data_16485 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16485 _Entry.Title ; Solution structure of the THAP zinc finger of THAP1 in complex with its DNA target ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-08 _Entry.Accession_date 2009-09-08 _Entry.Last_release_date 2009-09-08 _Entry.Original_release_date 2009-09-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sebastien Campagne . . . . 16485 2 Virginie Gervais . . . . 16485 3 Olivier Saurel . . . . 16485 4 Alain Milon . . . . 16485 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16485 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of pharmacology and structural biology CNRS' . 16485 2 . 'University of Toulouse' . 16485 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CCCH . 16485 'DNA binding domain' . 16485 'Protein-DNA complex' . 16485 'Transcription factor' . 16485 'Zinc finger' . 16485 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 16485 assigned_chemical_shifts 2 16485 heteronucl_NOEs 1 16485 heteronucl_T1_relaxation 1 16485 heteronucl_T2_relaxation 1 16485 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 16485 '15N chemical shifts' 84 16485 '1H chemical shifts' 892 16485 'T1 relaxation values' 73 16485 'T2 relaxation values' 73 16485 'heteronuclear NOE values' 73 16485 'residual dipolar couplings' 53 16485 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 4 . . 2011-08-16 2009-09-08 update BMRB 'update residue numbers, etc. in data loops' 16485 3 . . 2010-07-14 2009-09-08 update BMRB 'update DNA residue label to two-letter code' 16485 2 . . 2010-06-09 2009-09-08 update BMRB 'complete entry citation' 16485 1 . . 2010-02-17 2009-09-08 original author 'original release' 16485 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15300 'NMR assignment of free THAP domain of THAP1' 16485 PDB 2JTG 'Solution structure of the THAP-zinc finger of THAP1' 16485 PDB 2KO0 'BMRB Entry Tracking System' 16485 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16485 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20144952 _Citation.Full_citation . _Citation.Title ; Structural determinants of specific DNA-recognition by the THAP zinc finger. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 38 _Citation.Journal_issue 10 _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 3466 _Citation.Page_last 3476 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastien Campagne . . . . 16485 1 2 Olivier Saurel . . . . 16485 1 3 Virginie Gervais . . . . 16485 1 4 Alain Milon . . . . 16485 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding domain' 16485 1 'Protein-DNA complex' 16485 1 'transcription factor' 16485 1 'zinc finger' 16485 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16485 _Assembly.ID 1 _Assembly.Name 'THAP RRM1' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20000 _Assembly.Enzyme_commission_number . _Assembly.Details 'THAP zinc finger of THAP1 in complex with its DNA target' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 THAP_domain 1 $THAP_domain A . yes native no no . . . 16485 1 2 RRM1 2 $RRM1 B . yes native no no . . . 16485 1 3 ZN 3 $ZN C . no native no no . . . 16485 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_asym_ID_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_asym_ID_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 . 1 THAP_domain 1 CYS 5 5 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . . . 16485 1 2 coordination single . 1 THAP_domain 1 CYS 10 10 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . . . 16485 1 3 coordination single . 1 THAP_domain 1 CYS 54 54 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . . . 16485 1 4 coordination single . 1 THAP_domain 1 HIS 57 57 HE2 . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . . . 16485 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_THAP_domain _Entity.Sf_category entity _Entity.Sf_framecode THAP_domain _Entity.Entry_ID 16485 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name THAP_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVQSCSAYGCKNRYDKDKPV SFHKFPLTRPSLCKEWEAAV RRKNFKPTKYSSICSEHFTP DSFKRESNNKLLKENAVPTI FLELVPR ; _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 . _Entity.Fragment . _Entity.Mutation 'C62S and C67S' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EMBL CAG33537 . 'THAP1 [Homo sapiens]' . . . . . . . . . . . . . . 16485 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor, endogenous modulator of pRb/E2F cell cycle target genes' 16485 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16485 1 2 . VAL . 16485 1 3 . GLN . 16485 1 4 . SER . 16485 1 5 . CYS . 16485 1 6 . SER . 16485 1 7 . ALA . 16485 1 8 . TYR . 16485 1 9 . GLY . 16485 1 10 . CYS . 16485 1 11 . LYS . 16485 1 12 . ASN . 16485 1 13 . ARG . 16485 1 14 . TYR . 16485 1 15 . ASP . 16485 1 16 . LYS . 16485 1 17 . ASP . 16485 1 18 . LYS . 16485 1 19 . PRO . 16485 1 20 . VAL . 16485 1 21 . SER . 16485 1 22 . PHE . 16485 1 23 . HIS . 16485 1 24 . LYS . 16485 1 25 . PHE . 16485 1 26 . PRO . 16485 1 27 . LEU . 16485 1 28 . THR . 16485 1 29 . ARG . 16485 1 30 . PRO . 16485 1 31 . SER . 16485 1 32 . LEU . 16485 1 33 . CYS . 16485 1 34 . LYS . 16485 1 35 . GLU . 16485 1 36 . TRP . 16485 1 37 . GLU . 16485 1 38 . ALA . 16485 1 39 . ALA . 16485 1 40 . VAL . 16485 1 41 . ARG . 16485 1 42 . ARG . 16485 1 43 . LYS . 16485 1 44 . ASN . 16485 1 45 . PHE . 16485 1 46 . LYS . 16485 1 47 . PRO . 16485 1 48 . THR . 16485 1 49 . LYS . 16485 1 50 . TYR . 16485 1 51 . SER . 16485 1 52 . SER . 16485 1 53 . ILE . 16485 1 54 . CYS . 16485 1 55 . SER . 16485 1 56 . GLU . 16485 1 57 . HIS . 16485 1 58 . PHE . 16485 1 59 . THR . 16485 1 60 . PRO . 16485 1 61 . ASP . 16485 1 62 . SER . 16485 1 63 . PHE . 16485 1 64 . LYS . 16485 1 65 . ARG . 16485 1 66 . GLU . 16485 1 67 . SER . 16485 1 68 . ASN . 16485 1 69 . ASN . 16485 1 70 . LYS . 16485 1 71 . LEU . 16485 1 72 . LEU . 16485 1 73 . LYS . 16485 1 74 . GLU . 16485 1 75 . ASN . 16485 1 76 . ALA . 16485 1 77 . VAL . 16485 1 78 . PRO . 16485 1 79 . THR . 16485 1 80 . ILE . 16485 1 81 . PHE . 16485 1 82 . LEU . 16485 1 83 . GLU . 16485 1 84 . LEU . 16485 1 85 . VAL . 16485 1 86 . PRO . 16485 1 87 . ARG . 16485 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16485 1 . VAL 2 2 16485 1 . GLN 3 3 16485 1 . SER 4 4 16485 1 . CYS 5 5 16485 1 . SER 6 6 16485 1 . ALA 7 7 16485 1 . TYR 8 8 16485 1 . GLY 9 9 16485 1 . CYS 10 10 16485 1 . LYS 11 11 16485 1 . ASN 12 12 16485 1 . ARG 13 13 16485 1 . TYR 14 14 16485 1 . ASP 15 15 16485 1 . LYS 16 16 16485 1 . ASP 17 17 16485 1 . LYS 18 18 16485 1 . PRO 19 19 16485 1 . VAL 20 20 16485 1 . SER 21 21 16485 1 . PHE 22 22 16485 1 . HIS 23 23 16485 1 . LYS 24 24 16485 1 . PHE 25 25 16485 1 . PRO 26 26 16485 1 . LEU 27 27 16485 1 . THR 28 28 16485 1 . ARG 29 29 16485 1 . PRO 30 30 16485 1 . SER 31 31 16485 1 . LEU 32 32 16485 1 . CYS 33 33 16485 1 . LYS 34 34 16485 1 . GLU 35 35 16485 1 . TRP 36 36 16485 1 . GLU 37 37 16485 1 . ALA 38 38 16485 1 . ALA 39 39 16485 1 . VAL 40 40 16485 1 . ARG 41 41 16485 1 . ARG 42 42 16485 1 . LYS 43 43 16485 1 . ASN 44 44 16485 1 . PHE 45 45 16485 1 . LYS 46 46 16485 1 . PRO 47 47 16485 1 . THR 48 48 16485 1 . LYS 49 49 16485 1 . TYR 50 50 16485 1 . SER 51 51 16485 1 . SER 52 52 16485 1 . ILE 53 53 16485 1 . CYS 54 54 16485 1 . SER 55 55 16485 1 . GLU 56 56 16485 1 . HIS 57 57 16485 1 . PHE 58 58 16485 1 . THR 59 59 16485 1 . PRO 60 60 16485 1 . ASP 61 61 16485 1 . SER 62 62 16485 1 . PHE 63 63 16485 1 . LYS 64 64 16485 1 . ARG 65 65 16485 1 . GLU 66 66 16485 1 . SER 67 67 16485 1 . ASN 68 68 16485 1 . ASN 69 69 16485 1 . LYS 70 70 16485 1 . LEU 71 71 16485 1 . LEU 72 72 16485 1 . LYS 73 73 16485 1 . GLU 74 74 16485 1 . ASN 75 75 16485 1 . ALA 76 76 16485 1 . VAL 77 77 16485 1 . PRO 78 78 16485 1 . THR 79 79 16485 1 . ILE 80 80 16485 1 . PHE 81 81 16485 1 . LEU 82 82 16485 1 . GLU 83 83 16485 1 . LEU 84 84 16485 1 . VAL 85 85 16485 1 . PRO 86 86 16485 1 . ARG 87 87 16485 1 stop_ save_ save_RRM1 _Entity.Sf_category entity _Entity.Sf_framecode RRM1 _Entity.Entry_ID 16485 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RRM1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCTTGTGTGGGCAGCGCGCT GCCCACACAAGC ; _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RRM1 oligonucleotide' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Specific THAP1 binding sequence element found in the RRM1 gene promoter' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RRM1 gene encodes for Ribonucleotide Reductase M1 subunit essential for S-phase DNA synthesis' 16485 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 88 DG . 16485 2 2 89 DC . 16485 2 3 90 DT . 16485 2 4 91 DT . 16485 2 5 92 DG . 16485 2 6 93 DT . 16485 2 7 94 DG . 16485 2 8 95 DT . 16485 2 9 96 DG . 16485 2 10 97 DG . 16485 2 11 98 DG . 16485 2 12 99 DC . 16485 2 13 100 DA . 16485 2 14 101 DG . 16485 2 15 102 DC . 16485 2 16 103 DG . 16485 2 17 104 DC . 16485 2 18 105 DG . 16485 2 19 106 DC . 16485 2 20 107 DT . 16485 2 21 108 DG . 16485 2 22 109 DC . 16485 2 23 110 DC . 16485 2 24 111 DC . 16485 2 25 112 DA . 16485 2 26 113 DC . 16485 2 27 114 DA . 16485 2 28 115 DC . 16485 2 29 116 DA . 16485 2 30 117 DA . 16485 2 31 118 DG . 16485 2 32 119 DC . 