data_7194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7194 _Entry.Title ; Transcription Factor IIIA zinc fingers 4-6 bound to 5S rRNA 55mer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-27 _Entry.Accession_date 2006-06-27 _Entry.Last_release_date 2006-08-12 _Entry.Original_release_date 2006-08-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Brian Lee . M. . 7194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7194 RDCs 1 7194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 7194 '15N chemical shifts' 97 7194 '1H chemical shifts' 583 7194 'residual dipolar couplings' 98 7194 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-08-12 2006-06-27 original author . 7194 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7194 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16405997 _Citation.Full_citation . _Citation.Title "Induced Fit and 'Lock and Key' Recognition of 5 S RNA by Zinc Fingers of Transcription Factor IIIA" _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 357 _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 275 _Citation.Page_last 291 _Citation.Year 2006 _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 Brian Lee . M. . 7194 1 2 Jing Xu . . . 7194 1 3 Bryan Clarkson . K. . 7194 1 4 Maria Martinez-Yamout . A. . 7194 1 5 H. Dyson . Jane . 7194 1 6 Dave Case . A. . 7194 1 7 Joel Gottesfeld . M. . 7194 1 8 Peter Wright . E. . 7194 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'zinc finger' 7194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7194 _Assembly.ID 1 _Assembly.Name 'TFIIIA zf46 & 5S rRNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 3 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-RNA complex' 7194 1 stop_ 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 '5S rRNA' 1 $5S_rRNA_55mer . . yes native no no . . . 7194 1 2 'TFIIIA zf46' 2 $TFIIIA_zf46 . . yes native no no . . . 7194 1 3 'ZINC (II) ION, 1' 3 $ZN . . no native no no . . . 7194 1 4 'ZINC (II) ION, 2' 3 $ZN . . no native no no . . . 7194 1 5 'ZINC (II) ION, 3' 3 $ZN . . no native no no . . . 7194 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 coordination single . 2 . 2 CYS 4 4 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 2 coordination single . 2 . 2 CYS 9 9 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 3 coordination single . 2 . 2 HIS 22 22 NE2 . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 4 coordination single . 2 . 2 HIS 26 26 NE2 . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 5 coordination single . 2 . 2 CYS 34 34 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 6 coordination single . 2 . 2 CYS 39 39 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 7 coordination single . 2 . 2 HIS 52 52 NE2 . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 8 coordination single . 2 . 2 HIS 56 56 NE2 . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 9 coordination single . 2 . 2 CYS 61 61 SG . 5 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 10 coordination single . 2 . 2 CYS 67 67 SG . 5 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 11 coordination single . 2 . 2 HIS 80 80 NE2 . 5 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 12 coordination single . 2 . 2 HIS 85 85 NE2 . 5 . 3 ZN 1 1 ZN . . . . . . . . . . 7194 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 7194 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'storage particle' 7194 1 'transcription factor' 7194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_5S_rRNA_55mer _Entity.Sf_category entity _Entity.Sf_framecode 5S_rRNA_55mer _Entity.Entry_ID 7194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '5S rRNA 55mer' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGCCACACCUCUUGGGCCU GGUUAGUACCUGUUCGCUGG GAAUACCAGGUGCCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 G . 7194 1 2 2 G . 7194 1 3 3 G . 7194 1 4 4 C . 7194 1 5 5 C . 7194 1 6 6 A . 7194 1 7 7 C . 7194 1 8 8 A . 7194 1 9 9 C . 7194 1 10 10 C . 7194 1 11 11 U . 7194 1 12 12 C . 7194 1 13 13 U . 7194 1 14 14 U . 7194 1 15 15 G . 7194 1 16 16 G . 7194 1 17 17 G . 7194 1 18 18 C . 7194 1 19 19 C . 7194 1 20 20 U . 7194 1 21 21 G . 7194 1 22 22 G . 7194 1 23 23 U . 7194 1 24 24 U . 7194 1 25 25 A . 7194 1 26 26 G . 7194 1 27 27 U . 7194 1 28 28 A . 7194 1 29 29 C . 7194 1 30 30 C . 7194 1 31 31 U . 7194 1 32 32 G . 7194 1 33 33 U . 7194 1 34 34 U . 7194 1 35 35 C . 7194 1 36 36 G . 7194 1 37 37 C . 7194 1 38 38 U . 7194 1 39 39 G . 7194 1 40 40 G . 7194 1 41 41 G . 7194 1 42 42 A . 7194 1 43 43 A . 7194 1 44 44 U . 7194 1 45 45 A . 7194 1 46 46 C . 7194 1 47 47 C . 7194 1 48 48 A . 7194 1 49 49 G . 7194 1 50 50 G . 7194 1 51 51 U . 7194 1 52 52 G . 7194 1 53 53 C . 7194 1 54 54 C . 7194 1 55 55 C . 7194 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 . G 1 1 7194 1 . G 2 2 7194 1 . G 3 3 7194 1 . C 4 4 7194 1 . C 5 5 7194 1 . A 6 6 7194 1 . C 7 7 7194 1 . A 8 8 7194 1 . C 9 9 7194 1 . C 10 10 7194 1 . U 11 11 7194 1 . C 12 12 7194 1 . U 13 13 7194 1 . U 14 14 7194 1 . G 15 15 7194 1 . G 16 16 7194 1 . G 17 17 7194 1 . C 18 18 7194 1 . C 19 19 7194 1 . U 20 20 7194 1 . G 21 21 7194 1 . G 22 22 7194 1 . U 23 23 7194 1 . U 24 24 7194 1 . A 25 25 7194 1 . G 26 26 7194 1 . U 27 27 7194 1 . A 28 28 7194 1 . C 29 29 7194 1 . C 30 30 7194 1 . U 31 31 7194 1 . G 32 32 7194 1 . U 33 33 7194 1 . U 34 34 7194 1 . C 35 35 7194 1 . G 36 36 7194 1 . C 37 37 7194 1 . U 38 38 7194 1 . G 39 39 7194 1 . G 40 40 7194 1 . G 41 41 7194 1 . A 42 42 7194 1 . A 43 43 7194 1 . U 44 44 7194 1 . A 45 45 7194 1 . C 46 46 7194 1 . C 47 47 7194 1 . A 48 48 7194 1 . G 49 49 7194 1 . G 50 50 7194 1 . U 51 51 7194 1 . G 52 52 7194 1 . C 53 53 7194 1 . C 54 54 7194 1 . C 55 55 7194 1 stop_ save_ save_TFIIIA_zf46 _Entity.Sf_category entity _Entity.Sf_framecode TFIIIA_zf46 _Entity.Entry_ID 7194 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'TFIIIA zf46' _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 ; MYVCHFENCGKAFKKHNQLK VHQFSHTQQLPYECPHEGCD KRFSLPSRLKRHEKVHAGYP CKKDDSCSFVGKTWTLYLKH VAECHQD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _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 ; MYVCHFENCG KAFKKHNQLK VHQFSHTQQL PYECPHEGCD KRFSLPSRLK RHEKVHAGYP CKKDDSCSFV GKTWTLYLKH VAECHQD ; _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 1 MET . 7194 2 2 2 TYR . 7194 2 3 3 VAL . 7194 2 4 4 CYS . 7194 2 5 5 HIS . 7194 2 6 6 PHE . 7194 2 7 7 GLU . 7194 2 8 8 ASN . 7194 2 9 9 CYS . 7194 2 10 10 GLY . 7194 2 11 11 LYS . 7194 2 12 12 ALA . 7194 2 13 13 PHE . 7194 2 14 14 LYS . 7194 2 15 15 LYS . 7194 2 16 16 HIS . 7194 2 17 17 ASN . 7194 2 18 18 GLN . 7194 2 19 19 LEU . 7194 2 20 20 LYS . 7194 2 21 21 VAL . 7194 2 22 22 HIS . 7194 2 23 23 GLN . 7194 2 24 24 PHE . 7194 2 25 25 SER . 7194 2 26 26 HIS . 7194 2 27 27 THR . 7194 2 28 28 GLN . 7194 2 29 29 GLN . 7194 2 30 30 LEU . 7194 2 31 31 PRO . 7194 2 32 32 TYR . 7194 2 33 33 GLU . 7194 2 34 34 CYS . 7194 2 35 35 PRO . 7194 2 36 36 HIS . 7194 2 37 37 GLU . 7194 2 38 38 GLY . 7194 2 39 39 CYS . 7194 2 40 40 ASP . 7194 2 41 41 LYS . 7194 2 42 42 ARG . 7194 2 43 43 PHE . 7194 2 44 44 SER . 7194 2 45 45 LEU . 7194 2 46 46 PRO . 7194 2 47 47 SER . 7194 2 48 48 ARG . 7194 2 49 49 LEU . 7194 2 50 50 LYS . 7194 2 51 51 ARG . 7194 2 52 52 HIS . 7194 2 53 53 GLU . 7194 2 54 54 LYS . 7194 2 55 55 VAL . 7194 2 56 56 HIS . 7194 2 57 57 ALA . 7194 2 58 58 GLY . 7194 2 59 59 TYR . 7194 2 60 60 PRO . 7194 2 61 61 CYS . 7194 2 62 62 LYS . 7194 2 63 63 LYS . 7194 2 64 64 ASP . 7194 2 65 65 ASP . 7194 2 66 66 SER . 7194 2 67 67 CYS . 7194 2 68 68 SER . 7194 2 69 69 PHE . 7194 2 70 70 VAL . 7194 2 71 71 GLY . 7194 2 72 72 LYS . 7194 2 73 73 THR . 7194 2 74 74 TRP . 7194 2 75 75 THR . 7194 2 76 76 LEU . 7194 2 77 77 TYR . 7194 2 78 78 LEU . 7194 2 79 79 LYS . 7194 2 80 80 HIS . 7194 2 81 81 VAL . 7194 2 82 82 ALA . 7194 2 83 83 GLU . 7194 2 84 84 CYS . 7194 2 85 85 HIS . 7194 2 86 86 GLN . 7194 2 87 87 ASP . 7194 2 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 7194 2 . TYR 2 2 7194 2 . VAL 3 3 7194 2 . CYS 4 4 7194 2 . HIS 5 5 7194 2 . PHE 6 6 7194 2 . GLU 7 7 7194 2 . ASN 8 8 7194 2 . CYS 9 9 7194 2 . GLY 10 10 7194 2 . LYS 11 11 7194 2 . ALA 12 12 7194 2 . PHE 13 13 7194 2 . LYS 14 14 7194 2 . LYS 15 15 7194 2 . HIS 16 16 7194 2 . ASN 17 17 7194 2 . GLN 18 18 7194 2 . LEU 19 19 7194 2 . LYS 20 20 7194 2 . VAL 21 21 7194 2 . HIS 22 22 7194 2 . GLN 23 23 7194 2 . PHE 24 24 7194 2 . SER 25 25 7194 2 . HIS 26 26 7194 2 . THR 27 27 7194 2 . GLN 28 28 7194 2 . GLN 29 29 7194 2 . LEU 30 30 7194 2 . PRO 31 31 7194 2 . TYR 32 32 7194 2 . GLU 33 33 7194 2 . CYS 34 34 7194 2 . PRO 35 35 7194 2 . HIS 36 36 7194 2 . GLU 37 37 7194 2 . GLY 38 38 7194 2 . CYS 39 39 7194 2 . ASP 40 40 7194 2 . LYS 41 41 7194 2 . ARG 42 42 7194 2 . PHE 43 43 7194 2 . SER 44 44 7194 2 . LEU 45 45 7194 2 . PRO 46 46 7194 2 . SER 47 47 7194 2 . ARG 48 48 7194 2 . LEU 49 49 7194 2 . LYS 50 50 7194 2 . ARG 51 51 7194 2 . HIS 52 52 7194 2 . GLU 53 53 7194 2 . LYS 54 54 7194 2 . VAL 55 55 7194 2 . HIS 56 56 7194 2 . ALA 57 57 7194 2 . GLY 58 58 7194 2 . TYR 59 59 7194 2 . PRO 60 60 7194 2 . CYS 61 61 7194 2 . LYS 62 62 7194 2 . LYS 63 63 7194 2 . ASP 64 64 7194 2 . ASP 65 65 7194 2 . SER 66 66 7194 2 . CYS 67 67 7194 2 . SER 68 68 7194 2 . PHE 69 69 7194 2 . VAL 70 70 7194 2 . GLY 71 71 7194 2 . LYS 72 72 7194 2 . THR 73 73 7194 2 . TRP 74 74 7194 2 . THR 75 75 7194 2 . LEU 76 76 7194 2 . TYR 77 77 7194 2 . LEU 78 78 7194 2 . LYS 79 79 7194 2 . HIS 80 80 7194 2 . VAL 81 81 7194 2 . ALA 82 82 7194 2 . GLU 83 83 7194 2 . CYS 84 84 7194 2 . HIS 85 85 7194 2 . GLN 86 86 7194 2 . ASP 87 87 7194 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 7194 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . 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 . ZN . 7194 3 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 7194 _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 $5S_rRNA_55mer . 8355 . no . 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . oocytes . . . . . . . . . . . . . 7194 1 2 2 $TFIIIA_zf46 . 8355 . no . 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . . . . . . . . . . . 7194 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 7194 _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 $5S_rRNA_55mer . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7194 1 2 2 $TFIIIA_zf46 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7194 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 7194 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:11:16 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 7194 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 7194 ZN [Zn++] SMILES CACTVS 3.341 7194 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 7194 ZN [Zn+2] SMILES ACDLabs 10.04 7194 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 7194 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7194 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 7194 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7194 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7194 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7194 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '5S rRNA 55mer' . . . 1 $5S_rRNA_55mer . . . 0.6 2.0 mM . . . . 7194 1 2 'TFIIIA zf46' [U-15N] . . 2 $TFIIIA_zf46 . . . 0.6 2.0 mM . . . . 7194 1 3 'ZINC (II) ION' . . . 3 $ZN . . . 1.8 6.0 mM . . . . 7194 1 4 KH2PO4 . . . . . . . 10 . . mM . . . . 7194 1 5 DTT . . . . . . . 20 . . mM . . . . 7194 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7194 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '5S rRNA 55mer' . . . 