 1:1 ratio.' 16787 1 2 '[2Fe-2S] cofactor' 2 $(2Fe-2S) B . no native no no . cofactor . 16787 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 1NYK . . . . . . 16787 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rieske_protein _Entity.Sf_category entity _Entity.Sf_framecode Rieske_protein _Entity.Entry_ID 16787 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rieske_protein _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 ; MTPEKEPLKPGDILVYAQGG GEPKPIRLEELKPGDPFVLA YPMDPKTKVVKSGEAKNTLL VARFDPEELAPEVAQHAAEG VVAYSAVCTHLGPIVSQFVA DEEAALCPCPGPVYDLRHGA QVIAGPPPRPVPQLPVRVED GVLVAAGEFLGPVGVQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'T46 is the first residue, and A201 is the last one.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'water soluble domain of the full length protein' _Entity.Mutation W142F _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 2015-11-25 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 BMRB 16804 . Rieske_protein . . . . . 100.00 157 98.73 98.73 4.73e-101 . . . . 16787 1 2 no PDB 1NYK . "Crystal Structure Of The Rieske Protein From Thermus Thermophilus" . . . . . 99.36 165 97.44 98.08 2.51e-99 . . . . 16787 1 3 no PDB 3FOU . "Low Ph Structure Of The Rieske Protein From Thermus Thermophilus At 2.1 A" . . . . . 99.36 156 97.44 98.08 7.76e-99 . . . . 16787 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 45 MET . 16787 1 2 46 THR . 16787 1 3 47 PRO . 16787 1 4 48 GLU . 16787 1 5 49 LYS . 16787 1 6 50 GLU . 16787 1 7 51 PRO . 16787 1 8 52 LEU . 16787 1 9 53 LYS . 16787 1 10 54 PRO . 16787 1 11 55 GLY . 16787 1 12 56 ASP . 16787 1 13 57 ILE . 16787 1 14 58 LEU . 16787 1 15 59 VAL . 16787 1 16 60 TYR . 16787 1 17 61 ALA . 16787 1 18 62 GLN . 16787 1 19 63 GLY . 16787 1 20 64 GLY . 16787 1 21 65 GLY . 16787 1 22 66 GLU . 16787 1 23 67 PRO . 16787 1 24 68 LYS . 16787 1 25 69 PRO . 16787 1 26 70 ILE . 16787 1 27 71 ARG . 16787 1 28 72 LEU . 16787 1 29 73 GLU . 16787 1 30 74 GLU . 16787 1 31 75 LEU . 16787 1 32 76 LYS . 16787 1 33 77 PRO . 16787 1 34 78 GLY . 16787 1 35 79 ASP . 16787 1 36 80 PRO . 16787 1 37 81 PHE . 16787 1 38 82 VAL . 16787 1 39 83 LEU . 16787 1 40 84 ALA . 16787 1 41 85 TYR . 16787 1 42 86 PRO . 16787 1 43 87 MET . 16787 1 44 88 ASP . 16787 1 45 89 PRO . 16787 1 46 90 LYS . 16787 1 47 91 THR . 16787 1 48 92 LYS . 16787 1 49 93 VAL . 16787 1 50 94 VAL . 16787 1 51 95 LYS . 16787 1 52 96 SER . 16787 1 53 97 GLY . 16787 1 54 98 GLU . 16787 1 55 99 ALA . 16787 1 56 100 LYS . 16787 1 57 101 ASN . 16787 1 58 102 THR . 16787 1 59 103 LEU . 16787 1 60 104 LEU . 16787 1 61 105 VAL . 16787 1 62 106 ALA . 16787 1 63 107 ARG . 16787 1 64 108 PHE . 16787 1 65 109 ASP . 16787 1 66 110 PRO . 16787 1 67 111 GLU . 16787 1 68 112 GLU . 16787 1 69 113 LEU . 16787 1 70 114 ALA . 16787 1 71 115 PRO . 16787 1 72 116 GLU . 16787 1 73 117 VAL . 16787 1 74 118 ALA . 16787 1 75 119 GLN . 16787 1 76 120 HIS . 16787 1 77 121 ALA . 16787 1 78 122 ALA . 16787 1 79 123 GLU . 16787 1 80 124 GLY . 16787 1 81 125 VAL . 16787 1 82 126 VAL . 16787 1 83 127 ALA . 16787 1 84 128 TYR . 16787 1 85 129 SER . 16787 1 86 130 ALA . 16787 1 87 131 VAL . 16787 1 88 132 CYS . 16787 1 89 133 THR . 16787 1 90 134 HIS . 16787 1 91 135 LEU . 16787 1 92 136 GLY . 16787 1 93 137 PRO . 16787 1 94 138 ILE . 16787 1 95 139 VAL . 16787 1 96 140 SER . 16787 1 97 141 GLN . 16787 1 98 142 PHE . 16787 1 99 143 VAL . 16787 1 100 144 ALA . 16787 1 101 145 ASP . 16787 1 102 146 GLU . 16787 1 103 147 GLU . 16787 1 104 148 ALA . 16787 1 105 149 ALA . 16787 1 106 150 LEU . 16787 1 107 151 CYS . 16787 1 108 152 PRO . 16787 1 109 153 CYS . 16787 1 110 154 PRO . 16787 1 111 155 GLY . 16787 1 112 156 PRO . 16787 1 113 157 VAL . 16787 1 114 158 TYR . 16787 1 115 159 ASP . 16787 1 116 160 LEU . 16787 1 117 161 ARG . 16787 1 118 162 HIS . 16787 1 119 163 GLY . 16787 1 120 164 ALA . 16787 1 121 165 GLN . 16787 1 122 166 VAL . 16787 1 123 167 ILE . 16787 1 124 168 ALA . 16787 1 125 169 GLY . 16787 1 126 170 PRO . 16787 1 127 171 PRO . 16787 1 128 172 PRO . 16787 1 129 173 ARG . 16787 1 130 174 PRO . 16787 1 131 175 VAL . 16787 1 132 176 PRO . 16787 1 133 177 GLN . 16787 1 134 178 LEU . 16787 1 135 179 PRO . 16787 1 136 180 VAL . 16787 1 137 181 ARG . 16787 1 138 182 VAL . 16787 1 139 183 GLU . 16787 1 140 184 ASP . 16787 1 141 185 GLY . 16787 1 142 186 VAL . 16787 1 143 187 LEU . 16787 1 144 188 VAL . 16787 1 145 189 ALA . 16787 1 146 190 ALA . 16787 1 147 191 GLY . 16787 1 148 192 GLU . 16787 1 149 193 PHE . 16787 1 150 194 LEU . 16787 1 151 195 GLY . 16787 1 152 196 PRO . 16787 1 153 197 VAL . 16787 1 154 198 GLY . 16787 1 155 199 VAL . 16787 1 156 200 GLN . 16787 1 157 201 ALA . 16787 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 16787 1 . THR 2 2 16787 1 . PRO 3 3 16787 1 . GLU 4 4 16787 1 . LYS 5 5 16787 1 . GLU 6 6 16787 1 . PRO 7 7 16787 1 . LEU 8 8 16787 1 . LYS 9 9 16787 1 . PRO 10 10 16787 1 . GLY 11 11 16787 1 . ASP 12 12 16787 1 . ILE 13 13 16787 1 . LEU 14 14 16787 1 . VAL 15 15 16787 1 . TYR 16 16 16787 1 . ALA 17 17 16787 1 . GLN 18 18 16787 1 . GLY 19 19 16787 1 . GLY 20 20 16787 1 . GLY 21 21 16787 1 . GLU 22 22 16787 1 . PRO 23 23 16787 1 . LYS 24 24 16787 1 . PRO 25 25 16787 1 . ILE 26 26 16787 1 . ARG 27 27 16787 1 . LEU 28 28 16787 1 . GLU 29 29 16787 1 . GLU 30 30 16787 1 . LEU 31 31 16787 1 . LYS 32 32 16787 1 . PRO 33 33 16787 1 . GLY 34 34 16787 1 . ASP 35 35 16787 1 . PRO 36 36 16787 1 . PHE 37 37 16787 1 . VAL 38 38 16787 1 . LEU 39 39 16787 1 . ALA 40 40 16787 1 . TYR 41 41 16787 1 . PRO 42 42 16787 1 . MET 43 43 16787 1 . ASP 44 44 16787 1 . PRO 45 45 16787 1 . LYS 46 46 16787 1 . THR 47 47 16787 1 . LYS 48 48 16787 1 . VAL 49 49 16787 1 . VAL 50 50 16787 1 . LYS 51 51 16787 1 . SER 52 52 16787 1 . GLY 53 53 16787 1 . GLU 54 54 16787 1 . ALA 55 55 16787 1 . LYS 56 56 16787 1 . ASN 57 57 16787 1 . THR 58 58 16787 1 . LEU 59 59 16787 1 . LEU 60 60 16787 1 . VAL 61 61 16787 1 . ALA 62 62 16787 1 . ARG 63 63 16787 1 . PHE 64 64 16787 1 . ASP 65 65 16787 1 . PRO 66 66 16787 1 . GLU 67 67 16787 1 . GLU 68 68 16787 1 . LEU 69 69 16787 1 . ALA 70 70 16787 1 . PRO 71 71 16787 1 . GLU 72 72 16787 1 . VAL 73 73 16787 1 . ALA 74 74 16787 1 . GLN 75 75 16787 1 . HIS 76 76 16787 1 . ALA 77 77 16787 1 . ALA 78 78 16787 1 . GLU 79 79 16787 1 . GLY 80 80 16787 1 . VAL 81 81 16787 1 . VAL 82 82 16787 1 . ALA 83 83 16787 1 . TYR 84 84 16787 1 . SER 85 85 16787 1 . ALA 86 86 16787 1 . VAL 87 87 16787 1 . CYS 88 88 16787 1 . THR 89 89 16787 1 . HIS 90 90 16787 1 . LEU 91 91 16787 1 . GLY 92 92 16787 1 . PRO 93 93 16787 1 . ILE 94 94 16787 1 . VAL 95 95 