16485 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 . DG 1 1 16485 2 . DC 2 2 16485 2 . DT 3 3 16485 2 . DT 4 4 16485 2 . DG 5 5 16485 2 . DT 6 6 16485 2 . DG 7 7 16485 2 . DT 8 8 16485 2 . DG 9 9 16485 2 . DG 10 10 16485 2 . DG 11 11 16485 2 . DC 12 12 16485 2 . DA 13 13 16485 2 . DG 14 14 16485 2 . DC 15 15 16485 2 . DG 16 16 16485 2 . DC 17 17 16485 2 . DG 18 18 16485 2 . DC 19 19 16485 2 . DT 20 20 16485 2 . DG 21 21 16485 2 . DC 22 22 16485 2 . DC 23 23 16485 2 . DC 24 24 16485 2 . DA 25 25 16485 2 . DC 26 26 16485 2 . DA 27 27 16485 2 . DC 28 28 16485 2 . DA 29 29 16485 2 . DA 30 30 16485 2 . DG 31 31 16485 2 . DC 32 32 16485 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 16485 _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 3 _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 . 16485 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 16485 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $THAP_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 16485 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 16485 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $THAP_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET26 . . . 16485 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 16485 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _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 2008-12-05 _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.Atom_nomenclature_source . _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 Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 16485 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 16485 ZN [Zn++] SMILES CACTVS 3.341 16485 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 16485 ZN [Zn+2] SMILES ACDLabs 10.04 16485 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 16485 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16485 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 16485 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16485 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 . 16485 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16485 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N13C uniformly labelled THAP domain and unlabelled DNA (protein:DNA 1:1 at 1mM)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'THAP domain' '[U-100% 13C; U-100% 15N]' . . 1 $THAP_domain . . 1 . . mM . . . . 16485 1 2 RRM1 'natural abundance' . . 2 $RRM1 . . 1 . . mM . . . . 16485 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16485 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16485 1 5 NaCl 'natural abundance' . . . . . . 30 . . mM . . . . 16485 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16485 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Unlabelled DNA and protein' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'THAP domain' 'natural abundance' . . 1 $THAP_domain . . 1 . . mM . . . . 16485 2 2 RRM1 'natural abundance' . . 2 $RRM1 . . 1 . . mM . . . . 16485 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16485 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16485 2 5 NaCl 'natural abundance' . . . . . . 30 . . mM . . . . 16485 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16485 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.03 . M 16485 1 pH 6.8 . pH 16485 1 pressure 1 . atm 16485 1 temperature 296 . K 16485 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16485 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details CARA loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16485 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16485 1 'data analysis' 16485 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16485 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16485 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16485 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16485 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'EU NMR (Frankfort)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16485 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16485 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 950 'EU NMR (Frankfort)' . . 16485 1 2 spectrometer_2 Bruker Avance . 600 . . . 16485 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16485 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined by a combination of NOE derived restraints, hydrogen bonds, dihedral angles and RDCs.' 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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16485 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16485 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16485 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 11 '2D IPAP 15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 12 '2D 15N HSQC T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 13 '2D 15N HSQC T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 14 '2D 15N HSQC Heteronuclear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16485 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16485 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 16485 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16485 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 16485 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16485 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 16485 1 2 '3D CBCA(CO)NH' . . . 16485 1 3 '3D HNCO' . . . 16485 1 4 '3D HCCH-TOCSY' . . . 16485 1 5 '3D 1H-15N NOESY' . . . 16485 1 6 '3D 1H-13C NOESY' . . . 16485 1 7 '3D 1H-15N TOCSY' . . . 16485 1 8 '3D H(CCO)NH' . . . 16485 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 16485 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.909 0.04 . 1 . . . . . 1 MET H . 16485 1 2 . 1 1 1 1 MET HA H 1 4.160 0.04 . 1 . . . . . 1 MET HA . 16485 1 3 . 1 1 1 1 MET HB2 H 1 2.159 0.04 . 2 . . . . . 1 MET HB . 16485 1 4 . 1 1 1 1 MET HB3 H 1 2.159 0.04 . 2 . . . . . 1 MET HB . 16485 1 5 . 1 1 1 1 MET HE1 H 1 1.013 0.04 . 1 . . . . . 1 MET HE . 16485 1 6 . 1 1 1 1 MET HE2 H 1 1.013 0.04 . 1 . . . . . 1 MET HE . 16485 1 7 . 1 1 1 1 MET HE3 H 1 1.013 0.04 . 1 . . . . . 1 MET HE . 16485 1 8 . 1 1 1 1 MET HG2 H 1 2.473 0.04 . 2 . . . . . 1 MET HG . 16485 1 9 . 1 1 1 1 MET HG3 H 1 2.473 0.04 . 2 . . . . . 1 MET HG . 16485 1 10 . 1 1 1 1 MET CE C 13 17.579 0.4 . 1 . . . . . 1 MET CE . 16485 1 11 . 1 1 1 1 MET CG C 13 32.770 0.4 . 1 . . . . . 1 MET CG . 16485 1 12 . 1 1 1 1 MET N N 15 116.766 0.1 . 1 . . . . . 1 MET N . 16485 1 13 . 1 1 2 2 VAL HA H 1 4.708 0.04 . 1 . . . . . 2 VAL HA . 16485 1 14 . 1 1 2 2 VAL HB H 1 2.354 0.04 . 1 . . . . . 2 VAL HB . 16485 1 15 . 1 1 2 2 VAL HG11 H 1 0.981 0.04 . 2 . . . . . 2 VAL HG1 . 16485 1 16 . 1 1 2 2 VAL HG12 H 1 0.981 0.04 . 2 . . . . . 2 VAL HG1 . 16485 1 17 . 1 1 2 2 VAL HG13 H 1 0.981 0.04 . 2 . . . . . 2 VAL HG1 . 16485 1 18 . 1 1 2 2 VAL C C 13 175.216 0.4 . 1 . . . . . 2 VAL C . 16485 1 19 . 1 1 2 2 VAL CA C 13 63.204 0.4 . 1 . . . . . 2 VAL CA . 16485 1 20 . 1 1 2 2 VAL CB C 13 34.561 0.4 . 1 . . . . . 2 VAL CB . 16485 1 21 . 1 1 2 2 VAL CG1 C 13 20.774 0.4 . 1 . . . . . 2 VAL CG1 . 16485 1 22 . 1 1 3 3 GLN H H 1 8.118 0.04 . 1 . . . . . 3 GLN H . 16485 1 23 . 1 1 3 3 GLN HA H 1 3.928 0.04 . 1 . . . . . 3 GLN HA . 16485 1 24 . 1 1 3 3 GLN HB2 H 1 1.675 0.04 . 1 . . . . . 3 GLN HB2 . 16485 1 25 . 1 1 3 3 GLN HB3 H 1 1.126 0.04 . 1 . . . . . 3 GLN HB3 . 16485 1 26 . 1 1 3 3 GLN HG2 H 1 2.363 0.04 . 1 . . . . . 3 GLN HG2 . 16485 1 27 . 1 1 3 3 GLN HG3 H 1 2.112 0.04 . 1 . . . . . 3 GLN HG3 . 16485 1 28 . 1 1 3 3 GLN C C 13 173.737 0.4 . 1 . . . . . 3 GLN C . 16485 1 29 . 1 1 3 3 GLN CA C 13 58.081 0.4 . 1 . . . . . 3 GLN CA . 16485 1 30 . 1 1 3 3 GLN CB C 13 31.480 0.4 . 1 . . . . . 3 GLN CB . 16485 1 31 . 1 1 3 3 GLN CG C 13 36.354 0.4 . 1 . . . . . 3 GLN CG . 16485 1 32 . 1 1 3 3 GLN N N 15 125.394 0.1 . 1 . . . . . 3 GLN N . 16485 1 33 . 1 1 4 4 SER H H 1 8.226 0.04 . 1 . . . . . 4 SER H . 16485 1 34 . 1 1 4 4 SER HA H 1 5.157 0.04 . 1 . . . . . 4 SER HA . 16485 1 35 . 1 1 4 4 SER HB2 H 1 3.575 0.04 . 1 . . . . . 4 SER HB2 . 16485 1 36 . 1 1 4 4 SER HB3 H 1 4.274 0.04 . 1 . . . . . 4 SER HB3 . 16485 1 37 . 1 1 4 4 SER C C 13 172.463 0.4 . 1 . . . . . 4 SER C . 16485 1 38 . 1 1 4 4 SER CA C 13 57.064 0.4 . 1 . . . . . 4 SER CA . 16485 1 39 . 1 1 4 4 SER CB C 13 67.020 0.4 . 1 . . . . . 4 SER CB . 16485 1 40 . 1 1 4 4 SER N N 15 112.988 0.1 . 1 . . . . . 4 SER N . 16485 1 41 . 1 1 5 5 CYS H H 1 8.293 0.04 . 1 . . . . . 5 CYS H . 16485 1 42 . 1 1 5 5 CYS HA H 1 4.660 0.04 . 1 . . . . . 5 CYS HA . 16485 1 43 . 1 1 5 5 CYS HB2 H 1 3.257 0.04 . 1 . . . . . 5 CYS HB2 . 16485 1 44 . 1 1 5 5 CYS HB3 H 1 3.050 0.04 . 1 . . . . . 5 CYS HB3 . 16485 1 45 . 1 1 5 5 CYS C C 13 177.607 0.4 . 1 . . . . . 5 CYS C . 16485 1 46 . 1 1 5 5 CYS CA C 13 60.877 0.4 . 1 . . . . . 5 CYS CA . 16485 1 47 . 1 1 5 5 CYS CB C 13 32.266 0.4 . 1 . . . . . 5 CYS CB . 16485 1 48 . 1 1 5 5 CYS N N 15 122.026 0.1 . 1 . . . . . 5 CYS N . 16485 1 49 . 1 1 6 6 SER H H 1 9.610 0.04 . 1 . . . . . 6 SER H . 16485 1 50 . 1 1 6 6 SER HA H 1 4.846 0.04 . 1 . . . . . 6 SER HA . 16485 1 51 . 1 1 6 6 SER HB2 H 1 4.175 0.04 . 1 . . . . . 6 SER HB2 . 16485 1 52 . 1 1 6 6 SER HB3 H 1 4.131 0.04 . 1 . . . . . 6 SER HB3 . 16485 1 53 . 1 1 6 6 SER C C 13 173.737 0.4 . 1 . . . . . 6 SER C . 16485 1 54 . 1 1 6 6 SER CA C 13 61.657 0.4 . 1 . . . . . 6 SER CA . 16485 1 55 . 1 1 6 6 SER CB C 13 64.973 0.4 . 1 . . . . . 6 SER CB . 16485 1 56 . 1 1 6 6 SER N N 15 124.574 0.1 . 1 . . . . . 6 SER N . 16485 1 57 . 1 1 7 7 ALA H H 1 9.574 0.04 . 