1 $5S_rRNA_55mer . . . 0.6 2.0 mM . . . . 7194 2 2 'TFIIIA zf46' '[U-13; U-15N]' . . 2 $TFIIIA_zf46 . . . 0.6 2.0 mM . . . . 7194 2 3 'ZINC (II) ION' . . . 3 $ZN . . . 1.8 6.0 mM . . . . 7194 2 4 KH2PO4 . . . . . . . 10 . . mM . . . . 7194 2 5 DTT . . . . . . . 20 . . mM . . . . 7194 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7194 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '5S rRNA 55mer' . . . 1 $5S_rRNA_55mer . . . 0.6 2.0 mM . . . . 7194 3 2 'TFIIIA zf46' '[U-2H; U-13; U-15N]' . . 2 $TFIIIA_zf46 . . . 0.6 2.0 mM . . . . 7194 3 3 'ZINC (II) ION' . . . 3 $ZN . . . 1.8 6.0 mM . . . . 7194 3 4 KH2PO4 . . . . . . . 10 . . mM . . . . 7194 3 5 DTT . . . . . . . 20 . . mM . . . . 7194 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 7194 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '5S rRNA 55mer' [U-15N] . . 1 $5S_rRNA_55mer . . . 0.6 2.0 mM . . . . 7194 4 2 'TFIIIA zf46' [U-15N] . . 2 $TFIIIA_zf46 . . . 0.6 2.0 mM . . . . 7194 4 3 'ZINC (II) ION' . . . 3 $ZN . . . 1.8 6.0 mM . . . . 7194 4 4 KH2PO4 . . . . . . . 10 . . mM . . . . 7194 4 5 DTT . . . . . . . 20 . . mM . . . . 7194 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 7194 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '5S rRNA 55mer' [U-15N] . . 1 $5S_rRNA_55mer . . . 0.6 2.0 mM . . . . 7194 5 2 'TFIIIA zf46' . . . 2 $TFIIIA_zf46 . . . 0.6 2.0 mM . . . . 7194 5 3 'ZINC (II) ION' . . . 3 $ZN . . . 1.8 6.0 mM . . . . 7194 5 4 KH2PO4 . . . . . . . 10 . . mM . . . . 7194 5 5 DTT . . . . . . . 20 . . mM . . . . 7194 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 7194 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '5S rRNA 55mer' '[U-13C; U-15N]' . . 1 $5S_rRNA_55mer . . . 0.6 2.0 mM . . . . 7194 6 2 'TFIIIA zf46' . . . 2 $TFIIIA_zf46 . . . 0.6 2.0 mM . . . . 7194 6 3 'ZINC (II) ION' . . . 3 $ZN . . . 1.8 6.0 mM . . . . 7194 6 4 KH2PO4 . . . . . . . 10 . . mM . . . . 7194 6 5 DTT . . . . . . . 20 . . mM . . . . 7194 6 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7194 _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' 10 1 mM 7194 1 pH 6.5 0.1 pH 7194 1 temperature 291 0.1 K 7194 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900MHz_spectrometer _NMR_spectrometer.Entry_ID 7194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7194 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7194 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7194 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details '(3) different magnets were used' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer_1 _NMR_spectrometer.Entry_ID 7194 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX-II _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_500MHz_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer_2 _NMR_spectrometer.Entry_ID 7194 _NMR_spectrometer.ID 6 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7194 _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 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 2 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 3 (HCA)CO(CA)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 4 CBCA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 5 HCACO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 6 13C-HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 7 (H)C(CO)NH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 8 (H)CCH-COSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 9 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 10 (HB)CB(CGCD)HD no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 11 'TROSY based HNCO' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 12 'TROSY based HNCA' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 13 'TROSY based HN(CA)CO' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 14 '3D 15N NOESY HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 15 '3D shared-time 15N/13C NOESY HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 16 '3D 13C HMQC-NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 17 '15N HMQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 18 'water flip-back 2D NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 19 'TROSY based HNN-COSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 20 '13C HMQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 21 '2JHN 15N HMQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 22 '3D 13C HMQC NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 23 '2D double half filtered NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 24 '3D 13C edit/filter NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7194 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7194 _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 0.0 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7194 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7194 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7194 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 14 '3D 15N NOESY HSQC' 1 $sample_1 isotropic 7194 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 . 2 2 1 1 MET HA H 1 4.252 . . 1 . . . . 1 MET HA . 7194 1 2 . 2 2 1 1 MET HB2 H 1 1.971 . . 1 . . . . 1 MET HB . 7194 1 3 . 2 2 1 1 MET HB3 H 1 1.971 . . 1 . . . . 1 MET HB . 7194 1 4 . 2 2 1 1 MET HG2 H 1 2.623 . . 2 . . . . 1 MET HG2 . 7194 1 5 . 2 2 1 1 MET HG3 H 1 2.528 . . 2 . . . . 1 MET HG3 . 7194 1 6 . 2 2 1 1 MET HE1 H 1 1.887 . . 1 . . . . 1 MET HE . 7194 1 7 . 2 2 1 1 MET HE2 H 1 1.887 . . 1 . . . . 1 MET HE . 7194 1 8 . 2 2 1 1 MET HE3 H 1 1.887 . . 1 . . . . 1 MET HE . 7194 1 9 . 2 2 1 1 MET CA C 13 53.980 . . 1 . . . . 1 MET CA . 7194 1 10 . 2 2 1 1 MET CB C 13 33.481 . . 1 . . . . 1 MET CB . 7194 1 11 . 2 2 1 1 MET CG C 13 31.440 . . 1 . . . . 1 MET CG . 7194 1 12 . 2 2 1 1 MET CE C 13 16.643 . . 1 . . . . 1 MET CE . 7194 1 13 . 2 2 2 2 TYR H H 1 9.289 . . 1 . . . . 2 TYR HN . 7194 1 14 . 2 2 2 2 TYR HA H 1 4.719 . . 1 . . . . 2 TYR HA . 7194 1 15 . 2 2 2 2 TYR HB2 H 1 3.161 . . 2 . . . . 2 TYR HB2 . 7194 1 16 . 2 2 2 2 TYR HB3 H 1 2.831 . . 2 . . . . 2 TYR HB3 . 7194 1 17 . 2 2 2 2 TYR HD1 H 1 7.212 . . 3 . . . . 2 TYR HD1 . 7194 1 18 . 2 2 2 2 TYR HE1 H 1 7.231 . . 3 . . . . 2 TYR HE1 . 7194 1 19 . 2 2 2 2 TYR CA C 13 57.714 . . 1 . . . . 2 TYR CA . 7194 1 20 . 2 2 2 2 TYR CB C 13 39.260 . . 1 . . . . 2 TYR CB . 7194 1 21 . 2 2 2 2 TYR CD1 C 13 134.217 . . 3 . . . . 2 TYR CD1 . 7194 1 22 . 2 2 2 2 TYR CE1 C 13 118.746 . . 3 . . . . 2 TYR CE1 . 7194 1 23 . 2 2 2 2 TYR N N 15 121.533 . . 1 . . . . 2 TYR N . 7194 1 24 . 2 2 3 3 VAL H H 1 8.725 . . 1 . . . . 3 VAL HN . 7194 1 25 . 2 2 3 3 VAL HA H 1 4.534 . . 1 . . . . 3 VAL HA . 7194 1 26 . 2 2 3 3 VAL HB H 1 1.763 . . 1 . . . . 3 VAL HB . 7194 1 27 . 2 2 3 3 VAL HG11 H 1 0.826 . . 2 . . . . 3 VAL HG1 . 7194 1 28 . 2 2 3 3 VAL HG12 H 1 0.826 . . 2 . . . . 3 VAL HG1 . 7194 1 29 . 2 2 3 3 VAL HG13 H 1 0.826 . . 2 . . . . 3 VAL HG1 . 7194 1 30 . 2 2 3 3 VAL HG21 H 1 0.597 . . 2 . . . . 3 VAL HG2 . 7194 1 31 . 2 2 3 3 VAL HG22 H 1 0.597 . . 2 . . . . 3 VAL HG2 . 7194 1 32 . 2 2 3 3 VAL HG23 H 1 0.597 . . 2 . . . . 3 VAL HG2 . 7194 1 33 . 2 2 3 3 VAL CA C 13 61.469 . . 1 . . . . 3 VAL CA . 7194 1 34 . 2 2 3 3 VAL CB C 13 34.346 . . 1 . . . . 3 VAL CB . 7194 1 35 . 2 2 3 3 VAL CG1 C 13 21.404 . . 2 . . . . 3 VAL CG1 . 7194 1 36 . 2 2 3 3 VAL CG2 C 13 20.542 . . 2 . . . . 3 VAL CG2 . 7194 1 37 . 2 2 3 3 VAL N N 15 125.566 . . 1 . . . . 3 VAL N . 7194 1 38 . 2 2 4 4 CYS H H 1 9.056 . . 1 . . . . 4 CYS HN . 7194 1 39 . 2 2 4 4 CYS HA H 1 4.402 . . 1 . . . . 4 CYS HA . 7194 1 40 . 2 2 4 4 CYS HB2 H 1 3.443 . . 2 . . . . 4 CYS HB2 . 7194 1 41 . 2 2 4 4 CYS HB3 H 1 2.925 . . 2 . . . . 4 CYS HB3 . 7194 1 42 . 2 2 4 4 CYS CA C 13 60.419 . . 1 . . . . 4 CYS CA . 7194 1 43 . 2 2 4 4 CYS CB C 13 30.493 . . 1 . . . . 4 CYS CB . 7194 1 44 . 2 2 4 4 CYS N N 15 128.189 . . 1 . . . . 4 CYS N . 7194 1 45 . 2 2 5 5 HIS H H 1 9.164 . . 1 . . . . 5 HIS HN . 7194 1 46 . 2 2 5 5 HIS HA H 1 4.994 . . 1 . . . . 5 HIS HA . 7194 1 47 . 2 2 5 5 HIS HB2 H 1 3.534 . . 2 . . . . 5 HIS HB2 . 7194 1 48 . 2 2 5 5 HIS HB3 H 1 3.148 . . 2 . . . . 5 HIS HB3 . 7194 1 49 . 2 2 5 5 HIS HD2 H 1 7.351 . . 1 . . . . 5 HIS HD2 . 7194 1 50 . 2 2 5 5 HIS HE1 H 1 8.551 . . 1 . . . . 5 HIS HE1 . 7194 1 51 . 2 2 5 5 HIS CA C 13 55.236 . . 1 . . . . 5 HIS CA . 7194 1 52 . 2 2 5 5 HIS CB C 13 29.013 . . 1 . . . . 5 HIS CB . 7194 1 53 . 2 2 5 5 HIS CD2 C 13 120.074 . . 1 . . . . 5 HIS CD2 . 7194 1 54 . 2 2 5 5 HIS CE1 C 13 136.289 . . 1 . . . . 5 HIS CE1 . 7194 1 55 . 2 2 5 5 HIS N N 15 126.963 . . 1 . . . . 5 HIS N . 7194 1 56 . 2 2 6 6 PHE H H 1 8.750 . . 1 . . . . 6 PHE HN . 7194 1 57 . 2 2 6 6 PHE HA H 1 4.093 . . 1 . . . . 6 PHE HA . 7194 1 58 . 2 2 6 6 PHE HB2 H 1 2.650 . . 2 . . . . 6 PHE HB2 . 7194 1 59 . 2 2 6 6 PHE HB3 H 1 2.356 . . 2 . . . . 6 PHE HB3 . 7194 1 60 . 2 2 6 6 PHE HD1 H 1 7.030 . . 3 . . . . 6 PHE HD1 . 7194 1 61 . 2 2 6 6 PHE HE1 H 1 7.295 . . 3 . . . . 6 PHE HE1 . 7194 1 62 . 2 2 6 6 PHE HZ H 1 7.287 . . 1 . . . . 6 PHE HZ . 7194 1 63 . 2 2 6 6 PHE CA C 13 59.983 . . 1 . . . . 6 PHE CA . 7194 1 64 . 2 2 6 6 PHE CB C 13 38.936 . . 1 . . . . 6 PHE CB . 7194 1 65 . 2 2 6 6 PHE CD1 C 13 132.091 . . 3 . . . . 6 PHE CD1 . 7194 1 66 . 2 2 6 6 PHE CE1 C 13 131.033 . . 3 . . . . 6 PHE CE1 . 7194 1 67 . 2 2 6 6 PHE CZ C 13 130.207 . . 1 . . . . 6 PHE CZ . 7194 1 68 . 2 2 6 6 PHE N N 15 125.445 . . 1 . . . . 6 PHE N . 7194 1 69 . 2 2 7 7 GLU H H 1 8.455 . . 1 . . . . 7 GLU HN . 7194 1 70 . 2 2 7 7 GLU HA H 1 3.787 . . 1 . . . . 7 GLU HA . 7194 1 71 . 2 2 7 7 GLU HB2 H 1 1.823 . . 1 . . . . 7 GLU HB . 7194 1 72 . 2 2 7 7 GLU HB3 H 1 1.823 . . 1 . . . . 7 GLU HB . 7194 1 73 . 2 2 7 7 GLU HG2 H 1 2.044 . . 1 . . . . 7 GLU HG . 7194 1 74 . 2 2 7 7 GLU HG3 H 1 2.044 . . 1 . . . . 7 GLU HG . 7194 1 75 . 2 2 7 7 GLU CA C 13 57.751 . . 1 . . . . 7 GLU CA . 7194 1 76 . 2 2 7 7 GLU CB C 13 28.865 . . 1 . . . . 7 GLU CB . 7194 1 77 . 2 2 7 7 GLU CG C 13 35.841 . . 1 . . . . 7 GLU CG . 7194 1 78 . 2 2 7 7 GLU N N 15 127.295 . . 1 . . . . 7 GLU N . 7194 1 79 . 2 2 8 8 ASN H H 1 8.788 . . 1 . . . . 8 ASN HN . 7194 1 80 . 2 2 8 8 ASN HA H 1 4.383 . . 1 . . . . 8 ASN HA . 7194 1 81 . 2 2 8 8 ASN HB2 H 1 3.117 . . 2 . . . . 8 ASN HB2 . 7194 1 82 . 2 2 8 8 ASN HB3 H 1 2.937 . . 2 . . . . 8 ASN HB3 . 7194 1 83 . 2 2 8 8 ASN HD21 H 1 7.706 . . 2 . . . . 8 ASN HD21 . 7194 1 84 . 2 2 8 8 ASN HD22 H 1 6.991 . . 2 . . . . 8 ASN HD22 . 7194 1 85 . 2 2 8 8 ASN CA C 13 54.270 . . 1 . . . . 8 ASN CA . 7194 1 86 . 2 2 8 8 ASN CB C 13 37.564 . . 1 . . . . 8 ASN CB . 7194 1 87 . 2 2 8 8 ASN N N 15 116.400 . . 1 . . . . 8 ASN N . 7194 1 88 . 2 2 8 8 ASN ND2 N 15 114.063 . . 1 . . . . 8 ASN ND2 . 7194 1 89 . 2 2 9 9 CYS H H 1 7.984 . . 1 . . . . 9 CYS HN . 7194 1 90 . 2 2 9 9 CYS HA H 1 4.588 . . 1 . . . . 9 CYS HA . 7194 1 91 . 2 2 9 9 CYS HB2 H 1 3.131 . . 2 . . . . 9 CYS HB2 . 7194 1 92 . 2 2 9 9 CYS HB3 H 1 3.044 . . 2 . . . . 9 CYS HB3 . 7194 1 93 . 2 2 9 9 CYS CA C 13 61.236 . . 1 . . . . 9 CYS CA . 7194 1 94 . 2 2 9 9 CYS CB C 13 29.257 . . 1 . . . . 9 CYS CB . 7194 1 95 . 2 2 9 9 CYS N N 15 121.236 . . 1 . . . . 9 CYS N . 7194 1 96 . 2 2 10 10 GLY H H 1 8.144 . . 1 . . . . 10 GLY HN . 7194 1 97 . 2 2 10 10 GLY HA2 H 1 4.032 . . 2 . . . . 10 GLY HA1 . 7194 1 98 . 2 2 10 10 GLY HA3 H 1 3.868 . . 2 . . . . 10 GLY HA2 . 7194 1 99 . 2 2 10 10 GLY CA C 13 45.887 . . 1 . . . . 10 GLY CA . 7194 1 100 . 2 2 10 10 GLY N N 15 105.400 . . 1 . . . . 10 GLY N . 7194 1 101 . 2 2 11 11 LYS H H 1 8.132 . . 1 . . . . 11 LYS HN . 7194 1 102 . 2 2 11 11 LYS HA H 1 3.907 . . 1 . . . . 11 LYS HA . 7194 1 103 . 