16787 1 . SER 96 96 16787 1 . GLN 97 97 16787 1 . PHE 98 98 16787 1 . VAL 99 99 16787 1 . ALA 100 100 16787 1 . ASP 101 101 16787 1 . GLU 102 102 16787 1 . GLU 103 103 16787 1 . ALA 104 104 16787 1 . ALA 105 105 16787 1 . LEU 106 106 16787 1 . CYS 107 107 16787 1 . PRO 108 108 16787 1 . CYS 109 109 16787 1 . PRO 110 110 16787 1 . GLY 111 111 16787 1 . PRO 112 112 16787 1 . VAL 113 113 16787 1 . TYR 114 114 16787 1 . ASP 115 115 16787 1 . LEU 116 116 16787 1 . ARG 117 117 16787 1 . HIS 118 118 16787 1 . GLY 119 119 16787 1 . ALA 120 120 16787 1 . GLN 121 121 16787 1 . VAL 122 122 16787 1 . ILE 123 123 16787 1 . ALA 124 124 16787 1 . GLY 125 125 16787 1 . PRO 126 126 16787 1 . PRO 127 127 16787 1 . PRO 128 128 16787 1 . ARG 129 129 16787 1 . PRO 130 130 16787 1 . VAL 131 131 16787 1 . PRO 132 132 16787 1 . GLN 133 133 16787 1 . LEU 134 134 16787 1 . PRO 135 135 16787 1 . VAL 136 136 16787 1 . ARG 137 137 16787 1 . VAL 138 138 16787 1 . GLU 139 139 16787 1 . ASP 140 140 16787 1 . GLY 141 141 16787 1 . VAL 142 142 16787 1 . LEU 143 143 16787 1 . VAL 144 144 16787 1 . ALA 145 145 16787 1 . ALA 146 146 16787 1 . GLY 147 147 16787 1 . GLU 148 148 16787 1 . PHE 149 149 16787 1 . LEU 150 150 16787 1 . GLY 151 151 16787 1 . PRO 152 152 16787 1 . VAL 153 153 16787 1 . GLY 154 154 16787 1 . VAL 155 155 16787 1 . GLN 156 156 16787 1 . ALA 157 157 16787 1 stop_ save_ save_(2Fe-2S) _Entity.Sf_category entity _Entity.Sf_framecode (2Fe-2S) _Entity.Entry_ID 16787 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name [2Fe-2S] _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID [2Fe-2S] _Entity.Nonpolymer_comp_label $chem_comp_(2Fe-2S) _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . [2Fe-2S] . 16787 2 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 16787 _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 $Rieske_protein . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus BL21(DE3)pLysS . . . . . . . . . . . . . . . . . . . . 16787 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 16787 _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 $Rieske_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . . . . pET17b . . . . . . 16787 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_(2Fe-2S) _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_(2Fe-2S) _Chem_comp.Entry_ID 16787 _Chem_comp.ID [2Fe-2S] _Chem_comp.Provenance . _Chem_comp.Name 'cofactor, two iron two sulfur cluster [2Fe-2S]' _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic yes _Chem_comp.Aromatic no _Chem_comp.Formula . _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2_reduced _Sample.Sf_category sample _Sample.Sf_framecode sample_2_reduced _Sample.Entry_ID 16787 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'reduced by dithionite' _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 'Thermus thermophilus Rieske protein' 'natural abundance' . . 1 $Rieske_protein . . 5 . . mM 0.1 . . . 16787 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 16787 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 16787 1 4 'boric acid' 'natural abundance' . . . . . . 20 . . mM 1 . . . 16787 1 5 dithionite 'natural abundance' . . . . . . 30 . . mM 3 . . . 16787 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16787 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16787 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 16787 _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' 0.4 0.1 M 16787 1 pH 5.2 0.02 pH 16787 1 pressure 1 . atm 16787 1 temperature 298 0.2 K 16787 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16787 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16787 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16787 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 16787 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16787 _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 . . . 16787 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 16787 _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_2_reduced isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16787 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_2_reduced isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16787 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_2_reduced isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16787 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 16787 _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 0.00 na indirect 0.251449530 . . . 1 $1 . . 1 $1 16787 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $1 . . 1 $1 16787 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $1 . . 1 $1 16787 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 16787 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16787 1 2 '3D CBCA(CO)NH' . . . 16787 1 3 '3D HNCACB' . . . 16787 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16787 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 2 2 THR H H 1 8.213 . . 1 . . . . 45 THR H . 16787 1 2 . 1 1 2 2 THR N N 15 117.933 . . 1 . . . . 45 THR N . 16787 1 3 . 1 1 3 3 PRO CA C 13 65.814 . . 1 . . . . 46 PRO CA . 16787 1 4 . 1 1 3 3 PRO CB C 13 32.373 . . 1 . . . . 46 PRO CB . 16787 1 5 . 1 1 3 3 PRO CG C 13 27.828 . . 1 . . . . 46 PRO CG . 16787 1 6 . 1 1 4 4 GLU H H 1 9.362 . . 1 . . . . 47 GLU H . 16787 1 7 . 1 1 4 4 GLU CA C 13 53.283 . . 1 . . . . 47 GLU CA . 16787 1 8 . 1 1 4 4 GLU CB C 13 28.376 . . 1 . . . . 47 GLU CB . 16787 1 9 . 1 1 4 4 GLU CG C 13 36.408 . . 1 . . . . 47 GLU CG . 16787 1 10 . 1 1 4 4 GLU N N 15 116.087 . . 1 . . . . 47 GLU N . 16787 1 11 . 1 1 5 5 LYS H H 1 7.726 . . 1 . . . . 48 LYS H . 16787 1 12 . 1 1 5 5 LYS CA C 13 55.416 . . 1 . . . . 48 LYS CA . 16787 1 13 . 1 1 5 5 LYS CB C 13 33.391 . . 1 . . . . 48 LYS CB . 16787 1 14 . 1 1 5 5 LYS CD C 13 29.476 . . 1 . . . . 48 LYS CD . 16787 1 15 . 1 1 5 5 LYS CG C 13 26.316 . . 1 . . . . 48 LYS CG . 16787 1 16 . 1 1 5 5 LYS N N 15 117.823 . . 1 . . . . 48 LYS N . 16787 1 17 . 1 1 6 6 GLU H H 1 6.958 . . 1 . . . . 49 GLU H . 16787 1 18 . 1 1 6 6 GLU CB C 13 29.635 . . 1 . . . . 49 GLU CB . 16787 1 19 . 1 1 6 6 GLU N N 15 120.535 . . 1 . . . . 49 GLU N . 16787 1 20 . 1 1 7 7 PRO CA C 13 61.200 . . 1 . . . . 50 PRO CA . 16787 1 21 . 1 1 7 7 PRO CB C 13 32.603 . . 1 . . . . 50 PRO CB . 16787 1 22 . 1 1 7 7 PRO CG C 13 26.371 . . 1 . . . . 50 PRO CG . 16787 1 23 . 1 1 8 8 LEU H H 1 7.712 . . 1 . . . . 51 LEU H . 16787 1 24 . 1 1 8 8 LEU CA C 13 57.222 . . 1 . . . . 51 LEU CA . 16787 1 25 . 1 1 8 8 LEU CB C 13 43.303 . . 1 . . . . 51 LEU CB . 16787 1 26 . 1 1 8 8 LEU CD1 C 13 27.601 . . 2 . . . . 