1 . . . . . 7 ALA H . 16485 1 58 . 1 1 7 7 ALA HA H 1 3.914 0.04 . 1 . . . . . 7 ALA HA . 16485 1 59 . 1 1 7 7 ALA HB1 H 1 1.135 0.04 . 1 . . . . . 7 ALA HB . 16485 1 60 . 1 1 7 7 ALA HB2 H 1 1.135 0.04 . 1 . . . . . 7 ALA HB . 16485 1 61 . 1 1 7 7 ALA HB3 H 1 1.135 0.04 . 1 . . . . . 7 ALA HB . 16485 1 62 . 1 1 7 7 ALA C C 13 177.772 0.4 . 1 . . . . . 7 ALA C . 16485 1 63 . 1 1 7 7 ALA CA C 13 53.734 0.4 . 1 . . . . . 7 ALA CA . 16485 1 64 . 1 1 7 7 ALA CB C 13 18.739 0.4 . 1 . . . . . 7 ALA CB . 16485 1 65 . 1 1 7 7 ALA N N 15 126.896 0.1 . 1 . . . . . 7 ALA N . 16485 1 66 . 1 1 8 8 TYR H H 1 8.764 0.04 . 1 . . . . . 8 TYR H . 16485 1 67 . 1 1 8 8 TYR HA H 1 4.169 0.04 . 1 . . . . . 8 TYR HA . 16485 1 68 . 1 1 8 8 TYR HB2 H 1 2.818 0.04 . 1 . . . . . 8 TYR HB2 . 16485 1 69 . 1 1 8 8 TYR HB3 H 1 2.892 0.04 . 1 . . . . . 8 TYR HB3 . 16485 1 70 . 1 1 8 8 TYR HD1 H 1 7.030 0.04 . 3 . . . . . 8 TYR HD . 16485 1 71 . 1 1 8 8 TYR HD2 H 1 7.030 0.04 . 3 . . . . . 8 TYR HD . 16485 1 72 . 1 1 8 8 TYR HE1 H 1 6.822 0.04 . 3 . . . . . 8 TYR HE . 16485 1 73 . 1 1 8 8 TYR HE2 H 1 6.822 0.04 . 3 . . . . . 8 TYR HE . 16485 1 74 . 1 1 8 8 TYR C C 13 176.954 0.4 . 1 . . . . . 8 TYR C . 16485 1 75 . 1 1 8 8 TYR CA C 13 60.370 0.4 . 1 . . . . . 8 TYR CA . 16485 1 76 . 1 1 8 8 TYR CB C 13 38.646 0.4 . 1 . . . . . 8 TYR CB . 16485 1 77 . 1 1 8 8 TYR CD1 C 13 133.466 0.4 . 3 . . . . . 8 TYR CD1 . 16485 1 78 . 1 1 8 8 TYR CE1 C 13 118.573 0.4 . 3 . . . . . 8 TYR CE1 . 16485 1 79 . 1 1 8 8 TYR N N 15 124.177 0.1 . 1 . . . . . 8 TYR N . 16485 1 80 . 1 1 9 9 GLY H H 1 8.550 0.04 . 1 . . . . . 9 GLY H . 16485 1 81 . 1 1 9 9 GLY HA2 H 1 3.766 0.04 . 1 . . . . . 9 GLY HA2 . 16485 1 82 . 1 1 9 9 GLY HA3 H 1 3.295 0.04 . 1 . . . . . 9 GLY HA3 . 16485 1 83 . 1 1 9 9 GLY C C 13 172.857 0.4 . 1 . . . . . 9 GLY C . 16485 1 84 . 1 1 9 9 GLY CA C 13 45.557 0.4 . 1 . . . . . 9 GLY CA . 16485 1 85 . 1 1 9 9 GLY N N 15 115.548 0.1 . 1 . . . . . 9 GLY N . 16485 1 86 . 1 1 10 10 CYS H H 1 7.605 0.04 . 1 . . . . . 10 CYS H . 16485 1 87 . 1 1 10 10 CYS HA H 1 4.409 0.04 . 1 . . . . . 10 CYS HA . 16485 1 88 . 1 1 10 10 CYS HB2 H 1 3.198 0.04 . 1 . . . . . 10 CYS HB2 . 16485 1 89 . 1 1 10 10 CYS HB3 H 1 2.756 0.04 . 1 . . . . . 10 CYS HB3 . 16485 1 90 . 1 1 10 10 CYS CA C 13 60.681 0.4 . 1 . . . . . 10 CYS CA . 16485 1 91 . 1 1 10 10 CYS CB C 13 31.746 0.4 . 1 . . . . . 10 CYS CB . 16485 1 92 . 1 1 10 10 CYS N N 15 122.861 0.1 . 1 . . . . . 10 CYS N . 16485 1 93 . 1 1 11 11 LYS H H 1 8.969 0.04 . 1 . . . . . 11 LYS H . 16485 1 94 . 1 1 11 11 LYS HA H 1 4.568 0.04 . 1 . . . . . 11 LYS HA . 16485 1 95 . 1 1 11 11 LYS HB2 H 1 2.143 0.04 . 1 . . . . . 11 LYS HB2 . 16485 1 96 . 1 1 11 11 LYS HB3 H 1 1.902 0.04 . 1 . . . . . 11 LYS HB3 . 16485 1 97 . 1 1 11 11 LYS C C 13 176.983 0.4 . 1 . . . . . 11 LYS C . 16485 1 98 . 1 1 11 11 LYS CA C 13 55.511 0.4 . 1 . . . . . 11 LYS CA . 16485 1 99 . 1 1 11 11 LYS CB C 13 32.038 0.4 . 1 . . . . . 11 LYS CB . 16485 1 100 . 1 1 12 12 ASN H H 1 8.819 0.04 . 1 . . . . . 12 ASN H . 16485 1 101 . 1 1 12 12 ASN HA H 1 4.734 0.04 . 1 . . . . . 12 ASN HA . 16485 1 102 . 1 1 12 12 ASN HB2 H 1 3.148 0.04 . 1 . . . . . 12 ASN HB2 . 16485 1 103 . 1 1 12 12 ASN HB3 H 1 2.697 0.04 . 1 . . . . . 12 ASN HB3 . 16485 1 104 . 1 1 12 12 ASN HD21 H 1 8.641 0.04 . 2 . . . . . 12 ASN HD2 . 16485 1 105 . 1 1 12 12 ASN HD22 H 1 8.641 0.04 . 2 . . . . . 12 ASN HD2 . 16485 1 106 . 1 1 12 12 ASN C C 13 176.198 0.4 . 1 . . . . . 12 ASN C . 16485 1 107 . 1 1 12 12 ASN CA C 13 55.382 0.4 . 1 . . . . . 12 ASN CA . 16485 1 108 . 1 1 12 12 ASN CB C 13 38.261 0.4 . 1 . . . . . 12 ASN CB . 16485 1 109 . 1 1 12 12 ASN N N 15 122.558 0.1 . 1 . . . . . 12 ASN N . 16485 1 110 . 1 1 13 13 ARG H H 1 8.389 0.04 . 1 . . . . . 13 ARG H . 16485 1 111 . 1 1 13 13 ARG HA H 1 4.983 0.04 . 1 . . . . . 13 ARG HA . 16485 1 112 . 1 1 13 13 ARG HB2 H 1 1.747 0.04 . 1 . . . . . 13 ARG HB2 . 16485 1 113 . 1 1 13 13 ARG HB3 H 1 1.524 0.04 . 1 . . . . . 13 ARG HB3 . 16485 1 114 . 1 1 13 13 ARG HD2 H 1 3.485 0.04 . 1 . . . . . 13 ARG HD2 . 16485 1 115 . 1 1 13 13 ARG HD3 H 1 3.006 0.04 . 1 . . . . . 13 ARG HD3 . 16485 1 116 . 1 1 13 13 ARG HE H 1 6.961 0.04 . 1 . . . . . 13 ARG HE . 16485 1 117 . 1 1 13 13 ARG HG2 H 1 1.874 0.04 . 2 . . . . . 13 ARG HG . 16485 1 118 . 1 1 13 13 ARG HG3 H 1 1.874 0.04 . 2 . . . . . 13 ARG HG . 16485 1 119 . 1 1 13 13 ARG C C 13 176.479 0.4 . 1 . . . . . 13 ARG C . 16485 1 120 . 1 1 13 13 ARG CA C 13 54.472 0.4 . 1 . . . . . 13 ARG CA . 16485 1 121 . 1 1 13 13 ARG CB C 13 33.909 0.4 . 1 . . . . . 13 ARG CB . 16485 1 122 . 1 1 13 13 ARG CD C 13 43.778 0.4 . 1 . . . . . 13 ARG CD . 16485 1 123 . 1 1 13 13 ARG CG C 13 28.800 0.4 . 1 . . . . . 13 ARG CG . 16485 1 124 . 1 1 13 13 ARG N N 15 119.820 0.1 . 1 . . . . . 13 ARG N . 16485 1 125 . 1 1 14 14 TYR H H 1 8.361 0.04 . 1 . . . . . 14 TYR H . 16485 1 126 . 1 1 14 14 TYR HA H 1 3.785 0.04 . 1 . . . . . 14 TYR HA . 16485 1 127 . 1 1 14 14 TYR HB2 H 1 2.376 0.04 . 1 . . . . . 14 TYR HB2 . 16485 1 128 . 1 1 14 14 TYR HB3 H 1 2.169 0.04 . 1 . . . . . 14 TYR HB3 . 16485 1 129 . 1 1 14 14 TYR HD1 H 1 6.972 0.04 . 3 . . . . . 14 TYR HD . 16485 1 130 . 1 1 14 14 TYR HD2 H 1 6.972 0.04 . 3 . . . . . 14 TYR HD . 16485 1 131 . 1 1 14 14 TYR HE1 H 1 7.227 0.04 . 3 . . . . . 14 TYR HE . 16485 1 132 . 1 1 14 14 TYR HE2 H 1 7.227 0.04 . 3 . . . . . 14 TYR HE . 16485 1 133 . 1 1 14 14 TYR C C 13 173.947 0.4 . 1 . . . . . 14 TYR C . 16485 1 134 . 1 1 14 14 TYR CA C 13 61.847 0.4 . 1 . . . . . 14 TYR CA . 16485 1 135 . 1 1 14 14 TYR CB C 13 38.631 0.4 . 1 . . . . . 14 TYR CB . 16485 1 136 . 1 1 14 14 TYR N N 15 124.643 0.1 . 1 . . . . . 14 TYR N . 16485 1 137 . 1 1 15 15 ASP H H 1 7.265 0.04 . 1 . . . . . 15 ASP H . 16485 1 138 . 1 1 15 15 ASP HA H 1 4.113 0.04 . 1 . . . . . 15 ASP HA . 16485 1 139 . 1 1 15 15 ASP HB2 H 1 2.491 0.04 . 2 . . . . . 15 ASP HB . 16485 1 140 . 1 1 15 15 ASP HB3 H 1 2.491 0.04 . 2 . . . . . 15 ASP HB . 16485 1 141 . 1 1 15 15 ASP C C 13 176.264 0.4 . 1 . . . . . 15 ASP C . 16485 1 142 . 1 1 15 15 ASP CA C 13 53.237 0.4 . 1 . . . . . 15 ASP CA . 16485 1 143 . 1 1 15 15 ASP CB C 13 43.610 0.4 . 1 . . . . . 15 ASP CB . 16485 1 144 . 1 1 15 15 ASP N N 15 127.443 0.1 . 1 . . . . . 15 ASP N . 16485 1 145 . 1 1 16 16 LYS H H 1 8.969 0.04 . 1 . . . . . 16 LYS H . 16485 1 146 . 1 1 16 16 LYS HA H 1 4.070 0.04 . 1 . . . . . 16 LYS HA . 16485 1 147 . 1 1 16 16 LYS HB2 H 1 2.150 0.04 . 1 . . . . . 16 LYS HB2 . 16485 1 148 . 1 1 16 16 LYS HB3 H 1 1.893 0.04 . 1 . . . . . 16 LYS HB3 . 16485 1 149 . 1 1 16 16 LYS HD2 H 1 1.832 0.04 . 2 . . . . . 16 LYS HD . 16485 1 150 . 1 1 16 16 LYS HD3 H 1 1.832 0.04 . 2 . . . . . 16 LYS HD . 16485 1 151 . 1 1 16 16 LYS HE2 H 1 3.057 0.04 . 2 . . . . . 16 LYS HE . 16485 1 152 . 1 1 16 16 LYS HE3 H 1 3.057 0.04 . 2 . . . . . 16 LYS HE . 16485 1 153 . 1 1 16 16 LYS HG2 H 1 1.518 0.04 . 1 . . . . . 16 LYS HG2 . 16485 1 154 . 1 1 16 16 LYS HG3 H 1 1.464 0.04 . 1 . . . . . 16 LYS HG3 . 16485 1 155 . 1 1 16 16 LYS C C 13 176.735 0.4 . 1 . . . . . 16 LYS C . 16485 1 156 . 1 1 16 16 LYS CA C 13 59.095 0.4 . 1 . . . . . 16 LYS CA . 16485 1 157 . 1 1 16 16 LYS CB C 13 32.534 0.4 . 1 . . . . . 16 LYS CB . 16485 1 158 . 1 1 16 16 LYS CD C 13 29.718 0.4 . 1 . . . . . 16 LYS CD . 16485 1 159 . 1 1 16 16 LYS CE C 13 42.503 0.4 . 1 . . . . . 16 LYS CE . 16485 1 160 . 1 1 16 16 LYS CG C 13 24.148 0.4 . 1 . . . . . 16 LYS CG . 16485 1 161 . 1 1 16 16 LYS N N 15 129.006 0.1 . 1 . . . . . 16 LYS N . 16485 1 162 . 1 1 17 17 ASP H H 1 8.535 0.04 . 1 . . . . . 17 ASP H . 16485 1 163 . 1 1 17 17 ASP HA H 1 4.678 0.04 . 1 . . . . . 17 ASP HA . 16485 1 164 . 1 1 17 17 ASP HB2 H 1 2.784 0.04 . 1 . . . . . 17 ASP HB2 . 16485 1 165 . 1 1 17 17 ASP HB3 H 1 2.544 0.04 . 1 . . . . . 17 ASP HB3 . 16485 1 166 . 1 1 17 17 ASP C C 13 175.996 0.4 . 1 . . . . . 17 ASP C . 16485 1 167 . 1 1 17 17 ASP CA C 13 55.014 0.4 . 1 . . . . . 17 ASP CA . 16485 1 168 . 1 1 17 17 ASP CB C 13 41.522 0.4 . 1 . . . . . 17 ASP CB . 16485 1 169 . 1 1 17 17 ASP N N 15 117.298 0.1 . 1 . . . . . 17 ASP N . 16485 1 170 . 1 1 18 18 LYS H H 1 7.996 0.04 . 1 . . . . . 18 LYS H . 16485 1 171 . 1 1 18 18 LYS HA H 1 4.835 0.04 . 1 . . . . . 18 LYS HA . 16485 1 172 . 1 1 18 18 LYS HB2 H 1 1.880 0.04 . 1 . . . . . 18 LYS HB2 . 16485 1 173 . 1 1 18 18 LYS HB3 H 1 1.753 0.04 . 1 . . . . . 18 LYS HB3 . 16485 1 174 . 1 1 18 18 LYS HD2 H 1 1.741 0.04 . 2 . . . . . 18 LYS HD . 16485 1 175 . 1 1 18 18 LYS HD3 H 1 1.741 0.04 . 2 . . . . . 18 LYS HD . 16485 1 176 . 1 1 18 18 LYS HE2 H 1 2.965 0.04 . 2 . . . . . 18 LYS HE . 16485 1 177 . 1 1 18 18 LYS HE3 H 1 2.965 0.04 . 2 . . . . . 18 LYS HE . 16485 1 178 . 1 1 18 18 LYS HG2 H 1 1.393 0.04 . 1 . . . . . 18 LYS HG2 . 16485 1 179 . 1 1 18 18 LYS HG3 H 1 1.285 0.04 . 1 . . . . . 18 LYS HG3 . 16485 1 180 . 1 1 18 18 LYS CA C 13 53.000 0.4 . 1 . . . . . 18 LYS CA . 16485 1 181 . 1 1 18 18 LYS CB C 13 34.311 0.4 . 1 . . . . . 18 LYS CB . 16485 1 182 . 1 1 18 18 LYS CD C 13 29.436 0.4 . 1 . . . . . 18 LYS CD . 16485 1 183 . 1 1 18 18 LYS CG C 13 25.354 0.4 . 1 . . . . . 18 LYS CG . 16485 1 184 . 1 1 18 18 LYS N N 15 120.555 0.1 . 1 . . . . . 18 LYS N . 16485 1 185 . 1 1 19 19 PRO HA H 1 4.724 0.04 . 1 . . . . . 19 PRO HA . 16485 1 186 . 1 1 19 19 PRO HB2 H 1 2.317 0.04 . 1 . . . . . 19 PRO HB2 . 16485 1 187 . 1 1 19 19 PRO HB3 H 1 1.809 0.04 . 1 . . . . . 19 PRO HB3 . 16485 1 188 . 