2 2 11 11 LYS HB2 H 1 1.408 . . 2 . . . . 11 LYS HB2 . 7194 1 104 . 2 2 11 11 LYS HB3 H 1 1.274 . . 2 . . . . 11 LYS HB3 . 7194 1 105 . 2 2 11 11 LYS HG2 H 1 1.472 . . 2 . . . . 11 LYS HG2 . 7194 1 106 . 2 2 11 11 LYS HG3 H 1 1.281 . . 2 . . . . 11 LYS HG3 . 7194 1 107 . 2 2 11 11 LYS HD2 H 1 1.479 . . 1 . . . . 11 LYS HD . 7194 1 108 . 2 2 11 11 LYS HD3 H 1 1.479 . . 1 . . . . 11 LYS HD . 7194 1 109 . 2 2 11 11 LYS HE2 H 1 3.010 . . 1 . . . . 11 LYS HE . 7194 1 110 . 2 2 11 11 LYS HE3 H 1 3.010 . . 1 . . . . 11 LYS HE . 7194 1 111 . 2 2 11 11 LYS CA C 13 57.884 . . 1 . . . . 11 LYS CA . 7194 1 112 . 2 2 11 11 LYS CB C 13 33.305 . . 1 . . . . 11 LYS CB . 7194 1 113 . 2 2 11 11 LYS CG C 13 26.309 . . 1 . . . . 11 LYS CG . 7194 1 114 . 2 2 11 11 LYS CD C 13 28.856 . . 1 . . . . 11 LYS CD . 7194 1 115 . 2 2 11 11 LYS CE C 13 42.304 . . 1 . . . . 11 LYS CE . 7194 1 116 . 2 2 11 11 LYS N N 15 122.606 . . 1 . . . . 11 LYS N . 7194 1 117 . 2 2 12 12 ALA H H 1 7.747 . . 1 . . . . 12 ALA HN . 7194 1 118 . 2 2 12 12 ALA HA H 1 5.128 . . 1 . . . . 12 ALA HA . 7194 1 119 . 2 2 12 12 ALA HB1 H 1 1.175 . . 1 . . . . 12 ALA HB . 7194 1 120 . 2 2 12 12 ALA HB2 H 1 1.175 . . 1 . . . . 12 ALA HB . 7194 1 121 . 2 2 12 12 ALA HB3 H 1 1.175 . . 1 . . . . 12 ALA HB . 7194 1 122 . 2 2 12 12 ALA CA C 13 49.875 . . 1 . . . . 12 ALA CA . 7194 1 123 . 2 2 12 12 ALA CB C 13 22.847 . . 1 . . . . 12 ALA CB . 7194 1 124 . 2 2 12 12 ALA N N 15 122.453 . . 1 . . . . 12 ALA N . 7194 1 125 . 2 2 13 13 PHE H H 1 8.961 . . 1 . . . . 13 PHE HN . 7194 1 126 . 2 2 13 13 PHE HA H 1 4.731 . . 1 . . . . 13 PHE HA . 7194 1 127 . 2 2 13 13 PHE HB2 H 1 3.610 . . 2 . . . . 13 PHE HB2 . 7194 1 128 . 2 2 13 13 PHE HB3 H 1 2.678 . . 2 . . . . 13 PHE HB3 . 7194 1 129 . 2 2 13 13 PHE HD1 H 1 7.230 . . 3 . . . . 13 PHE HD1 . 7194 1 130 . 2 2 13 13 PHE HE1 H 1 6.880 . . 3 . . . . 13 PHE HE1 . 7194 1 131 . 2 2 13 13 PHE HZ H 1 6.241 . . 1 . . . . 13 PHE HZ . 7194 1 132 . 2 2 13 13 PHE CA C 13 56.827 . . 1 . . . . 13 PHE CA . 7194 1 133 . 2 2 13 13 PHE CB C 13 43.422 . . 1 . . . . 13 PHE CB . 7194 1 134 . 2 2 13 13 PHE CD1 C 13 132.342 . . 3 . . . . 13 PHE CD1 . 7194 1 135 . 2 2 13 13 PHE CE1 C 13 130.829 . . 3 . . . . 13 PHE CE1 . 7194 1 136 . 2 2 13 13 PHE CZ C 13 128.804 . . 1 . . . . 13 PHE CZ . 7194 1 137 . 2 2 13 13 PHE N N 15 118.078 . . 1 . . . . 13 PHE N . 7194 1 138 . 2 2 14 14 LYS H H 1 9.189 . . 1 . . . . 14 LYS HN . 7194 1 139 . 2 2 14 14 LYS HA H 1 4.447 . . 1 . . . . 14 LYS HA . 7194 1 140 . 2 2 14 14 LYS HB2 H 1 1.979 . . 1 . . . . 14 LYS HB . 7194 1 141 . 2 2 14 14 LYS HB3 H 1 1.979 . . 1 . . . . 14 LYS HB . 7194 1 142 . 2 2 14 14 LYS HG2 H 1 1.610 . . 2 . . . . 14 LYS HG2 . 7194 1 143 . 2 2 14 14 LYS HG3 H 1 1.514 . . 2 . . . . 14 LYS HG3 . 7194 1 144 . 2 2 14 14 LYS HD2 H 1 1.744 . . 1 . . . . 14 LYS HD . 7194 1 145 . 2 2 14 14 LYS HD3 H 1 1.744 . . 1 . . . . 14 LYS HD . 7194 1 146 . 2 2 14 14 LYS HE2 H 1 3.013 . . 1 . . . . 14 LYS HE . 7194 1 147 . 2 2 14 14 LYS HE3 H 1 3.013 . . 1 . . . . 14 LYS HE . 7194 1 148 . 2 2 14 14 LYS CA C 13 58.951 . . 1 . . . . 14 LYS CA . 7194 1 149 . 2 2 14 14 LYS CB C 13 33.476 . . 1 . . . . 14 LYS CB . 7194 1 150 . 2 2 14 14 LYS CG C 13 25.667 . . 1 . . . . 14 LYS CG . 7194 1 151 . 2 2 14 14 LYS CD C 13 29.008 . . 1 . . . . 14 LYS CD . 7194 1 152 . 2 2 14 14 LYS CE C 13 42.303 . . 1 . . . . 14 LYS CE . 7194 1 153 . 2 2 14 14 LYS N N 15 123.335 . . 1 . . . . 14 LYS N . 7194 1 154 . 2 2 15 15 LYS H H 1 7.777 . . 1 . . . . 15 LYS HN . 7194 1 155 . 2 2 15 15 LYS HA H 1 5.266 . . 1 . . . . 15 LYS HA . 7194 1 156 . 2 2 15 15 LYS HB2 H 1 1.445 . . 2 . . . . 15 LYS HB2 . 7194 1 157 . 2 2 15 15 LYS HB3 H 1 1.314 . . 2 . . . . 15 LYS HB3 . 7194 1 158 . 2 2 15 15 LYS HG2 H 1 1.215 . . 2 . . . . 15 LYS HG2 . 7194 1 159 . 2 2 15 15 LYS HG3 H 1 0.684 . . 2 . . . . 15 LYS HG3 . 7194 1 160 . 2 2 15 15 LYS HD2 H 1 0.871 . . 2 . . . . 15 LYS HD2 . 7194 1 161 . 2 2 15 15 LYS HD3 H 1 0.522 . . 2 . . . . 15 LYS HD3 . 7194 1 162 . 2 2 15 15 LYS HE2 H 1 2.814 . . 2 . . . . 15 LYS HE2 . 7194 1 163 . 2 2 15 15 LYS HE3 H 1 2.609 . . 2 . . . . 15 LYS HE3 . 7194 1 164 . 2 2 15 15 LYS CA C 13 52.174 . . 1 . . . . 15 LYS CA . 7194 1 165 . 2 2 15 15 LYS CB C 13 34.396 . . 1 . . . . 15 LYS CB . 7194 1 166 . 2 2 15 15 LYS CG C 13 24.281 . . 1 . . . . 15 LYS CG . 7194 1 167 . 2 2 15 15 LYS CD C 13 27.170 . . 1 . . . . 15 LYS CD . 7194 1 168 . 2 2 15 15 LYS CE C 13 42.642 . . 1 . . . . 15 LYS CE . 7194 1 169 . 2 2 15 15 LYS N N 15 113.249 . . 1 . . . . 15 LYS N . 7194 1 170 . 2 2 16 16 HIS H H 1 10.495 . . 1 . . . . 16 HIS HN . 7194 1 171 . 2 2 16 16 HIS HA H 1 3.608 . . 1 . . . . 16 HIS HA . 7194 1 172 . 2 2 16 16 HIS HB2 H 1 2.935 . . 2 . . . . 16 HIS HB2 . 7194 1 173 . 2 2 16 16 HIS HB3 H 1 2.173 . . 2 . . . . 16 HIS HB3 . 7194 1 174 . 2 2 16 16 HIS HD2 H 1 6.637 . . 1 . . . . 16 HIS HD2 . 7194 1 175 . 2 2 16 16 HIS HE1 H 1 9.110 . . 1 . . . . 16 HIS HE1 . 7194 1 176 . 2 2 16 16 HIS CA C 13 59.098 . . 1 . . . . 16 HIS CA . 7194 1 177 . 2 2 16 16 HIS CB C 13 25.784 . . 1 . . . . 16 HIS CB . 7194 1 178 . 2 2 16 16 HIS CD2 C 13 121.772 . . 1 . . . . 16 HIS CD2 . 7194 1 179 . 2 2 16 16 HIS CE1 C 13 137.114 . . 1 . . . . 16 HIS CE1 . 7194 1 180 . 2 2 16 16 HIS N N 15 126.541 . . 1 . . . . 16 HIS N . 7194 1 181 . 2 2 17 17 ASN H H 1 8.801 . . 1 . . . . 17 ASN HN . 7194 1 182 . 2 2 17 17 ASN HA H 1 4.624 . . 1 . . . . 17 ASN HA . 7194 1 183 . 2 2 17 17 ASN HB2 H 1 2.868 . . 2 . . . . 17 ASN HB2 . 7194 1 184 . 2 2 17 17 ASN HB3 H 1 2.752 . . 2 . . . . 17 ASN HB3 . 7194 1 185 . 2 2 17 17 ASN HD21 H 1 7.626 . . 2 . . . . 17 ASN HD21 . 7194 1 186 . 2 2 17 17 ASN HD22 H 1 7.094 . . 2 . . . . 17 ASN HD22 . 7194 1 187 . 2 2 17 17 ASN CA C 13 56.386 . . 1 . . . . 17 ASN CA . 7194 1 188 . 2 2 17 17 ASN CB C 13 37.799 . . 1 . . . . 17 ASN CB . 7194 1 189 . 2 2 17 17 ASN N N 15 121.678 . . 1 . . . . 17 ASN N . 7194 1 190 . 2 2 17 17 ASN ND2 N 15 114.428 . . 1 . . . . 17 ASN ND2 . 7194 1 191 . 2 2 18 18 GLN H H 1 6.874 . . 1 . . . . 18 GLN HN . 7194 1 192 . 2 2 18 18 GLN HA H 1 3.915 . . 1 . . . . 18 GLN HA . 7194 1 193 . 2 2 18 18 GLN HB2 H 1 1.953 . . 1 . . . . 18 GLN HB . 7194 1 194 . 2 2 18 18 GLN HB3 H 1 1.953 . . 1 . . . . 18 GLN HB . 7194 1 195 . 2 2 18 18 GLN HG2 H 1 2.505 . . 2 . . . . 18 GLN HG2 . 7194 1 196 . 2 2 18 18 GLN HG3 H 1 2.334 . . 2 . . . . 18 GLN HG3 . 7194 1 197 . 2 2 18 18 GLN HE21 H 1 7.531 . . 2 . . . . 18 GLN HE21 . 7194 1 198 . 2 2 18 18 GLN HE22 H 1 6.947 . . 2 . . . . 18 GLN HE22 . 7194 1 199 . 2 2 18 18 GLN CA C 13 57.722 . . 1 . . . . 18 GLN CA . 7194 1 200 . 2 2 18 18 GLN CB C 13 27.684 . . 1 . . . . 18 GLN CB . 7194 1 201 . 2 2 18 18 GLN CG C 13 33.655 . . 1 . . . . 18 GLN CG . 7194 1 202 . 2 2 18 18 GLN N N 15 118.895 . . 1 . . . . 18 GLN N . 7194 1 203 . 2 2 18 18 GLN NE2 N 15 111.389 . . 1 . . . . 18 GLN NE2 . 7194 1 204 . 2 2 19 19 LEU H H 1 6.866 . . 1 . . . . 19 LEU HN . 7194 1 205 . 2 2 19 19 LEU HA H 1 3.357 . . 1 . . . . 19 LEU HA . 7194 1 206 . 2 2 19 19 LEU HB2 H 1 2.139 . . 2 . . . . 19 LEU HB2 . 7194 1 207 . 2 2 19 19 LEU HB3 H 1 1.327 . . 2 . . . . 19 LEU HB3 . 7194 1 208 . 2 2 19 19 LEU HG H 1 1.596 . . 1 . . . . 19 LEU HG . 7194 1 209 . 2 2 19 19 LEU HD11 H 1 1.064 . . 2 . . . . 19 LEU HD1 . 7194 1 210 . 2 2 19 19 LEU HD12 H 1 1.064 . . 2 . . . . 19 LEU HD1 . 7194 1 211 . 2 2 19 19 LEU HD13 H 1 1.064 . . 2 . . . . 19 LEU HD1 . 7194 1 212 . 2 2 19 19 LEU HD21 H 1 1.162 . . 2 . . . . 19 LEU HD2 . 7194 1 213 . 2 2 19 19 LEU HD22 H 1 1.162 . . 2 . . . . 19 LEU HD2 . 7194 1 214 . 2 2 19 19 LEU HD23 H 1 1.162 . . 2 . . . . 19 LEU HD2 . 7194 1 215 . 2 2 19 19 LEU CA C 13 57.594 . . 1 . . . . 19 LEU CA . 7194 1 216 . 2 2 19 19 LEU CB C 13 40.094 . . 1 . . . . 19 LEU CB . 7194 1 217 . 2 2 19 19 LEU CG C 13 27.218 . . 1 . . . . 19 LEU CG . 7194 1 218 . 2 2 19 19 LEU CD1 C 13 26.349 . . 2 . . . . 19 LEU CD1 . 7194 1 219 . 2 2 19 19 LEU CD2 C 13 23.329 . . 2 . . . . 19 LEU CD2 . 7194 1 220 . 2 2 19 19 LEU N N 15 121.287 . . 1 . . . . 19 LEU N . 7194 1 221 . 2 2 20 20 LYS H H 1 7.769 . . 1 . . . . 20 LYS HN . 7194 1 222 . 2 2 20 20 LYS HA H 1 3.945 . . 1 . . . . 20 LYS HA . 7194 1 223 . 2 2 20 20 LYS HD2 H 1 1.669 . . 1 . . . . 20 LYS HD . 7194 1 224 . 2 2 20 20 LYS HD3 H 1 1.669 . . 1 . . . . 20 LYS HD . 7194 1 225 . 2 2 20 20 LYS HE2 H 1 2.816 . . 2 . . . . 20 LYS HE2 . 7194 1 226 . 2 2 20 20 LYS HE3 H 1 2.622 . . 2 . . . . 20 LYS HE3 . 7194 1 227 . 2 2 20 20 LYS CA C 13 59.847 . . 1 . . . . 20 LYS CA . 7194 1 228 . 2 2 20 20 LYS CD C 13 29.543 . . 1 . . . . 20 LYS CD . 7194 1 229 . 2 2 20 20 LYS CE C 13 42.099 . . 1 . . . . 20 LYS CE . 7194 1 230 . 2 2 20 20 LYS N N 15 121.284 . . 1 . . . . 20 LYS N . 7194 1 231 . 2 2 21 21 VAL H H 1 7.904 . . 1 . . . . 21 VAL HN . 7194 1 232 . 2 2 21 21 VAL HA H 1 3.825 . . 1 . . . . 21 VAL HA . 7194 1 233 . 2 2 21 21 VAL HB H 1 2.094 . . 1 . . . . 21 VAL HB . 7194 1 234 . 2 2 21 21 VAL HG11 H 1 1.501 . . 2 . . . . 21 VAL HG1 . 7194 1 235 . 2 2 21 21 VAL HG12 H 1 1.501 . . 2 . . . . 21 VAL HG1 . 7194 1 236 . 2 2 21 21 VAL HG13 H 1 1.501 . . 2 . . . . 21 VAL HG1 . 7194 1 237 . 2 2 21 21 VAL HG21 H 1 1.146 . . 2 . . . . 21 VAL HG2 . 7194 1 238 . 2 2 21 21 VAL HG22 H 1 1.146 . . 2 . . . . 21 VAL HG2 . 7194 1 239 . 2 2 21 21 VAL HG23 H 1 1.146 . . 2 . . . . 21 VAL HG2 . 7194 1 240 . 2 2 21 21 VAL CA C 13 66.385 . . 1 . . . . 21 VAL CA . 7194 1 241 . 2 2 21 21 VAL CB C 13 32.653 . . 1 . . . . 21 VAL CB . 7194 1 242 . 2 2 21 21 VAL CG1 C 13 23.552 . . 2 . . . . 21 VAL CG1 . 7194 1 243 . 2 2 21 21 VAL CG2 C 13 21.336 . . 2 . . . . 21 VAL CG2 . 7194 1 244 . 2 2 21 21 VAL N N 15 117.342 . . 1 . . . . 21 VAL N . 7194 1 245 . 2 2 22 22 HIS H H 1 7.607 . . 1 . . . . 22 HIS HN . 7194 1 246 . 2 2 22 22 HIS HA H 1 4.412 . . 1 . . . . 22 HIS HA . 7194 1 247 . 2 2 22 22 HIS HB2 H 1 3.167 . . 2 . . . . 22 HIS HB2 . 7194 1 248 . 2 2 22 22 HIS HB3 H 1 2.919 . . 2 . . . . 22 HIS HB3 . 7194 1 249 . 2 2 22 22 HIS HD2 H 1 7.110 . . 1 . . . . 22 HIS HD2 . 7194 1 250 . 2 2 22 22 HIS HE1 H 1 7.952 . . 1 . . . . 22 HIS HE1 . 7194 1 251 . 2 2 22 22 HIS CA C 13 58.470 . . 1 . . . . 22 HIS CA . 7194 1 252 . 2 2 22 22 HIS CB C 13 28.361 . . 1 . . . . 22 HIS CB . 7194 1 253 . 2 2 22 22 HIS CD2 C 13 127.767 . . 1 . . . . 22 HIS CD2 . 7194 1 254 . 2 2 22 22 HIS CE1 C 13 139.440 . . 1 . . . . 22 HIS CE1 . 7194 1 255 . 2 2 22 22 HIS N N 15 118.653 . . 1 . . . . 22 HIS N . 7194 1 256 . 2 2 23 23 GLN H H 1 8.522 . . 1 . . . . 23 GLN HN . 7194 1 257 . 2 2 23 23 GLN HA H 1 3.645 . . 1 . . . . 23 GLN HA . 7194 1 258 . 2 2 23 23 GLN HB2 H 1 2.383 . . 2 . . . . 23 GLN HB2 . 7194 1 259 . 2 2 23 23 GLN HB3 H 1 2.146 . . 2 . . . . 23 GLN HB3 . 7194 1 260 . 2 2 23 23 GLN HG2 H 1 2.909 . . 2 . . . . 23 GLN HG2 . 7194 1 261 . 2 2 23 23 GLN HG3 H 1 2.854 . . 2 . . . . 23 GLN HG3 . 7194 1 262 . 2 2 23 23 GLN HE21 H 1 7.556 . . 2 . . . . 23 GLN HE21 . 7194 1 263 . 2 2 23 23 GLN CA C 13 59.585 . . 1 . . . . 23 GLN CA . 7194 1 264 . 2 2 23 23 GLN CB C 13 27.727 . . 1 . . . . 23 GLN CB . 7194 1 265 . 2 2 23 23 GLN CG C 13 35.423 . . 1 . . . . 23 GLN CG . 7194 1 266 . 2 2 23 23 GLN N N 15 118.973 . . 1 . . . . 23 GLN N . 7194 1 267 . 2 2 23 23 GLN NE2 N 15 114.326 . . 1 . . . . 23 GLN NE2 . 7194 1 268 . 2 2 24 24 PHE H H 1 7.290 . . 1 . . . . 24 PHE HN . 7194 1 269 . 2 2 24 24 PHE HA H 1 4.473 . . 1 . . . . 24 PHE HA . 7194 1 270 . 2 2 24 24 PHE HB2 H 1 3.289 . . 2 . . . . 24 PHE HB2 . 7194 1 271 . 2 2 24 24 PHE HB3 H 1 3.209 . . 2 . . . . 24 PHE HB3 . 7194 1 272 . 2 2 24 24 PHE HD1 H 1 7.204 . . 3 . . . . 24 PHE HD1 . 7194 1 273 . 2 2 24 24 PHE HE1 H 1 7.210 . . 3 . . . . 24 PHE HE1 . 7194 1 274 . 2 2 24 24 PHE HZ H 1 7.209 . . 