51 LEU CD1 . 16787 1 27 . 1 1 8 8 LEU CG C 13 28.217 . . 1 . . . . 51 LEU CG . 16787 1 28 . 1 1 8 8 LEU N N 15 122.563 . . 1 . . . . 51 LEU N . 16787 1 29 . 1 1 9 9 LYS H H 1 8.998 . . 1 . . . . 52 LYS H . 16787 1 30 . 1 1 9 9 LYS CA C 13 52.702 . . 1 . . . . 52 LYS CA . 16787 1 31 . 1 1 9 9 LYS CB C 13 35.006 . . 1 . . . . 52 LYS CB . 16787 1 32 . 1 1 9 9 LYS N N 15 128.283 . . 1 . . . . 52 LYS N . 16787 1 33 . 1 1 10 10 PRO CA C 13 63.572 . . 1 . . . . 53 PRO CA . 16787 1 34 . 1 1 10 10 PRO CB C 13 31.352 . . 1 . . . . 53 PRO CB . 16787 1 35 . 1 1 10 10 PRO CG C 13 28.042 . . 1 . . . . 53 PRO CG . 16787 1 36 . 1 1 11 11 GLY H H 1 9.174 . . 1 . . . . 54 GLY H . 16787 1 37 . 1 1 11 11 GLY CA C 13 44.557 . . 1 . . . . 54 GLY CA . 16787 1 38 . 1 1 11 11 GLY N N 15 115.096 . . 1 . . . . 54 GLY N . 16787 1 39 . 1 1 12 12 ASP H H 1 7.800 . . 1 . . . . 55 ASP H . 16787 1 40 . 1 1 12 12 ASP CA C 13 55.328 . . 1 . . . . 55 ASP CA . 16787 1 41 . 1 1 12 12 ASP CB C 13 40.380 . . 1 . . . . 55 ASP CB . 16787 1 42 . 1 1 12 12 ASP N N 15 120.089 . . 1 . . . . 55 ASP N . 16787 1 43 . 1 1 13 13 ILE H H 1 8.396 . . 1 . . . . 56 ILE H . 16787 1 44 . 1 1 13 13 ILE CA C 13 62.211 . . 1 . . . . 56 ILE CA . 16787 1 45 . 1 1 13 13 ILE CB C 13 29.448 . . 1 . . . . 56 ILE CB . 16787 1 46 . 1 1 13 13 ILE CD1 C 13 13.222 . . 1 . . . . 56 ILE CD1 . 16787 1 47 . 1 1 13 13 ILE CG1 C 13 30.251 . . 1 . . . . 56 ILE CG1 . 16787 1 48 . 1 1 13 13 ILE CG2 C 13 21.018 . . 1 . . . . 56 ILE CG2 . 16787 1 49 . 1 1 13 13 ILE N N 15 122.441 . . 1 . . . . 56 ILE N . 16787 1 50 . 1 1 14 14 LEU H H 1 8.500 . . 1 . . . . 57 LEU H . 16787 1 51 . 1 1 14 14 LEU CA C 13 54.449 . . 1 . . . . 57 LEU CA . 16787 1 52 . 1 1 14 14 LEU CB C 13 40.859 . . 1 . . . . 57 LEU CB . 16787 1 53 . 1 1 14 14 LEU N N 15 126.320 . . 1 . . . . 57 LEU N . 16787 1 54 . 1 1 15 15 VAL H H 1 8.947 . . 1 . . . . 58 VAL H . 16787 1 55 . 1 1 15 15 VAL CA C 13 57.748 . . 1 . . . . 58 VAL CA . 16787 1 56 . 1 1 15 15 VAL CB C 13 34.330 . . 1 . . . . 58 VAL CB . 16787 1 57 . 1 1 15 15 VAL N N 15 114.874 . . 1 . . . . 58 VAL N . 16787 1 58 . 1 1 16 16 TYR H H 1 7.781 . . 1 . . . . 59 TYR H . 16787 1 59 . 1 1 16 16 TYR CA C 13 61.109 . . 1 . . . . 59 TYR CA . 16787 1 60 . 1 1 16 16 TYR CB C 13 38.678 . . 1 . . . . 59 TYR CB . 16787 1 61 . 1 1 16 16 TYR N N 15 118.944 . . 1 . . . . 59 TYR N . 16787 1 62 . 1 1 17 17 ALA H H 1 8.547 . . 1 . . . . 60 ALA H . 16787 1 63 . 1 1 17 17 ALA CA C 13 53.187 . . 1 . . . . 60 ALA CA . 16787 1 64 . 1 1 17 17 ALA CB C 13 18.714 . . 1 . . . . 60 ALA CB . 16787 1 65 . 1 1 17 17 ALA N N 15 125.063 . . 1 . . . . 60 ALA N . 16787 1 66 . 1 1 18 18 GLN H H 1 8.379 . . 1 . . . . 61 GLN H . 16787 1 67 . 1 1 18 18 GLN CA C 13 55.356 . . 1 . . . . 61 GLN CA . 16787 1 68 . 1 1 18 18 GLN CB C 13 30.003 . . 1 . . . . 61 GLN CB . 16787 1 69 . 1 1 18 18 GLN CG C 13 33.870 . . 1 . . . . 61 GLN CG . 16787 1 70 . 1 1 18 18 GLN N N 15 118.453 . . 1 . . . . 61 GLN N . 16787 1 71 . 1 1 19 19 GLY H H 1 8.461 . . 1 . . . . 62 GLY H . 16787 1 72 . 1 1 19 19 GLY CA C 13 45.770 . . 1 . . . . 62 GLY CA . 16787 1 73 . 1 1 19 19 GLY N N 15 110.268 . . 1 . . . . 62 GLY N . 16787 1 74 . 1 1 20 20 GLY H H 1 7.710 . . 1 . . . . 63 GLY H . 16787 1 75 . 1 1 20 20 GLY CA C 13 44.538 . . 1 . . . . 63 GLY CA . 16787 1 76 . 1 1 20 20 GLY N N 15 108.699 . . 1 . . . . 63 GLY N . 16787 1 77 . 1 1 21 21 GLY H H 1 8.211 . . 1 . . . . 64 GLY H . 16787 1 78 . 1 1 21 21 GLY CA C 13 43.342 . . 1 . . . . 64 GLY CA . 16787 1 79 . 1 1 21 21 GLY N N 15 106.044 . . 1 . . . . 64 GLY N . 16787 1 80 . 1 1 22 22 GLU H H 1 8.648 . . 1 . . . . 65 GLU H . 16787 1 81 . 1 1 22 22 GLU CB C 13 30.574 . . 1 . . . . 65 GLU CB . 16787 1 82 . 1 1 22 22 GLU N N 15 120.546 . . 1 . . . . 65 GLU N . 16787 1 83 . 1 1 23 23 PRO CA C 13 58.248 . . 1 . . . . 66 PRO CA . 16787 1 84 . 1 1 24 24 LYS H H 1 9.747 . . 1 . . . . 67 LYS H . 16787 1 85 . 1 1 24 24 LYS N N 15 127.071 . . 1 . . . . 67 LYS N . 16787 1 86 . 1 1 25 25 PRO CA C 13 63.066 . . 1 . . . . 68 PRO CA . 16787 1 87 . 1 1 25 25 PRO CB C 13 33.667 . . 1 . . . . 68 PRO CB . 16787 1 88 . 1 1 26 26 ILE H H 1 9.750 . . 1 . . . . 69 ILE H . 16787 1 89 . 1 1 26 26 ILE CA C 13 62.694 . . 1 . . . . 69 ILE CA . 16787 1 90 . 1 1 26 26 ILE CB C 13 37.598 . . 1 . . . . 69 ILE CB . 16787 1 91 . 1 1 26 26 ILE CD1 C 13 14.677 . . 1 . . . . 69 ILE CD1 . 16787 1 92 . 1 1 26 26 ILE CG1 C 13 26.086 . . 1 . . . . 69 ILE CG1 . 16787 1 93 . 1 1 26 26 ILE CG2 C 13 17.453 . . 1 . . . . 69 ILE CG2 . 16787 1 94 . 1 1 26 26 ILE N N 15 126.946 . . 1 . . . . 69 ILE N . 16787 1 95 . 1 1 27 27 ARG H H 1 7.573 . . 1 . . . . 70 ARG H . 16787 1 96 . 1 1 27 27 ARG CA C 13 54.047 . . 1 . . . . 70 ARG CA . 16787 1 97 . 1 1 27 27 ARG CB C 13 31.415 . . 1 . . . . 70 ARG CB . 16787 1 98 . 1 1 27 27 ARG CD C 13 45.244 . . 1 . . . . 70 ARG CD . 16787 1 99 . 1 1 27 27 ARG N N 15 126.149 . . 1 . . . . 70 ARG N . 16787 1 100 . 1 1 28 28 LEU H H 1 7.830 . . 1 . . . . 71 LEU H . 16787 1 101 . 1 1 28 28 LEU CA C 13 58.774 . . 1 . . . . 71 LEU CA . 16787 1 102 . 1 1 28 28 LEU CB C 13 42.473 . . 1 . . . . 71 LEU CB . 16787 1 103 . 1 1 28 28 LEU CG C 13 29.134 . . 1 . . . . 71 LEU CG . 16787 1 104 . 1 1 28 28 LEU N N 15 123.522 . . 1 . . . . 71 LEU N . 16787 1 105 . 1 1 29 29 GLU H H 1 8.606 . . 1 . . . . 72 GLU H . 16787 1 106 . 1 1 29 29 GLU CA C 13 57.450 . . 1 . . . . 72 GLU CA . 16787 1 107 . 1 1 29 29 GLU CB C 13 28.620 . . 1 . . . . 72 GLU CB . 16787 1 108 . 1 1 29 29 GLU CG C 13 35.428 . . 1 . . . . 72 GLU CG . 16787 1 109 . 1 1 29 29 GLU N N 15 110.768 . . 1 . . . . 72 GLU N . 16787 1 110 . 1 1 30 30 GLU H H 1 7.614 . . 1 . . . . 73 GLU H . 16787 1 111 . 1 1 30 30 GLU CA C 13 57.540 . . 1 . . . . 73 GLU CA . 16787 1 112 . 1 1 30 30 GLU CB C 13 31.370 . . 1 . . . . 73 GLU CB . 16787 1 113 . 1 1 30 30 GLU N N 15 118.456 . . 1 . . . . 73 GLU N . 16787 1 114 . 1 1 31 31 LEU H H 1 7.407 . . 1 . . . . 74 LEU H . 16787 1 115 . 1 1 31 31 LEU CA C 13 53.235 . . 1 . . . . 74 LEU CA . 16787 1 116 . 1 1 31 31 LEU CB C 13 32.861 . . 1 . . . . 74 LEU CB . 16787 1 117 . 1 1 31 31 LEU N N 15 118.486 . . 1 . . . . 74 LEU N . 16787 1 118 . 1 1 32 32 LYS H H 1 8.789 . . 1 . . . . 75 LYS H . 16787 1 119 . 1 1 32 32 LYS N N 15 125.090 . . 1 . . . . 75 LYS N . 16787 1 120 . 1 1 34 34 GLY H H 1 8.076 . . 1 . . . . 77 GLY H . 16787 1 121 . 1 1 34 34 GLY CA C 13 45.483 . . 1 . . . . 77 GLY CA . 16787 1 122 . 1 1 34 34 GLY N N 15 101.724 . . 1 . . . . 77 GLY N . 16787 1 123 . 1 1 35 35 ASP H H 1 7.307 . . 1 . . . . 78 ASP H . 16787 1 124 . 1 1 35 35 ASP N N 15 121.385 . . 1 . . . . 78 ASP N . 16787 1 125 . 