1 1 19 19 PRO HD2 H 1 3.645 0.04 . 2 . . . . . 19 PRO HD . 16485 1 189 . 1 1 19 19 PRO HD3 H 1 3.645 0.04 . 2 . . . . . 19 PRO HD . 16485 1 190 . 1 1 19 19 PRO HG2 H 1 1.806 0.04 . 2 . . . . . 19 PRO HG . 16485 1 191 . 1 1 19 19 PRO HG3 H 1 1.806 0.04 . 2 . . . . . 19 PRO HG . 16485 1 192 . 1 1 19 19 PRO C C 13 175.265 0.4 . 1 . . . . . 19 PRO C . 16485 1 193 . 1 1 19 19 PRO CA C 13 63.207 0.4 . 1 . . . . . 19 PRO CA . 16485 1 194 . 1 1 19 19 PRO CB C 13 28.496 0.4 . 1 . . . . . 19 PRO CB . 16485 1 195 . 1 1 19 19 PRO CD C 13 50.469 0.4 . 1 . . . . . 19 PRO CD . 16485 1 196 . 1 1 19 19 PRO CG C 13 27.398 0.4 . 1 . . . . . 19 PRO CG . 16485 1 197 . 1 1 20 20 VAL H H 1 7.915 0.04 . 1 . . . . . 20 VAL H . 16485 1 198 . 1 1 20 20 VAL HA H 1 3.947 0.04 . 1 . . . . . 20 VAL HA . 16485 1 199 . 1 1 20 20 VAL HB H 1 1.886 0.04 . 1 . . . . . 20 VAL HB . 16485 1 200 . 1 1 20 20 VAL HG11 H 1 0.770 0.04 . 2 . . . . . 20 VAL HG1 . 16485 1 201 . 1 1 20 20 VAL HG12 H 1 0.770 0.04 . 2 . . . . . 20 VAL HG1 . 16485 1 202 . 1 1 20 20 VAL HG13 H 1 0.770 0.04 . 2 . . . . . 20 VAL HG1 . 16485 1 203 . 1 1 20 20 VAL HG21 H 1 0.794 0.04 . 2 . . . . . 20 VAL HG2 . 16485 1 204 . 1 1 20 20 VAL HG22 H 1 0.794 0.04 . 2 . . . . . 20 VAL HG2 . 16485 1 205 . 1 1 20 20 VAL HG23 H 1 0.794 0.04 . 2 . . . . . 20 VAL HG2 . 16485 1 206 . 1 1 20 20 VAL C C 13 175.169 0.4 . 1 . . . . . 20 VAL C . 16485 1 207 . 1 1 20 20 VAL CA C 13 62.734 0.4 . 1 . . . . . 20 VAL CA . 16485 1 208 . 1 1 20 20 VAL CB C 13 34.536 0.4 . 1 . . . . . 20 VAL CB . 16485 1 209 . 1 1 20 20 VAL CG1 C 13 21.786 0.4 . 1 . . . . . 20 VAL CG1 . 16485 1 210 . 1 1 20 20 VAL CG2 C 13 22.845 0.4 . 1 . . . . . 20 VAL CG2 . 16485 1 211 . 1 1 20 20 VAL N N 15 124.133 0.1 . 1 . . . . . 20 VAL N . 16485 1 212 . 1 1 21 21 SER H H 1 8.585 0.04 . 1 . . . . . 21 SER H . 16485 1 213 . 1 1 21 21 SER HA H 1 4.962 0.04 . 1 . . . . . 21 SER HA . 16485 1 214 . 1 1 21 21 SER HB2 H 1 3.867 0.04 . 1 . . . . . 21 SER HB2 . 16485 1 215 . 1 1 21 21 SER HB3 H 1 3.699 0.04 . 1 . . . . . 21 SER HB3 . 16485 1 216 . 1 1 21 21 SER C C 13 172.167 0.4 . 1 . . . . . 21 SER C . 16485 1 217 . 1 1 21 21 SER CA C 13 57.308 0.4 . 1 . . . . . 21 SER CA . 16485 1 218 . 1 1 21 21 SER CB C 13 64.791 0.4 . 1 . . . . . 21 SER CB . 16485 1 219 . 1 1 21 21 SER N N 15 123.805 0.1 . 1 . . . . . 21 SER N . 16485 1 220 . 1 1 22 22 PHE H H 1 8.948 0.04 . 1 . . . . . 22 PHE H . 16485 1 221 . 1 1 22 22 PHE HA H 1 4.110 0.04 . 1 . . . . . 22 PHE HA . 16485 1 222 . 1 1 22 22 PHE HB2 H 1 2.861 0.04 . 2 . . . . . 22 PHE HB . 16485 1 223 . 1 1 22 22 PHE HB3 H 1 2.861 0.04 . 2 . . . . . 22 PHE HB . 16485 1 224 . 1 1 22 22 PHE HD1 H 1 6.583 0.04 . 3 . . . . . 22 PHE HD . 16485 1 225 . 1 1 22 22 PHE HD2 H 1 6.583 0.04 . 3 . . . . . 22 PHE HD . 16485 1 226 . 1 1 22 22 PHE HE1 H 1 7.111 0.04 . 3 . . . . . 22 PHE HE . 16485 1 227 . 1 1 22 22 PHE HE2 H 1 7.111 0.04 . 3 . . . . . 22 PHE HE . 16485 1 228 . 1 1 22 22 PHE C C 13 175.320 0.4 . 1 . . . . . 22 PHE C . 16485 1 229 . 1 1 22 22 PHE CA C 13 59.345 0.4 . 1 . . . . . 22 PHE CA . 16485 1 230 . 1 1 22 22 PHE CB C 13 42.489 0.4 . 1 . . . . . 22 PHE CB . 16485 1 231 . 1 1 22 22 PHE CD1 C 13 128.661 0.4 . 3 . . . . . 22 PHE CD1 . 16485 1 232 . 1 1 22 22 PHE N N 15 120.524 0.1 . 1 . . . . . 22 PHE N . 16485 1 233 . 1 1 23 23 HIS H H 1 8.040 0.04 . 1 . . . . . 23 HIS H . 16485 1 234 . 1 1 23 23 HIS HA H 1 4.719 0.04 . 1 . . . . . 23 HIS HA . 16485 1 235 . 1 1 23 23 HIS HB2 H 1 3.491 0.04 . 1 . . . . . 23 HIS HB2 . 16485 1 236 . 1 1 23 23 HIS HB3 H 1 3.384 0.04 . 1 . . . . . 23 HIS HB3 . 16485 1 237 . 1 1 23 23 HIS HE1 H 1 7.827 0.04 . 1 . . . . . 23 HIS HE1 . 16485 1 238 . 1 1 23 23 HIS C C 13 174.830 0.4 . 1 . . . . . 23 HIS C . 16485 1 239 . 1 1 23 23 HIS CA C 13 56.823 0.4 . 1 . . . . . 23 HIS CA . 16485 1 240 . 1 1 23 23 HIS CB C 13 30.533 0.4 . 1 . . . . . 23 HIS CB . 16485 1 241 . 1 1 23 23 HIS CE1 C 13 133.172 0.4 . 1 . . . . . 23 HIS CE1 . 16485 1 242 . 1 1 23 23 HIS N N 15 123.883 0.1 . 1 . . . . . 23 HIS N . 16485 1 243 . 1 1 24 24 LYS H H 1 9.682 0.04 . 1 . . . . . 24 LYS H . 16485 1 244 . 1 1 24 24 LYS HA H 1 4.827 0.04 . 1 . . . . . 24 LYS HA . 16485 1 245 . 1 1 24 24 LYS HB2 H 1 1.921 0.04 . 1 . . . . . 24 LYS HB2 . 16485 1 246 . 1 1 24 24 LYS HB3 H 1 1.868 0.04 . 1 . . . . . 24 LYS HB3 . 16485 1 247 . 1 1 24 24 LYS C C 13 177.275 0.4 . 1 . . . . . 24 LYS C . 16485 1 248 . 1 1 24 24 LYS CA C 13 54.751 0.4 . 1 . . . . . 24 LYS CA . 16485 1 249 . 1 1 24 24 LYS CB C 13 24.884 0.4 . 1 . . . . . 24 LYS CB . 16485 1 250 . 1 1 24 24 LYS N N 15 123.401 0.1 . 1 . . . . . 24 LYS N . 16485 1 251 . 1 1 25 25 PHE H H 1 8.595 0.04 . 1 . . . . . 25 PHE H . 16485 1 252 . 1 1 25 25 PHE HA H 1 4.052 0.04 . 1 . . . . . 25 PHE HA . 16485 1 253 . 1 1 25 25 PHE HB2 H 1 3.076 0.04 . 1 . . . . . 25 PHE HB2 . 16485 1 254 . 1 1 25 25 PHE HB3 H 1 2.600 0.04 . 1 . . . . . 25 PHE HB3 . 16485 1 255 . 1 1 25 25 PHE HD1 H 1 7.619 0.04 . 3 . . . . . 25 PHE HD . 16485 1 256 . 1 1 25 25 PHE HD2 H 1 7.619 0.04 . 3 . . . . . 25 PHE HD . 16485 1 257 . 1 1 25 25 PHE HE1 H 1 7.374 0.04 . 3 . . . . . 25 PHE HE . 16485 1 258 . 1 1 25 25 PHE HE2 H 1 7.374 0.04 . 3 . . . . . 25 PHE HE . 16485 1 259 . 1 1 25 25 PHE CA C 13 56.313 0.4 . 1 . . . . . 25 PHE CA . 16485 1 260 . 1 1 25 25 PHE CB C 13 38.438 0.4 . 1 . . . . . 25 PHE CB . 16485 1 261 . 1 1 25 25 PHE CD1 C 13 132.952 0.4 . 3 . . . . . 25 PHE CD1 . 16485 1 262 . 1 1 25 25 PHE CE1 C 13 131.375 0.4 . 3 . . . . . 25 PHE CE1 . 16485 1 263 . 1 1 25 25 PHE N N 15 117.761 0.1 . 1 . . . . . 25 PHE N . 16485 1 264 . 1 1 26 26 PRO HA H 1 4.747 0.04 . 1 . . . . . 26 PRO HA . 16485 1 265 . 1 1 26 26 PRO HB2 H 1 2.069 0.04 . 2 . . . . . 26 PRO HB . 16485 1 266 . 1 1 26 26 PRO HB3 H 1 2.069 0.04 . 2 . . . . . 26 PRO HB . 16485 1 267 . 1 1 26 26 PRO HD2 H 1 2.234 0.04 . 1 . . . . . 26 PRO HD2 . 16485 1 268 . 1 1 26 26 PRO HD3 H 1 1.212 0.04 . 1 . . . . . 26 PRO HD3 . 16485 1 269 . 1 1 26 26 PRO HG2 H 1 1.052 0.04 . 1 . . . . . 26 PRO HG2 . 16485 1 270 . 1 1 26 26 PRO HG3 H 1 0.836 0.04 . 1 . . . . . 26 PRO HG3 . 16485 1 271 . 1 1 26 26 PRO C C 13 176.484 0.4 . 1 . . . . . 26 PRO C . 16485 1 272 . 1 1 26 26 PRO CA C 13 61.127 0.4 . 1 . . . . . 26 PRO CA . 16485 1 273 . 1 1 26 26 PRO CB C 13 27.659 0.4 . 1 . . . . . 26 PRO CB . 16485 1 274 . 1 1 26 26 PRO CD C 13 49.128 0.4 . 1 . . . . . 26 PRO CD . 16485 1 275 . 1 1 26 26 PRO CG C 13 26.926 0.4 . 1 . . . . . 26 PRO CG . 16485 1 276 . 1 1 27 27 LEU H H 1 8.082 0.04 . 1 . . . . . 27 LEU H . 16485 1 277 . 1 1 27 27 LEU HA H 1 3.862 0.04 . 1 . . . . . 27 LEU HA . 16485 1 278 . 1 1 27 27 LEU HB2 H 1 1.744 0.04 . 1 . . . . . 27 LEU HB2 . 16485 1 279 . 1 1 27 27 LEU HB3 H 1 1.413 0.04 . 1 . . . . . 27 LEU HB3 . 16485 1 280 . 1 1 27 27 LEU HD11 H 1 0.690 0.04 . 2 . . . . . 27 LEU HD1 . 16485 1 281 . 1 1 27 27 LEU HD12 H 1 0.690 0.04 . 2 . . . . . 27 LEU HD1 . 16485 1 282 . 1 1 27 27 LEU HD13 H 1 0.690 0.04 . 2 . . . . . 27 LEU HD1 . 16485 1 283 . 1 1 27 27 LEU HD21 H 1 0.645 0.04 . 2 . . . . . 27 LEU HD2 . 16485 1 284 . 1 1 27 27 LEU HD22 H 1 0.645 0.04 . 2 . . . . . 27 LEU HD2 . 16485 1 285 . 1 1 27 27 LEU HD23 H 1 0.645 0.04 . 2 . . . . . 27 LEU HD2 . 16485 1 286 . 1 1 27 27 LEU HG H 1 1.556 0.04 . 1 . . . . . 27 LEU HG . 16485 1 287 . 1 1 27 27 LEU C C 13 179.096 0.4 . 1 . . . . . 27 LEU C . 16485 1 288 . 1 1 27 27 LEU CA C 13 58.323 0.4 . 1 . . . . . 27 LEU CA . 16485 1 289 . 1 1 27 27 LEU CB C 13 42.498 0.4 . 1 . . . . . 27 LEU CB . 16485 1 290 . 1 1 27 27 LEU CD1 C 13 25.135 0.4 . 1 . . . . . 27 LEU CD1 . 16485 1 291 . 1 1 27 27 LEU CD2 C 13 23.569 0.4 . 1 . . . . . 27 LEU CD2 . 16485 1 292 . 1 1 27 27 LEU CG C 13 27.431 0.4 . 1 . . . . . 27 LEU CG . 16485 1 293 . 1 1 27 27 LEU N N 15 122.381 0.1 . 1 . . . . . 27 LEU N . 16485 1 294 . 1 1 28 28 THR H H 1 7.839 0.04 . 1 . . . . . 28 THR H . 16485 1 295 . 1 1 28 28 THR HA H 1 4.283 0.04 . 1 . . . . . 28 THR HA . 16485 1 296 . 1 1 28 28 THR HB H 1 4.577 0.04 . 1 . . . . . 28 THR HB . 16485 1 297 . 1 1 28 28 THR HG21 H 1 1.287 0.04 . 1 . . . . . 28 THR HG2 . 16485 1 298 . 1 1 28 28 THR HG22 H 1 1.287 0.04 . 1 . . . . . 28 THR HG2 . 16485 1 299 . 1 1 28 28 THR HG23 H 1 1.287 0.04 . 1 . . . . . 28 THR HG2 . 16485 1 300 . 1 1 28 28 THR C C 13 174.189 0.4 . 1 . . . . . 28 THR C . 16485 1 301 . 1 1 28 28 THR CA C 13 62.152 0.4 . 1 . . . . . 28 THR CA . 16485 1 302 . 1 1 28 28 THR CB C 13 69.290 0.4 . 1 . . . . . 28 THR CB . 16485 1 303 . 1 1 28 28 THR CG2 C 13 22.303 0.4 . 1 . . . . . 28 THR CG2 . 16485 1 304 . 1 1 28 28 THR N N 15 104.724 0.1 . 1 . . . . . 28 THR N . 16485 1 305 . 1 1 29 29 ARG H H 1 7.740 0.04 . 1 . . . . . 29 ARG H . 16485 1 306 . 1 1 29 29 ARG HA H 1 4.910 0.04 . 1 . . . . . 29 ARG HA . 16485 1 307 . 1 1 29 29 ARG HB2 H 1 1.933 0.04 . 1 . . . . . 29 ARG HB2 . 16485 1 308 . 1 1 29 29 ARG HB3 H 1 1.833 0.04 . 1 . . . . . 29 ARG HB3 . 16485 1 309 . 1 1 29 29 ARG HD2 H 1 3.260 0.04 . 1 . . . . . 29 ARG HD2 . 16485 1 310 . 1 1 29 29 ARG HD3 H 1 3.133 0.04 . 1 . . . . . 29 ARG HD3 . 16485 1 311 . 1 1 29 29 ARG HE H 1 6.998 0.04 . 1 . . . . . 29 ARG HE . 16485 1 312 . 1 1 29 29 ARG HG2 H 1 1.663 0.04 . 1 . . . . . 29 ARG HG2 . 16485 1 313 . 1 1 29 29 ARG HG3 H 1 1.478 0.04 . 1 . . . . . 29 ARG HG3 . 16485 1 314 . 1 1 29 29 ARG HH11 H 1 6.689 0.04 . 2 . . . . . 29 ARG HH1 . 16485 1 315 . 1 1 29 29 ARG HH12 H 1 6.689 0.04 . 2 . . . . . 29 ARG HH1 . 16485 1 316 . 