1 . . . . 24 PHE HZ . 7194 1 275 . 2 2 24 24 PHE CA C 13 60.094 . . 1 . . . . 24 PHE CA . 7194 1 276 . 2 2 24 24 PHE CB C 13 39.123 . . 1 . . . . 24 PHE CB . 7194 1 277 . 2 2 24 24 PHE CD1 C 13 131.729 . . 3 . . . . 24 PHE CD1 . 7194 1 278 . 2 2 24 24 PHE CE1 C 13 131.154 . . 3 . . . . 24 PHE CE1 . 7194 1 279 . 2 2 24 24 PHE CZ C 13 130.300 . . 1 . . . . 24 PHE CZ . 7194 1 280 . 2 2 24 24 PHE N N 15 118.905 . . 1 . . . . 24 PHE N . 7194 1 281 . 2 2 25 25 SER H H 1 7.868 . . 1 . . . . 25 SER HN . 7194 1 282 . 2 2 25 25 SER HA H 1 4.014 . . 1 . . . . 25 SER HA . 7194 1 283 . 2 2 25 25 SER HB2 H 1 3.795 . . 2 . . . . 25 SER HB2 . 7194 1 284 . 2 2 25 25 SER HB3 H 1 3.574 . . 2 . . . . 25 SER HB3 . 7194 1 285 . 2 2 25 25 SER CA C 13 60.966 . . 1 . . . . 25 SER CA . 7194 1 286 . 2 2 25 25 SER CB C 13 62.585 . . 1 . . . . 25 SER CB . 7194 1 287 . 2 2 25 25 SER N N 15 114.002 . . 1 . . . . 25 SER N . 7194 1 288 . 2 2 26 26 HIS H H 1 7.040 . . 1 . . . . 26 HIS HN . 7194 1 289 . 2 2 26 26 HIS HA H 1 4.486 . . 1 . . . . 26 HIS HA . 7194 1 290 . 2 2 26 26 HIS HB2 H 1 2.522 . . 2 . . . . 26 HIS HB2 . 7194 1 291 . 2 2 26 26 HIS HB3 H 1 2.050 . . 2 . . . . 26 HIS HB3 . 7194 1 292 . 2 2 26 26 HIS HD1 H 1 12.334 . . 1 . . . . 26 HIS HD1 . 7194 1 293 . 2 2 26 26 HIS HD2 H 1 6.222 . . 1 . . . . 26 HIS HD2 . 7194 1 294 . 2 2 26 26 HIS HE1 H 1 8.031 . . 1 . . . . 26 HIS HE1 . 7194 1 295 . 2 2 26 26 HIS CA C 13 55.722 . . 1 . . . . 26 HIS CA . 7194 1 296 . 2 2 26 26 HIS CB C 13 28.858 . . 1 . . . . 26 HIS CB . 7194 1 297 . 2 2 26 26 HIS CD2 C 13 127.278 . . 1 . . . . 26 HIS CD2 . 7194 1 298 . 2 2 26 26 HIS CE1 C 13 139.448 . . 1 . . . . 26 HIS CE1 . 7194 1 299 . 2 2 26 26 HIS N N 15 117.133 . . 1 . . . . 26 HIS N . 7194 1 300 . 2 2 26 26 HIS ND1 N 15 169.542 . . 1 . . . . 26 HIS ND1 . 7194 1 301 . 2 2 27 27 THR H H 1 7.806 . . 1 . . . . 27 THR HN . 7194 1 302 . 2 2 27 27 THR HA H 1 4.317 . . 1 . . . . 27 THR HA . 7194 1 303 . 2 2 27 27 THR HB H 1 4.346 . . 1 . . . . 27 THR HB . 7194 1 304 . 2 2 27 27 THR HG21 H 1 1.269 . . 1 . . . . 27 THR HG2 . 7194 1 305 . 2 2 27 27 THR HG22 H 1 1.269 . . 1 . . . . 27 THR HG2 . 7194 1 306 . 2 2 27 27 THR HG23 H 1 1.269 . . 1 . . . . 27 THR HG2 . 7194 1 307 . 2 2 27 27 THR CA C 13 61.682 . . 1 . . . . 27 THR CA . 7194 1 308 . 2 2 27 27 THR CB C 13 70.194 . . 1 . . . . 27 THR CB . 7194 1 309 . 2 2 27 27 THR CG2 C 13 21.319 . . 1 . . . . 27 THR CG2 . 7194 1 310 . 2 2 27 27 THR N N 15 108.273 . . 1 . . . . 27 THR N . 7194 1 311 . 2 2 28 28 GLN H H 1 8.264 . . 1 . . . . 28 GLN HN . 7194 1 312 . 2 2 28 28 GLN HA H 1 3.326 . . 1 . . . . 28 GLN HA . 7194 1 313 . 2 2 28 28 GLN HB2 H 1 2.168 . . 1 . . . . 28 GLN HB . 7194 1 314 . 2 2 28 28 GLN HB3 H 1 2.168 . . 1 . . . . 28 GLN HB . 7194 1 315 . 2 2 28 28 GLN HG2 H 1 2.152 . . 1 . . . . 28 GLN HG . 7194 1 316 . 2 2 28 28 GLN HG3 H 1 2.152 . . 1 . . . . 28 GLN HG . 7194 1 317 . 2 2 28 28 GLN HE21 H 1 7.187 . . 2 . . . . 28 GLN HE21 . 7194 1 318 . 2 2 28 28 GLN HE22 H 1 6.574 . . 2 . . . . 28 GLN HE22 . 7194 1 319 . 2 2 28 28 GLN CA C 13 57.570 . . 1 . . . . 28 GLN CA . 7194 1 320 . 2 2 28 28 GLN CB C 13 27.043 . . 1 . . . . 28 GLN CB . 7194 1 321 . 2 2 28 28 GLN CG C 13 34.230 . . 1 . . . . 28 GLN CG . 7194 1 322 . 2 2 28 28 GLN N N 15 116.023 . . 1 . . . . 28 GLN N . 7194 1 323 . 2 2 28 28 GLN NE2 N 15 112.666 . . 1 . . . . 28 GLN NE2 . 7194 1 324 . 2 2 29 29 GLN H H 1 8.041 . . 1 . . . . 29 GLN HN . 7194 1 325 . 2 2 29 29 GLN HA H 1 4.515 . . 1 . . . . 29 GLN HA . 7194 1 326 . 2 2 29 29 GLN HB2 H 1 1.890 . . 2 . . . . 29 GLN HB2 . 7194 1 327 . 2 2 29 29 GLN HB3 H 1 1.788 . . 2 . . . . 29 GLN HB3 . 7194 1 328 . 2 2 29 29 GLN HG2 H 1 2.335 . . 2 . . . . 29 GLN HG2 . 7194 1 329 . 2 2 29 29 GLN HG3 H 1 2.268 . . 2 . . . . 29 GLN HG3 . 7194 1 330 . 2 2 29 29 GLN HE21 H 1 7.528 . . 2 . . . . 29 GLN HE21 . 7194 1 331 . 2 2 29 29 GLN HE22 H 1 6.931 . . 2 . . . . 29 GLN HE22 . 7194 1 332 . 2 2 29 29 GLN CA C 13 54.499 . . 1 . . . . 29 GLN CA . 7194 1 333 . 2 2 29 29 GLN CB C 13 30.177 . . 1 . . . . 29 GLN CB . 7194 1 334 . 2 2 29 29 GLN CG C 13 33.901 . . 1 . . . . 29 GLN CG . 7194 1 335 . 2 2 29 29 GLN N N 15 118.621 . . 1 . . . . 29 GLN N . 7194 1 336 . 2 2 29 29 GLN NE2 N 15 112.666 . . 1 . . . . 29 GLN NE2 . 7194 1 337 . 2 2 30 30 LEU H H 1 8.815 . . 1 . . . . 30 LEU HN . 7194 1 338 . 2 2 30 30 LEU HA H 1 4.236 . . 1 . . . . 30 LEU HA . 7194 1 339 . 2 2 30 30 LEU HB2 H 1 1.557 . . 2 . . . . 30 LEU HB2 . 7194 1 340 . 2 2 30 30 LEU HB3 H 1 0.944 . . 2 . . . . 30 LEU HB3 . 7194 1 341 . 2 2 30 30 LEU HG H 1 1.513 . . 1 . . . . 30 LEU HG . 7194 1 342 . 2 2 30 30 LEU HD11 H 1 0.728 . . 2 . . . . 30 LEU HD1 . 7194 1 343 . 2 2 30 30 LEU HD12 H 1 0.728 . . 2 . . . . 30 LEU HD1 . 7194 1 344 . 2 2 30 30 LEU HD13 H 1 0.728 . . 2 . . . . 30 LEU HD1 . 7194 1 345 . 2 2 30 30 LEU HD21 H 1 0.490 . . 2 . . . . 30 LEU HD2 . 7194 1 346 . 2 2 30 30 LEU HD22 H 1 0.490 . . 2 . . . . 30 LEU HD2 . 7194 1 347 . 2 2 30 30 LEU HD23 H 1 0.490 . . 2 . . . . 30 LEU HD2 . 7194 1 348 . 2 2 30 30 LEU CA C 13 52.255 . . 1 . . . . 30 LEU CA . 7194 1 349 . 2 2 30 30 LEU CB C 13 42.139 . . 1 . . . . 30 LEU CB . 7194 1 350 . 2 2 30 30 LEU CG C 13 26.195 . . 1 . . . . 30 LEU CG . 7194 1 351 . 2 2 30 30 LEU CD1 C 13 25.737 . . 2 . . . . 30 LEU CD1 . 7194 1 352 . 2 2 30 30 LEU CD2 C 13 23.845 . . 2 . . . . 30 LEU CD2 . 7194 1 353 . 2 2 30 30 LEU N N 15 127.361 . . 1 . . . . 30 LEU N . 7194 1 354 . 2 2 31 31 PRO HA H 1 4.183 . . 1 . . . . 31 PRO HA . 7194 1 355 . 2 2 31 31 PRO HB2 H 1 1.820 . . 2 . . . . 31 PRO HB2 . 7194 1 356 . 2 2 31 31 PRO HB3 H 1 1.045 . . 2 . . . . 31 PRO HB3 . 7194 1 357 . 2 2 31 31 PRO HG2 H 1 1.462 . . 2 . . . . 31 PRO HG2 . 7194 1 358 . 2 2 31 31 PRO HG3 H 1 1.402 . . 2 . . . . 31 PRO HG3 . 7194 1 359 . 2 2 31 31 PRO HD2 H 1 3.673 . . 2 . . . . 31 PRO HD2 . 7194 1 360 . 2 2 31 31 PRO HD3 H 1 3.625 . . 2 . . . . 31 PRO HD3 . 7194 1 361 . 2 2 31 31 PRO CA C 13 63.874 . . 1 . . . . 31 PRO CA . 7194 1 362 . 2 2 31 31 PRO CB C 13 32.445 . . 1 . . . . 31 PRO CB . 7194 1 363 . 2 2 31 31 PRO CG C 13 26.573 . . 1 . . . . 31 PRO CG . 7194 1 364 . 2 2 31 31 PRO CD C 13 51.210 . . 1 . . . . 31 PRO CD . 7194 1 365 . 2 2 32 32 TYR H H 1 7.793 . . 1 . . . . 32 TYR HN . 7194 1 366 . 2 2 32 32 TYR HA H 1 4.594 . . 1 . . . . 32 TYR HA . 7194 1 367 . 2 2 32 32 TYR HB2 H 1 2.968 . . 2 . . . . 32 TYR HB2 . 7194 1 368 . 2 2 32 32 TYR HB3 H 1 2.743 . . 2 . . . . 32 TYR HB3 . 7194 1 369 . 2 2 32 32 TYR HD1 H 1 6.990 . . 3 . . . . 32 TYR HD1 . 7194 1 370 . 2 2 32 32 TYR HE1 H 1 6.868 . . 3 . . . . 32 TYR HE1 . 7194 1 371 . 2 2 32 32 TYR CA C 13 57.806 . . 1 . . . . 32 TYR CA . 7194 1 372 . 2 2 32 32 TYR CB C 13 37.713 . . 1 . . . . 32 TYR CB . 7194 1 373 . 2 2 32 32 TYR CD1 C 13 133.037 . . 3 . . . . 32 TYR CD1 . 7194 1 374 . 2 2 32 32 TYR CE1 C 13 117.946 . . 3 . . . . 32 TYR CE1 . 7194 1 375 . 2 2 32 32 TYR N N 15 116.003 . . 1 . . . . 32 TYR N . 7194 1 376 . 2 2 33 33 GLU H H 1 8.606 . . 1 . . . . 33 GLU HN . 7194 1 377 . 2 2 33 33 GLU HA H 1 4.666 . . 1 . . . . 33 GLU HA . 7194 1 378 . 2 2 33 33 GLU HB2 H 1 1.982 . . 2 . . . . 33 GLU HB2 . 7194 1 379 . 2 2 33 33 GLU HB3 H 1 1.871 . . 2 . . . . 33 GLU HB3 . 7194 1 380 . 2 2 33 33 GLU HG2 H 1 2.206 . . 2 . . . . 33 GLU HG2 . 7194 1 381 . 2 2 33 33 GLU HG3 H 1 2.112 . . 2 . . . . 33 GLU HG3 . 7194 1 382 . 2 2 33 33 GLU CA C 13 54.521 . . 1 . . . . 33 GLU CA . 7194 1 383 . 2 2 33 33 GLU CB C 13 31.879 . . 1 . . . . 33 GLU CB . 7194 1 384 . 2 2 33 33 GLU CG C 13 35.934 . . 1 . . . . 33 GLU CG . 7194 1 385 . 2 2 33 33 GLU N N 15 124.551 . . 1 . . . . 33 GLU N . 7194 1 386 . 2 2 34 34 CYS H H 1 8.521 . . 1 . . . . 34 CYS HN . 7194 1 387 . 2 2 34 34 CYS HA H 1 4.779 . . 1 . . . . 34 CYS HA . 7194 1 388 . 2 2 34 34 CYS HB2 H 1 3.240 . . 2 . . . . 34 CYS HB2 . 7194 1 389 . 2 2 34 34 CYS HB3 H 1 2.931 . . 2 . . . . 34 CYS HB3 . 7194 1 390 . 2 2 34 34 CYS CA C 13 57.714 . . 1 . . . . 34 CYS CA . 7194 1 391 . 2 2 34 34 CYS CB C 13 30.314 . . 1 . . . . 34 CYS CB . 7194 1 392 . 2 2 34 34 CYS N N 15 127.729 . . 1 . . . . 34 CYS N . 7194 1 393 . 2 2 35 35 PRO HA H 1 4.716 . . 1 . . . . 35 PRO HA . 7194 1 394 . 2 2 35 35 PRO HB2 H 1 2.221 . . 2 . . . . 35 PRO HB2 . 7194 1 395 . 2 2 35 35 PRO HB3 H 1 2.074 . . 2 . . . . 35 PRO HB3 . 7194 1 396 . 2 2 35 35 PRO HG2 H 1 2.160 . . 2 . . . . 35 PRO HG2 . 7194 1 397 . 2 2 35 35 PRO HG3 H 1 1.760 . . 2 . . . . 35 PRO HG3 . 7194 1 398 . 2 2 35 35 PRO HD2 H 1 4.522 . . 2 . . . . 35 PRO HD2 . 7194 1 399 . 2 2 35 35 PRO HD3 H 1 4.059 . . 2 . . . . 35 PRO HD3 . 7194 1 400 . 2 2 35 35 PRO CA C 13 63.350 . . 1 . . . . 35 PRO CA . 7194 1 401 . 2 2 35 35 PRO CB C 13 31.935 . . 1 . . . . 35 PRO CB . 7194 1 402 . 2 2 35 35 PRO CG C 13 26.501 . . 1 . . . . 35 PRO CG . 7194 1 403 . 2 2 35 35 PRO CD C 13 51.937 . . 1 . . . . 35 PRO CD . 7194 1 404 . 2 2 36 36 HIS H H 1 8.803 . . 1 . . . . 36 HIS HN . 7194 1 405 . 2 2 36 36 HIS HA H 1 4.125 . . 1 . . . . 36 HIS HA . 7194 1 406 . 2 2 36 36 HIS HB2 H 1 2.676 . . 1 . . . . 36 HIS HB . 7194 1 407 . 2 2 36 36 HIS HB3 H 1 2.676 . . 1 . . . . 36 HIS HB . 7194 1 408 . 2 2 36 36 HIS HD2 H 1 6.996 . . 1 . . . . 36 HIS HD2 . 7194 1 409 . 2 2 36 36 HIS HE1 H 1 8.406 . . 1 . . . . 36 HIS HE1 . 7194 1 410 . 2 2 36 36 HIS CA C 13 57.164 . . 1 . . . . 36 HIS CA . 7194 1 411 . 2 2 36 36 HIS CB C 13 29.273 . . 1 . . . . 36 HIS CB . 7194 1 412 . 2 2 36 36 HIS CD2 C 13 120.133 . . 1 . . . . 36 HIS CD2 . 7194 1 413 . 2 2 36 36 HIS CE1 C 13 136.435 . . 1 . . . . 36 HIS CE1 . 7194 1 414 . 2 2 36 36 HIS N N 15 124.088 . . 1 . . . . 36 HIS N . 7194 1 415 . 2 2 37 37 GLU H H 1 8.671 . . 1 . . . . 37 GLU HN . 7194 1 416 . 2 2 37 37 GLU HA H 1 4.044 . . 1 . . . . 37 GLU HA . 7194 1 417 . 2 2 37 37 GLU HB2 H 1 1.958 . . 2 . . . . 37 GLU HB2 . 7194 1 418 . 2 2 37 37 GLU HB3 H 1 1.879 . . 2 . . . . 37 GLU HB3 . 7194 1 419 . 2 2 37 37 GLU HG2 H 1 2.245 . . 1 . . . . 37 GLU HG . 7194 1 420 . 2 2 37 37 GLU HG3 H 1 2.245 . . 1 . . . . 37 GLU HG . 7194 1 421 . 2 2 37 37 GLU CA C 13 57.789 . . 1 . . . . 37 GLU CA . 7194 1 422 . 2 2 37 37 GLU CB C 13 29.088 . . 1 . . . . 37 GLU CB . 7194 1 423 . 2 2 37 37 GLU CG C 13 35.776 . . 1 . . . . 37 GLU CG . 7194 1 424 . 2 2 37 37 GLU N N 15 128.008 . . 1 . . . . 37 GLU N . 7194 1 425 . 2 2 38 38 GLY H H 1 9.095 . . 1 . . . . 38 GLY HN . 7194 1 426 . 2 2 38 38 GLY HA2 H 1 4.218 . . 2 . . . . 38 GLY HA1 . 7194 1 427 . 2 2 38 38 GLY HA3 H 1 3.759 . . 2 . . . . 38 GLY HA2 . 7194 1 428 . 2 2 38 38 GLY CA C 13 45.266 . . 1 . . . . 38 GLY CA . 7194 1 429 . 2 2 38 38 GLY N N 15 114.726 . . 1 . . . . 38 GLY N . 7194 1 430 . 2 2 39 39 CYS H H 1 7.907 . . 1 . . . . 39 CYS HN . 7194 1 431 . 2 2 39 39 CYS HA H 1 4.651 . . 1 . . . . 39 CYS HA . 7194 1 432 . 2 2 39 39 CYS HB2 H 1 3.332 . . 2 . . . . 39 CYS HB2 . 7194 1 433 . 2 2 39 39 CYS HB3 H 1 2.763 . . 2 . . . . 39 CYS HB3 . 7194 1 434 . 2 2 39 39 CYS CA C 13 59.480 . . 1 . . . . 39 CYS CA . 7194 1 435 . 2 2 39 39 CYS CB C 13 30.690 . . 1 . . . . 39 CYS CB . 7194 1 436 . 2 2 39 39 CYS N N 15 123.586 . . 1 . . . . 39 CYS N . 7194 1 437 . 2 2 40 40 ASP H H 1 8.556 . . 1 . . . . 40 ASP HN . 7194 1 438 . 2 2 40 40 ASP HA H 1 4.900 . . 1 . . . . 40 ASP HA . 7194 1 439 . 2 2 40 40 ASP HB2 H 1 2.827 . . 2 . . . . 40 ASP HB2 . 7194 1 440 . 2 2 40 40 ASP HB3 H 1 2.719 . . 2 . . . . 40 ASP HB3 . 7194 1 441 . 2 2 40 40 ASP CA C 13 53.099 . . 1 . . . . 40 ASP CA . 7194 1 442 . 2 2 40 40 ASP CB C 13 41.136 . . 1 . . . . 40 ASP CB . 7194 1 443 . 2 2 40 40 ASP N N 15 125.981 . . 1 . . . . 40 ASP N . 7194 1 444 . 2 2 41 41 LYS H H 1 8.128 . . 1 . . . . 41 LYS HN . 7194 1 445 . 2 2 41 41 LYS HA H 1 3.949 . . 1 . . . . 41 LYS HA . 