1 1 36 36 PRO CA C 13 52.721 . . 1 . . . . 79 PRO CA . 16787 1 126 . 1 1 36 36 PRO CB C 13 33.236 . . 1 . . . . 79 PRO CB . 16787 1 127 . 1 1 36 36 PRO CD C 13 55.286 . . 1 . . . . 79 PRO CD . 16787 1 128 . 1 1 36 36 PRO CG C 13 29.044 . . 1 . . . . 79 PRO CG . 16787 1 129 . 1 1 37 37 PHE H H 1 8.354 . . 1 . . . . 80 PHE H . 16787 1 130 . 1 1 37 37 PHE CA C 13 55.484 . . 1 . . . . 80 PHE CA . 16787 1 131 . 1 1 37 37 PHE CB C 13 40.215 . . 1 . . . . 80 PHE CB . 16787 1 132 . 1 1 37 37 PHE N N 15 123.518 . . 1 . . . . 80 PHE N . 16787 1 133 . 1 1 38 38 VAL H H 1 9.300 . . 1 . . . . 81 VAL H . 16787 1 134 . 1 1 38 38 VAL CA C 13 59.860 . . 1 . . . . 81 VAL CA . 16787 1 135 . 1 1 38 38 VAL CB C 13 34.262 . . 1 . . . . 81 VAL CB . 16787 1 136 . 1 1 38 38 VAL N N 15 117.002 . . 1 . . . . 81 VAL N . 16787 1 137 . 1 1 39 39 LEU H H 1 8.913 . . 1 . . . . 82 LEU H . 16787 1 138 . 1 1 39 39 LEU CA C 13 53.832 . . 1 . . . . 82 LEU CA . 16787 1 139 . 1 1 39 39 LEU CB C 13 43.528 . . 1 . . . . 82 LEU CB . 16787 1 140 . 1 1 39 39 LEU CD1 C 13 25.763 . . 2 . . . . 82 LEU CD1 . 16787 1 141 . 1 1 39 39 LEU N N 15 124.546 . . 1 . . . . 82 LEU N . 16787 1 142 . 1 1 40 40 ALA H H 1 8.905 . . 1 . . . . 83 ALA H . 16787 1 143 . 1 1 40 40 ALA CA C 13 50.286 . . 1 . . . . 83 ALA CA . 16787 1 144 . 1 1 40 40 ALA CB C 13 26.088 . . 1 . . . . 83 ALA CB . 16787 1 145 . 1 1 40 40 ALA N N 15 125.304 . . 1 . . . . 83 ALA N . 16787 1 146 . 1 1 41 41 TYR H H 1 8.463 . . 1 . . . . 84 TYR H . 16787 1 147 . 1 1 41 41 TYR N N 15 113.400 . . 1 . . . . 84 TYR N . 16787 1 148 . 1 1 42 42 PRO CA C 13 61.656 . . 1 . . . . 85 PRO CA . 16787 1 149 . 1 1 42 42 PRO CB C 13 32.353 . . 1 . . . . 85 PRO CB . 16787 1 150 . 1 1 42 42 PRO CG C 13 26.842 . . 1 . . . . 85 PRO CG . 16787 1 151 . 1 1 43 43 MET H H 1 9.862 . . 1 . . . . 86 MET H . 16787 1 152 . 1 1 43 43 MET CA C 13 53.021 . . 1 . . . . 86 MET CA . 16787 1 153 . 1 1 43 43 MET CB C 13 37.471 . . 1 . . . . 86 MET CB . 16787 1 154 . 1 1 43 43 MET CG C 13 30.508 . . 1 . . . . 86 MET CG . 16787 1 155 . 1 1 43 43 MET N N 15 123.536 . . 1 . . . . 86 MET N . 16787 1 156 . 1 1 44 44 ASP H H 1 8.124 . . 1 . . . . 87 ASP H . 16787 1 157 . 1 1 44 44 ASP N N 15 127.789 . . 1 . . . . 87 ASP N . 16787 1 158 . 1 1 45 45 PRO CA C 13 64.665 . . 1 . . . . 88 PRO CA . 16787 1 159 . 1 1 45 45 PRO CB C 13 32.397 . . 1 . . . . 88 PRO CB . 16787 1 160 . 1 1 45 45 PRO CD C 13 45.383 . . 1 . . . . 88 PRO CD . 16787 1 161 . 1 1 45 45 PRO CG C 13 27.688 . . 1 . . . . 88 PRO CG . 16787 1 162 . 1 1 46 46 LYS H H 1 8.554 . . 1 . . . . 89 LYS H . 16787 1 163 . 1 1 46 46 LYS CA C 13 57.958 . . 1 . . . . 89 LYS CA . 16787 1 164 . 1 1 46 46 LYS CB C 13 33.230 . . 1 . . . . 89 LYS CB . 16787 1 165 . 1 1 46 46 LYS CD C 13 28.793 . . 1 . . . . 89 LYS CD . 16787 1 166 . 1 1 46 46 LYS CE C 13 42.203 . . 1 . . . . 89 LYS CE . 16787 1 167 . 1 1 46 46 LYS CG C 13 25.164 . . 1 . . . . 89 LYS CG . 16787 1 168 . 1 1 46 46 LYS N N 15 118.096 . . 1 . . . . 89 LYS N . 16787 1 169 . 1 1 47 47 THR H H 1 8.419 . . 1 . . . . 90 THR H . 16787 1 170 . 1 1 47 47 THR CA C 13 62.157 . . 1 . . . . 90 THR CA . 16787 1 171 . 1 1 47 47 THR CB C 13 70.176 . . 1 . . . . 90 THR CB . 16787 1 172 . 1 1 47 47 THR N N 15 109.226 . . 1 . . . . 90 THR N . 16787 1 173 . 1 1 48 48 LYS H H 1 7.960 . . 1 . . . . 91 LYS H . 16787 1 174 . 1 1 48 48 LYS CA C 13 57.254 . . 1 . . . . 91 LYS CA . 16787 1 175 . 1 1 48 48 LYS CB C 13 28.429 . . 1 . . . . 91 LYS CB . 16787 1 176 . 1 1 48 48 LYS CG C 13 25.010 . . 1 . . . . 91 LYS CG . 16787 1 177 . 1 1 48 48 LYS N N 15 114.602 . . 1 . . . . 91 LYS N . 16787 1 178 . 1 1 49 49 VAL H H 1 7.268 . . 1 . . . . 92 VAL H . 16787 1 179 . 1 1 49 49 VAL CA C 13 58.624 . . 1 . . . . 92 VAL CA . 16787 1 180 . 1 1 49 49 VAL CB C 13 32.784 . . 1 . . . . 92 VAL CB . 16787 1 181 . 1 1 49 49 VAL CG1 C 13 20.908 . . 2 . . . . 92 VAL CG1 . 16787 1 182 . 1 1 49 49 VAL CG2 C 13 21.988 . . 2 . . . . 92 VAL CG2 . 16787 1 183 . 1 1 49 49 VAL N N 15 117.908 . . 1 . . . . 92 VAL N . 16787 1 184 . 1 1 50 50 VAL H H 1 8.666 . . 1 . . . . 93 VAL H . 16787 1 185 . 1 1 50 50 VAL CA C 13 63.065 . . 1 . . . . 93 VAL CA . 16787 1 186 . 1 1 50 50 VAL CB C 13 31.682 . . 1 . . . . 93 VAL CB . 16787 1 187 . 1 1 50 50 VAL N N 15 130.078 . . 1 . . . . 93 VAL N . 16787 1 188 . 1 1 51 51 LYS H H 1 8.890 . . 1 . . . . 94 LYS H . 16787 1 189 . 1 1 51 51 LYS CA C 13 56.007 . . 1 . . . . 94 LYS CA . 16787 1 190 . 1 1 51 51 LYS CB C 13 30.192 . . 1 . . . . 94 LYS CB . 16787 1 191 . 1 1 51 51 LYS N N 15 132.810 . . 1 . . . . 94 LYS N . 16787 1 192 . 1 1 52 52 SER H H 1 8.034 . . 1 . . . . 95 SER H . 16787 1 193 . 1 1 52 52 SER CA C 13 57.543 . . 1 . . . . 95 SER CA . 16787 1 194 . 1 1 52 52 SER CB C 13 62.657 . . 1 . . . . 95 SER CB . 16787 1 195 . 1 1 52 52 SER N N 15 110.792 . . 1 . . . . 95 SER N . 16787 1 196 . 1 1 53 53 GLY H H 1 8.570 . . 1 . . . . 96 GLY H . 16787 1 197 . 1 1 53 53 GLY CA C 13 45.922 . . 1 . . . . 96 GLY CA . 16787 1 198 . 1 1 53 53 GLY N N 15 109.860 . . 1 . . . . 96 GLY N . 16787 1 199 . 1 1 54 54 GLU H H 1 6.526 . . 1 . . . . 97 GLU H . 16787 1 200 . 1 1 54 54 GLU CA C 13 52.889 . . 1 . . . . 97 GLU CA . 16787 1 201 . 1 1 54 54 GLU CB C 13 31.183 . . 1 . . . . 97 GLU CB . 16787 1 202 . 1 1 54 54 GLU N N 15 120.886 . . 1 . . . . 97 GLU N . 16787 1 203 . 1 1 55 55 ALA H H 1 9.108 . . 1 . . . . 98 ALA H . 16787 1 204 . 1 1 55 55 ALA CA C 13 54.968 . . 1 . . . . 98 ALA CA . 16787 1 205 . 1 1 55 55 ALA CB C 13 19.083 . . 1 . . . . 98 ALA CB . 16787 1 206 . 1 1 55 55 ALA N N 15 131.299 . . 1 . . . . 98 ALA N . 16787 1 207 . 1 1 56 56 LYS H H 1 10.146 . . 1 . . . . 99 LYS H . 16787 1 208 . 1 1 56 56 LYS CA C 13 59.255 . . 1 . . . . 99 LYS CA . 16787 1 209 . 1 1 56 56 LYS CB C 13 30.834 . . 1 . . . . 99 LYS CB . 16787 1 210 . 1 1 56 56 LYS CD C 13 27.186 . . 1 . . . . 99 LYS CD . 16787 1 211 . 1 1 56 56 LYS CE C 13 43.273 . . 1 . . . . 99 LYS CE . 16787 1 212 . 1 1 56 56 LYS N N 15 117.811 . . 1 . . . . 99 LYS N . 16787 1 213 . 1 1 57 57 ASN H H 1 8.522 . . 1 . . . . 100 ASN H . 16787 1 214 . 1 1 57 57 ASN CA C 13 52.631 . . 1 . . . . 100 ASN CA . 16787 1 215 . 1 1 57 57 ASN CB C 13 38.842 . . 1 . . . . 100 ASN CB . 16787 1 216 . 1 1 57 57 ASN N N 15 119.159 . . 1 . . . . 100 ASN N . 16787 1 217 . 1 1 58 58 THR H H 1 7.613 . . 1 . . . . 101 THR H . 16787 1 218 . 1 1 58 58 THR CA C 13 65.640 . . 1 . . . . 101 THR CA . 16787 1 219 . 1 1 58 58 THR CB C 13 68.689 . . 1 . . . . 101 THR CB . 16787 1 220 . 1 1 58 58 THR N N 15 113.200 . . 1 . . . . 101 THR N . 16787 1 221 . 1 1 59 59 LEU H H 1 9.250 . . 1 . . . . 102 LEU H . 16787 1 222 . 