1 1 29 29 ARG CA C 13 53.960 0.4 . 1 . . . . . 29 ARG CA . 16485 1 317 . 1 1 29 29 ARG CB C 13 31.131 0.4 . 1 . . . . . 29 ARG CB . 16485 1 318 . 1 1 29 29 ARG CD C 13 44.273 0.4 . 1 . . . . . 29 ARG CD . 16485 1 319 . 1 1 29 29 ARG CG C 13 26.677 0.4 . 1 . . . . . 29 ARG CG . 16485 1 320 . 1 1 29 29 ARG N N 15 123.351 0.1 . 1 . . . . . 29 ARG N . 16485 1 321 . 1 1 29 29 ARG NH1 N 15 109.273 0.1 . 2 . . . . . 29 ARG NH1 . 16485 1 322 . 1 1 30 30 PRO HA H 1 4.095 0.04 . 1 . . . . . 30 PRO HA . 16485 1 323 . 1 1 30 30 PRO HB2 H 1 2.407 0.04 . 1 . . . . . 30 PRO HB2 . 16485 1 324 . 1 1 30 30 PRO HB3 H 1 1.994 0.04 . 1 . . . . . 30 PRO HB3 . 16485 1 325 . 1 1 30 30 PRO HD2 H 1 3.774 0.04 . 1 . . . . . 30 PRO HD2 . 16485 1 326 . 1 1 30 30 PRO HD3 H 1 3.574 0.04 . 1 . . . . . 30 PRO HD3 . 16485 1 327 . 1 1 30 30 PRO HG2 H 1 2.120 0.04 . 1 . . . . . 30 PRO HG2 . 16485 1 328 . 1 1 30 30 PRO HG3 H 1 1.975 0.04 . 1 . . . . . 30 PRO HG3 . 16485 1 329 . 1 1 30 30 PRO C C 13 178.948 0.4 . 1 . . . . . 30 PRO C . 16485 1 330 . 1 1 30 30 PRO CA C 13 66.495 0.4 . 1 . . . . . 30 PRO CA . 16485 1 331 . 1 1 30 30 PRO CB C 13 32.510 0.4 . 1 . . . . . 30 PRO CB . 16485 1 332 . 1 1 30 30 PRO CD C 13 50.665 0.4 . 1 . . . . . 30 PRO CD . 16485 1 333 . 1 1 30 30 PRO CG C 13 27.671 0.4 . 1 . . . . . 30 PRO CG . 16485 1 334 . 1 1 31 31 SER H H 1 8.621 0.04 . 1 . . . . . 31 SER H . 16485 1 335 . 1 1 31 31 SER HA H 1 3.937 0.04 . 1 . . . . . 31 SER HA . 16485 1 336 . 1 1 31 31 SER HB2 H 1 4.217 0.04 . 2 . . . . . 31 SER HB . 16485 1 337 . 1 1 31 31 SER HB3 H 1 4.217 0.04 . 2 . . . . . 31 SER HB . 16485 1 338 . 1 1 31 31 SER C C 13 176.486 0.4 . 1 . . . . . 31 SER C . 16485 1 339 . 1 1 31 31 SER CA C 13 62.170 0.4 . 1 . . . . . 31 SER CA . 16485 1 340 . 1 1 31 31 SER CB C 13 62.160 0.4 . 1 . . . . . 31 SER CB . 16485 1 341 . 1 1 31 31 SER N N 15 113.203 0.1 . 1 . . . . . 31 SER N . 16485 1 342 . 1 1 32 32 LEU H H 1 7.305 0.04 . 1 . . . . . 32 LEU H . 16485 1 343 . 1 1 32 32 LEU HA H 1 4.446 0.04 . 1 . . . . . 32 LEU HA . 16485 1 344 . 1 1 32 32 LEU HB2 H 1 1.881 0.04 . 1 . . . . . 32 LEU HB2 . 16485 1 345 . 1 1 32 32 LEU HB3 H 1 1.615 0.04 . 1 . . . . . 32 LEU HB3 . 16485 1 346 . 1 1 32 32 LEU HD11 H 1 1.089 0.04 . 2 . . . . . 32 LEU HD1 . 16485 1 347 . 1 1 32 32 LEU HD12 H 1 1.089 0.04 . 2 . . . . . 32 LEU HD1 . 16485 1 348 . 1 1 32 32 LEU HD13 H 1 1.089 0.04 . 2 . . . . . 32 LEU HD1 . 16485 1 349 . 1 1 32 32 LEU HD21 H 1 1.084 0.04 . 2 . . . . . 32 LEU HD2 . 16485 1 350 . 1 1 32 32 LEU HD22 H 1 1.084 0.04 . 2 . . . . . 32 LEU HD2 . 16485 1 351 . 1 1 32 32 LEU HD23 H 1 1.084 0.04 . 2 . . . . . 32 LEU HD2 . 16485 1 352 . 1 1 32 32 LEU C C 13 178.884 0.4 . 1 . . . . . 32 LEU C . 16485 1 353 . 1 1 32 32 LEU CA C 13 57.162 0.4 . 1 . . . . . 32 LEU CA . 16485 1 354 . 1 1 32 32 LEU CB C 13 43.012 0.4 . 1 . . . . . 32 LEU CB . 16485 1 355 . 1 1 32 32 LEU CD1 C 13 26.429 0.4 . 1 . . . . . 32 LEU CD1 . 16485 1 356 . 1 1 32 32 LEU CD2 C 13 24.087 0.4 . 1 . . . . . 32 LEU CD2 . 16485 1 357 . 1 1 32 32 LEU N N 15 125.093 0.1 . 1 . . . . . 32 LEU N . 16485 1 358 . 1 1 33 33 CYS H H 1 8.926 0.04 . 1 . . . . . 33 CYS H . 16485 1 359 . 1 1 33 33 CYS HA H 1 3.668 0.04 . 1 . . . . . 33 CYS HA . 16485 1 360 . 1 1 33 33 CYS HB2 H 1 3.138 0.04 . 1 . . . . . 33 CYS HB2 . 16485 1 361 . 1 1 33 33 CYS HB3 H 1 2.836 0.04 . 1 . . . . . 33 CYS HB3 . 16485 1 362 . 1 1 33 33 CYS C C 13 177.283 0.4 . 1 . . . . . 33 CYS C . 16485 1 363 . 1 1 33 33 CYS CA C 13 64.720 0.4 . 1 . . . . . 33 CYS CA . 16485 1 364 . 1 1 33 33 CYS CB C 13 26.391 0.4 . 1 . . . . . 33 CYS CB . 16485 1 365 . 1 1 33 33 CYS N N 15 120.213 0.1 . 1 . . . . . 33 CYS N . 16485 1 366 . 1 1 34 34 LYS H H 1 8.139 0.04 . 1 . . . . . 34 LYS H . 16485 1 367 . 1 1 34 34 LYS HA H 1 4.172 0.04 . 1 . . . . . 34 LYS HA . 16485 1 368 . 1 1 34 34 LYS HB2 H 1 2.039 0.04 . 1 . . . . . 34 LYS HB2 . 16485 1 369 . 1 1 34 34 LYS HB3 H 1 1.975 0.04 . 1 . . . . . 34 LYS HB3 . 16485 1 370 . 1 1 34 34 LYS HD2 H 1 1.722 0.04 . 1 . . . . . 34 LYS HD2 . 16485 1 371 . 1 1 34 34 LYS HD3 H 1 1.612 0.04 . 1 . . . . . 34 LYS HD3 . 16485 1 372 . 1 1 34 34 LYS HE2 H 1 2.995 0.04 . 2 . . . . . 34 LYS HE . 16485 1 373 . 1 1 34 34 LYS HE3 H 1 2.995 0.04 . 2 . . . . . 34 LYS HE . 16485 1 374 . 1 1 34 34 LYS HG2 H 1 1.623 0.04 . 1 . . . . . 34 LYS HG2 . 16485 1 375 . 1 1 34 34 LYS HG3 H 1 1.567 0.04 . 1 . . . . . 34 LYS HG3 . 16485 1 376 . 1 1 34 34 LYS C C 13 179.653 0.4 . 1 . . . . . 34 LYS C . 16485 1 377 . 1 1 34 34 LYS CA C 13 59.836 0.4 . 1 . . . . . 34 LYS CA . 16485 1 378 . 1 1 34 34 LYS CB C 13 32.251 0.4 . 1 . . . . . 34 LYS CB . 16485 1 379 . 1 1 34 34 LYS CD C 13 29.220 0.4 . 1 . . . . . 34 LYS CD . 16485 1 380 . 1 1 34 34 LYS CE C 13 42.449 0.4 . 1 . . . . . 34 LYS CE . 16485 1 381 . 1 1 34 34 LYS CG C 13 25.091 0.4 . 1 . . . . . 34 LYS CG . 16485 1 382 . 1 1 34 34 LYS N N 15 117.260 0.1 . 1 . . . . . 34 LYS N . 16485 1 383 . 1 1 35 35 GLU H H 1 7.586 0.04 . 1 . . . . . 35 GLU H . 16485 1 384 . 1 1 35 35 GLU HA H 1 4.362 0.04 . 1 . . . . . 35 GLU HA . 16485 1 385 . 1 1 35 35 GLU HB2 H 1 2.614 0.04 . 1 . . . . . 35 GLU HB2 . 16485 1 386 . 1 1 35 35 GLU HB3 H 1 2.358 0.04 . 1 . . . . . 35 GLU HB3 . 16485 1 387 . 1 1 35 35 GLU HG2 H 1 2.664 0.04 . 1 . . . . . 35 GLU HG2 . 16485 1 388 . 1 1 35 35 GLU HG3 H 1 2.391 0.04 . 1 . . . . . 35 GLU HG3 . 16485 1 389 . 1 1 35 35 GLU C C 13 180.504 0.4 . 1 . . . . . 35 GLU C . 16485 1 390 . 1 1 35 35 GLU CA C 13 59.909 0.4 . 1 . . . . . 35 GLU CA . 16485 1 391 . 1 1 35 35 GLU CB C 13 29.981 0.4 . 1 . . . . . 35 GLU CB . 16485 1 392 . 1 1 35 35 GLU CG C 13 36.618 0.4 . 1 . . . . . 35 GLU CG . 16485 1 393 . 1 1 35 35 GLU N N 15 119.345 0.1 . 1 . . . . . 35 GLU N . 16485 1 394 . 1 1 36 36 TRP H H 1 8.556 0.04 . 1 . . . . . 36 TRP H . 16485 1 395 . 1 1 36 36 TRP HA H 1 4.163 0.04 . 1 . . . . . 36 TRP HA . 16485 1 396 . 1 1 36 36 TRP HB2 H 1 3.775 0.04 . 1 . . . . . 36 TRP HB2 . 16485 1 397 . 1 1 36 36 TRP HB3 H 1 3.151 0.04 . 1 . . . . . 36 TRP HB3 . 16485 1 398 . 1 1 36 36 TRP HD1 H 1 7.396 0.04 . 1 . . . . . 36 TRP HD1 . 16485 1 399 . 1 1 36 36 TRP HE1 H 1 10.573 0.04 . 1 . . . . . 36 TRP HE1 . 16485 1 400 . 1 1 36 36 TRP HE3 H 1 6.079 0.04 . 1 . . . . . 36 TRP HE3 . 16485 1 401 . 1 1 36 36 TRP HH2 H 1 7.105 0.04 . 1 . . . . . 36 TRP HH2 . 16485 1 402 . 1 1 36 36 TRP HZ2 H 1 7.347 0.04 . 1 . . . . . 36 TRP HZ2 . 16485 1 403 . 1 1 36 36 TRP HZ3 H 1 6.707 0.04 . 1 . . . . . 36 TRP HZ3 . 16485 1 404 . 1 1 36 36 TRP C C 13 178.338 0.4 . 1 . . . . . 36 TRP C . 16485 1 405 . 1 1 36 36 TRP CA C 13 62.423 0.4 . 1 . . . . . 36 TRP CA . 16485 1 406 . 1 1 36 36 TRP CB C 13 28.817 0.4 . 1 . . . . . 36 TRP CB . 16485 1 407 . 1 1 36 36 TRP CD1 C 13 123.925 0.4 . 1 . . . . . 36 TRP CD1 . 16485 1 408 . 1 1 36 36 TRP CE3 C 13 119.992 0.4 . 1 . . . . . 36 TRP CE3 . 16485 1 409 . 1 1 36 36 TRP CH2 C 13 127.862 0.4 . 1 . . . . . 36 TRP CH2 . 16485 1 410 . 1 1 36 36 TRP CZ2 C 13 114.217 0.4 . 1 . . . . . 36 TRP CZ2 . 16485 1 411 . 1 1 36 36 TRP CZ3 C 13 123.801 0.4 . 1 . . . . . 36 TRP CZ3 . 16485 1 412 . 1 1 36 36 TRP N N 15 122.177 0.1 . 1 . . . . . 36 TRP N . 16485 1 413 . 1 1 36 36 TRP NE1 N 15 128.426 0.1 . 1 . . . . . 36 TRP NE1 . 16485 1 414 . 1 1 37 37 GLU H H 1 9.139 0.04 . 1 . . . . . 37 GLU H . 16485 1 415 . 1 1 37 37 GLU HA H 1 4.118 0.04 . 1 . . . . . 37 GLU HA . 16485 1 416 . 1 1 37 37 GLU HB2 H 1 2.402 0.04 . 1 . . . . . 37 GLU HB2 . 16485 1 417 . 1 1 37 37 GLU HB3 H 1 2.365 0.04 . 1 . . . . . 37 GLU HB3 . 16485 1 418 . 1 1 37 37 GLU HG2 H 1 2.875 0.04 . 1 . . . . . 37 GLU HG2 . 16485 1 419 . 1 1 37 37 GLU HG3 H 1 2.212 0.04 . 1 . . . . . 37 GLU HG3 . 16485 1 420 . 1 1 37 37 GLU C C 13 179.338 0.4 . 1 . . . . . 37 GLU C . 16485 1 421 . 1 1 37 37 GLU CA C 13 60.909 0.4 . 1 . . . . . 37 GLU CA . 16485 1 422 . 1 1 37 37 GLU CB C 13 30.476 0.4 . 1 . . . . . 37 GLU CB . 16485 1 423 . 1 1 37 37 GLU CG C 13 38.836 0.4 . 1 . . . . . 37 GLU CG . 16485 1 424 . 1 1 37 37 GLU N N 15 117.833 0.1 . 1 . . . . . 37 GLU N . 16485 1 425 . 1 1 38 38 ALA H H 1 8.071 0.04 . 1 . . . . . 38 ALA H . 16485 1 426 . 1 1 38 38 ALA HA H 1 4.199 0.04 . 1 . . . . . 38 ALA HA . 16485 1 427 . 1 1 38 38 ALA HB1 H 1 1.545 0.04 . 1 . . . . . 38 ALA HB . 16485 1 428 . 1 1 38 38 ALA HB2 H 1 1.545 0.04 . 1 . . . . . 38 ALA HB . 16485 1 429 . 1 1 38 38 ALA HB3 H 1 1.545 0.04 . 1 . . . . . 38 ALA HB . 16485 1 430 . 1 1 38 38 ALA C C 13 179.157 0.4 . 1 . . . . . 38 ALA C . 16485 1 431 . 1 1 38 38 ALA CA C 13 54.669 0.4 . 1 . . . . . 38 ALA CA . 16485 1 432 . 1 1 38 38 ALA CB C 13 18.451 0.4 . 1 . . . . . 38 ALA CB . 16485 1 433 . 1 1 38 38 ALA N N 15 121.446 0.1 . 1 . . . . . 38 ALA N . 16485 1 434 . 1 1 39 39 ALA H H 1 7.499 0.04 . 1 . . . . . 39 ALA H . 16485 1 435 . 1 1 39 39 ALA HA H 1 3.834 0.04 . 1 . . . . . 39 ALA HA . 16485 1 436 . 1 1 39 39 ALA HB1 H 1 1.395 0.04 . 1 . . . . . 39 ALA HB . 16485 1 437 . 1 1 39 39 ALA HB2 H 1 1.395 0.04 . 1 . . . . . 39 ALA HB . 16485 1 438 . 1 1 39 39 ALA HB3 H 1 1.395 0.04 . 1 . . . . . 39 ALA HB . 16485 1 439 . 1 1 39 39 ALA C C 13 177.705 0.4 . 1 . . . . . 39 ALA C . 16485 1 440 . 1 1 39 39 ALA CA C 13 53.711 0.4 . 1 . . . . . 39 ALA CA . 16485 1 441 . 1 1 39 39 ALA CB C 13 19.484 0.4 . 1 . . . . . 39 ALA CB . 16485 1 442 . 1 1 39 39 ALA N N 15 119.293 0.1 . 1 . . . . . 39 ALA N . 16485 1 443 . 1 1 40 40 VAL H H 1 7.437 0.04 . 1 . . . . . 40 VAL H . 16485 1 444 . 1 1 40 40 VAL HA H 1 3.238 0.04 . 