7194 1 446 . 2 2 41 41 LYS HB2 H 1 1.431 . . 2 . . . . 41 LYS HB2 . 7194 1 447 . 2 2 41 41 LYS HB3 H 1 1.283 . . 2 . . . . 41 LYS HB3 . 7194 1 448 . 2 2 41 41 LYS HG2 H 1 1.479 . . 1 . . . . 41 LYS HG . 7194 1 449 . 2 2 41 41 LYS HG3 H 1 1.479 . . 1 . . . . 41 LYS HG . 7194 1 450 . 2 2 41 41 LYS HD2 H 1 1.582 . . 2 . . . . 41 LYS HD2 . 7194 1 451 . 2 2 41 41 LYS HD3 H 1 1.482 . . 2 . . . . 41 LYS HD3 . 7194 1 452 . 2 2 41 41 LYS HE2 H 1 3.124 . . 1 . . . . 41 LYS HE . 7194 1 453 . 2 2 41 41 LYS HE3 H 1 3.124 . . 1 . . . . 41 LYS HE . 7194 1 454 . 2 2 41 41 LYS CA C 13 57.397 . . 1 . . . . 41 LYS CA . 7194 1 455 . 2 2 41 41 LYS CB C 13 32.885 . . 1 . . . . 41 LYS CB . 7194 1 456 . 2 2 41 41 LYS CG C 13 26.182 . . 1 . . . . 41 LYS CG . 7194 1 457 . 2 2 41 41 LYS CD C 13 28.421 . . 1 . . . . 41 LYS CD . 7194 1 458 . 2 2 41 41 LYS CE C 13 42.640 . . 1 . . . . 41 LYS CE . 7194 1 459 . 2 2 41 41 LYS N N 15 121.324 . . 1 . . . . 41 LYS N . 7194 1 460 . 2 2 42 42 ARG H H 1 7.444 . . 1 . . . . 42 ARG HN . 7194 1 461 . 2 2 42 42 ARG HA H 1 5.076 . . 1 . . . . 42 ARG HA . 7194 1 462 . 2 2 42 42 ARG HB2 H 1 1.685 . . 2 . . . . 42 ARG HB2 . 7194 1 463 . 2 2 42 42 ARG HB3 H 1 1.355 . . 2 . . . . 42 ARG HB3 . 7194 1 464 . 2 2 42 42 ARG HG2 H 1 1.612 . . 1 . . . . 42 ARG HG2 . 7194 1 465 . 2 2 42 42 ARG HG3 H 1 1.307 . . 2 . . . . 42 ARG HG3 . 7194 1 466 . 2 2 42 42 ARG HD2 H 1 3.320 . . 2 . . . . 42 ARG HD2 . 7194 1 467 . 2 2 42 42 ARG HD3 H 1 3.115 . . 2 . . . . 42 ARG HD3 . 7194 1 468 . 2 2 42 42 ARG HE H 1 7.211 . . 1 . . . . 42 ARG HE . 7194 1 469 . 2 2 42 42 ARG CA C 13 54.007 . . 1 . . . . 42 ARG CA . 7194 1 470 . 2 2 42 42 ARG CB C 13 34.874 . . 1 . . . . 42 ARG CB . 7194 1 471 . 2 2 42 42 ARG CG C 13 27.678 . . 1 . . . . 42 ARG CG . 7194 1 472 . 2 2 42 42 ARG CD C 13 43.206 . . 1 . . . . 42 ARG CD . 7194 1 473 . 2 2 42 42 ARG N N 15 117.478 . . 1 . . . . 42 ARG N . 7194 1 474 . 2 2 42 42 ARG NE N 15 84.047 . . 1 . . . . 42 ARG NE . 7194 1 475 . 2 2 43 43 PHE H H 1 8.706 . . 1 . . . . 43 PHE HN . 7194 1 476 . 2 2 43 43 PHE HA H 1 4.916 . . 1 . . . . 43 PHE HA . 7194 1 477 . 2 2 43 43 PHE HB2 H 1 3.318 . . 2 . . . . 43 PHE HB2 . 7194 1 478 . 2 2 43 43 PHE HB3 H 1 2.585 . . 2 . . . . 43 PHE HB3 . 7194 1 479 . 2 2 43 43 PHE HD1 H 1 7.131 . . 3 . . . . 43 PHE HD1 . 7194 1 480 . 2 2 43 43 PHE HE1 H 1 7.019 . . 3 . . . . 43 PHE HE1 . 7194 1 481 . 2 2 43 43 PHE HZ H 1 6.356 . . 1 . . . . 43 PHE HZ . 7194 1 482 . 2 2 43 43 PHE CA C 13 56.864 . . 1 . . . . 43 PHE CA . 7194 1 483 . 2 2 43 43 PHE CB C 13 44.714 . . 1 . . . . 43 PHE CB . 7194 1 484 . 2 2 43 43 PHE CD1 C 13 132.294 . . 3 . . . . 43 PHE CD1 . 7194 1 485 . 2 2 43 43 PHE CE1 C 13 130.809 . . 3 . . . . 43 PHE CE1 . 7194 1 486 . 2 2 43 43 PHE CZ C 13 130.155 . . 1 . . . . 43 PHE CZ . 7194 1 487 . 2 2 43 43 PHE N N 15 114.384 . . 1 . . . . 43 PHE N . 7194 1 488 . 2 2 44 44 SER H H 1 9.325 . . 1 . . . . 44 SER HN . 7194 1 489 . 2 2 44 44 SER HA H 1 4.336 . . 1 . . . . 44 SER HA . 7194 1 490 . 2 2 44 44 SER HB2 H 1 3.914 . . 2 . . . . 44 SER HB2 . 7194 1 491 . 2 2 44 44 SER HB3 H 1 3.673 . . 2 . . . . 44 SER HB3 . 7194 1 492 . 2 2 44 44 SER CA C 13 59.193 . . 1 . . . . 44 SER CA . 7194 1 493 . 2 2 44 44 SER CB C 13 63.619 . . 1 . . . . 44 SER CB . 7194 1 494 . 2 2 44 44 SER N N 15 114.505 . . 1 . . . . 44 SER N . 7194 1 495 . 2 2 45 45 LEU H H 1 6.615 . . 1 . . . . 45 LEU HN . 7194 1 496 . 2 2 45 45 LEU HA H 1 5.034 . . 1 . . . . 45 LEU HA . 7194 1 497 . 2 2 45 45 LEU HB2 H 1 1.699 . . 2 . . . . 45 LEU HB2 . 7194 1 498 . 2 2 45 45 LEU HB3 H 1 1.354 . . 2 . . . . 45 LEU HB3 . 7194 1 499 . 2 2 45 45 LEU HG H 1 1.745 . . 1 . . . . 45 LEU HG . 7194 1 500 . 2 2 45 45 LEU HD11 H 1 0.923 . . 2 . . . . 45 LEU HD1 . 7194 1 501 . 2 2 45 45 LEU HD12 H 1 0.923 . . 2 . . . . 45 LEU HD1 . 7194 1 502 . 2 2 45 45 LEU HD13 H 1 0.923 . . 2 . . . . 45 LEU HD1 . 7194 1 503 . 2 2 45 45 LEU HD21 H 1 1.080 . . 2 . . . . 45 LEU HD2 . 7194 1 504 . 2 2 45 45 LEU HD22 H 1 1.080 . . 2 . . . . 45 LEU HD2 . 7194 1 505 . 2 2 45 45 LEU HD23 H 1 1.080 . . 2 . . . . 45 LEU HD2 . 7194 1 506 . 2 2 45 45 LEU CA C 13 51.663 . . 1 . . . . 45 LEU CA . 7194 1 507 . 2 2 45 45 LEU CB C 13 46.779 . . 1 . . . . 45 LEU CB . 7194 1 508 . 2 2 45 45 LEU CG C 13 26.676 . . 1 . . . . 45 LEU CG . 7194 1 509 . 2 2 45 45 LEU CD1 C 13 25.818 . . 2 . . . . 45 LEU CD1 . 7194 1 510 . 2 2 45 45 LEU CD2 C 13 23.998 . . 2 . . . . 45 LEU CD2 . 7194 1 511 . 2 2 45 45 LEU N N 15 117.548 . . 1 . . . . 45 LEU N . 7194 1 512 . 2 2 46 46 PRO HA H 1 3.467 . . 1 . . . . 46 PRO HA . 7194 1 513 . 2 2 46 46 PRO HB2 H 1 2.002 . . 2 . . . . 46 PRO HB2 . 7194 1 514 . 2 2 46 46 PRO HB3 H 1 1.826 . . 2 . . . . 46 PRO HB3 . 7194 1 515 . 2 2 46 46 PRO HG2 H 1 2.018 . . 2 . . . . 46 PRO HG2 . 7194 1 516 . 2 2 46 46 PRO HG3 H 1 1.590 . . 2 . . . . 46 PRO HG3 . 7194 1 517 . 2 2 46 46 PRO HD2 H 1 3.791 . . 2 . . . . 46 PRO HD2 . 7194 1 518 . 2 2 46 46 PRO HD3 H 1 3.368 . . 2 . . . . 46 PRO HD3 . 7194 1 519 . 2 2 46 46 PRO CA C 13 64.423 . . 1 . . . . 46 PRO CA . 7194 1 520 . 2 2 46 46 PRO CB C 13 31.114 . . 1 . . . . 46 PRO CB . 7194 1 521 . 2 2 46 46 PRO CG C 13 26.688 . . 1 . . . . 46 PRO CG . 7194 1 522 . 2 2 46 46 PRO CD C 13 50.174 . . 1 . . . . 46 PRO CD . 7194 1 523 . 2 2 47 47 SER H H 1 8.331 . . 1 . . . . 47 SER HN . 7194 1 524 . 2 2 47 47 SER HA H 1 3.999 . . 1 . . . . 47 SER HA . 7194 1 525 . 2 2 47 47 SER HB2 H 1 3.953 . . 2 . . . . 47 SER HB2 . 7194 1 526 . 2 2 47 47 SER HB3 H 1 3.878 . . 2 . . . . 47 SER HB3 . 7194 1 527 . 2 2 47 47 SER CA C 13 60.056 . . 1 . . . . 47 SER CA . 7194 1 528 . 2 2 47 47 SER CB C 13 60.966 . . 1 . . . . 47 SER CB . 7194 1 529 . 2 2 47 47 SER N N 15 113.550 . . 1 . . . . 47 SER N . 7194 1 530 . 2 2 48 48 ARG H H 1 6.603 . . 1 . . . . 48 ARG HN . 7194 1 531 . 2 2 48 48 ARG HA H 1 4.037 . . 1 . . . . 48 ARG HA . 7194 1 532 . 2 2 48 48 ARG HB2 H 1 1.965 . . 1 . . . . 48 ARG HB . 7194 1 533 . 2 2 48 48 ARG HB3 H 1 1.965 . . 1 . . . . 48 ARG HB . 7194 1 534 . 2 2 48 48 ARG HG2 H 1 1.927 . . 2 . . . . 48 ARG HG2 . 7194 1 535 . 2 2 48 48 ARG HG3 H 1 1.582 . . 2 . . . . 48 ARG HG3 . 7194 1 536 . 2 2 48 48 ARG HD2 H 1 3.369 . . 2 . . . . 48 ARG HD2 . 7194 1 537 . 2 2 48 48 ARG HD3 H 1 3.228 . . 2 . . . . 48 ARG HD3 . 7194 1 538 . 2 2 48 48 ARG HE H 1 7.634 . . 1 . . . . 48 ARG HE . 7194 1 539 . 2 2 48 48 ARG CA C 13 57.349 . . 1 . . . . 48 ARG CA . 7194 1 540 . 2 2 48 48 ARG CB C 13 30.107 . . 1 . . . . 48 ARG CB . 7194 1 541 . 2 2 48 48 ARG CG C 13 28.123 . . 1 . . . . 48 ARG CG . 7194 1 542 . 2 2 48 48 ARG CD C 13 42.841 . . 1 . . . . 48 ARG CD . 7194 1 543 . 2 2 48 48 ARG N N 15 123.244 . . 1 . . . . 48 ARG N . 7194 1 544 . 2 2 48 48 ARG NE N 15 84.768 . . 1 . . . . 48 ARG NE . 7194 1 545 . 2 2 49 49 LEU H H 1 7.013 . . 1 . . . . 49 LEU HN . 7194 1 546 . 2 2 49 49 LEU HA H 1 3.319 . . 1 . . . . 49 LEU HA . 7194 1 547 . 2 2 49 49 LEU HB2 H 1 1.848 . . 2 . . . . 49 LEU HB2 . 7194 1 548 . 2 2 49 49 LEU HB3 H 1 1.246 . . 2 . . . . 49 LEU HB3 . 7194 1 549 . 2 2 49 49 LEU HG H 1 1.637 . . 1 . . . . 49 LEU HG . 7194 1 550 . 2 2 49 49 LEU HD11 H 1 1.078 . . 2 . . . . 49 LEU HD1 . 7194 1 551 . 2 2 49 49 LEU HD12 H 1 1.078 . . 2 . . . . 49 LEU HD1 . 7194 1 552 . 2 2 49 49 LEU HD13 H 1 1.078 . . 2 . . . . 49 LEU HD1 . 7194 1 553 . 2 2 49 49 LEU HD21 H 1 1.174 . . 2 . . . . 49 LEU HD2 . 7194 1 554 . 2 2 49 49 LEU HD22 H 1 1.174 . . 2 . . . . 49 LEU HD2 . 7194 1 555 . 2 2 49 49 LEU HD23 H 1 1.174 . . 2 . . . . 49 LEU HD2 . 7194 1 556 . 2 2 49 49 LEU CA C 13 57.594 . . 1 . . . . 49 LEU CA . 7194 1 557 . 2 2 49 49 LEU CB C 13 40.249 . . 1 . . . . 49 LEU CB . 7194 1 558 . 2 2 49 49 LEU CG C 13 27.207 . . 1 . . . . 49 LEU CG . 7194 1 559 . 2 2 49 49 LEU CD1 C 13 26.500 . . 2 . . . . 49 LEU CD1 . 7194 1 560 . 2 2 49 49 LEU CD2 C 13 23.203 . . 2 . . . . 49 LEU CD2 . 7194 1 561 . 2 2 49 49 LEU N N 15 121.558 . . 1 . . . . 49 LEU N . 7194 1 562 . 2 2 50 50 LYS H H 1 7.944 . . 1 . . . . 50 LYS HN . 7194 1 563 . 2 2 50 50 LYS HA H 1 4.008 . . 1 . . . . 50 LYS HA . 7194 1 564 . 2 2 50 50 LYS HB2 H 1 1.723 . . 1 . . . . 50 LYS HB . 7194 1 565 . 2 2 50 50 LYS HB3 H 1 1.723 . . 1 . . . . 50 LYS HB . 7194 1 566 . 2 2 50 50 LYS HG2 H 1 1.443 . . 2 . . . . 50 LYS HG2 . 7194 1 567 . 2 2 50 50 LYS HG3 H 1 1.351 . . 2 . . . . 50 LYS HG3 . 7194 1 568 . 2 2 50 50 LYS HD2 H 1 1.614 . . 1 . . . . 50 LYS HD . 7194 1 569 . 2 2 50 50 LYS HD3 H 1 1.614 . . 1 . . . . 50 LYS HD . 7194 1 570 . 2 2 50 50 LYS CA C 13 59.243 . . 1 . . . . 50 LYS CA . 7194 1 571 . 2 2 50 50 LYS CB C 13 32.071 . . 1 . . . . 50 LYS CB . 7194 1 572 . 2 2 50 50 LYS CG C 13 24.757 . . 1 . . . . 50 LYS CG . 7194 1 573 . 2 2 50 50 LYS CD C 13 29.204 . . 1 . . . . 50 LYS CD . 7194 1 574 . 2 2 50 50 LYS N N 15 118.973 . . 1 . . . . 50 LYS N . 7194 1 575 . 2 2 51 51 ARG H H 1 7.464 . . 1 . . . . 51 ARG HN . 7194 1 576 . 2 2 51 51 ARG HA H 1 4.076 . . 1 . . . . 51 ARG HA . 7194 1 577 . 2 2 51 51 ARG HB2 H 1 1.965 . . 2 . . . . 51 ARG HB2 . 7194 1 578 . 2 2 51 51 ARG HB3 H 1 1.741 . . 2 . . . . 51 ARG HB3 . 7194 1 579 . 2 2 51 51 ARG HG2 H 1 1.634 . . 1 . . . . 51 ARG HG . 7194 1 580 . 2 2 51 51 ARG HG3 H 1 1.634 . . 1 . . . . 51 ARG HG . 7194 1 581 . 2 2 51 51 ARG HD2 H 1 3.238 . . 1 . . . . 51 ARG HD . 7194 1 582 . 2 2 51 51 ARG HD3 H 1 3.238 . . 1 . . . . 51 ARG HD . 7194 1 583 . 2 2 51 51 ARG HE H 1 7.242 . . 1 . . . . 51 ARG HE . 7194 1 584 . 2 2 51 51 ARG CA C 13 59.107 . . 1 . . . . 51 ARG CA . 7194 1 585 . 2 2 51 51 ARG CB C 13 30.211 . . 1 . . . . 51 ARG CB . 7194 1 586 . 2 2 51 51 ARG CG C 13 27.207 . . 1 . . . . 51 ARG CG . 7194 1 587 . 2 2 51 51 ARG CD C 13 44.037 . . 1 . . . . 51 ARG CD . 7194 1 588 . 2 2 51 51 ARG N N 15 118.402 . . 1 . . . . 51 ARG N . 7194 1 589 . 2 2 51 51 ARG NE N 15 85.286 . . 1 . . . . 51 ARG NE . 7194 1 590 . 2 2 52 52 HIS H H 1 7.459 . . 1 . . . . 52 HIS HN . 7194 1 591 . 2 2 52 52 HIS HA H 1 4.371 . . 1 . . . . 52 HIS HA . 7194 1 592 . 2 2 52 52 HIS HB2 H 1 3.167 . . 2 . . . . 52 HIS HB2 . 7194 1 593 . 2 2 52 52 HIS HB3 H 1 2.919 . . 2 . . . . 52 HIS HB3 . 7194 1 594 . 2 2 52 52 HIS HD1 H 1 13.076 . . 1 . . . . 52 HIS HD1 . 7194 1 595 . 2 2 52 52 HIS HD2 H 1 7.202 . . 1 . . . . 52 HIS HD2 . 7194 1 596 . 2 2 52 52 HIS HE1 H 1 8.090 . . 1 . . . . 52 HIS HE1 . 7194 1 597 . 2 2 52 52 HIS CA C 13 58.677 . . 1 . . . . 52 HIS CA . 7194 1 598 . 2 2 52 52 HIS CB C 13 28.361 . . 1 . . . . 52 HIS CB . 7194 1 599 . 2 2 52 52 HIS CD2 C 13 127.576 . . 1 . . . . 52 HIS CD2 . 7194 1 600 . 2 2 52 52 HIS CE1 C 13 140.146 . . 1 . . . . 52 HIS CE1 . 7194 1 601 . 2 2 52 52 HIS N N 15 118.302 . . 1 . . . . 52 HIS N . 7194 1 602 . 2 2 52 52 HIS ND1 N 15 174.154 . . 1 . . . . 52 HIS ND1 . 7194 1 603 . 2 2 53 53 GLU H H 1 8.369 . . 1 . . . . 53 GLU HN . 7194 1 604 . 2 2 53 53 GLU HA H 1 3.642 . . 1 . . . . 53 GLU HA . 7194 1 605 . 2 2 53 53 GLU HB2 H 1 2.207 . . 1 . . . . 53 GLU HB . 7194 1 606 . 2 2 53 53 GLU HB3 H 1 2.207 . . 1 . . . . 53 GLU HB . 7194 1 607 . 2 2 53 53 GLU HG2 H 1 2.792 . . 2 . . . . 53 GLU HG2 . 7194 1 608 . 2 2 53 53 GLU HG3 H 1 2.583 . . 2 . . . . 53 GLU HG3 . 7194 1 609 . 2 2 53 53 GLU CA C 13 60.037 . . 1 . . . . 53 GLU CA . 7194 1 610 . 2 2 53 53 GLU CB C 13 28.980 . . 1 . . . . 53 GLU CB . 7194 1 611 . 2 2 53 53 GLU CG C 13 36.459 . . 1 . . . . 53 GLU CG . 7194 1 612 . 2 2 53 53 GLU N N 15 117.118 . . 1 . . . . 53 GLU N . 7194 1 613 . 2 2 54 54 LYS H H 1 7.091 . . 1 . . . . 54 LYS HN . 7194 1 614 . 2 2 54 54 LYS HA H 1 3.940 . . 1 . . . . 54 LYS HA . 7194 1 615 . 2 2 54 54 LYS CA C 13 59.825 . . 1 . . . . 54 LYS CA . 7194 1 616 . 2 2 54 54 LYS N N 15 116.802 . . 1 . . . . 54 LYS N . 7194 1 617 . 2 2 55 55 VAL H H 1 7.973 . . 