1 1 59 59 LEU CA C 13 53.644 . . 1 . . . . 102 LEU CA . 16787 1 223 . 1 1 59 59 LEU CB C 13 46.190 . . 1 . . . . 102 LEU CB . 16787 1 224 . 1 1 59 59 LEU N N 15 131.135 . . 1 . . . . 102 LEU N . 16787 1 225 . 1 1 60 60 LEU H H 1 9.181 . . 1 . . . . 103 LEU H . 16787 1 226 . 1 1 60 60 LEU CA C 13 53.761 . . 1 . . . . 103 LEU CA . 16787 1 227 . 1 1 60 60 LEU CB C 13 44.986 . . 1 . . . . 103 LEU CB . 16787 1 228 . 1 1 60 60 LEU N N 15 118.629 . . 1 . . . . 103 LEU N . 16787 1 229 . 1 1 61 61 VAL H H 1 8.909 . . 1 . . . . 104 VAL H . 16787 1 230 . 1 1 61 61 VAL CA C 13 61.252 . . 1 . . . . 104 VAL CA . 16787 1 231 . 1 1 61 61 VAL CB C 13 34.320 . . 1 . . . . 104 VAL CB . 16787 1 232 . 1 1 61 61 VAL CG1 C 13 19.314 . . 2 . . . . 104 VAL CG1 . 16787 1 233 . 1 1 61 61 VAL CG2 C 13 21.847 . . 2 . . . . 104 VAL CG2 . 16787 1 234 . 1 1 61 61 VAL N N 15 122.441 . . 1 . . . . 104 VAL N . 16787 1 235 . 1 1 62 62 ALA H H 1 8.920 . . 1 . . . . 105 ALA H . 16787 1 236 . 1 1 62 62 ALA CA C 13 50.266 . . 1 . . . . 105 ALA CA . 16787 1 237 . 1 1 62 62 ALA CB C 13 24.569 . . 1 . . . . 105 ALA CB . 16787 1 238 . 1 1 62 62 ALA N N 15 128.181 . . 1 . . . . 105 ALA N . 16787 1 239 . 1 1 63 63 ARG H H 1 8.631 . . 1 . . . . 106 ARG H . 16787 1 240 . 1 1 63 63 ARG CA C 13 54.230 . . 1 . . . . 106 ARG CA . 16787 1 241 . 1 1 63 63 ARG CB C 13 31.368 . . 1 . . . . 106 ARG CB . 16787 1 242 . 1 1 63 63 ARG CD C 13 45.269 . . 1 . . . . 106 ARG CD . 16787 1 243 . 1 1 63 63 ARG CG C 13 31.433 . . 1 . . . . 106 ARG CG . 16787 1 244 . 1 1 63 63 ARG N N 15 119.495 . . 1 . . . . 106 ARG N . 16787 1 245 . 1 1 64 64 PHE H H 1 7.943 . . 1 . . . . 107 PHE H . 16787 1 246 . 1 1 64 64 PHE CA C 13 56.577 . . 1 . . . . 107 PHE CA . 16787 1 247 . 1 1 64 64 PHE CB C 13 43.139 . . 1 . . . . 107 PHE CB . 16787 1 248 . 1 1 64 64 PHE N N 15 124.062 . . 1 . . . . 107 PHE N . 16787 1 249 . 1 1 65 65 ASP H H 1 9.258 . . 1 . . . . 108 ASP H . 16787 1 250 . 1 1 65 65 ASP CA C 13 57.603 . . 1 . . . . 108 ASP CA . 16787 1 251 . 1 1 65 65 ASP N N 15 123.152 . . 1 . . . . 108 ASP N . 16787 1 252 . 1 1 66 66 PRO CA C 13 65.744 . . 1 . . . . 109 PRO CA . 16787 1 253 . 1 1 66 66 PRO CB C 13 32.084 . . 1 . . . . 109 PRO CB . 16787 1 254 . 1 1 66 66 PRO CG C 13 27.752 . . 1 . . . . 109 PRO CG . 16787 1 255 . 1 1 67 67 GLU H H 1 8.738 . . 1 . . . . 110 GLU H . 16787 1 256 . 1 1 67 67 GLU CA C 13 57.933 . . 1 . . . . 110 GLU CA . 16787 1 257 . 1 1 67 67 GLU CB C 13 28.909 . . 1 . . . . 110 GLU CB . 16787 1 258 . 1 1 67 67 GLU CG C 13 36.051 . . 1 . . . . 110 GLU CG . 16787 1 259 . 1 1 67 67 GLU N N 15 114.705 . . 1 . . . . 110 GLU N . 16787 1 260 . 1 1 68 68 GLU H H 1 8.145 . . 1 . . . . 111 GLU H . 16787 1 261 . 1 1 68 68 GLU CA C 13 56.250 . . 1 . . . . 111 GLU CA . 16787 1 262 . 1 1 68 68 GLU CB C 13 30.816 . . 1 . . . . 111 GLU CB . 16787 1 263 . 1 1 68 68 GLU CG C 13 36.697 . . 1 . . . . 111 GLU CG . 16787 1 264 . 1 1 68 68 GLU N N 15 116.430 . . 1 . . . . 111 GLU N . 16787 1 265 . 1 1 69 69 LEU H H 1 7.002 . . 1 . . . . 112 LEU H . 16787 1 266 . 1 1 69 69 LEU CA C 13 53.280 . . 1 . . . . 112 LEU CA . 16787 1 267 . 1 1 69 69 LEU CB C 13 43.411 . . 1 . . . . 112 LEU CB . 16787 1 268 . 1 1 69 69 LEU N N 15 116.888 . . 1 . . . . 112 LEU N . 16787 1 269 . 1 1 70 70 ALA H H 1 7.981 . . 1 . . . . 113 ALA H . 16787 1 270 . 1 1 70 70 ALA N N 15 125.495 . . 1 . . . . 113 ALA N . 16787 1 271 . 1 1 71 71 PRO CA C 13 66.251 . . 1 . . . . 114 PRO CA . 16787 1 272 . 1 1 71 71 PRO CB C 13 31.888 . . 1 . . . . 114 PRO CB . 16787 1 273 . 1 1 71 71 PRO CG C 13 27.794 . . 1 . . . . 114 PRO CG . 16787 1 274 . 1 1 72 72 GLU H H 1 9.545 . . 1 . . . . 115 GLU H . 16787 1 275 . 1 1 72 72 GLU CA C 13 59.346 . . 1 . . . . 115 GLU CA . 16787 1 276 . 1 1 72 72 GLU CB C 13 28.386 . . 1 . . . . 115 GLU CB . 16787 1 277 . 1 1 72 72 GLU CG C 13 36.153 . . 1 . . . . 115 GLU CG . 16787 1 278 . 1 1 72 72 GLU N N 15 116.481 . . 1 . . . . 115 GLU N . 16787 1 279 . 1 1 73 73 VAL H H 1 7.175 . . 1 . . . . 116 VAL H . 16787 1 280 . 1 1 73 73 VAL CA C 13 63.495 . . 1 . . . . 116 VAL CA . 16787 1 281 . 1 1 73 73 VAL CB C 13 32.863 . . 1 . . . . 116 VAL CB . 16787 1 282 . 1 1 73 73 VAL CG1 C 13 22.474 . . 2 . . . . 116 VAL CG1 . 16787 1 283 . 1 1 73 73 VAL N N 15 119.810 . . 1 . . . . 116 VAL N . 16787 1 284 . 1 1 74 74 ALA H H 1 8.530 . . 1 . . . . 117 ALA H . 16787 1 285 . 1 1 74 74 ALA CA C 13 54.441 . . 1 . . . . 117 ALA CA . 16787 1 286 . 1 1 74 74 ALA CB C 13 18.369 . . 1 . . . . 117 ALA CB . 16787 1 287 . 1 1 74 74 ALA N N 15 122.527 . . 1 . . . . 117 ALA N . 16787 1 288 . 1 1 75 75 GLN H H 1 7.425 . . 1 . . . . 118 GLN H . 16787 1 289 . 1 1 75 75 GLN CA C 13 57.773 . . 1 . . . . 118 GLN CA . 16787 1 290 . 1 1 75 75 GLN CB C 13 28.458 . . 1 . . . . 118 GLN CB . 16787 1 291 . 1 1 75 75 GLN CG C 13 33.234 . . 1 . . . . 118 GLN CG . 16787 1 292 . 1 1 75 75 GLN N N 15 114.276 . . 1 . . . . 118 GLN N . 16787 1 293 . 1 1 76 76 HIS H H 1 7.204 . . 1 . . . . 119 HIS H . 16787 1 294 . 1 1 76 76 HIS CA C 13 53.467 . . 1 . . . . 119 HIS CA . 16787 1 295 . 1 1 76 76 HIS CB C 13 28.975 . . 1 . . . . 119 HIS CB . 16787 1 296 . 1 1 76 76 HIS N N 15 113.177 . . 1 . . . . 119 HIS N . 16787 1 297 . 1 1 77 77 ALA H H 1 7.493 . . 1 . . . . 120 ALA H . 16787 1 298 . 1 1 77 77 ALA CA C 13 50.562 . . 1 . . . . 120 ALA CA . 16787 1 299 . 1 1 77 77 ALA CB C 13 22.953 . . 1 . . . . 120 ALA CB . 16787 1 300 . 1 1 77 77 ALA N N 15 125.712 . . 1 . . . . 120 ALA N . 16787 1 301 . 1 1 78 78 ALA H H 1 8.285 . . 1 . . . . 121 ALA H . 16787 1 302 . 1 1 78 78 ALA CA C 13 50.873 . . 1 . . . . 121 ALA CA . 16787 1 303 . 1 1 78 78 ALA CB C 13 20.760 . . 1 . . . . 121 ALA CB . 16787 1 304 . 1 1 78 78 ALA N N 15 122.340 . . 1 . . . . 121 ALA N . 16787 1 305 . 1 1 79 79 GLU H H 1 9.082 . . 1 . . . . 122 GLU H . 16787 1 306 . 1 1 79 79 GLU CA C 13 56.672 . . 1 . . . . 122 GLU CA . 16787 1 307 . 1 1 79 79 GLU CB C 13 26.996 . . 1 . . . . 122 GLU CB . 16787 1 308 . 1 1 79 79 GLU CG C 13 35.203 . . 1 . . . . 122 GLU CG . 16787 1 309 . 1 1 79 79 GLU N N 15 120.950 . . 1 . . . . 122 GLU N . 16787 1 310 . 1 1 80 80 GLY H H 1 8.455 . . 1 . . . . 123 GLY H . 16787 1 311 . 1 1 80 80 GLY CA C 13 45.079 . . 1 . . . . 123 GLY CA . 16787 1 312 . 1 1 80 80 GLY N N 15 103.287 . . 1 . . . . 123 GLY N . 16787 1 313 . 1 1 81 81 VAL H H 1 8.236 . . 1 . . . . 124 VAL H . 16787 1 314 . 1 1 81 81 VAL CA C 13 62.665 . . 1 . . . . 124 VAL CA . 16787 1 315 . 1 1 81 81 VAL CB C 13 30.832 . . 1 . . . . 124 VAL CB . 16787 1 316 . 1 1 81 81 VAL CG1 C 13 22.906 . . 2 . . . . 124 VAL CG1 . 16787 1 317 . 1 1 81 81 VAL N N 15 121.621 . . 1 . . . . 