1 . . . . . 40 VAL HA . 16485 1 445 . 1 1 40 40 VAL HB H 1 2.205 0.04 . 1 . . . . . 40 VAL HB . 16485 1 446 . 1 1 40 40 VAL HG11 H 1 0.704 0.04 . 2 . . . . . 40 VAL HG1 . 16485 1 447 . 1 1 40 40 VAL HG12 H 1 0.704 0.04 . 2 . . . . . 40 VAL HG1 . 16485 1 448 . 1 1 40 40 VAL HG13 H 1 0.704 0.04 . 2 . . . . . 40 VAL HG1 . 16485 1 449 . 1 1 40 40 VAL HG21 H 1 0.938 0.04 . 2 . . . . . 40 VAL HG2 . 16485 1 450 . 1 1 40 40 VAL HG22 H 1 0.938 0.04 . 2 . . . . . 40 VAL HG2 . 16485 1 451 . 1 1 40 40 VAL HG23 H 1 0.938 0.04 . 2 . . . . . 40 VAL HG2 . 16485 1 452 . 1 1 40 40 VAL C C 13 175.897 0.4 . 1 . . . . . 40 VAL C . 16485 1 453 . 1 1 40 40 VAL CA C 13 64.201 0.4 . 1 . . . . . 40 VAL CA . 16485 1 454 . 1 1 40 40 VAL CB C 13 32.543 0.4 . 1 . . . . . 40 VAL CB . 16485 1 455 . 1 1 40 40 VAL CG1 C 13 21.558 0.4 . 1 . . . . . 40 VAL CG1 . 16485 1 456 . 1 1 40 40 VAL CG2 C 13 22.565 0.4 . 1 . . . . . 40 VAL CG2 . 16485 1 457 . 1 1 40 40 VAL N N 15 113.983 0.1 . 1 . . . . . 40 VAL N . 16485 1 458 . 1 1 41 41 ARG H H 1 7.353 0.04 . 1 . . . . . 41 ARG H . 16485 1 459 . 1 1 41 41 ARG HA H 1 3.759 0.04 . 1 . . . . . 41 ARG HA . 16485 1 460 . 1 1 41 41 ARG HB2 H 1 1.654 0.04 . 1 . . . . . 41 ARG HB2 . 16485 1 461 . 1 1 41 41 ARG HB3 H 1 1.800 0.04 . 1 . . . . . 41 ARG HB3 . 16485 1 462 . 1 1 41 41 ARG HD2 H 1 2.917 0.04 . 1 . . . . . 41 ARG HD2 . 16485 1 463 . 1 1 41 41 ARG HD3 H 1 2.856 0.04 . 1 . . . . . 41 ARG HD3 . 16485 1 464 . 1 1 41 41 ARG HE H 1 6.952 0.04 . 1 . . . . . 41 ARG HE . 16485 1 465 . 1 1 41 41 ARG HG2 H 1 1.427 0.04 . 2 . . . . . 41 ARG HG . 16485 1 466 . 1 1 41 41 ARG HG3 H 1 1.427 0.04 . 2 . . . . . 41 ARG HG . 16485 1 467 . 1 1 41 41 ARG C C 13 174.867 0.4 . 1 . . . . . 41 ARG C . 16485 1 468 . 1 1 41 41 ARG CA C 13 57.357 0.4 . 1 . . . . . 41 ARG CA . 16485 1 469 . 1 1 41 41 ARG CB C 13 28.318 0.4 . 1 . . . . . 41 ARG CB . 16485 1 470 . 1 1 41 41 ARG CD C 13 44.025 0.4 . 1 . . . . . 41 ARG CD . 16485 1 471 . 1 1 41 41 ARG CG C 13 27.592 0.4 . 1 . . . . . 41 ARG CG . 16485 1 472 . 1 1 41 41 ARG N N 15 114.227 0.1 . 1 . . . . . 41 ARG N . 16485 1 473 . 1 1 42 42 ARG H H 1 8.269 0.04 . 1 . . . . . 42 ARG H . 16485 1 474 . 1 1 42 42 ARG HA H 1 4.502 0.04 . 1 . . . . . 42 ARG HA . 16485 1 475 . 1 1 42 42 ARG HB2 H 1 1.878 0.04 . 1 . . . . . 42 ARG HB2 . 16485 1 476 . 1 1 42 42 ARG HB3 H 1 1.440 0.04 . 1 . . . . . 42 ARG HB3 . 16485 1 477 . 1 1 42 42 ARG HD2 H 1 2.994 0.04 . 2 . . . . . 42 ARG HD . 16485 1 478 . 1 1 42 42 ARG HD3 H 1 2.994 0.04 . 2 . . . . . 42 ARG HD . 16485 1 479 . 1 1 42 42 ARG HE H 1 7.172 0.04 . 1 . . . . . 42 ARG HE . 16485 1 480 . 1 1 42 42 ARG HG2 H 1 1.663 0.04 . 2 . . . . . 42 ARG HG . 16485 1 481 . 1 1 42 42 ARG HG3 H 1 1.663 0.04 . 2 . . . . . 42 ARG HG . 16485 1 482 . 1 1 42 42 ARG C C 13 176.160 0.4 . 1 . . . . . 42 ARG C . 16485 1 483 . 1 1 42 42 ARG CA C 13 55.251 0.4 . 1 . . . . . 42 ARG CA . 16485 1 484 . 1 1 42 42 ARG CB C 13 33.696 0.4 . 1 . . . . . 42 ARG CB . 16485 1 485 . 1 1 42 42 ARG CD C 13 39.897 0.4 . 1 . . . . . 42 ARG CD . 16485 1 486 . 1 1 42 42 ARG CG C 13 27.413 0.4 . 1 . . . . . 42 ARG CG . 16485 1 487 . 1 1 42 42 ARG N N 15 118.239 0.1 . 1 . . . . . 42 ARG N . 16485 1 488 . 1 1 43 43 LYS H H 1 8.590 0.04 . 1 . . . . . 43 LYS H . 16485 1 489 . 1 1 43 43 LYS HA H 1 4.142 0.04 . 1 . . . . . 43 LYS HA . 16485 1 490 . 1 1 43 43 LYS HB2 H 1 1.749 0.04 . 2 . . . . . 43 LYS HB . 16485 1 491 . 1 1 43 43 LYS HB3 H 1 1.749 0.04 . 2 . . . . . 43 LYS HB . 16485 1 492 . 1 1 43 43 LYS HD2 H 1 1.665 0.04 . 2 . . . . . 43 LYS HD . 16485 1 493 . 1 1 43 43 LYS HD3 H 1 1.665 0.04 . 2 . . . . . 43 LYS HD . 16485 1 494 . 1 1 43 43 LYS HE2 H 1 2.972 0.04 . 2 . . . . . 43 LYS HE . 16485 1 495 . 1 1 43 43 LYS HE3 H 1 2.972 0.04 . 2 . . . . . 43 LYS HE . 16485 1 496 . 1 1 43 43 LYS HG2 H 1 1.449 0.04 . 1 . . . . . 43 LYS HG2 . 16485 1 497 . 1 1 43 43 LYS HG3 H 1 1.387 0.04 . 1 . . . . . 43 LYS HG3 . 16485 1 498 . 1 1 43 43 LYS C C 13 177.035 0.4 . 1 . . . . . 43 LYS C . 16485 1 499 . 1 1 43 43 LYS CA C 13 57.562 0.4 . 1 . . . . . 43 LYS CA . 16485 1 500 . 1 1 43 43 LYS CB C 13 32.897 0.4 . 1 . . . . . 43 LYS CB . 16485 1 501 . 1 1 43 43 LYS CD C 13 29.404 0.4 . 1 . . . . . 43 LYS CD . 16485 1 502 . 1 1 43 43 LYS CE C 13 42.221 0.4 . 1 . . . . . 43 LYS CE . 16485 1 503 . 1 1 43 43 LYS CG C 13 25.005 0.4 . 1 . . . . . 43 LYS CG . 16485 1 504 . 1 1 43 43 LYS N N 15 124.413 0.1 . 1 . . . . . 43 LYS N . 16485 1 505 . 1 1 44 44 ASN H H 1 8.994 0.04 . 1 . . . . . 44 ASN H . 16485 1 506 . 1 1 44 44 ASN HA H 1 4.456 0.04 . 1 . . . . . 44 ASN HA . 16485 1 507 . 1 1 44 44 ASN HB2 H 1 2.971 0.04 . 1 . . . . . 44 ASN HB2 . 16485 1 508 . 1 1 44 44 ASN HB3 H 1 2.897 0.04 . 1 . . . . . 44 ASN HB3 . 16485 1 509 . 1 1 44 44 ASN HD21 H 1 7.677 0.04 . 1 . . . . . 44 ASN HD21 . 16485 1 510 . 1 1 44 44 ASN HD22 H 1 6.976 0.04 . 1 . . . . . 44 ASN HD22 . 16485 1 511 . 1 1 44 44 ASN C C 13 173.844 0.4 . 1 . . . . . 44 ASN C . 16485 1 512 . 1 1 44 44 ASN CA C 13 54.103 0.4 . 1 . . . . . 44 ASN CA . 16485 1 513 . 1 1 44 44 ASN CB C 13 37.668 0.4 . 1 . . . . . 44 ASN CB . 16485 1 514 . 1 1 44 44 ASN N N 15 118.472 0.1 . 1 . . . . . 44 ASN N . 16485 1 515 . 1 1 44 44 ASN ND2 N 15 112.673 0.1 . 1 . . . . . 44 ASN ND2 . 16485 1 516 . 1 1 45 45 PHE H H 1 7.774 0.04 . 1 . . . . . 45 PHE H . 16485 1 517 . 1 1 45 45 PHE HA H 1 4.684 0.04 . 1 . . . . . 45 PHE HA . 16485 1 518 . 1 1 45 45 PHE HB2 H 1 2.949 0.04 . 1 . . . . . 45 PHE HB2 . 16485 1 519 . 1 1 45 45 PHE HB3 H 1 2.802 0.04 . 1 . . . . . 45 PHE HB3 . 16485 1 520 . 1 1 45 45 PHE HD1 H 1 7.234 0.04 . 3 . . . . . 45 PHE HD . 16485 1 521 . 1 1 45 45 PHE HD2 H 1 7.234 0.04 . 3 . . . . . 45 PHE HD . 16485 1 522 . 1 1 45 45 PHE HE1 H 1 6.973 0.04 . 3 . . . . . 45 PHE HE . 16485 1 523 . 1 1 45 45 PHE HE2 H 1 6.973 0.04 . 3 . . . . . 45 PHE HE . 16485 1 524 . 1 1 45 45 PHE C C 13 174.163 0.4 . 1 . . . . . 45 PHE C . 16485 1 525 . 1 1 45 45 PHE CA C 13 57.839 0.4 . 1 . . . . . 45 PHE CA . 16485 1 526 . 1 1 45 45 PHE CB C 13 41.979 0.4 . 1 . . . . . 45 PHE CB . 16485 1 527 . 1 1 45 45 PHE CD1 C 13 131.852 0.4 . 3 . . . . . 45 PHE CD1 . 16485 1 528 . 1 1 45 45 PHE N N 15 119.627 0.1 . 1 . . . . . 45 PHE N . 16485 1 529 . 1 1 46 46 LYS H H 1 7.702 0.04 . 1 . . . . . 46 LYS H . 16485 1 530 . 1 1 46 46 LYS HA H 1 4.328 0.04 . 1 . . . . . 46 LYS HA . 16485 1 531 . 1 1 46 46 LYS HB2 H 1 1.418 0.04 . 1 . . . . . 46 LYS HB2 . 16485 1 532 . 1 1 46 46 LYS HB3 H 1 1.493 0.04 . 1 . . . . . 46 LYS HB3 . 16485 1 533 . 1 1 46 46 LYS HD2 H 1 1.576 0.04 . 2 . . . . . 46 LYS HD . 16485 1 534 . 1 1 46 46 LYS HD3 H 1 1.576 0.04 . 2 . . . . . 46 LYS HD . 16485 1 535 . 1 1 46 46 LYS HE2 H 1 2.901 0.04 . 2 . . . . . 46 LYS HE . 16485 1 536 . 1 1 46 46 LYS HE3 H 1 2.901 0.04 . 2 . . . . . 46 LYS HE . 16485 1 537 . 1 1 46 46 LYS HG2 H 1 1.253 0.04 . 1 . . . . . 46 LYS HG2 . 16485 1 538 . 1 1 46 46 LYS HG3 H 1 1.176 0.04 . 1 . . . . . 46 LYS HG3 . 16485 1 539 . 1 1 46 46 LYS CA C 13 52.180 0.4 . 1 . . . . . 46 LYS CA . 16485 1 540 . 1 1 46 46 LYS CB C 13 34.109 0.4 . 1 . . . . . 46 LYS CB . 16485 1 541 . 1 1 46 46 LYS CD C 13 29.205 0.4 . 1 . . . . . 46 LYS CD . 16485 1 542 . 1 1 46 46 LYS CE C 13 42.241 0.4 . 1 . . . . . 46 LYS CE . 16485 1 543 . 1 1 46 46 LYS CG C 13 24.101 0.4 . 1 . . . . . 46 LYS CG . 16485 1 544 . 1 1 46 46 LYS N N 15 129.692 0.1 . 1 . . . . . 46 LYS N . 16485 1 545 . 1 1 47 47 PRO HA H 1 3.870 0.04 . 1 . . . . . 47 PRO HA . 16485 1 546 . 1 1 47 47 PRO HB2 H 1 1.165 0.04 . 1 . . . . . 47 PRO HB2 . 16485 1 547 . 1 1 47 47 PRO HB3 H 1 0.707 0.04 . 1 . . . . . 47 PRO HB3 . 16485 1 548 . 1 1 47 47 PRO HD2 H 1 3.411 0.04 . 1 . . . . . 47 PRO HD2 . 16485 1 549 . 1 1 47 47 PRO HD3 H 1 2.890 0.04 . 1 . . . . . 47 PRO HD3 . 16485 1 550 . 1 1 47 47 PRO HG2 H 1 1.558 0.04 . 2 . . . . . 47 PRO HG . 16485 1 551 . 1 1 47 47 PRO HG3 H 1 1.558 0.04 . 2 . . . . . 47 PRO HG . 16485 1 552 . 1 1 47 47 PRO C C 13 175.811 0.4 . 1 . . . . . 47 PRO C . 16485 1 553 . 1 1 47 47 PRO CA C 13 61.914 0.4 . 1 . . . . . 47 PRO CA . 16485 1 554 . 1 1 47 47 PRO CB C 13 31.495 0.4 . 1 . . . . . 47 PRO CB . 16485 1 555 . 1 1 47 47 PRO CD C 13 50.428 0.4 . 1 . . . . . 47 PRO CD . 16485 1 556 . 1 1 47 47 PRO CG C 13 27.417 0.4 . 1 . . . . . 47 PRO CG . 16485 1 557 . 1 1 48 48 THR H H 1 8.892 0.04 . 1 . . . . . 48 THR H . 16485 1 558 . 1 1 48 48 THR HA H 1 4.562 0.04 . 1 . . . . . 48 THR HA . 16485 1 559 . 1 1 48 48 THR HB H 1 4.631 0.04 . 1 . . . . . 48 THR HB . 16485 1 560 . 1 1 48 48 THR HG21 H 1 1.313 0.04 . 1 . . . . . 48 THR HG2 . 16485 1 561 . 1 1 48 48 THR HG22 H 1 1.313 0.04 . 1 . . . . . 48 THR HG2 . 16485 1 562 . 1 1 48 48 THR HG23 H 1 1.313 0.04 . 1 . . . . . 48 THR HG2 . 16485 1 563 . 1 1 48 48 THR C C 13 176.401 0.4 . 1 . . . . . 48 THR C . 16485 1 564 . 1 1 48 48 THR CA C 13 59.351 0.4 . 1 . . . . . 48 THR CA . 16485 1 565 . 1 1 48 48 THR CB C 13 73.218 0.4 . 1 . . . . . 48 THR CB . 16485 1 566 . 1 1 48 48 THR CG2 C 13 21.398 0.4 . 1 . . . . . 48 THR CG2 . 16485 1 567 . 1 1 48 48 THR N N 15 112.059 0.1 . 1 . . . . . 48 THR N . 16485 1 568 . 1 1 49 49 LYS H H 1 8.822 0.04 . 1 . . . . . 49 LYS H . 16485 1 569 . 1 1 49 49 LYS HA H 1 4.131 0.04 . 1 . . . . . 49 LYS HA . 16485 1 570 . 1 1 49 49 LYS HB2 H 1 1.659 0.04 . 1 . . . . . 49 LYS HB2 . 16485 1 571 . 1 1 49 49 LYS HB3 H 1 1.350 0.04 . 1 . . . . . 49 LYS HB3 . 16485 1 572 . 1 1 49 49 LYS HD2 H 1 1.419 0.04 . 