1 . . . . 55 VAL HN . 7194 1 618 . 2 2 55 55 VAL HA H 1 3.949 . . 1 . . . . 55 VAL HA . 7194 1 619 . 2 2 55 55 VAL HB H 1 2.039 . . 1 . . . . 55 VAL HB . 7194 1 620 . 2 2 55 55 VAL HG11 H 1 0.902 . . 2 . . . . 55 VAL HG1 . 7194 1 621 . 2 2 55 55 VAL HG12 H 1 0.902 . . 2 . . . . 55 VAL HG1 . 7194 1 622 . 2 2 55 55 VAL HG13 H 1 0.902 . . 2 . . . . 55 VAL HG1 . 7194 1 623 . 2 2 55 55 VAL HG21 H 1 0.988 . . 2 . . . . 55 VAL HG2 . 7194 1 624 . 2 2 55 55 VAL HG22 H 1 0.988 . . 2 . . . . 55 VAL HG2 . 7194 1 625 . 2 2 55 55 VAL HG23 H 1 0.988 . . 2 . . . . 55 VAL HG2 . 7194 1 626 . 2 2 55 55 VAL CA C 13 64.600 . . 1 . . . . 55 VAL CA . 7194 1 627 . 2 2 55 55 VAL CB C 13 31.368 . . 1 . . . . 55 VAL CB . 7194 1 628 . 2 2 55 55 VAL CG1 C 13 20.879 . . 2 . . . . 55 VAL CG1 . 7194 1 629 . 2 2 55 55 VAL CG2 C 13 20.551 . . 2 . . . . 55 VAL CG2 . 7194 1 630 . 2 2 55 55 VAL N N 15 116.960 . . 1 . . . . 55 VAL N . 7194 1 631 . 2 2 56 56 HIS H H 1 6.812 . . 1 . . . . 56 HIS HN . 7194 1 632 . 2 2 56 56 HIS HA H 1 4.258 . . 1 . . . . 56 HIS HA . 7194 1 633 . 2 2 56 56 HIS HB2 H 1 2.678 . . 1 . . . . 56 HIS HB . 7194 1 634 . 2 2 56 56 HIS HB3 H 1 2.678 . . 1 . . . . 56 HIS HB . 7194 1 635 . 2 2 56 56 HIS HD2 H 1 6.306 . . 1 . . . . 56 HIS HD2 . 7194 1 636 . 2 2 56 56 HIS HE1 H 1 7.970 . . 1 . . . . 56 HIS HE1 . 7194 1 637 . 2 2 56 56 HIS CA C 13 56.511 . . 1 . . . . 56 HIS CA . 7194 1 638 . 2 2 56 56 HIS CB C 13 27.600 . . 1 . . . . 56 HIS CB . 7194 1 639 . 2 2 56 56 HIS CD2 C 13 127.376 . . 1 . . . . 56 HIS CD2 . 7194 1 640 . 2 2 56 56 HIS CE1 C 13 139.347 . . 1 . . . . 56 HIS CE1 . 7194 1 641 . 2 2 56 56 HIS N N 15 115.817 . . 1 . . . . 56 HIS N . 7194 1 642 . 2 2 57 57 ALA H H 1 7.284 . . 1 . . . . 57 ALA HN . 7194 1 643 . 2 2 57 57 ALA HA H 1 4.223 . . 1 . . . . 57 ALA HA . 7194 1 644 . 2 2 57 57 ALA HB1 H 1 1.404 . . 1 . . . . 57 ALA HB . 7194 1 645 . 2 2 57 57 ALA HB2 H 1 1.404 . . 1 . . . . 57 ALA HB . 7194 1 646 . 2 2 57 57 ALA HB3 H 1 1.404 . . 1 . . . . 57 ALA HB . 7194 1 647 . 2 2 57 57 ALA CA C 13 53.039 . . 1 . . . . 57 ALA CA . 7194 1 648 . 2 2 57 57 ALA CB C 13 18.810 . . 1 . . . . 57 ALA CB . 7194 1 649 . 2 2 57 57 ALA N N 15 121.126 . . 1 . . . . 57 ALA N . 7194 1 650 . 2 2 58 58 GLY H H 1 6.937 . . 1 . . . . 58 GLY HN . 7194 1 651 . 2 2 58 58 GLY HA2 H 1 3.924 . . 2 . . . . 58 GLY HA1 . 7194 1 652 . 2 2 58 58 GLY HA3 H 1 3.668 . . 2 . . . . 58 GLY HA2 . 7194 1 653 . 2 2 58 58 GLY CA C 13 43.822 . . 1 . . . . 58 GLY CA . 7194 1 654 . 2 2 58 58 GLY N N 15 103.511 . . 1 . . . . 58 GLY N . 7194 1 655 . 2 2 59 59 TYR H H 1 8.081 . . 1 . . . . 59 TYR HN . 7194 1 656 . 2 2 59 59 TYR HA H 1 4.669 . . 1 . . . . 59 TYR HA . 7194 1 657 . 2 2 59 59 TYR HB2 H 1 2.643 . . 2 . . . . 59 TYR HB2 . 7194 1 658 . 2 2 59 59 TYR HB3 H 1 2.414 . . 2 . . . . 59 TYR HB3 . 7194 1 659 . 2 2 59 59 TYR HD1 H 1 6.960 . . 3 . . . . 59 TYR HD1 . 7194 1 660 . 2 2 59 59 TYR HE1 H 1 6.854 . . 3 . . . . 59 TYR HE1 . 7194 1 661 . 2 2 59 59 TYR CA C 13 55.633 . . 1 . . . . 59 TYR CA . 7194 1 662 . 2 2 59 59 TYR CB C 13 38.309 . . 1 . . . . 59 TYR CB . 7194 1 663 . 2 2 59 59 TYR CD1 C 13 133.046 . . 3 . . . . 59 TYR CD1 . 7194 1 664 . 2 2 59 59 TYR CE1 C 13 118.360 . . 3 . . . . 59 TYR CE1 . 7194 1 665 . 2 2 59 59 TYR N N 15 116.133 . . 1 . . . . 59 TYR N . 7194 1 666 . 2 2 60 60 PRO HA H 1 4.799 . . 1 . . . . 60 PRO HA . 7194 1 667 . 2 2 60 60 PRO HB2 H 1 2.277 . . 2 . . . . 60 PRO HB2 . 7194 1 668 . 2 2 60 60 PRO HB3 H 1 1.865 . . 2 . . . . 60 PRO HB3 . 7194 1 669 . 2 2 60 60 PRO HG2 H 1 1.991 . . 2 . . . . 60 PRO HG2 . 7194 1 670 . 2 2 60 60 PRO HG3 H 1 1.912 . . 2 . . . . 60 PRO HG3 . 7194 1 671 . 2 2 60 60 PRO HD2 H 1 3.607 . . 2 . . . . 60 PRO HD2 . 7194 1 672 . 2 2 60 60 PRO HD3 H 1 3.491 . . 2 . . . . 60 PRO HD3 . 7194 1 673 . 2 2 60 60 PRO CA C 13 62.073 . . 1 . . . . 60 PRO CA . 7194 1 674 . 2 2 60 60 PRO CB C 13 32.328 . . 1 . . . . 60 PRO CB . 7194 1 675 . 2 2 60 60 PRO CG C 13 27.194 . . 1 . . . . 60 PRO CG . 7194 1 676 . 2 2 60 60 PRO CD C 13 50.706 . . 1 . . . . 60 PRO CD . 7194 1 677 . 2 2 61 61 CYS H H 1 8.326 . . 1 . . . . 61 CYS HN . 7194 1 678 . 2 2 61 61 CYS HA H 1 4.570 . . 1 . . . . 61 CYS HA . 7194 1 679 . 2 2 61 61 CYS HB2 H 1 3.310 . . 2 . . . . 61 CYS HB2 . 7194 1 680 . 2 2 61 61 CYS HB3 H 1 3.084 . . 2 . . . . 61 CYS HB3 . 7194 1 681 . 2 2 61 61 CYS CA C 13 61.474 . . 1 . . . . 61 CYS CA . 7194 1 682 . 2 2 61 61 CYS CB C 13 30.456 . . 1 . . . . 61 CYS CB . 7194 1 683 . 2 2 61 61 CYS N N 15 123.676 . . 1 . . . . 61 CYS N . 7194 1 684 . 2 2 62 62 LYS H H 1 8.182 . . 1 . . . . 62 LYS HN . 7194 1 685 . 2 2 62 62 LYS HA H 1 4.765 . . 1 . . . . 62 LYS HA . 7194 1 686 . 2 2 62 62 LYS HB2 H 1 2.188 . . 2 . . . . 62 LYS HB2 . 7194 1 687 . 2 2 62 62 LYS HB3 H 1 1.671 . . 2 . . . . 62 LYS HB3 . 7194 1 688 . 2 2 62 62 LYS HG2 H 1 1.544 . . 2 . . . . 62 LYS HG2 . 7194 1 689 . 2 2 62 62 LYS HG3 H 1 1.450 . . 2 . . . . 62 LYS HG3 . 7194 1 690 . 2 2 62 62 LYS HD2 H 1 1.751 . . 2 . . . . 62 LYS HD2 . 7194 1 691 . 2 2 62 62 LYS HD3 H 1 1.675 . . 2 . . . . 62 LYS HD3 . 7194 1 692 . 2 2 62 62 LYS HE2 H 1 2.988 . . 1 . . . . 62 LYS HE . 7194 1 693 . 2 2 62 62 LYS HE3 H 1 2.988 . . 1 . . . . 62 LYS HE . 7194 1 694 . 2 2 62 62 LYS CA C 13 54.651 . . 1 . . . . 62 LYS CA . 7194 1 695 . 2 2 62 62 LYS CB C 13 32.263 . . 1 . . . . 62 LYS CB . 7194 1 696 . 2 2 62 62 LYS CG C 13 24.038 . . 1 . . . . 62 LYS CG . 7194 1 697 . 2 2 62 62 LYS CD C 13 28.285 . . 1 . . . . 62 LYS CD . 7194 1 698 . 2 2 62 62 LYS CE C 13 41.650 . . 1 . . . . 62 LYS CE . 7194 1 699 . 2 2 62 62 LYS N N 15 126.970 . . 1 . . . . 62 LYS N . 7194 1 700 . 2 2 63 63 LYS H H 1 8.799 . . 1 . . . . 63 LYS HN . 7194 1 701 . 2 2 63 63 LYS HA H 1 4.085 . . 1 . . . . 63 LYS HA . 7194 1 702 . 2 2 63 63 LYS HB2 H 1 1.315 . . 2 . . . . 63 LYS HB2 . 7194 1 703 . 2 2 63 63 LYS HB3 H 1 0.825 . . 2 . . . . 63 LYS HB3 . 7194 1 704 . 2 2 63 63 LYS HG2 H 1 1.606 . . 2 . . . . 63 LYS HG2 . 7194 1 705 . 2 2 63 63 LYS HG3 H 1 1.151 . . 2 . . . . 63 LYS HG3 . 7194 1 706 . 2 2 63 63 LYS HD2 H 1 1.622 . . 2 . . . . 63 LYS HD2 . 7194 1 707 . 2 2 63 63 LYS HD3 H 1 1.596 . . 2 . . . . 63 LYS HD3 . 7194 1 708 . 2 2 63 63 LYS HE2 H 1 2.971 . . 2 . . . . 63 LYS HE2 . 7194 1 709 . 2 2 63 63 LYS HE3 H 1 2.862 . . 2 . . . . 63 LYS HE3 . 7194 1 710 . 2 2 63 63 LYS CA C 13 56.044 . . 1 . . . . 63 LYS CA . 7194 1 711 . 2 2 63 63 LYS CB C 13 31.281 . . 1 . . . . 63 LYS CB . 7194 1 712 . 2 2 63 63 LYS CG C 13 25.086 . . 1 . . . . 63 LYS CG . 7194 1 713 . 2 2 63 63 LYS CD C 13 27.226 . . 1 . . . . 63 LYS CD . 7194 1 714 . 2 2 63 63 LYS CE C 13 41.636 . . 1 . . . . 63 LYS CE . 7194 1 715 . 2 2 63 63 LYS N N 15 121.319 . . 1 . . . . 63 LYS N . 7194 1 716 . 2 2 64 64 ASP H H 1 7.285 . . 1 . . . . 64 ASP HN . 7194 1 717 . 2 2 64 64 ASP HA H 1 4.659 . . 1 . . . . 64 ASP HA . 7194 1 718 . 2 2 64 64 ASP HB2 H 1 2.532 . . 2 . . . . 64 ASP HB2 . 7194 1 719 . 2 2 64 64 ASP HB3 H 1 2.474 . . 2 . . . . 64 ASP HB3 . 7194 1 720 . 2 2 64 64 ASP CA C 13 53.329 . . 1 . . . . 64 ASP CA . 7194 1 721 . 2 2 64 64 ASP CB C 13 44.414 . . 1 . . . . 64 ASP CB . 7194 1 722 . 2 2 64 64 ASP N N 15 116.641 . . 1 . . . . 64 ASP N . 7194 1 723 . 2 2 65 65 ASP H H 1 8.949 . . 1 . . . . 65 ASP HN . 7194 1 724 . 2 2 65 65 ASP HA H 1 4.498 . . 1 . . . . 65 ASP HA . 7194 1 725 . 2 2 65 65 ASP HB2 H 1 2.747 . . 1 . . . . 65 ASP HB . 7194 1 726 . 2 2 65 65 ASP HB3 H 1 2.747 . . 1 . . . . 65 ASP HB . 7194 1 727 . 2 2 65 65 ASP CA C 13 56.276 . . 1 . . . . 65 ASP CA . 7194 1 728 . 2 2 65 65 ASP CB C 13 40.543 . . 1 . . . . 65 ASP CB . 7194 1 729 . 2 2 65 65 ASP N N 15 125.656 . . 1 . . . . 65 ASP N . 7194 1 730 . 2 2 66 66 SER H H 1 8.922 . . 1 . . . . 66 SER HN . 7194 1 731 . 2 2 66 66 SER HA H 1 4.547 . . 1 . . . . 66 SER HA . 7194 1 732 . 2 2 66 66 SER HB2 H 1 3.997 . . 2 . . . . 66 SER HB2 . 7194 1 733 . 2 2 66 66 SER HB3 H 1 3.912 . . 2 . . . . 66 SER HB3 . 7194 1 734 . 2 2 66 66 SER CA C 13 58.519 . . 1 . . . . 66 SER CA . 7194 1 735 . 2 2 66 66 SER CB C 13 64.075 . . 1 . . . . 66 SER CB . 7194 1 736 . 2 2 66 66 SER N N 15 114.354 . . 1 . . . . 66 SER N . 7194 1 737 . 2 2 67 67 CYS H H 1 8.093 . . 1 . . . . 67 CYS HN . 7194 1 738 . 2 2 67 67 CYS HA H 1 4.535 . . 1 . . . . 67 CYS HA . 7194 1 739 . 2 2 67 67 CYS HB2 H 1 3.451 . . 2 . . . . 67 CYS HB2 . 7194 1 740 . 2 2 67 67 CYS HB3 H 1 3.113 . . 2 . . . . 67 CYS HB3 . 7194 1 741 . 2 2 67 67 CYS CA C 13 60.048 . . 1 . . . . 67 CYS CA . 7194 1 742 . 2 2 67 67 CYS CB C 13 29.979 . . 1 . . . . 67 CYS CB . 7194 1 743 . 2 2 67 67 CYS N N 15 126.835 . . 1 . . . . 67 CYS N . 7194 1 744 . 2 2 68 68 SER H H 1 8.933 . . 1 . . . . 68 SER HN . 7194 1 745 . 2 2 68 68 SER HA H 1 4.777 . . 1 . . . . 68 SER HA . 7194 1 746 . 2 2 68 68 SER HB2 H 1 4.129 . . 2 . . . . 68 SER HB2 . 7194 1 747 . 2 2 68 68 SER HB3 H 1 3.929 . . 2 . . . . 68 SER HB3 . 7194 1 748 . 2 2 68 68 SER CA C 13 57.732 . . 1 . . . . 68 SER CA . 7194 1 749 . 2 2 68 68 SER CB C 13 63.856 . . 1 . . . . 68 SER CB . 7194 1 750 . 2 2 68 68 SER N N 15 123.696 . . 1 . . . . 68 SER N . 7194 1 751 . 2 2 69 69 PHE H H 1 8.583 . . 1 . . . . 69 PHE HN . 7194 1 752 . 2 2 69 69 PHE HA H 1 4.130 . . 1 . . . . 69 PHE HA . 7194 1 753 . 2 2 69 69 PHE HB2 H 1 2.862 . . 2 . . . . 69 PHE HB2 . 7194 1 754 . 2 2 69 69 PHE HB3 H 1 2.522 . . 2 . . . . 69 PHE HB3 . 7194 1 755 . 2 2 69 69 PHE HD1 H 1 6.841 . . 3 . . . . 69 PHE HD1 . 7194 1 756 . 2 2 69 69 PHE HE1 H 1 7.137 . . 3 . . . . 69 PHE HE1 . 7194 1 757 . 2 2 69 69 PHE HZ H 1 7.085 . . 1 . . . . 69 PHE HZ . 7194 1 758 . 2 2 69 69 PHE CA C 13 59.957 . . 1 . . . . 69 PHE CA . 7194 1 759 . 2 2 69 69 PHE CB C 13 40.596 . . 1 . . . . 69 PHE CB . 7194 1 760 . 2 2 69 69 PHE CD1 C 13 131.939 . . 3 . . . . 69 PHE CD1 . 7194 1 761 . 2 2 69 69 PHE CE1 C 13 130.799 . . 3 . . . . 69 PHE CE1 . 7194 1 762 . 2 2 69 69 PHE CZ C 13 128.972 . . 1 . . . . 69 PHE CZ . 7194 1 763 . 2 2 69 69 PHE N N 15 125.992 . . 1 . . . . 69 PHE N . 7194 1 764 . 2 2 70 70 VAL H H 1 7.688 . . 1 . . . . 70 VAL HN . 7194 1 765 . 2 2 70 70 VAL HA H 1 3.891 . . 1 . . . . 70 VAL HA . 7194 1 766 . 2 2 70 70 VAL HB H 1 1.720 . . 1 . . . . 70 VAL HB . 7194 1 767 . 2 2 70 70 VAL HG11 H 1 0.642 . . 2 . . . . 70 VAL HG1 . 7194 1 768 . 2 2 70 70 VAL HG12 H 1 0.642 . . 2 . . . . 70 VAL HG1 . 7194 1 769 . 2 2 70 70 VAL HG13 H 1 0.642 . . 2 . . . . 70 VAL HG1 . 7194 1 770 . 2 2 70 70 VAL HG21 H 1 0.825 . . 2 . . . . 70 VAL HG2 . 7194 1 771 . 2 2 70 70 VAL HG22 H 1 0.825 . . 2 . . . . 70 VAL HG2 . 7194 1 772 . 2 2 70 70 VAL HG23 H 1 0.825 . . 2 . . . . 70 VAL HG2 . 7194 1 773 . 2 2 70 70 VAL CA C 13 61.494 . . 1 . . . . 70 VAL CA . 7194 1 774 . 2 2 70 70 VAL CB C 13 33.913 . . 1 . . . . 70 VAL CB . 7194 1 775 . 2 2 70 70 VAL CG1 C 13 20.974 . . 2 . . . . 70 VAL CG1 . 7194 1 776 . 2 2 70 70 VAL CG2 C 13 20.787 . . 2 . . . . 70 VAL CG2 . 7194 1 777 . 2 2 70 70 VAL N N 15 128.521 . . 1 . . . . 70 VAL N . 7194 1 778 . 2 2 71 71 GLY H H 1 8.698 . . 1 . . . . 71 GLY HN . 7194 1 779 . 2 2 71 71 GLY HA2 H 1 4.180 . . 2 . . . . 71 GLY HA1 . 7194 1 780 . 2 2 71 71 GLY HA3 H 1 3.255 . . 2 . . . . 71 GLY HA2 . 7194 1 781 . 2 2 71 71 GLY CA C 13 45.227 . . 1 . . . . 71 GLY CA . 7194 1 782 . 2 2 71 71 GLY N N 15 115.626 . . 1 . . . . 71 GLY N . 7194 1 783 . 2 2 72 72 LYS H H 1 8.934 . . 1 . . . . 72 LYS HN . 7194 1 784 . 2 2 72 72 LYS HA H 1 4.339 . . 1 . . . . 72 LYS HA . 7194 1 785 . 2 2 72 72 LYS HB2 H 1 1.903 . . 1 . . . . 72 LYS HB . 7194 1 786 . 2 2 72 72 LYS HB3 H 1 1.903 . . 1 . . . . 72 LYS HB . 7194 1 787 . 2 2 72 72 LYS HG2 H 1 1.632 . . 2 . . . . 72 LYS HG2 . 7194 1 788 . 2 2 72 72 LYS HG3 H 1 1.530 . . 2 . . . . 72 LYS HG3 . 7194 1 789 . 2 2 72 72 LYS HD2 H 1 1.738 . . 