124 VAL N . 16787 1 318 . 1 1 82 82 VAL H H 1 8.921 . . 1 . . . . 125 VAL H . 16787 1 319 . 1 1 82 82 VAL CA C 13 58.048 . . 1 . . . . 125 VAL CA . 16787 1 320 . 1 1 82 82 VAL CB C 13 34.931 . . 1 . . . . 125 VAL CB . 16787 1 321 . 1 1 82 82 VAL CG2 C 13 19.710 . . 2 . . . . 125 VAL CG2 . 16787 1 322 . 1 1 82 82 VAL N N 15 119.029 . . 1 . . . . 125 VAL N . 16787 1 323 . 1 1 83 83 ALA H H 1 7.522 . . 1 . . . . 126 ALA H . 16787 1 324 . 1 1 83 83 ALA CA C 13 49.221 . . 1 . . . . 126 ALA CA . 16787 1 325 . 1 1 83 83 ALA CB C 13 23.240 . . 1 . . . . 126 ALA CB . 16787 1 326 . 1 1 83 83 ALA N N 15 121.456 . . 1 . . . . 126 ALA N . 16787 1 327 . 1 1 84 84 TYR H H 1 8.964 . . 1 . . . . 127 TYR H . 16787 1 328 . 1 1 84 84 TYR CA C 13 55.740 . . 1 . . . . 127 TYR CA . 16787 1 329 . 1 1 84 84 TYR CB C 13 43.902 . . 1 . . . . 127 TYR CB . 16787 1 330 . 1 1 84 84 TYR N N 15 116.690 . . 1 . . . . 127 TYR N . 16787 1 331 . 1 1 85 85 SER H H 1 8.434 . . 1 . . . . 128 SER H . 16787 1 332 . 1 1 85 85 SER CB C 13 63.012 . . 1 . . . . 128 SER CB . 16787 1 333 . 1 1 85 85 SER N N 15 112.225 . . 1 . . . . 128 SER N . 16787 1 334 . 1 1 86 86 ALA H H 1 7.740 . . 1 . . . . 129 ALA H . 16787 1 335 . 1 1 86 86 ALA CA C 13 49.832 . . 1 . . . . 129 ALA CA . 16787 1 336 . 1 1 86 86 ALA CB C 13 19.747 . . 1 . . . . 129 ALA CB . 16787 1 337 . 1 1 86 86 ALA N N 15 122.514 . . 1 . . . . 129 ALA N . 16787 1 338 . 1 1 87 87 VAL H H 1 7.497 . . 1 . . . . 130 VAL H . 16787 1 339 . 1 1 87 87 VAL CA C 13 62.982 . . 1 . . . . 130 VAL CA . 16787 1 340 . 1 1 87 87 VAL CB C 13 31.939 . . 1 . . . . 130 VAL CB . 16787 1 341 . 1 1 87 87 VAL N N 15 119.852 . . 1 . . . . 130 VAL N . 16787 1 342 . 1 1 88 88 CYS H H 1 8.513 . . 1 . . . . 131 CYS H . 16787 1 343 . 1 1 88 88 CYS N N 15 109.320 . . 1 . . . . 131 CYS N . 16787 1 344 . 1 1 89 89 THR H H 1 8.156 . . 1 . . . . 132 THR H . 16787 1 345 . 1 1 89 89 THR N N 15 123.702 . . 1 . . . . 132 THR N . 16787 1 346 . 1 1 92 92 GLY H H 1 9.277 . . 1 . . . . 135 GLY H . 16787 1 347 . 1 1 92 92 GLY N N 15 110.179 . . 1 . . . . 135 GLY N . 16787 1 348 . 1 1 93 93 PRO CA C 13 63.158 . . 1 . . . . 136 PRO CA . 16787 1 349 . 1 1 93 93 PRO CB C 13 31.916 . . 1 . . . . 136 PRO CB . 16787 1 350 . 1 1 93 93 PRO CD C 13 51.662 . . 1 . . . . 136 PRO CD . 16787 1 351 . 1 1 93 93 PRO CG C 13 27.819 . . 1 . . . . 136 PRO CG . 16787 1 352 . 1 1 94 94 ILE H H 1 8.682 . . 1 . . . . 137 ILE H . 16787 1 353 . 1 1 94 94 ILE CA C 13 61.103 . . 1 . . . . 137 ILE CA . 16787 1 354 . 1 1 94 94 ILE CB C 13 38.874 . . 1 . . . . 137 ILE CB . 16787 1 355 . 1 1 94 94 ILE CD1 C 13 13.039 . . 1 . . . . 137 ILE CD1 . 16787 1 356 . 1 1 94 94 ILE CG1 C 13 27.169 . . 1 . . . . 137 ILE CG1 . 16787 1 357 . 1 1 94 94 ILE CG2 C 13 17.616 . . 1 . . . . 137 ILE CG2 . 16787 1 358 . 1 1 94 94 ILE N N 15 123.362 . . 1 . . . . 137 ILE N . 16787 1 359 . 1 1 95 95 VAL H H 1 8.248 . . 1 . . . . 138 VAL H . 16787 1 360 . 1 1 95 95 VAL CA C 13 62.545 . . 1 . . . . 138 VAL CA . 16787 1 361 . 1 1 95 95 VAL CB C 13 32.434 . . 1 . . . . 138 VAL CB . 16787 1 362 . 1 1 95 95 VAL CG1 C 13 19.204 . . 2 . . . . 138 VAL CG1 . 16787 1 363 . 1 1 95 95 VAL N N 15 126.587 . . 1 . . . . 138 VAL N . 16787 1 364 . 1 1 96 96 SER H H 1 8.151 . . 1 . . . . 139 SER H . 16787 1 365 . 1 1 96 96 SER CA C 13 58.188 . . 1 . . . . 139 SER CA . 16787 1 366 . 1 1 96 96 SER CB C 13 65.889 . . 1 . . . . 139 SER CB . 16787 1 367 . 1 1 96 96 SER N N 15 123.702 . . 1 . . . . 139 SER N . 16787 1 368 . 1 1 97 97 GLN H H 1 8.663 . . 1 . . . . 140 GLN H . 16787 1 369 . 1 1 97 97 GLN CA C 13 54.859 . . 1 . . . . 140 GLN CA . 16787 1 370 . 1 1 97 97 GLN CB C 13 31.219 . . 1 . . . . 140 GLN CB . 16787 1 371 . 1 1 97 97 GLN CG C 13 34.228 . . 1 . . . . 140 GLN CG . 16787 1 372 . 1 1 97 97 GLN N N 15 121.613 . . 1 . . . . 140 GLN N . 16787 1 373 . 1 1 98 98 PHE H H 1 8.992 . . 1 . . . . 141 PHE H . 16787 1 374 . 1 1 98 98 PHE CA C 13 63.092 . . 1 . . . . 141 PHE CA . 16787 1 375 . 1 1 98 98 PHE CB C 13 45.407 . . 1 . . . . 141 PHE CB . 16787 1 376 . 1 1 98 98 PHE N N 15 124.463 . . 1 . . . . 141 PHE N . 16787 1 377 . 1 1 99 99 VAL H H 1 8.495 . . 1 . . . . 142 VAL H . 16787 1 378 . 1 1 99 99 VAL CA C 13 60.806 . . 1 . . . . 142 VAL CA . 16787 1 379 . 1 1 99 99 VAL CB C 13 31.939 . . 1 . . . . 142 VAL CB . 16787 1 380 . 1 1 99 99 VAL CG1 C 13 21.789 . . 2 . . . . 142 VAL CG1 . 16787 1 381 . 1 1 99 99 VAL N N 15 121.023 . . 1 . . . . 142 VAL N . 16787 1 382 . 1 1 100 100 ALA H H 1 8.611 . . 1 . . . . 143 ALA H . 16787 1 383 . 1 1 100 100 ALA CA C 13 55.874 . . 1 . . . . 143 ALA CA . 16787 1 384 . 1 1 100 100 ALA CB C 13 18.653 . . 1 . . . . 143 ALA CB . 16787 1 385 . 1 1 100 100 ALA N N 15 130.551 . . 1 . . . . 143 ALA N . 16787 1 386 . 1 1 101 101 ASP H H 1 8.803 . . 1 . . . . 144 ASP H . 16787 1 387 . 1 1 101 101 ASP CA C 13 56.732 . . 1 . . . . 144 ASP CA . 16787 1 388 . 1 1 101 101 ASP CB C 13 39.961 . . 1 . . . . 144 ASP CB . 16787 1 389 . 1 1 101 101 ASP N N 15 115.393 . . 1 . . . . 144 ASP N . 16787 1 390 . 1 1 102 102 GLU H H 1 6.825 . . 1 . . . . 145 GLU H . 16787 1 391 . 1 1 102 102 GLU CA C 13 54.924 . . 1 . . . . 145 GLU CA . 16787 1 392 . 1 1 102 102 GLU CB C 13 30.625 . . 1 . . . . 145 GLU CB . 16787 1 393 . 1 1 102 102 GLU CG C 13 34.171 . . 1 . . . . 145 GLU CG . 16787 1 394 . 1 1 102 102 GLU N N 15 114.332 . . 1 . . . . 145 GLU N . 16787 1 395 . 1 1 103 103 GLU H H 1 7.783 . . 1 . . . . 146 GLU H . 16787 1 396 . 1 1 103 103 GLU CA C 13 57.261 . . 1 . . . . 146 GLU CA . 16787 1 397 . 1 1 103 103 GLU CB C 13 26.169 . . 1 . . . . 146 GLU CB . 16787 1 398 . 1 1 103 103 GLU N N 15 117.858 . . 1 . . . . 146 GLU N . 16787 1 399 . 1 1 104 104 ALA H H 1 7.487 . . 1 . . . . 147 ALA H . 16787 1 400 . 1 1 104 104 ALA CA C 13 50.269 . . 1 . . . . 147 ALA CA . 16787 1 401 . 1 1 104 104 ALA CB C 13 23.909 . . 1 . . . . 147 ALA CB . 16787 1 402 . 1 1 104 104 ALA N N 15 119.089 . . 1 . . . . 147 ALA N . 16787 1 403 . 1 1 105 105 ALA H H 1 8.579 . . 1 . . . . 148 ALA H . 16787 1 404 . 1 1 105 105 ALA CA C 13 50.509 . . 1 . . . . 148 ALA CA . 16787 1 405 . 1 1 105 105 ALA CB C 13 22.982 . . 1 . . . . 148 ALA CB . 16787 1 406 . 1 1 105 105 ALA N N 15 122.899 . . 1 . . . . 148 ALA N . 16787 1 407 . 1 1 106 106 LEU H H 1 9.328 . . 1 . . . . 149 LEU H . 16787 1 408 . 1 1 106 106 LEU CA C 13 53.685 . . 1 . . . . 149 LEU CA . 16787 1 409 . 1 1 106 106 LEU CB C 13 46.223 . . 1 . . . . 149 LEU CB . 16787 1 410 . 1 1 106 106 LEU N N 15 129.995 . . 1 . . . . 149 LEU N . 16787 1 411 . 1 1 107 107 CYS H H 1 9.184 . . 1 . . . . 150 CYS H . 16787 1 412 . 1 1 107 107 CYS N N 15 118.671 . . 