2 . . . . . 49 LYS HD . 16485 1 573 . 1 1 49 49 LYS HD3 H 1 1.419 0.04 . 2 . . . . . 49 LYS HD . 16485 1 574 . 1 1 49 49 LYS HE2 H 1 2.763 0.04 . 2 . . . . . 49 LYS HE . 16485 1 575 . 1 1 49 49 LYS HE3 H 1 2.763 0.04 . 2 . . . . . 49 LYS HE . 16485 1 576 . 1 1 49 49 LYS HG2 H 1 0.079 0.04 . 1 . . . . . 49 LYS HG2 . 16485 1 577 . 1 1 49 49 LYS HG3 H 1 0.872 0.04 . 1 . . . . . 49 LYS HG3 . 16485 1 578 . 1 1 49 49 LYS C C 13 174.879 0.4 . 1 . . . . . 49 LYS C . 16485 1 579 . 1 1 49 49 LYS CA C 13 58.033 0.4 . 1 . . . . . 49 LYS CA . 16485 1 580 . 1 1 49 49 LYS CB C 13 31.501 0.4 . 1 . . . . . 49 LYS CB . 16485 1 581 . 1 1 49 49 LYS CD C 13 29.462 0.4 . 1 . . . . . 49 LYS CD . 16485 1 582 . 1 1 49 49 LYS CE C 13 41.982 0.4 . 1 . . . . . 49 LYS CE . 16485 1 583 . 1 1 49 49 LYS CG C 13 22.814 0.4 . 1 . . . . . 49 LYS CG . 16485 1 584 . 1 1 49 49 LYS N N 15 117.950 0.1 . 1 . . . . . 49 LYS N . 16485 1 585 . 1 1 50 50 TYR H H 1 8.095 0.04 . 1 . . . . . 50 TYR H . 16485 1 586 . 1 1 50 50 TYR HA H 1 4.498 0.04 . 1 . . . . . 50 TYR HA . 16485 1 587 . 1 1 50 50 TYR HB2 H 1 3.226 0.04 . 1 . . . . . 50 TYR HB2 . 16485 1 588 . 1 1 50 50 TYR HB3 H 1 2.876 0.04 . 1 . . . . . 50 TYR HB3 . 16485 1 589 . 1 1 50 50 TYR HD1 H 1 7.219 0.04 . 3 . . . . . 50 TYR HD . 16485 1 590 . 1 1 50 50 TYR HD2 H 1 7.219 0.04 . 3 . . . . . 50 TYR HD . 16485 1 591 . 1 1 50 50 TYR HE1 H 1 6.940 0.04 . 3 . . . . . 50 TYR HE . 16485 1 592 . 1 1 50 50 TYR HE2 H 1 6.940 0.04 . 3 . . . . . 50 TYR HE . 16485 1 593 . 1 1 50 50 TYR C C 13 176.710 0.4 . 1 . . . . . 50 TYR C . 16485 1 594 . 1 1 50 50 TYR CA C 13 57.841 0.4 . 1 . . . . . 50 TYR CA . 16485 1 595 . 1 1 50 50 TYR CB C 13 38.135 0.4 . 1 . . . . . 50 TYR CB . 16485 1 596 . 1 1 50 50 TYR CD1 C 13 133.649 0.4 . 3 . . . . . 50 TYR CD1 . 16485 1 597 . 1 1 50 50 TYR CE1 C 13 120.334 0.4 . 3 . . . . . 50 TYR CE1 . 16485 1 598 . 1 1 50 50 TYR N N 15 116.512 0.1 . 1 . . . . . 50 TYR N . 16485 1 599 . 1 1 51 51 SER H H 1 7.619 0.04 . 1 . . . . . 51 SER H . 16485 1 600 . 1 1 51 51 SER HA H 1 4.691 0.04 . 1 . . . . . 51 SER HA . 16485 1 601 . 1 1 51 51 SER HB2 H 1 3.873 0.04 . 2 . . . . . 51 SER HB . 16485 1 602 . 1 1 51 51 SER HB3 H 1 3.873 0.04 . 2 . . . . . 51 SER HB . 16485 1 603 . 1 1 51 51 SER C C 13 172.878 0.4 . 1 . . . . . 51 SER C . 16485 1 604 . 1 1 51 51 SER CA C 13 59.655 0.4 . 1 . . . . . 51 SER CA . 16485 1 605 . 1 1 51 51 SER CB C 13 64.614 0.4 . 1 . . . . . 51 SER CB . 16485 1 606 . 1 1 51 51 SER N N 15 117.621 0.1 . 1 . . . . . 51 SER N . 16485 1 607 . 1 1 52 52 SER H H 1 9.979 0.04 . 1 . . . . . 52 SER H . 16485 1 608 . 1 1 52 52 SER HA H 1 5.794 0.04 . 1 . . . . . 52 SER HA . 16485 1 609 . 1 1 52 52 SER HB2 H 1 3.906 0.04 . 1 . . . . . 52 SER HB2 . 16485 1 610 . 1 1 52 52 SER HB3 H 1 3.801 0.04 . 1 . . . . . 52 SER HB3 . 16485 1 611 . 1 1 52 52 SER C C 13 172.994 0.4 . 1 . . . . . 52 SER C . 16485 1 612 . 1 1 52 52 SER CA C 13 58.840 0.4 . 1 . . . . . 52 SER CA . 16485 1 613 . 1 1 52 52 SER CB C 13 67.772 0.4 . 1 . . . . . 52 SER CB . 16485 1 614 . 1 1 52 52 SER N N 15 118.631 0.1 . 1 . . . . . 52 SER N . 16485 1 615 . 1 1 53 53 ILE H H 1 9.579 0.04 . 1 . . . . . 53 ILE H . 16485 1 616 . 1 1 53 53 ILE HA H 1 5.309 0.04 . 1 . . . . . 53 ILE HA . 16485 1 617 . 1 1 53 53 ILE HB H 1 1.880 0.04 . 1 . . . . . 53 ILE HB . 16485 1 618 . 1 1 53 53 ILE HD11 H 1 0.699 0.04 . 1 . . . . . 53 ILE HD1 . 16485 1 619 . 1 1 53 53 ILE HD12 H 1 0.699 0.04 . 1 . . . . . 53 ILE HD1 . 16485 1 620 . 1 1 53 53 ILE HD13 H 1 0.699 0.04 . 1 . . . . . 53 ILE HD1 . 16485 1 621 . 1 1 53 53 ILE HG12 H 1 1.353 0.04 . 1 . . . . . 53 ILE HG12 . 16485 1 622 . 1 1 53 53 ILE HG13 H 1 1.209 0.04 . 1 . . . . . 53 ILE HG13 . 16485 1 623 . 1 1 53 53 ILE HG21 H 1 0.848 0.04 . 1 . . . . . 53 ILE HG2 . 16485 1 624 . 1 1 53 53 ILE HG22 H 1 0.848 0.04 . 1 . . . . . 53 ILE HG2 . 16485 1 625 . 1 1 53 53 ILE HG23 H 1 0.848 0.04 . 1 . . . . . 53 ILE HG2 . 16485 1 626 . 1 1 53 53 ILE C C 13 176.275 0.4 . 1 . . . . . 53 ILE C . 16485 1 627 . 1 1 53 53 ILE CA C 13 58.849 0.4 . 1 . . . . . 53 ILE CA . 16485 1 628 . 1 1 53 53 ILE CB C 13 39.904 0.4 . 1 . . . . . 53 ILE CB . 16485 1 629 . 1 1 53 53 ILE CD1 C 13 12.670 0.4 . 1 . . . . . 53 ILE CD1 . 16485 1 630 . 1 1 53 53 ILE CG1 C 13 27.918 0.4 . 1 . . . . . 53 ILE CG1 . 16485 1 631 . 1 1 53 53 ILE CG2 C 13 18.997 0.4 . 1 . . . . . 53 ILE CG2 . 16485 1 632 . 1 1 53 53 ILE N N 15 121.255 0.1 . 1 . . . . . 53 ILE N . 16485 1 633 . 1 1 54 54 CYS H H 1 10.368 0.04 . 1 . . . . . 54 CYS H . 16485 1 634 . 1 1 54 54 CYS HA H 1 5.410 0.04 . 1 . . . . . 54 CYS HA . 16485 1 635 . 1 1 54 54 CYS HB2 H 1 2.418 0.04 . 1 . . . . . 54 CYS HB2 . 16485 1 636 . 1 1 54 54 CYS HB3 H 1 2.595 0.04 . 1 . . . . . 54 CYS HB3 . 16485 1 637 . 1 1 54 54 CYS C C 13 176.837 0.4 . 1 . . . . . 54 CYS C . 16485 1 638 . 1 1 54 54 CYS CA C 13 59.266 0.4 . 1 . . . . . 54 CYS CA . 16485 1 639 . 1 1 54 54 CYS CB C 13 30.453 0.4 . 1 . . . . . 54 CYS CB . 16485 1 640 . 1 1 54 54 CYS N N 15 132.316 0.1 . 1 . . . . . 54 CYS N . 16485 1 641 . 1 1 55 55 SER H H 1 8.878 0.04 . 1 . . . . . 55 SER H . 16485 1 642 . 1 1 55 55 SER HA H 1 4.426 0.04 . 1 . . . . . 55 SER HA . 16485 1 643 . 1 1 55 55 SER HB2 H 1 4.590 0.04 . 1 . . . . . 55 SER HB2 . 16485 1 644 . 1 1 55 55 SER HB3 H 1 4.104 0.04 . 1 . . . . . 55 SER HB3 . 16485 1 645 . 1 1 55 55 SER C C 13 176.525 0.4 . 1 . . . . . 55 SER C . 16485 1 646 . 1 1 55 55 SER CA C 13 61.801 0.4 . 1 . . . . . 55 SER CA . 16485 1 647 . 1 1 55 55 SER CB C 13 63.637 0.4 . 1 . . . . . 55 SER CB . 16485 1 648 . 1 1 55 55 SER N N 15 110.672 0.1 . 1 . . . . . 55 SER N . 16485 1 649 . 1 1 56 56 GLU H H 1 8.261 0.04 . 1 . . . . . 56 GLU H . 16485 1 650 . 1 1 56 56 GLU HA H 1 4.077 0.04 . 1 . . . . . 56 GLU HA . 16485 1 651 . 1 1 56 56 GLU HB2 H 1 1.695 0.04 . 1 . . . . . 56 GLU HB2 . 16485 1 652 . 1 1 56 56 GLU HB3 H 1 1.418 0.04 . 1 . . . . . 56 GLU HB3 . 16485 1 653 . 1 1 56 56 GLU HG2 H 1 2.059 0.04 . 1 . . . . . 56 GLU HG2 . 16485 1 654 . 1 1 56 56 GLU HG3 H 1 2.218 0.04 . 1 . . . . . 56 GLU HG3 . 16485 1 655 . 1 1 56 56 GLU C C 13 176.733 0.4 . 1 . . . . . 56 GLU C . 16485 1 656 . 1 1 56 56 GLU CA C 13 58.776 0.4 . 1 . . . . . 56 GLU CA . 16485 1 657 . 1 1 56 56 GLU CB C 13 29.197 0.4 . 1 . . . . . 56 GLU CB . 16485 1 658 . 1 1 56 56 GLU CG C 13 37.872 0.4 . 1 . . . . . 56 GLU CG . 16485 1 659 . 1 1 56 56 GLU N N 15 120.196 0.1 . 1 . . . . . 56 GLU N . 16485 1 660 . 1 1 57 57 HIS H H 1 6.961 0.04 . 1 . . . . . 57 HIS H . 16485 1 661 . 1 1 57 57 HIS HA H 1 4.962 0.04 . 1 . . . . . 57 HIS HA . 16485 1 662 . 1 1 57 57 HIS HB2 H 1 1.917 0.04 . 2 . . . . . 57 HIS HB . 16485 1 663 . 1 1 57 57 HIS HB3 H 1 1.917 0.04 . 2 . . . . . 57 HIS HB . 16485 1 664 . 1 1 57 57 HIS HD2 H 1 6.981 0.04 . 1 . . . . . 57 HIS HD2 . 16485 1 665 . 1 1 57 57 HIS HE1 H 1 7.895 0.04 . 1 . . . . . 57 HIS HE1 . 16485 1 666 . 1 1 57 57 HIS C C 13 173.510 0.4 . 1 . . . . . 57 HIS C . 16485 1 667 . 1 1 57 57 HIS CA C 13 54.749 0.4 . 1 . . . . . 57 HIS CA . 16485 1 668 . 1 1 57 57 HIS CB C 13 28.905 0.4 . 1 . . . . . 57 HIS CB . 16485 1 669 . 1 1 57 57 HIS CE1 C 13 138.711 0.4 . 1 . . . . . 57 HIS CE1 . 16485 1 670 . 1 1 57 57 HIS N N 15 113.232 0.1 . 1 . . . . . 57 HIS N . 16485 1 671 . 1 1 58 58 PHE H H 1 7.559 0.04 . 1 . . . . . 58 PHE H . 16485 1 672 . 1 1 58 58 PHE HA H 1 4.976 0.04 . 1 . . . . . 58 PHE HA . 16485 1 673 . 1 1 58 58 PHE HB2 H 1 2.743 0.04 . 1 . . . . . 58 PHE HB2 . 16485 1 674 . 1 1 58 58 PHE HB3 H 1 2.677 0.04 . 1 . . . . . 58 PHE HB3 . 16485 1 675 . 1 1 58 58 PHE HD1 H 1 6.847 0.04 . 3 . . . . . 58 PHE HD . 16485 1 676 . 1 1 58 58 PHE HD2 H 1 6.847 0.04 . 3 . . . . . 58 PHE HD . 16485 1 677 . 1 1 58 58 PHE C C 13 175.733 0.4 . 1 . . . . . 58 PHE C . 16485 1 678 . 1 1 58 58 PHE CA C 13 56.278 0.4 . 1 . . . . . 58 PHE CA . 16485 1 679 . 1 1 58 58 PHE CB C 13 41.520 0.4 . 1 . . . . . 58 PHE CB . 16485 1 680 . 1 1 58 58 PHE N N 15 118.377 0.1 . 1 . . . . . 58 PHE N . 16485 1 681 . 1 1 59 59 THR H H 1 8.418 0.04 . 1 . . . . . 59 THR H . 16485 1 682 . 1 1 59 59 THR HA H 1 4.348 0.04 . 1 . . . . . 59 THR HA . 16485 1 683 . 1 1 59 59 THR HB H 1 4.559 0.04 . 1 . . . . . 59 THR HB . 16485 1 684 . 1 1 59 59 THR HG21 H 1 1.275 0.04 . 1 . . . . . 59 THR HG2 . 16485 1 685 . 1 1 59 59 THR HG22 H 1 1.275 0.04 . 1 . . . . . 59 THR HG2 . 16485 1 686 . 1 1 59 59 THR HG23 H 1 1.275 0.04 . 1 . . . . . 59 THR HG2 . 16485 1 687 . 1 1 59 59 THR CA C 13 60.346 0.4 . 1 . . . . . 59 THR CA . 16485 1 688 . 1 1 59 59 THR CB C 13 67.807 0.4 . 1 . . . . . 59 THR CB . 16485 1 689 . 1 1 59 59 THR CG2 C 13 23.325 0.4 . 1 . . . . . 59 THR CG2 . 16485 1 690 . 1 1 59 59 THR N N 15 113.051 0.1 . 1 . . . . . 59 THR N . 16485 1 691 . 1 1 60 60 PRO HA H 1 4.533 0.04 . 1 . . . . . 60 PRO HA . 16485 1 692 . 1 1 60 60 PRO HB2 H 1 2.462 0.04 . 1 . . . . . 60 PRO HB2 . 16485 1 693 . 1 1 60 60 PRO HB3 H 1 2.049 0.04 . 1 . . . . . 60 PRO HB3 . 16485 1 694 . 1 1 60 60 PRO HD2 H 1 3.883 0.04 . 1 . . . . . 60 PRO HD2 . 16485 1 695 . 1 1 60 60 PRO HD3 H 1 3.840 0.04 . 1 . . . . . 60 PRO HD3 . 16485 1 696 . 1 1 60 60 PRO HG2 H 1 2.180 0.04 . 1 . . . . . 60 PRO HG2 . 16485 1 697 . 1 1 60 60 PRO HG3 H 1 2.114 0.04 . 1 . . . . . 60 PRO HG3 . 16485 1 698 . 1 1 60 60 PRO C C 13 178.396 0.4 . 1 . . . . . 60 PRO C . 16485 1 699 . 1 1 60 60 PRO CA C 13 66.245 0.4 . 1 . . . . . 60 PRO CA . 16485 1 700 . 1 1 60 60 PRO CB C 13 31.993 0.4 . 1 . . . . . 60 PRO CB . 