1 . . . . 72 LYS HD . 7194 1 790 . 2 2 72 72 LYS HD3 H 1 1.738 . . 1 . . . . 72 LYS HD . 7194 1 791 . 2 2 72 72 LYS HE2 H 1 3.010 . . 1 . . . . 72 LYS HE . 7194 1 792 . 2 2 72 72 LYS HE3 H 1 3.010 . . 1 . . . . 72 LYS HE . 7194 1 793 . 2 2 72 72 LYS CA C 13 57.843 . . 1 . . . . 72 LYS CA . 7194 1 794 . 2 2 72 72 LYS CB C 13 33.392 . . 1 . . . . 72 LYS CB . 7194 1 795 . 2 2 72 72 LYS CG C 13 25.307 . . 1 . . . . 72 LYS CG . 7194 1 796 . 2 2 72 72 LYS CD C 13 28.759 . . 1 . . . . 72 LYS CD . 7194 1 797 . 2 2 72 72 LYS CE C 13 42.297 . . 1 . . . . 72 LYS CE . 7194 1 798 . 2 2 72 72 LYS N N 15 121.171 . . 1 . . . . 72 LYS N . 7194 1 799 . 2 2 73 73 THR H H 1 7.071 . . 1 . . . . 73 THR HN . 7194 1 800 . 2 2 73 73 THR HA H 1 4.461 . . 1 . . . . 73 THR HA . 7194 1 801 . 2 2 73 73 THR HB H 1 3.925 . . 1 . . . . 73 THR HB . 7194 1 802 . 2 2 73 73 THR HG21 H 1 0.978 . . 1 . . . . 73 THR HG2 . 7194 1 803 . 2 2 73 73 THR HG22 H 1 0.978 . . 1 . . . . 73 THR HG2 . 7194 1 804 . 2 2 73 73 THR HG23 H 1 0.978 . . 1 . . . . 73 THR HG2 . 7194 1 805 . 2 2 73 73 THR CA C 13 58.052 . . 1 . . . . 73 THR CA . 7194 1 806 . 2 2 73 73 THR CB C 13 73.303 . . 1 . . . . 73 THR CB . 7194 1 807 . 2 2 73 73 THR CG2 C 13 22.117 . . 1 . . . . 73 THR CG2 . 7194 1 808 . 2 2 73 73 THR N N 15 103.099 . . 1 . . . . 73 THR N . 7194 1 809 . 2 2 74 74 TRP H H 1 7.983 . . 1 . . . . 74 TRP HN . 7194 1 810 . 2 2 74 74 TRP HA H 1 3.904 . . 1 . . . . 74 TRP HA . 7194 1 811 . 2 2 74 74 TRP HB2 H 1 3.035 . . 2 . . . . 74 TRP HB2 . 7194 1 812 . 2 2 74 74 TRP HB3 H 1 2.878 . . 2 . . . . 74 TRP HB3 . 7194 1 813 . 2 2 74 74 TRP HD1 H 1 6.453 . . 1 . . . . 74 TRP HD1 . 7194 1 814 . 2 2 74 74 TRP HE1 H 1 9.658 . . 1 . . . . 74 TRP HE1 . 7194 1 815 . 2 2 74 74 TRP HE3 H 1 6.855 . . 1 . . . . 74 TRP HE3 . 7194 1 816 . 2 2 74 74 TRP HZ2 H 1 7.185 . . 1 . . . . 74 TRP HZ2 . 7194 1 817 . 2 2 74 74 TRP HZ3 H 1 6.357 . . 1 . . . . 74 TRP HZ3 . 7194 1 818 . 2 2 74 74 TRP HH2 H 1 6.170 . . 1 . . . . 74 TRP HH2 . 7194 1 819 . 2 2 74 74 TRP CA C 13 59.125 . . 1 . . . . 74 TRP CA . 7194 1 820 . 2 2 74 74 TRP CB C 13 30.485 . . 1 . . . . 74 TRP CB . 7194 1 821 . 2 2 74 74 TRP CD1 C 13 126.602 . . 1 . . . . 74 TRP CD1 . 7194 1 822 . 2 2 74 74 TRP CE3 C 13 118.420 . . 1 . . . . 74 TRP CE3 . 7194 1 823 . 2 2 74 74 TRP CZ2 C 13 113.048 . . 1 . . . . 74 TRP CZ2 . 7194 1 824 . 2 2 74 74 TRP CZ3 C 13 120.848 . . 1 . . . . 74 TRP CZ3 . 7194 1 825 . 2 2 74 74 TRP CH2 C 13 121.963 . . 1 . . . . 74 TRP CH2 . 7194 1 826 . 2 2 74 74 TRP N N 15 123.043 . . 1 . . . . 74 TRP N . 7194 1 827 . 2 2 74 74 TRP NE1 N 15 129.717 . . 1 . . . . 74 TRP NE1 . 7194 1 828 . 2 2 75 75 THR H H 1 8.516 . . 1 . . . . 75 THR HN . 7194 1 829 . 2 2 75 75 THR HA H 1 3.674 . . 1 . . . . 75 THR HA . 7194 1 830 . 2 2 75 75 THR HB H 1 4.366 . . 1 . . . . 75 THR HB . 7194 1 831 . 2 2 75 75 THR HG21 H 1 1.396 . . 1 . . . . 75 THR HG2 . 7194 1 832 . 2 2 75 75 THR HG22 H 1 1.396 . . 1 . . . . 75 THR HG2 . 7194 1 833 . 2 2 75 75 THR HG23 H 1 1.396 . . 1 . . . . 75 THR HG2 . 7194 1 834 . 2 2 75 75 THR CA C 13 67.448 . . 1 . . . . 75 THR CA . 7194 1 835 . 2 2 75 75 THR CB C 13 68.976 . . 1 . . . . 75 THR CB . 7194 1 836 . 2 2 75 75 THR CG2 C 13 21.091 . . 1 . . . . 75 THR CG2 . 7194 1 837 . 2 2 75 75 THR N N 15 113.721 . . 1 . . . . 75 THR N . 7194 1 838 . 2 2 76 76 LEU H H 1 7.835 . . 1 . . . . 76 LEU HN . 7194 1 839 . 2 2 76 76 LEU HA H 1 4.148 . . 1 . . . . 76 LEU HA . 7194 1 840 . 2 2 76 76 LEU HB2 H 1 1.866 . . 2 . . . . 76 LEU HB2 . 7194 1 841 . 2 2 76 76 LEU HB3 H 1 1.708 . . 2 . . . . 76 LEU HB3 . 7194 1 842 . 2 2 76 76 LEU HG H 1 1.707 . . 1 . . . . 76 LEU HG . 7194 1 843 . 2 2 76 76 LEU HD11 H 1 1.119 . . 2 . . . . 76 LEU HD1 . 7194 1 844 . 2 2 76 76 LEU HD12 H 1 1.119 . . 2 . . . . 76 LEU HD1 . 7194 1 845 . 2 2 76 76 LEU HD13 H 1 1.119 . . 2 . . . . 76 LEU HD1 . 7194 1 846 . 2 2 76 76 LEU HD21 H 1 1.003 . . 2 . . . . 76 LEU HD2 . 7194 1 847 . 2 2 76 76 LEU HD22 H 1 1.003 . . 2 . . . . 76 LEU HD2 . 7194 1 848 . 2 2 76 76 LEU HD23 H 1 1.003 . . 2 . . . . 76 LEU HD2 . 7194 1 849 . 2 2 76 76 LEU CA C 13 57.769 . . 1 . . . . 76 LEU CA . 7194 1 850 . 2 2 76 76 LEU CB C 13 41.589 . . 1 . . . . 76 LEU CB . 7194 1 851 . 2 2 76 76 LEU CG C 13 27.400 . . 1 . . . . 76 LEU CG . 7194 1 852 . 2 2 76 76 LEU CD1 C 13 25.839 . . 2 . . . . 76 LEU CD1 . 7194 1 853 . 2 2 76 76 LEU CD2 C 13 22.440 . . 2 . . . . 76 LEU CD2 . 7194 1 854 . 2 2 76 76 LEU N N 15 120.902 . . 1 . . . . 76 LEU N . 7194 1 855 . 2 2 77 77 TYR H H 1 8.186 . . 1 . . . . 77 TYR HN . 7194 1 856 . 2 2 77 77 TYR HA H 1 4.542 . . 1 . . . . 77 TYR HA . 7194 1 857 . 2 2 77 77 TYR HD1 H 1 6.588 . . 3 . . . . 77 TYR HD1 . 7194 1 858 . 2 2 77 77 TYR HE1 H 1 6.847 . . 3 . . . . 77 TYR HE1 . 7194 1 859 . 2 2 77 77 TYR CA C 13 61.308 . . 1 . . . . 77 TYR CA . 7194 1 860 . 2 2 77 77 TYR CD1 C 13 133.177 . . 3 . . . . 77 TYR CD1 . 7194 1 861 . 2 2 77 77 TYR CE1 C 13 117.537 . . 3 . . . . 77 TYR CE1 . 7194 1 862 . 2 2 77 77 TYR N N 15 123.586 . . 1 . . . . 77 TYR N . 7194 1 863 . 2 2 78 78 LEU H H 1 8.225 . . 1 . . . . 78 LEU HN . 7194 1 864 . 2 2 78 78 LEU HA H 1 3.269 . . 1 . . . . 78 LEU HA . 7194 1 865 . 2 2 78 78 LEU HB2 H 1 1.677 . . 2 . . . . 78 LEU HB2 . 7194 1 866 . 2 2 78 78 LEU HB3 H 1 1.033 . . 2 . . . . 78 LEU HB3 . 7194 1 867 . 2 2 78 78 LEU HG H 1 0.600 . . 1 . . . . 78 LEU HG . 7194 1 868 . 2 2 78 78 LEU HD11 H 1 0.670 . . 2 . . . . 78 LEU HD1 . 7194 1 869 . 2 2 78 78 LEU HD12 H 1 0.670 . . 2 . . . . 78 LEU HD1 . 7194 1 870 . 2 2 78 78 LEU HD13 H 1 0.670 . . 2 . . . . 78 LEU HD1 . 7194 1 871 . 2 2 78 78 LEU HD21 H 1 0.162 . . 2 . . . . 78 LEU HD2 . 7194 1 872 . 2 2 78 78 LEU HD22 H 1 0.162 . . 2 . . . . 78 LEU HD2 . 7194 1 873 . 2 2 78 78 LEU HD23 H 1 0.162 . . 2 . . . . 78 LEU HD2 . 7194 1 874 . 2 2 78 78 LEU CA C 13 57.592 . . 1 . . . . 78 LEU CA . 7194 1 875 . 2 2 78 78 LEU CB C 13 40.231 . . 1 . . . . 78 LEU CB . 7194 1 876 . 2 2 78 78 LEU CG C 13 25.300 . . 1 . . . . 78 LEU CG . 7194 1 877 . 2 2 78 78 LEU CD1 C 13 26.399 . . 2 . . . . 78 LEU CD1 . 7194 1 878 . 2 2 78 78 LEU CD2 C 13 21.306 . . 2 . . . . 78 LEU CD2 . 7194 1 879 . 2 2 78 78 LEU N N 15 119.777 . . 1 . . . . 78 LEU N . 7194 1 880 . 2 2 79 79 LYS H H 1 7.887 . . 1 . . . . 79 LYS HN . 7194 1 881 . 2 2 79 79 LYS HA H 1 3.942 . . 1 . . . . 79 LYS HA . 7194 1 882 . 2 2 79 79 LYS HB2 H 1 1.897 . . 2 . . . . 79 LYS HB2 . 7194 1 883 . 2 2 79 79 LYS HB3 H 1 1.831 . . 2 . . . . 79 LYS HB3 . 7194 1 884 . 2 2 79 79 LYS HG2 H 1 1.561 . . 2 . . . . 79 LYS HG2 . 7194 1 885 . 2 2 79 79 LYS HG3 H 1 1.382 . . 2 . . . . 79 LYS HG3 . 7194 1 886 . 2 2 79 79 LYS HD2 H 1 1.649 . . 1 . . . . 79 LYS HD . 7194 1 887 . 2 2 79 79 LYS HD3 H 1 1.649 . . 1 . . . . 79 LYS HD . 7194 1 888 . 2 2 79 79 LYS CA C 13 59.258 . . 1 . . . . 79 LYS CA . 7194 1 889 . 2 2 79 79 LYS CB C 13 32.529 . . 1 . . . . 79 LYS CB . 7194 1 890 . 2 2 79 79 LYS CG C 13 25.248 . . 1 . . . . 79 LYS CG . 7194 1 891 . 2 2 79 79 LYS CD C 13 29.548 . . 1 . . . . 79 LYS CD . 7194 1 892 . 2 2 79 79 LYS N N 15 120.078 . . 1 . . . . 79 LYS N . 7194 1 893 . 2 2 80 80 HIS H H 1 7.476 . . 1 . . . . 80 HIS HN . 7194 1 894 . 2 2 80 80 HIS HA H 1 3.981 . . 1 . . . . 80 HIS HA . 7194 1 895 . 2 2 80 80 HIS HB2 H 1 2.995 . . 2 . . . . 80 HIS HB2 . 7194 1 896 . 2 2 80 80 HIS HB3 H 1 2.260 . . 2 . . . . 80 HIS HB3 . 7194 1 897 . 2 2 80 80 HIS HD1 H 1 11.832 . . 1 . . . . 80 HIS HD1 . 7194 1 898 . 2 2 80 80 HIS HD2 H 1 6.694 . . 1 . . . . 80 HIS HD2 . 7194 1 899 . 2 2 80 80 HIS HE1 H 1 7.656 . . 1 . . . . 80 HIS HE1 . 7194 1 900 . 2 2 80 80 HIS CA C 13 59.399 . . 1 . . . . 80 HIS CA . 7194 1 901 . 2 2 80 80 HIS CB C 13 27.601 . . 1 . . . . 80 HIS CB . 7194 1 902 . 2 2 80 80 HIS CD2 C 13 126.086 . . 1 . . . . 80 HIS CD2 . 7194 1 903 . 2 2 80 80 HIS CE1 C 13 139.569 . . 1 . . . . 80 HIS CE1 . 7194 1 904 . 2 2 80 80 HIS N N 15 119.478 . . 1 . . . . 80 HIS N . 7194 1 905 . 2 2 80 80 HIS ND1 N 15 173.991 . . 1 . . . . 80 HIS ND1 . 7194 1 906 . 2 2 81 81 VAL H H 1 7.981 . . 1 . . . . 81 VAL HN . 7194 1 907 . 2 2 81 81 VAL HA H 1 3.068 . . 1 . . . . 81 VAL HA . 7194 1 908 . 2 2 81 81 VAL HB H 1 1.789 . . 1 . . . . 81 VAL HB . 7194 1 909 . 2 2 81 81 VAL HG11 H 1 0.565 . . 2 . . . . 81 VAL HG1 . 7194 1 910 . 2 2 81 81 VAL HG12 H 1 0.565 . . 2 . . . . 81 VAL HG1 . 7194 1 911 . 2 2 81 81 VAL HG13 H 1 0.565 . . 2 . . . . 81 VAL HG1 . 7194 1 912 . 2 2 81 81 VAL HG21 H 1 0.777 . . 2 . . . . 81 VAL HG2 . 7194 1 913 . 2 2 81 81 VAL HG22 H 1 0.777 . . 2 . . . . 81 VAL HG2 . 7194 1 914 . 2 2 81 81 VAL HG23 H 1 0.777 . . 2 . . . . 81 VAL HG2 . 7194 1 915 . 2 2 81 81 VAL CA C 13 67.252 . . 1 . . . . 81 VAL CA . 7194 1 916 . 2 2 81 81 VAL CB C 13 31.412 . . 1 . . . . 81 VAL CB . 7194 1 917 . 2 2 81 81 VAL CG1 C 13 22.925 . . 2 . . . . 81 VAL CG1 . 7194 1 918 . 2 2 81 81 VAL CG2 C 13 21.975 . . 2 . . . . 81 VAL CG2 . 7194 1 919 . 2 2 81 81 VAL N N 15 119.787 . . 1 . . . . 81 VAL N . 7194 1 920 . 2 2 82 82 ALA H H 1 7.420 . . 1 . . . . 82 ALA HN . 7194 1 921 . 2 2 82 82 ALA HA H 1 3.985 . . 1 . . . . 82 ALA HA . 7194 1 922 . 2 2 82 82 ALA HB1 H 1 1.386 . . 1 . . . . 82 ALA HB . 7194 1 923 . 2 2 82 82 ALA HB2 H 1 1.386 . . 1 . . . . 82 ALA HB . 7194 1 924 . 2 2 82 82 ALA HB3 H 1 1.386 . . 1 . . . . 82 ALA HB . 7194 1 925 . 2 2 82 82 ALA CA C 13 54.101 . . 1 . . . . 82 ALA CA . 7194 1 926 . 2 2 82 82 ALA CB C 13 18.029 . . 1 . . . . 82 ALA CB . 7194 1 927 . 2 2 82 82 ALA N N 15 120.111 . . 1 . . . . 82 ALA N . 7194 1 928 . 2 2 83 83 GLU H H 1 7.678 . . 1 . . . . 83 GLU HN . 7194 1 929 . 2 2 83 83 GLU HA H 1 4.090 . . 1 . . . . 83 GLU HA . 7194 1 930 . 2 2 83 83 GLU HB2 H 1 1.971 . . 1 . . . . 83 GLU HB . 7194 1 931 . 2 2 83 83 GLU HB3 H 1 1.971 . . 1 . . . . 83 GLU HB . 7194 1 932 . 2 2 83 83 GLU HG2 H 1 2.400 . . 2 . . . . 83 GLU HG2 . 7194 1 933 . 2 2 83 83 GLU HG3 H 1 2.195 . . 2 . . . . 83 GLU HG3 . 7194 1 934 . 2 2 83 83 GLU CA C 13 57.843 . . 1 . . . . 83 GLU CA . 7194 1 935 . 2 2 83 83 GLU CB C 13 31.182 . . 1 . . . . 83 GLU CB . 7194 1 936 . 2 2 83 83 GLU CG C 13 36.248 . . 1 . . . . 83 GLU CG . 7194 1 937 . 2 2 83 83 GLU N N 15 114.726 . . 1 . . . . 83 GLU N . 7194 1 938 . 2 2 84 84 CYS H H 1 8.018 . . 1 . . . . 84 CYS HN . 7194 1 939 . 2 2 84 84 CYS HA H 1 4.248 . . 1 . . . . 84 CYS HA . 7194 1 940 . 2 2 84 84 CYS HB2 H 1 2.098 . . 2 . . . . 84 CYS HB2 . 7194 1 941 . 2 2 84 84 CYS HB3 H 1 1.317 . . 2 . . . . 84 CYS HB3 . 7194 1 942 . 2 2 84 84 CYS CA C 13 59.957 . . 1 . . . . 84 CYS CA . 7194 1 943 . 2 2 84 84 CYS CB C 13 28.785 . . 1 . . . . 84 CYS CB . 7194 1 944 . 2 2 84 84 CYS N N 15 113.028 . . 1 . . . . 84 CYS N . 7194 1 945 . 2 2 85 85 HIS H H 1 7.745 . . 1 . . . . 85 HIS HN . 7194 1 946 . 2 2 85 85 HIS HA H 1 5.069 . . 1 . . . . 85 HIS HA . 7194 1 947 . 2 2 85 85 HIS HB2 H 1 3.260 . . 2 . . . . 85 HIS HB2 . 7194 1 948 . 2 2 85 85 HIS HB3 H 1 2.883 . . 2 . . . . 85 HIS HB3 . 7194 1 949 . 2 2 85 85 HIS HD1 H 1 12.741 . . 1 . . . . 85 HIS HD1 . 7194 1 950 . 2 2 85 85 HIS HD2 H 1 6.204 . . 1 . . . . 85 HIS HD2 . 7194 1 951 . 2 2 85 85 HIS HE1 H 1 7.941 . . 1 . . . . 85 HIS HE1 . 7194 1 952 . 2 2 85 85 HIS CA C 13 53.512 . . 1 . . . . 85 HIS CA . 7194 1 953 . 2 2 85 85 HIS CB C 13 28.815 . . 1 . . . . 85 HIS CB . 7194 1 954 . 2 2 85 85 HIS CD2 C 13 127.082 . . 1 . . . . 85 HIS CD2 . 7194 1 955 . 2 2 85 85 HIS CE1 C 13 139.465 . . 1 . . . . 85 HIS CE1 . 7194 1 956 . 2 2 85 85 HIS N N 15 116.739 . . 1 . . . . 85 HIS N . 7194 1 957 . 2 2 85 85 HIS ND1 N 15 172.717 . . 1 . . . . 85 HIS ND1 . 7194 1 958 . 2 2 86 86 GLN H H 1 8.214 . . 1 . . . . 86 GLN HN . 7194 1 959 . 2 2 86 86 GLN HA H 1 4.364 . . 1 . . . . 86 GLN HA . 7194 1 960 . 2 2 86 86 GLN HB2 H 1 2.127 . . 