1 . . . . 150 CYS N . 16787 1 413 . 1 1 110 110 PRO CA C 13 63.781 . . 1 . . . . 153 PRO CA . 16787 1 414 . 1 1 110 110 PRO CB C 13 31.995 . . 1 . . . . 153 PRO CB . 16787 1 415 . 1 1 110 110 PRO CD C 13 50.660 . . 1 . . . . 153 PRO CD . 16787 1 416 . 1 1 110 110 PRO CG C 13 27.528 . . 1 . . . . 153 PRO CG . 16787 1 417 . 1 1 111 111 GLY H H 1 8.149 . . 1 . . . . 154 GLY H . 16787 1 418 . 1 1 111 111 GLY N N 15 106.574 . . 1 . . . . 154 GLY N . 16787 1 419 . 1 1 112 112 PRO CA C 13 62.715 . . 1 . . . . 155 PRO CA . 16787 1 420 . 1 1 112 112 PRO CB C 13 34.533 . . 1 . . . . 155 PRO CB . 16787 1 421 . 1 1 112 112 PRO CD C 13 54.119 . . 1 . . . . 155 PRO CD . 16787 1 422 . 1 1 112 112 PRO CG C 13 24.856 . . 1 . . . . 155 PRO CG . 16787 1 423 . 1 1 113 113 VAL H H 1 8.021 . . 1 . . . . 156 VAL H . 16787 1 424 . 1 1 113 113 VAL CA C 13 61.427 . . 1 . . . . 156 VAL CA . 16787 1 425 . 1 1 113 113 VAL CB C 13 34.669 . . 1 . . . . 156 VAL CB . 16787 1 426 . 1 1 113 113 VAL CG1 C 13 23.988 . . 2 . . . . 156 VAL CG1 . 16787 1 427 . 1 1 113 113 VAL N N 15 124.221 . . 1 . . . . 156 VAL N . 16787 1 428 . 1 1 114 114 TYR H H 1 9.352 . . 1 . . . . 157 TYR H . 16787 1 429 . 1 1 114 114 TYR CA C 13 55.892 . . 1 . . . . 157 TYR CA . 16787 1 430 . 1 1 114 114 TYR CB C 13 40.699 . . 1 . . . . 157 TYR CB . 16787 1 431 . 1 1 114 114 TYR N N 15 123.852 . . 1 . . . . 157 TYR N . 16787 1 432 . 1 1 115 115 ASP H H 1 9.648 . . 1 . . . . 158 ASP H . 16787 1 433 . 1 1 115 115 ASP CA C 13 53.557 . . 1 . . . . 158 ASP CA . 16787 1 434 . 1 1 115 115 ASP CB C 13 41.141 . . 1 . . . . 158 ASP CB . 16787 1 435 . 1 1 115 115 ASP N N 15 122.511 . . 1 . . . . 158 ASP N . 16787 1 436 . 1 1 116 116 LEU H H 1 7.361 . . 1 . . . . 159 LEU H . 16787 1 437 . 1 1 116 116 LEU CA C 13 58.858 . . 1 . . . . 159 LEU CA . 16787 1 438 . 1 1 116 116 LEU CB C 13 42.249 . . 1 . . . . 159 LEU CB . 16787 1 439 . 1 1 116 116 LEU N N 15 125.642 . . 1 . . . . 159 LEU N . 16787 1 440 . 1 1 117 117 ARG H H 1 8.866 . . 1 . . . . 160 ARG H . 16787 1 441 . 1 1 117 117 ARG CA C 13 58.670 . . 1 . . . . 160 ARG CA . 16787 1 442 . 1 1 117 117 ARG CB C 13 29.664 . . 1 . . . . 160 ARG CB . 16787 1 443 . 1 1 117 117 ARG N N 15 118.058 . . 1 . . . . 160 ARG N . 16787 1 444 . 1 1 118 118 HIS H H 1 7.149 . . 1 . . . . 161 HIS H . 16787 1 445 . 1 1 118 118 HIS CA C 13 53.763 . . 1 . . . . 161 HIS CA . 16787 1 446 . 1 1 118 118 HIS CB C 13 27.544 . . 1 . . . . 161 HIS CB . 16787 1 447 . 1 1 118 118 HIS N N 15 114.159 . . 1 . . . . 161 HIS N . 16787 1 448 . 1 1 119 119 GLY H H 1 6.552 . . 1 . . . . 162 GLY H . 16787 1 449 . 1 1 119 119 GLY CA C 13 47.891 . . 1 . . . . 162 GLY CA . 16787 1 450 . 1 1 119 119 GLY N N 15 105.763 . . 1 . . . . 162 GLY N . 16787 1 451 . 1 1 120 120 ALA H H 1 8.046 . . 1 . . . . 163 ALA H . 16787 1 452 . 1 1 120 120 ALA CA C 13 52.787 . . 1 . . . . 163 ALA CA . 16787 1 453 . 1 1 120 120 ALA CB C 13 17.314 . . 1 . . . . 163 ALA CB . 16787 1 454 . 1 1 120 120 ALA N N 15 118.617 . . 1 . . . . 163 ALA N . 16787 1 455 . 1 1 121 121 GLN H H 1 6.668 . . 1 . . . . 164 GLN H . 16787 1 456 . 1 1 121 121 GLN CA C 13 57.043 . . 1 . . . . 164 GLN CA . 16787 1 457 . 1 1 121 121 GLN CB C 13 29.471 . . 1 . . . . 164 GLN CB . 16787 1 458 . 1 1 121 121 GLN CG C 13 33.670 . . 1 . . . . 164 GLN CG . 16787 1 459 . 1 1 121 121 GLN N N 15 113.366 . . 1 . . . . 164 GLN N . 16787 1 460 . 1 1 122 122 VAL H H 1 8.784 . . 1 . . . . 165 VAL H . 16787 1 461 . 1 1 122 122 VAL CA C 13 56.533 . . 1 . . . . 165 VAL CA . 16787 1 462 . 1 1 122 122 VAL CB C 13 35.799 . . 1 . . . . 165 VAL CB . 16787 1 463 . 1 1 122 122 VAL CG1 C 13 24.694 . . 2 . . . . 165 VAL CG1 . 16787 1 464 . 1 1 122 122 VAL CG2 C 13 27.339 . . 2 . . . . 165 VAL CG2 . 16787 1 465 . 1 1 122 122 VAL N N 15 126.754 . . 1 . . . . 165 VAL N . 16787 1 466 . 1 1 123 123 ILE H H 1 8.593 . . 1 . . . . 166 ILE H . 16787 1 467 . 1 1 123 123 ILE CA C 13 54.797 . . 1 . . . . 166 ILE CA . 16787 1 468 . 1 1 123 123 ILE CB C 13 34.408 . . 1 . . . . 166 ILE CB . 16787 1 469 . 1 1 123 123 ILE CG1 C 13 26.830 . . 1 . . . . 166 ILE CG1 . 16787 1 470 . 1 1 123 123 ILE N N 15 119.546 . . 1 . . . . 166 ILE N . 16787 1 471 . 1 1 124 124 ALA H H 1 8.648 . . 1 . . . . 167 ALA H . 16787 1 472 . 1 1 124 124 ALA CA C 13 52.508 . . 1 . . . . 167 ALA CA . 16787 1 473 . 1 1 124 124 ALA CB C 13 21.961 . . 1 . . . . 167 ALA CB . 16787 1 474 . 1 1 124 124 ALA N N 15 124.977 . . 1 . . . . 167 ALA N . 16787 1 475 . 1 1 125 125 GLY H H 1 8.300 . . 1 . . . . 168 GLY H . 16787 1 476 . 1 1 125 125 GLY CA C 13 44.870 . . 1 . . . . 168 GLY CA . 16787 1 477 . 1 1 125 125 GLY N N 15 103.805 . . 1 . . . . 168 GLY N . 16787 1 478 . 1 1 128 128 PRO CA C 13 63.145 . . 1 . . . . 171 PRO CA . 16787 1 479 . 1 1 128 128 PRO CB C 13 32.065 . . 1 . . . . 171 PRO CB . 16787 1 480 . 1 1 129 129 ARG H H 1 7.220 . . 1 . . . . 172 ARG H . 16787 1 481 . 1 1 129 129 ARG N N 15 115.068 . . 1 . . . . 172 ARG N . 16787 1 482 . 1 1 130 130 PRO CA C 13 63.271 . . 1 . . . . 173 PRO CA . 16787 1 483 . 1 1 130 130 PRO CB C 13 32.083 . . 1 . . . . 173 PRO CB . 16787 1 484 . 1 1 131 131 VAL H H 1 7.792 . . 1 . . . . 174 VAL H . 16787 1 485 . 1 1 131 131 VAL N N 15 125.482 . . 1 . . . . 174 VAL N . 16787 1 486 . 1 1 132 132 PRO CA C 13 63.420 . . 1 . . . . 175 PRO CA . 16787 1 487 . 1 1 132 132 PRO CB C 13 32.093 . . 1 . . . . 175 PRO CB . 16787 1 488 . 1 1 132 132 PRO CD C 13 50.525 . . 1 . . . . 175 PRO CD . 16787 1 489 . 1 1 132 132 PRO CG C 13 27.431 . . 1 . . . . 175 PRO CG . 16787 1 490 . 1 1 133 133 GLN H H 1 8.579 . . 1 . . . . 176 GLN H . 16787 1 491 . 1 1 133 133 GLN CA C 13 55.406 . . 1 . . . . 176 GLN CA . 16787 1 492 . 1 1 133 133 GLN CB C 13 29.045 . . 1 . . . . 176 GLN CB . 16787 1 493 . 1 1 133 133 GLN CG C 13 32.912 . . 1 . . . . 176 GLN CG . 16787 1 494 . 1 1 133 133 GLN N N 15 120.287 . . 1 . . . . 176 GLN N . 16787 1 495 . 1 1 134 134 LEU H H 1 8.614 . . 1 . . . . 177 LEU H . 16787 1 496 . 1 1 134 134 LEU N N 15 128.312 . . 1 . . . . 177 LEU N . 16787 1 497 . 1 1 135 135 PRO CA C 13 62.710 . . 1 . . . . 178 PRO CA . 16787 1 498 . 1 1 135 135 PRO CB C 13 31.929 . . 1 . . . . 178 PRO CB . 16787 1 499 . 1 1 135 135 PRO CD C 13 55.131 . . 1 . . . . 178 PRO CD . 16787 1 500 . 1 1 135 135 PRO CG C 13 31.525 . . 1 . . . . 178 PRO CG . 16787 1 501 . 1 1 136 136 VAL H H 1 8.508 . . 1 . . . . 179 VAL H . 16787 1 502 . 1 1 136 136 VAL CA C 13 62.067 . . 1 . . . . 179 VAL CA . 16787 1 503 . 1 1 136 136 VAL CB C 13 32.035 . . 1 . . . . 179 VAL CB . 16787 1 504 . 1 1 136 136 VAL CG1 C 13 21.936 . . 2 . . . . 179 VAL CG1 . 16787 1 505 . 1 1 136 136 VAL CG2 C 13 27.433 . . 2 . . . . 179 VAL CG2 . 16787 1 506 . 1 1 136 136 VAL N N 15 124.325 . . 1 . . . . 179 VAL N . 16787 1 507 . 1 1 137 137 ARG H H 1 9.865 . . 1 . . . . 180 ARG H . 16787 1 508 . 1 1 137 137 ARG CA C 13 54.187 . . 1 . . . . 180 ARG CA . 16787 1 509 . 1 1 137 137 ARG CB C 13 32.234 . . 1 . . . . 180 ARG CB . 16787 1 510 . 1 1 137 137 ARG N N 15 115.984 . . 1 . . . . 180 ARG N . 16787 1 511 . 1 1 138 138 VAL H H 1 8.480 . . 1 . . . . 181 VAL H . 16787 1 512 . 1 1 138 138 VAL CA C 13 60.702 . . 1 . . . . 181 VAL CA . 16787 1 513 . 1 1 138 138 VAL CB C 13 32.900 . . 1 . . . . 181 VAL CB . 16787 1 514 . 1 1 138 138 VAL CG1 C 13 21.697 . . 2 . . . . 181 VAL CG1 . 16787 1 515 . 1 1 138 138 VAL N N 15 119.344 . . 1 . . . . 181 VAL N . 16787 1 516 . 1 1 139 139 GLU H H 1 9.276 . . 1 . . . . 182 GLU H . 16787 1 517 . 1 1 139 139 GLU CA C 13 55.045 . . 1 . . . . 182 GLU CA . 16787 1 518 . 1 1 139 139 GLU CB C 13 31.949 . . 1 . . . . 182 GLU CB . 16787 1 519 . 1 1 139 139 GLU CG C 13 35.583 . . 1 . . . . 182 GLU CG . 16787 1 520 . 1 1 139 139 GLU N N 15 128.306 . . 1 . . . . 182 GLU N . 16787 1 521 . 1 1 140 140 ASP H H 1 9.447 . . 1 . . . . 183 ASP H . 16787 1 522 . 1 1 140 140 ASP CA C 13 55.263 . . 1 . . . . 183 ASP CA . 16787 1 523 . 1 1 140 140 ASP CB C 13 39.828 . . 1 . . . . 183 ASP CB . 16787 1 524 . 1 1 140 140 ASP N N 15 128.301 . . 1 . . . . 183 ASP N . 16787 1 525 . 1 1 141 141 GLY H H 1 8.110 . . 1 . . . . 184 GLY H . 16787 1 526 . 1 1 141 141 GLY CA C 13 45.639 . . 1 . . . . 184 GLY CA . 16787 1 527 . 1 1 141 141 GLY N N 15 101.711 . . 1 . . . . 184 GLY N . 16787 1 528 . 1 1 142 142 VAL H H 1 7.801 . . 1 . . . . 185 VAL H . 16787 1 529 . 1 1 142 142 VAL CA C 13 60.734 . . 1 . . . . 185 VAL CA . 16787 1 530 . 1 1 142 142 VAL CB C 13 34.371 . . 1 . . . . 185 VAL CB . 16787 1 531 . 1 1 142 142 VAL CG1 C 13 22.844 . . 2 . . . . 185 VAL CG1 . 16787 1 532 . 1 1 142 142 VAL N N 15 120.735 . . 1 . . . . 185 VAL N . 16787 1 533 . 1 1 143 143 LEU H H 1 8.189 . . 1 . . . . 186 LEU H . 16787 1 534 . 1 1 143 143 LEU CA C 13 54.550 . . 1 . . . . 186 LEU CA . 16787 1 535 . 1 1 143 143 LEU CB C 13 43.147 . . 1 . . . . 186 LEU CB . 16787 1 536 . 1 1 143 143 LEU CD1 C 13 25.819 . . 2 . . . . 186 LEU CD1 . 16787 1 537 . 1 1 143 143 LEU CG C 13 32.256 . . 1 . . . . 186 LEU CG . 16787 1 538 . 1 1 143 143 LEU N N 15 124.768 . . 1 . . . . 186 LEU N . 16787 1 539 . 1 1 144 144 VAL H H 1 8.686 . . 1 . . . . 187 VAL H . 16787 1 540 . 1 1 144 144 VAL CA C 13 59.369 . . 1 . . . . 187 VAL CA . 16787 1 541 . 1 1 144 144 VAL CB C 13 36.307 . . 1 . . . . 187 VAL CB . 16787 1 542 . 1 1 144 144 VAL CG1 C 13 19.588 . . 2 . . . . 187 VAL CG1 . 16787 1 543 . 1 1 144 144 VAL CG2 C 13 21.360 . . 2 . . . . 187 VAL CG2 . 16787 1 544 . 1 1 144 144 VAL N N 15 119.202 . . 1 . . . . 187 VAL N . 16787 1 545 . 1 1 145 145 ALA H H 1 8.986 . . 1 . . . . 188 ALA H . 16787 1 546 . 1 1 145 145 ALA CA C 13 52.327 . . 1 . . . . 188 ALA CA . 16787 1 547 . 1 1 145 145 ALA CB C 13 18.982 . . 1 . . . . 188 ALA CB . 16787 1 548 . 1 1 145 145 ALA N N 15 124.845 . . 1 . . . . 188 ALA N . 16787 1 549 . 1 1 146 146 ALA H H 1 9.067 . . 1 . . . . 189 ALA H . 16787 1 550 . 1 1 146 146 ALA CA C 13 50.899 . . 1 . . . . 189 ALA CA . 16787 1 551 . 1 1 146 146 ALA CB C 13 19.392 . . 1 . . . . 189 ALA CB . 16787 1 552 . 1 1 146 146 ALA N N 15 128.670 . . 1 . . . . 189 ALA N . 16787 1 553 . 1 1 147 147 GLY H H 1 7.276 . . 1 . . . . 190 GLY H . 16787 1 554 . 1 1 147 147 GLY CA C 13 44.385 . . 1 . . . . 190 GLY CA . 16787 1 555 . 1 1 147 147 GLY N N 15 104.605 . . 1 . . . . 190 GLY N . 16787 1 556 . 1 1 148 148 GLU H H 1 7.698 . . 1 . . . . 191 GLU H . 16787 1 557 . 1 1 148 148 GLU CA C 13 55.227 . . 1 . . . . 191 GLU CA . 16787 1 558 . 1 1 148 148 GLU CB C 13 30.706 . . 1 . . . . 191 GLU CB . 16787 1 559 . 1 1 148 148 GLU CG C 13 35.762 . . 1 . . . . 191 GLU CG . 16787 1 560 . 1 1 148 148 GLU N N 15 115.109 . . 1 . . . . 191 GLU N . 16787 1 561 . 1 1 149 149 PHE H H 1 7.787 . . 1 . . . . 192 PHE H . 16787 1 562 . 1 1 149 149 PHE CA C 13 60.823 . . 1 . . . . 192 PHE CA . 16787 1 563 . 1 1 149 149 PHE CB C 13 40.936 . . 1 . . . . 192 PHE CB . 16787 1 564 . 1 1 149 149 PHE N N 15 115.270 . . 1 . . . . 192 PHE N . 16787 1 565 . 1 1 150 150 LEU H H 1 8.648 . . 1 . . . . 193 LEU H . 16787 1 566 . 1 1 150 150 LEU CA C 13 55.542 . . 1 . . . . 193 LEU CA . 16787 1 567 . 1 1 150 150 LEU CB C 13 40.448 . . 1 . . . . 193 LEU CB . 16787 1 568 . 1 1 150 150 LEU CD1 C 13 22.603 . . 2 . . . . 193 LEU CD1 . 16787 1 569 . 1 1 150 150 LEU N N 15 120.243 . . 1 . . . . 193 LEU N . 16787 1 570 . 1 1 151 151 GLY H H 1 7.389 . . 1 . . . . 194 GLY H . 16787 1 571 . 1 1 151 151 GLY N N 15 107.788 . . 1 . . . . 194 GLY N . 16787 1 572 . 1 1 152 152 PRO CA C 13 63.025 . . 1 . . . . 195 PRO CA . 16787 1 573 . 1 1 152 152 PRO CB C 13 32.006 . . 1 . . . . 195 PRO CB . 16787 1 574 . 1 1 152 152 PRO CD C 13 50.678 . . 1 . . . . 195 PRO CD . 16787 1 575 . 1 1 152 152 PRO CG C 13 27.433 . . 1 . . . . 195 PRO CG . 16787 1 576 . 1 1 153 153 VAL H H 1 8.382 . . 1 . . . . 196 VAL H . 16787 1 577 . 1 1 153 153 VAL CA C 13 62.933 . . 1 . . . . 196 VAL CA . 16787 1 578 . 1 1 153 153 VAL CB C 13 31.476 . . 1 . . . . 196 VAL CB . 16787 1 579 . 1 1 153 153 VAL CG1 C 13 23.834 . . 2 . . . . 196 VAL CG1 . 16787 1 580 . 1 1 153 153 VAL CG2 C 13 27.528 . . 2 . . . . 196 VAL CG2 . 16787 1 581 . 1 1 153 153 VAL N N 15 123.219 . . 1 . . . . 196 VAL N . 16787 1 582 . 1 1 154 154 GLY H H 1 8.892 . . 1 . . . . 197 GLY H . 16787 1 583 . 1 1 154 154 GLY CA C 13 45.243 . . 1 . . . . 197 GLY CA . 16787 1 584 . 1 1 154 154 GLY N N 15 113.923 . . 1 . . . . 197 GLY N . 16787 1 585 . 1 1 155 155 VAL H H 1 7.741 . . 1 . . . . 198 VAL H . 16787 1 586 . 1 1 155 155 VAL CA C 13 61.234 . . 1 . . . . 198 VAL CA . 16787 1 587 . 1 1 155 155 VAL CB C 13 32.776 . . 1 . . . . 198 VAL CB . 16787 1 588 . 1 1 155 155 VAL CG1 C 13 19.624 . . 2 . . . . 198 VAL CG1 . 16787 1 589 . 1 1 155 155 VAL CG2 C 13 20.415 . . 2 . . . . 198 VAL CG2 . 16787 1 590 . 1 1 155 155 VAL N N 15 122.051 . . 1 . . . . 198 VAL N . 16787 1 591 . 1 1 156 156 GLN H H 1 8.662 . . 1 . . . . 199 GLN H . 16787 1 592 . 1 1 156 156 GLN CA C 13 55.633 . . 1 . . . . 199 GLN CA . 16787 1 593 . 1 1 156 156 GLN CB C 13 31.212 . . 1 . . . . 199 GLN CB . 16787 1 594 . 1 1 156 156 GLN CG C 13 33.807 . . 1 . . . . 199 GLN CG . 16787 1 595 . 1 1 156 156 GLN N N 15 128.597 . . 1 . . . . 199 GLN N . 16787 1 596 . 1 1 157 157 ALA H H 1 8.348 . . 1 . . . . 200 ALA H . 16787 1 597 . 1 1 157 157 ALA N N 15 123.272 . . 1 . . . . 200 ALA N . 16787 1 stop_ save_