2 . . . . 86 GLN HB2 . 7194 1 961 . 2 2 86 86 GLN HB3 H 1 1.933 . . 2 . . . . 86 GLN HB3 . 7194 1 962 . 2 2 86 86 GLN HG2 H 1 2.307 . . 1 . . . . 86 GLN HG . 7194 1 963 . 2 2 86 86 GLN HG3 H 1 2.307 . . 1 . . . . 86 GLN HG . 7194 1 964 . 2 2 86 86 GLN HE21 H 1 7.469 . . 2 . . . . 86 GLN HE21 . 7194 1 965 . 2 2 86 86 GLN HE22 H 1 6.813 . . 2 . . . . 86 GLN HE22 . 7194 1 966 . 2 2 86 86 GLN CA C 13 55.863 . . 1 . . . . 86 GLN CA . 7194 1 967 . 2 2 86 86 GLN CB C 13 29.535 . . 1 . . . . 86 GLN CB . 7194 1 968 . 2 2 86 86 GLN CG C 13 34.059 . . 1 . . . . 86 GLN CG . 7194 1 969 . 2 2 86 86 GLN N N 15 120.430 . . 1 . . . . 86 GLN N . 7194 1 970 . 2 2 86 86 GLN NE2 N 15 112.982 . . 1 . . . . 86 GLN NE2 . 7194 1 971 . 2 2 87 87 ASP H H 1 8.103 . . 1 . . . . 87 ASP HN . 7194 1 972 . 2 2 87 87 ASP HA H 1 4.374 . . 1 . . . . 87 ASP HA . 7194 1 973 . 2 2 87 87 ASP HB2 H 1 2.670 . . 2 . . . . 87 ASP HB2 . 7194 1 974 . 2 2 87 87 ASP HB3 H 1 2.543 . . 2 . . . . 87 ASP HB3 . 7194 1 975 . 2 2 87 87 ASP CA C 13 55.513 . . 1 . . . . 87 ASP CA . 7194 1 976 . 2 2 87 87 ASP CB C 13 42.142 . . 1 . . . . 87 ASP CB . 7194 1 977 . 2 2 87 87 ASP N N 15 126.936 . . 1 . . . . 87 ASP N . 7194 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 7194 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $conditions_1 _RDC_list.Spectrometer_frequency_1H 900 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 1 $sample_1 anisotropic 7194 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DN1H1 1 1 1 1 1 G H1 H 1 . 1 1 1 1 1 G N1 N 15 . 13.864 . . 1.000 . . . . . . . . . . . 7194 1 2 DN1H1 1 1 1 2 2 G H1 H 1 . 1 1 1 2 2 G N1 N 15 . 12.678 . . 1.000 . . . . . . . . . . . 7194 1 3 DN1H1 1 1 1 3 3 G H1 H 1 . 1 1 1 3 3 G N1 N 15 . 19.245 . . 1.000 . . . . . . . . . . . 7194 1 4 DN1H1 1 1 1 15 15 G H1 H 1 . 1 1 1 15 15 G N1 N 15 . 9.030 . . 1.000 . . . . . . . . . . . 7194 1 5 DN1H1 1 1 1 16 16 G H1 H 1 . 1 1 1 16 16 G N1 N 15 . 7.479 . . 1.000 . . . . . . . . . . . 7194 1 6 DN1H1 1 1 1 17 17 G H1 H 1 . 1 1 1 17 17 G N1 N 15 . 13.681 . . 1.000 . . . . . . . . . . . 7194 1 7 DN3H3 1 1 1 20 20 U H3 H 1 . 1 1 1 20 20 U N3 N 15 . 11.401 . . 1.000 . . . . . . . . . . . 7194 1 8 DN1H1 1 1 1 21 21 G H1 H 1 . 1 1 1 21 21 G N1 N 15 . 9.394 . . 1.000 . . . . . . . . . . . 7194 1 9 DN1H1 1 1 1 22 22 G H1 H 1 . 1 1 1 22 22 G N1 N 15 . 11.401 . . 1.000 . . . . . . . . . . . 7194 1 10 DN3H3 1 1 1 24 24 U H3 H 1 . 1 1 1 24 24 U N3 N 15 . 7.661 . . 1.000 . . . . . . . . . . . 7194 1 11 DN1H1 1 1 1 26 26 G H1 H 1 . 1 1 1 26 26 G N1 N 15 . -7.297 . . 1.000 . . . . . . . . . . . 7194 1 12 DN3H3 1 1 1 27 27 U H3 H 1 . 1 1 1 27 27 U N3 N 15 . -3.283 . . 1.000 . . . . . . . . . . . 7194 1 13 DN3H3 1 1 1 31 31 U H3 H 1 . 1 1 1 31 31 U N3 N 15 . 14.593 . . 1.000 . . . . . . . . . . . 7194 1 14 DN1H1 1 1 1 39 39 G H1 H 1 . 1 1 1 39 39 G N1 N 15 . 11.492 . . 1.000 . . . . . . . . . . . 7194 1 15 DN1H1 1 1 1 40 40 G H1 H 1 . 1 1 1 40 40 G N1 N 15 . 10.945 . . 1.000 . . . . . . . . . . . 7194 1 16 DN1H1 1 1 1 41 41 G H1 H 1 . 1 1 1 41 41 G N1 N 15 . -5.655 . . 1.000 . . . . . . . . . . . 7194 1 17 DN3H3 1 1 1 44 44 U H3 H 1 . 1 1 1 44 44 U N3 N 15 . 7.570 . . 1.000 . . . . . . . . . . . 7194 1 18 DN1H1 1 1 1 49 49 G H1 H 1 . 1 1 1 49 49 G N1 N 15 . 16.144 . . 1.000 . . . . . . . . . . . 7194 1 19 DN1H1 1 1 1 50 50 G H1 H 1 . 1 1 1 50 50 G N1 N 15 . 17.877 . . 1.000 . . . . . . . . . . . 7194 1 20 DN3H3 1 1 1 51 51 U H3 H 1 . 1 1 1 51 51 U N3 N 15 . 13.864 . . 1.000 . . . . . . . . . . . 7194 1 21 DN1H1 1 1 1 52 52 G H1 H 1 . 1 1 1 52 52 G N1 N 15 . 9.030 . . 1.000 . . . . . . . . . . . 7194 1 22 DNHN 1 2 2 2 2 TYR HN H 1 . 1 2 2 2 2 TYR N N 15 . -20.887 . . 1.000 . . . . . . . . . . . 7194 1 23 DNHN 1 2 2 3 3 VAL HN H 1 . 1 2 2 3 3 VAL N N 15 . -19.245 . . 1.000 . . . . . . . . . . . 7194 1 24 DNHN 1 2 2 4 4 CYS HN H 1 . 1 2 2 4 4 CYS N N 15 . 2.645 . . 1.000 . . . . . . . . . . . 7194 1 25 DNHN 1 2 2 5 5 HIS HN H 1 . 1 2 2 5 5 HIS N N 15 . 14.776 . . 1.000 . . . . . . . . . . . 7194 1 26 DNHN 1 2 2 6 6 PHE HN H 1 . 1 2 2 6 6 PHE N N 15 . -5.108 . . 1.000 . . . . . . . . . . . 7194 1 27 DNHN 1 2 2 7 7 GLU HN H 1 . 1 2 2 7 7 GLU N N 15 . 11.948 . . 1.000 . . . . . . . . . . . 7194 1 28 DNHN 1 2 2 8 8 ASN HN H 1 . 1 2 2 8 8 ASN N N 15 . -19.792 . . 1.000 . . . . . . . . . . . 7194 1 29 DNHN 1 2 2 9 9 CYS HN H 1 . 1 2 2 9 9 CYS N N 15 . -2.098 . . 1.000 . . . . . . . . . . . 7194 1 30 DNHN 1 2 2 10 10 GLY HN H 1 . 1 2 2 10 10 GLY N N 15 . 8.847 . . 1.000 . . . . . . . . . . . 7194 1 31 DNHN 1 2 2 11 11 LYS HN H 1 . 1 2 2 11 11 LYS N N 15 . 5.381 . . 1.000 . . . . . . . . . . . 7194 1 32 DNHN 1 2 2 12 12 ALA HN H 1 . 1 2 2 12 12 ALA N N 15 . 6.749 . . 1.000 . . . . . . . . . . . 7194 1 33 DNHN 1 2 2 13 13 PHE HN H 1 . 1 2 2 13 13 PHE N N 15 . -11.036 . . 1.000 . . . . . . . . . . . 7194 1 34 DNHN 1 2 2 14 14 LYS HN H 1 . 1 2 2 14 14 LYS N N 15 . -20.704 . . 1.000 . . . . . . . . . . . 7194 1 35 DNHN 1 2 2 15 15 LYS HN H 1 . 1 2 2 15 15 LYS N N 15 . -13.499 . . 1.000 . . . . . . . . . . . 7194 1 36 DNHN 1 2 2 16 16 HIS HN H 1 . 1 2 2 16 16 HIS N N 15 . 4.652 . . 1.000 . . . . . . . . . . . 7194 1 37 DNHN 1 2 2 17 17 ASN HN H 1 . 1 2 2 17 17 ASN N N 15 . 13.590 . . 1.000 . . . . . . . . . . . 7194 1 38 DNHN 1 2 2 18 18 GLN HN H 1 . 1 2 2 18 18 GLN N N 15 . -7.844 . . 1.000 . . . . . . . . . . . 7194 1 39 DNHN 1 2 2 19 19 LEU HN H 1 . 1 2 2 19 19 LEU N N 15 . -0.547 . . 1.000 . . . . . . . . . . . 7194 1 40 DNHN 1 2 2 20 20 LYS HN H 1 . 1 2 2 20 20 LYS N N 15 . 4.378 . . 1.000 . . . . . . . . . . . 7194 1 41 DNHN 1 2 2 22 22 HIS HN H 1 . 1 2 2 22 22 HIS N N 15 . -3.648 . . 1.000 . . . . . . . . . . . 7194 1 42 DNHN 1 2 2 23 23 GLN HN H 1 . 1 2 2 23 23 GLN N N 15 . 5.472 . . 1.000 . . . . . . . . . . . 7194 1 43 DNHN 1 2 2 24 24 PHE HN H 1 . 1 2 2 24 24 PHE N N 15 . 10.398 . . 1.000 . . . . . . . . . . . 7194 1 44 DNHN 1 2 2 25 25 SER HN H 1 . 1 2 2 25 25 SER N N 15 . 1.824 . . 1.000 . . . . . . . . . . . 7194 1 45 DNHN 1 2 2 26 26 HIS HN H 1 . 1 2 2 26 26 HIS N N 15 . 3.740 . . 1.000 . . . . . . . . . . . 7194 1 46 DNHN 1 2 2 27 27 THR HN H 1 . 1 2 2 27 27 THR N N 15 . 9.850 . . 1.000 . . . . . . . . . . . 7194 1 47 DNHN 1 2 2 28 28 GLN HN H 1 . 1 2 2 28 28 GLN N N 15 . 9.577 . . 1.000 . . . . . . . . . . . 7194 1 48 DNHN 1 2 2 29 29 GLN HN H 1 . 1 2 2 29 29 GLN N N 15 . -7.753 . . 1.000 . . . . . . . . . . . 7194 1 49 DNHN 1 2 2 33 33 GLU HN H 1 . 1 2 2 33 33 GLU N N 15 . -21.890 . . 1.000 . . . . . . . . . . . 7194 1 50 DNHN 1 2 2 34 34 CYS HN H 1 . 1 2 2 34 34 CYS N N 15 . 2.098 . . 1.000 . . . . . . . . . . . 7194 1 51 DNHN 1 2 2 36 36 HIS HN H 1 . 1 2 2 36 36 HIS N N 15 . 8.300 . . 1.000 . . . . . . . . . . . 7194 1 52 DNHN 1 2 2 37 37 GLU HN H 1 . 1 2 2 37 37 GLU N N 15 . 13.408 . . 1.000 . . . . . . . . . . . 7194 1 53 DNHN 1 2 2 38 38 GLY HN H 1 . 1 2 2 38 38 GLY N N 15 . -18.698 . . 1.000 . . . . . . . . . . . 7194 1 54 DNHN 1 2 2 39 39 CYS HN H 1 . 1 2 2 39 39 CYS N N 15 . -14.228 . . 1.000 . . . . . . . . . . . 7194 1 55 DNHN 1 2 2 40 40 ASP HN H 1 . 1 2 2 40 40 ASP N N 15 . -23.988 . . 1.000 . . . . . . . . . . . 7194 1 56 DNHN 1 2 2 41 41 LYS HN H 1 . 1 2 2 41 41 LYS N N 15 . 12.222 . . 1.000 . . . . . . . . . . . 7194 1 57 DNHN 1 2 2 42 42 ARG HN H 1 . 1 2 2 42 42 ARG N N 15 . -6.567 . . 1.000 . . . . . . . . . . . 7194 1 58 DNHN 1 2 2 43 43 PHE HN H 1 . 1 2 2 43 43 PHE N N 15 . -13.134 . . 1.000 . . . . . . . . . . . 7194 1 59 DNHN 1 2 2 44 44 SER HN H 1 . 1 2 2 44 44 SER N N 15 . -24.809 . . 1.000 . . . . . . . . . . . 7194 1 60 DNHN 1 2 2 45 45 LEU HN H 1 . 1 2 2 45 45 LEU N N 15 . -18.059 . . 1.000 . . . . . . . . . . . 7194 1 61 DNHN 1 2 2 47 47 SER HN H 1 . 1 2 2 47 47 SER N N 15 . 8.482 . . 1.000 . . . . . . . . . . . 7194 1 62 DNHN 1 2 2 48 48 ARG HN H 1 . 1 2 2 48 48 ARG N N 15 . -8.574 . . 1.000 . . . . . . . . . . . 7194 1 63 DNHN 1 2 2 49 49 LEU HN H 1 . 1 2 2 49 49 LEU N N 15 . -15.323 . . 1.000 . . . . . . . . . . . 7194 1 64 DNHN 1 2 2 50 50 LYS HN H 1 . 1 2 2 50 50 LYS N N 15 . 1.003 . . 1.000 . . . . . . . . . . . 7194 1 65 DNHN 1 2 2 53 53 GLU HN H 1 . 1 2 2 53 53 GLU N N 15 . -6.749 . . 1.000 . . . . . . . . . . . 7194 1 66 DNHN 1 2 2 54 54 LYS HN H 1 . 1 2 2 54 54 LYS N N 15 . 19.427 . . 1.000 . . . . . . . . . . . 7194 1 67 DNHN 1 2 2 55 55 VAL HN H 1 . 1 2 2 55 55 VAL N N 15 . 1.642 . . 1.000 . . . . . . . . . . . 7194 1 68 DNHN 1 2 2 56 56 HIS HN H 1 . 1 2 2 56 56 HIS N N 15 . -7.753 . . 1.000 . . . . . . . . . . . 7194 1 69 DNHN 1 2 2 57 57 ALA HN H 1 . 1 2 2 57 57 ALA N N 15 . 16.053 . . 1.000 . . . . . . . . . . . 7194 1 70 DNHN 1 2 2 58 58 GLY HN H 1 . 1 2 2 58 58 GLY N N 15 . 14.320 . . 1.000 . . . . . . . . . . . 7194 1 71 DNHN 1 2 2 59 59 TYR HN H 1 . 1 2 2 59 59 TYR N N 15 . 0.730 . . 1.000 . . . . . . . . . . . 7194 1 72 DNHN 1 2 2 61 61 CYS HN H 1 . 1 2 2 61 61 CYS N N 15 . 13.499 . . 1.000 . . . . . . . . . . . 7194 1 73 DNHN 1 2 2 62 62 LYS HN H 1 . 1 2 2 62 62 LYS N N 15 . 4.560 . . 1.000 . . . . . . . . . . . 7194 1 74 DNHN 1 2 2 63 63 LYS HN H 1 . 1 2 2 63 63 LYS N N 15 . 9.577 . . 1.000 . . . . . . . . . . . 7194 1 75 DNHN 1 2 2 64 64 ASP HN H 1 . 1 2 2 64 64 ASP N N 15 . -5.472 . . 1.000 . . . . . . . . . . . 7194 1 76 DNHN 1 2 2 65 65 ASP HN H 1 . 1 2 2 65 65 ASP N N 15 . -0.456 . . 1.000 . . . . . . . . . . . 7194 1 77 DNHN 1 2 2 66 66 SER HN H 1 . 1 2 2 66 66 SER N N 15 . -10.945 . . 1.000 . . . . . . . . . . . 7194 1 78 DNHN 1 2 2 67 67 CYS HN H 1 . 1 2 2 67 67 CYS N N 15 . -2.189 . . 1.000 . . . . . . . . . . . 7194 1 79 DNHN 1 2 2 68 68 SER HN H 1 . 1 2 2 68 68 SER N N 15 . -10.763 . . 1.000 . . . . . . . . . . . 7194 1 80 DNHN 1 2 2 69 69 PHE HN H 1 . 1 2 2 69 69 PHE N N 15 . -12.769 . . 1.000 . . . . . . . . . . . 7194 1 81 DNHN 1 2 2 70 70 VAL HN H 1 . 1 2 2 70 70 VAL N N 15 . 9.668 . . 1.000 . . . . . . . . . . . 7194 1 82 DNHN 1 2 2 71 71 GLY HN H 1 . 1 2 2 71 71 GLY N N 15 . 11.948 . . 1.000 . . . . . . . . . . . 7194 1 83 DNHN 1 2 2 72 72 LYS HN H 1 . 1 2 2 72 72 LYS N N 15 . -13.043 . . 1.000 . . . . . . . . . . . 7194 1 84 DNHN 1 2 2 73 73 THR HN H 1 . 1 2 2 73 73 THR N N 15 . -17.786 . . 1.000 . . . . . . . . . . . 7194 1 85 DNEHE 1 2 2 74 74 TRP HE1 H 1 . 1 2 2 74 74 TRP NE1 N 15 . 8.300 . . 1.000 . . . . . . . . . . . 7194 1 86 DNHN 1 2 2 74 74 TRP HN H 1 . 1 2 2 74 74 TRP N N 15 . -12.587 . . 1.000 . . . . . . . . . . . 7194 1 87 DNHN 1 2 2 75 75 THR HN H 1 . 1 2 2 75 75 THR N N 15 . -4.378 . . 1.000 . . . . . . . . . . . 7194 1 88 DNHN 1 2 2 76 76 LEU HN H 1 . 1 2 2 76 76 LEU N N 15 . -15.232 . . 1.000 . . . . . . . . . . . 7194 1 89 DNHN 1 2 2 77 77 TYR HN H 1 . 1 2 2 77 77 TYR N N 15 . -8.756 . . 1.000 . . . . . . . . . . . 7194 1 90 DNHN 1 2 2 78 78 LEU HN H 1 . 1 2 2 78 78 LEU N N 15 . -15.505 . . 1.000 . . . . . . . . . . . 7194 1 91 DNHN 1 2 2 79 79 LYS HN H 1 . 1 2 2 79 79 LYS N N 15 . -17.421 . . 1.000 . . . . . . . . . . . 7194 1 92 DNHN 1 2 2 80 80 HIS HN H 1 . 1 2 2 80 80 HIS N N 15 . -24.991 . . 1.000 . . . . . . . . . . . 7194 1 93 DNHN 1 2 2 81 81 VAL HN H 1 . 1 2 2 81 81 VAL N N 15 . -7.935 . . 1.000 . . . . . . . . . . . 7194 1 94 DNHN 1 2 2 82 82 ALA HN H 1 . 1 2 2 82 82 ALA N N 15 . -5.472 . . 1.000 . . . . . . . . . . . 7194 1 95 DNHN 1 2 2 83 83 GLU HN H 1 . 1 2 2 83 83 GLU N N 15 . -25.082 . . 1.000 . . . . . . . . . . . 7194 1 96 DNHN 1 2 2 84 84 CYS HN H 1 . 1 2 2 84 84 CYS N N 15 . -12.587 . . 1.000 . . . . . . . . . . . 7194 1 97 DNHN 1 2 2 85 85 HIS HN H 1 . 1 2 2 85 85 HIS N N 15 . 18.789 . . 1.000 . . . . . . . . . . . 7194 1 98 DNHN 1 2 2 86 86 GLN HN H 1 . 1 2 2 86 86 GLN N N 15 . 11.948 . . 1.000 . . . . . . . . . . . 7194 1 stop_ save_