16485 1 701 . 1 1 60 60 PRO CD C 13 50.668 0.4 . 1 . . . . . 60 PRO CD . 16485 1 702 . 1 1 60 60 PRO CG C 13 28.114 0.4 . 1 . . . . . 60 PRO CG . 16485 1 703 . 1 1 61 61 ASP H H 1 8.182 0.04 . 1 . . . . . 61 ASP H . 16485 1 704 . 1 1 61 61 ASP HA H 1 4.670 0.04 . 1 . . . . . 61 ASP HA . 16485 1 705 . 1 1 61 61 ASP HB2 H 1 2.797 0.04 . 1 . . . . . 61 ASP HB2 . 16485 1 706 . 1 1 61 61 ASP HB3 H 1 2.674 0.04 . 1 . . . . . 61 ASP HB3 . 16485 1 707 . 1 1 61 61 ASP CA C 13 54.886 0.4 . 1 . . . . . 61 ASP CA . 16485 1 708 . 1 1 61 61 ASP CB C 13 39.934 0.4 . 1 . . . . . 61 ASP CB . 16485 1 709 . 1 1 61 61 ASP N N 15 113.916 0.1 . 1 . . . . . 61 ASP N . 16485 1 710 . 1 1 62 62 SER H H 1 8.208 0.04 . 1 . . . . . 62 SER H . 16485 1 711 . 1 1 62 62 SER HA H 1 4.228 0.04 . 1 . . . . . 62 SER HA . 16485 1 712 . 1 1 62 62 SER HB2 H 1 3.498 0.04 . 1 . . . . . 62 SER HB2 . 16485 1 713 . 1 1 62 62 SER HB3 H 1 3.373 0.04 . 1 . . . . . 62 SER HB3 . 16485 1 714 . 1 1 62 62 SER C C 13 171.496 0.4 . 1 . . . . . 62 SER C . 16485 1 715 . 1 1 62 62 SER CA C 13 60.642 0.4 . 1 . . . . . 62 SER CA . 16485 1 716 . 1 1 62 62 SER CB C 13 63.698 0.4 . 1 . . . . . 62 SER CB . 16485 1 717 . 1 1 62 62 SER N N 15 114.308 0.1 . 1 . . . . . 62 SER N . 16485 1 718 . 1 1 63 63 PHE H H 1 6.982 0.04 . 1 . . . . . 63 PHE H . 16485 1 719 . 1 1 63 63 PHE HA H 1 4.724 0.04 . 1 . . . . . 63 PHE HA . 16485 1 720 . 1 1 63 63 PHE HB2 H 1 3.158 0.04 . 1 . . . . . 63 PHE HB2 . 16485 1 721 . 1 1 63 63 PHE HB3 H 1 2.677 0.04 . 1 . . . . . 63 PHE HB3 . 16485 1 722 . 1 1 63 63 PHE HD1 H 1 6.991 0.04 . 3 . . . . . 63 PHE HD . 16485 1 723 . 1 1 63 63 PHE HD2 H 1 6.991 0.04 . 3 . . . . . 63 PHE HD . 16485 1 724 . 1 1 63 63 PHE HE1 H 1 7.027 0.04 . 3 . . . . . 63 PHE HE . 16485 1 725 . 1 1 63 63 PHE HE2 H 1 7.027 0.04 . 3 . . . . . 63 PHE HE . 16485 1 726 . 1 1 63 63 PHE C C 13 176.258 0.4 . 1 . . . . . 63 PHE C . 16485 1 727 . 1 1 63 63 PHE CA C 13 57.796 0.4 . 1 . . . . . 63 PHE CA . 16485 1 728 . 1 1 63 63 PHE CB C 13 40.940 0.4 . 1 . . . . . 63 PHE CB . 16485 1 729 . 1 1 63 63 PHE N N 15 115.815 0.1 . 1 . . . . . 63 PHE N . 16485 1 730 . 1 1 64 64 LYS H H 1 8.851 0.04 . 1 . . . . . 64 LYS H . 16485 1 731 . 1 1 64 64 LYS HA H 1 4.144 0.04 . 1 . . . . . 64 LYS HA . 16485 1 732 . 1 1 64 64 LYS HB2 H 1 1.888 0.04 . 1 . . . . . 64 LYS HB2 . 16485 1 733 . 1 1 64 64 LYS HB3 H 1 1.675 0.04 . 1 . . . . . 64 LYS HB3 . 16485 1 734 . 1 1 64 64 LYS HE2 H 1 2.960 0.04 . 2 . . . . . 64 LYS HE . 16485 1 735 . 1 1 64 64 LYS HE3 H 1 2.960 0.04 . 2 . . . . . 64 LYS HE . 16485 1 736 . 1 1 64 64 LYS HG2 H 1 1.264 0.04 . 2 . . . . . 64 LYS HG . 16485 1 737 . 1 1 64 64 LYS HG3 H 1 1.264 0.04 . 2 . . . . . 64 LYS HG . 16485 1 738 . 1 1 64 64 LYS C C 13 177.416 0.4 . 1 . . . . . 64 LYS C . 16485 1 739 . 1 1 64 64 LYS CA C 13 57.669 0.4 . 1 . . . . . 64 LYS CA . 16485 1 740 . 1 1 64 64 LYS CB C 13 33.290 0.4 . 1 . . . . . 64 LYS CB . 16485 1 741 . 1 1 64 64 LYS CD C 13 27.457 0.4 . 1 . . . . . 64 LYS CD . 16485 1 742 . 1 1 64 64 LYS CE C 13 42.265 0.4 . 1 . . . . . 64 LYS CE . 16485 1 743 . 1 1 64 64 LYS CG C 13 26.291 0.4 . 1 . . . . . 64 LYS CG . 16485 1 744 . 1 1 64 64 LYS N N 15 122.163 0.1 . 1 . . . . . 64 LYS N . 16485 1 745 . 1 1 65 65 ARG H H 1 8.576 0.04 . 1 . . . . . 65 ARG H . 16485 1 746 . 1 1 65 65 ARG HA H 1 4.321 0.04 . 1 . . . . . 65 ARG HA . 16485 1 747 . 1 1 65 65 ARG HB2 H 1 1.932 0.04 . 1 . . . . . 65 ARG HB2 . 16485 1 748 . 1 1 65 65 ARG HB3 H 1 1.837 0.04 . 1 . . . . . 65 ARG HB3 . 16485 1 749 . 1 1 65 65 ARG HD2 H 1 3.238 0.04 . 2 . . . . . 65 ARG HD . 16485 1 750 . 1 1 65 65 ARG HD3 H 1 3.238 0.04 . 2 . . . . . 65 ARG HD . 16485 1 751 . 1 1 65 65 ARG HE H 1 7.211 0.04 . 1 . . . . . 65 ARG HE . 16485 1 752 . 1 1 65 65 ARG HG2 H 1 1.733 0.04 . 1 . . . . . 65 ARG HG2 . 16485 1 753 . 1 1 65 65 ARG HG3 H 1 1.676 0.04 . 1 . . . . . 65 ARG HG3 . 16485 1 754 . 1 1 65 65 ARG HH11 H 1 6.998 0.04 . 2 . . . . . 65 ARG HH1 . 16485 1 755 . 1 1 65 65 ARG HH12 H 1 6.998 0.04 . 2 . . . . . 65 ARG HH1 . 16485 1 756 . 1 1 65 65 ARG C C 13 176.745 0.4 . 1 . . . . . 65 ARG C . 16485 1 757 . 1 1 65 65 ARG CA C 13 57.311 0.4 . 1 . . . . . 65 ARG CA . 16485 1 758 . 1 1 65 65 ARG CB C 13 30.962 0.4 . 1 . . . . . 65 ARG CB . 16485 1 759 . 1 1 65 65 ARG CD C 13 43.516 0.4 . 1 . . . . . 65 ARG CD . 16485 1 760 . 1 1 65 65 ARG CG C 13 27.655 0.4 . 1 . . . . . 65 ARG CG . 16485 1 761 . 1 1 65 65 ARG N N 15 122.995 0.1 . 1 . . . . . 65 ARG N . 16485 1 762 . 1 1 65 65 ARG NH1 N 15 100.904 0.1 . 2 . . . . . 65 ARG NH1 . 16485 1 763 . 1 1 66 66 GLU H H 1 8.756 0.04 . 1 . . . . . 66 GLU H . 16485 1 764 . 1 1 66 66 GLU HA H 1 4.242 0.04 . 1 . . . . . 66 GLU HA . 16485 1 765 . 1 1 66 66 GLU HB2 H 1 2.169 0.04 . 1 . . . . . 66 GLU HB2 . 16485 1 766 . 1 1 66 66 GLU HB3 H 1 2.019 0.04 . 1 . . . . . 66 GLU HB3 . 16485 1 767 . 1 1 66 66 GLU HG2 H 1 2.250 0.04 . 2 . . . . . 66 GLU HG . 16485 1 768 . 1 1 66 66 GLU HG3 H 1 2.250 0.04 . 2 . . . . . 66 GLU HG . 16485 1 769 . 1 1 66 66 GLU C C 13 175.746 0.4 . 1 . . . . . 66 GLU C . 16485 1 770 . 1 1 66 66 GLU CA C 13 57.357 0.4 . 1 . . . . . 66 GLU CA . 16485 1 771 . 1 1 66 66 GLU CB C 13 29.027 0.4 . 1 . . . . . 66 GLU CB . 16485 1 772 . 1 1 66 66 GLU CG C 13 36.591 0.4 . 1 . . . . . 66 GLU CG . 16485 1 773 . 1 1 66 66 GLU N N 15 117.737 0.1 . 1 . . . . . 66 GLU N . 16485 1 774 . 1 1 67 67 SER H H 1 7.677 0.04 . 1 . . . . . 67 SER H . 16485 1 775 . 1 1 67 67 SER HA H 1 4.571 0.04 . 1 . . . . . 67 SER HA . 16485 1 776 . 1 1 67 67 SER HB2 H 1 3.977 0.04 . 1 . . . . . 67 SER HB2 . 16485 1 777 . 1 1 67 67 SER HB3 H 1 3.875 0.04 . 1 . . . . . 67 SER HB3 . 16485 1 778 . 1 1 67 67 SER C C 13 174.151 0.4 . 1 . . . . . 67 SER C . 16485 1 779 . 1 1 67 67 SER CA C 13 58.067 0.4 . 1 . . . . . 67 SER CA . 16485 1 780 . 1 1 67 67 SER CB C 13 64.971 0.4 . 1 . . . . . 67 SER CB . 16485 1 781 . 1 1 67 67 SER N N 15 114.129 0.1 . 1 . . . . . 67 SER N . 16485 1 782 . 1 1 68 68 ASN H H 1 9.096 0.04 . 1 . . . . . 68 ASN H . 16485 1 783 . 1 1 68 68 ASN HA H 1 4.605 0.04 . 1 . . . . . 68 ASN HA . 16485 1 784 . 1 1 68 68 ASN HB2 H 1 2.818 0.04 . 1 . . . . . 68 ASN HB2 . 16485 1 785 . 1 1 68 68 ASN HB3 H 1 2.772 0.04 . 1 . . . . . 68 ASN HB3 . 16485 1 786 . 1 1 68 68 ASN HD21 H 1 7.815 0.04 . 1 . . . . . 68 ASN HD21 . 16485 1 787 . 1 1 68 68 ASN HD22 H 1 6.996 0.04 . 1 . . . . . 68 ASN HD22 . 16485 1 788 . 1 1 68 68 ASN C C 13 176.012 0.4 . 1 . . . . . 68 ASN C . 16485 1 789 . 1 1 68 68 ASN CA C 13 55.596 0.4 . 1 . . . . . 68 ASN CA . 16485 1 790 . 1 1 68 68 ASN CB C 13 39.407 0.4 . 1 . . . . . 68 ASN CB . 16485 1 791 . 1 1 68 68 ASN N N 15 122.485 0.1 . 1 . . . . . 68 ASN N . 16485 1 792 . 1 1 68 68 ASN ND2 N 15 114.112 0.1 . 1 . . . . . 68 ASN ND2 . 16485 1 793 . 1 1 69 69 ASN H H 1 8.476 0.04 . 1 . . . . . 69 ASN H . 16485 1 794 . 1 1 69 69 ASN HA H 1 4.503 0.04 . 1 . . . . . 69 ASN HA . 16485 1 795 . 1 1 69 69 ASN HB2 H 1 3.023 0.04 . 1 . . . . . 69 ASN HB2 . 16485 1 796 . 1 1 69 69 ASN HB3 H 1 2.895 0.04 . 1 . . . . . 69 ASN HB3 . 16485 1 797 . 1 1 69 69 ASN HD21 H 1 7.676 0.04 . 1 . . . . . 69 ASN HD21 . 16485 1 798 . 1 1 69 69 ASN HD22 H 1 6.972 0.04 . 1 . . . . . 69 ASN HD22 . 16485 1 799 . 1 1 69 69 ASN CA C 13 58.783 0.4 . 1 . . . . . 69 ASN CA . 16485 1 800 . 1 1 69 69 ASN N N 15 119.744 0.1 . 1 . . . . . 69 ASN N . 16485 1 801 . 1 1 69 69 ASN ND2 N 15 113.619 0.1 . 1 . . . . . 69 ASN ND2 . 16485 1 802 . 1 1 70 70 LYS H H 1 7.619 0.04 . 1 . . . . . 70 LYS H . 16485 1 803 . 1 1 70 70 LYS HA H 1 4.245 0.04 . 1 . . . . . 70 LYS HA . 16485 1 804 . 1 1 70 70 LYS HB2 H 1 1.508 0.04 . 1 . . . . . 70 LYS HB2 . 16485 1 805 . 1 1 70 70 LYS HB3 H 1 1.407 0.04 . 1 . . . . . 70 LYS HB3 . 16485 1 806 . 1 1 70 70 LYS CA C 13 55.778 0.4 . 1 . . . . . 70 LYS CA . 16485 1 807 . 1 1 70 70 LYS CB C 13 28.218 0.4 . 1 . . . . . 70 LYS CB . 16485 1 808 . 1 1 70 70 LYS N N 15 129.276 0.1 . 1 . . . . . 70 LYS N . 16485 1 809 . 1 1 71 71 LEU H H 1 9.164 0.04 . 1 . . . . . 71 LEU H . 16485 1 810 . 1 1 71 71 LEU HA H 1 4.863 0.04 . 1 . . . . . 71 LEU HA . 16485 1 811 . 1 1 71 71 LEU HB2 H 1 1.588 0.04 . 1 . . . . . 71 LEU HB2 . 16485 1 812 . 1 1 71 71 LEU HB3 H 1 1.526 0.04 . 1 . . . . . 71 LEU HB3 . 16485 1 813 . 1 1 71 71 LEU HD11 H 1 0.988 0.04 . 2 . . . . . 71 LEU HD1 . 16485 1 814 . 1 1 71 71 LEU HD12 H 1 0.988 0.04 . 2 . . . . . 71 LEU HD1 . 16485 1 815 . 1 1 71 71 LEU HD13 H 1 0.988 0.04 . 2 . . . . . 71 LEU HD1 . 16485 1 816 . 1 1 71 71 LEU HD21 H 1 0.975 0.04 . 2 . . . . . 71 LEU HD2 . 16485 1 817 . 1 1 71 71 LEU HD22 H 1 0.975 0.04 . 2 . . . . . 71 LEU HD2 . 16485 1 818 . 1 1 71 71 LEU HD23 H 1 0.975 0.04 . 2 . . . . . 71 LEU HD2 . 16485 1 819 . 1 1 71 71 LEU HG H 1 1.407 0.04 . 1 . . . . . 71 LEU HG . 16485 1 820 . 1 1 71 71 LEU C C 13 177.093 0.4 . 1 . . . . . 71 LEU C . 16485 1 821 . 1 1 71 71 LEU CA C 13 53.064 0.4 . 1 . . . . . 71 LEU CA . 16485 1 822 . 1 1 71 71 LEU CB C 13 45.306 0.4 . 1 . . . . . 71 LEU CB . 16485 1 823 . 1 1 71 71 LEU CD1 C 13 26.118 0.4 . 1 . . . . . 71 LEU CD1 . 16485 1 824 . 1 1 71 71 LEU CD2 C 13 24.097 0.4 . 1 . . . . . 71 LEU CD2 . 16485 1 825 . 1 1 71 71 LEU CG C 13 25.279 0.4 . 1 . . . . . 71 LEU CG . 16485 1 826 . 1 1 71 71 LEU N N 15 121.151 0.1 . 1 . . . . . 71 LEU N . 16485 1 827 . 1 1 72 72 LEU H H 1 9.493 0.04 . 1 . . . . . 72 LEU H . 16485 1 828 . 1 1 72 72 LEU HA H 1 4.085 0.04 . 1 . . . . . 72 LEU HA . 16485 1 829 . 1 1 72 72 LEU HB2 H 1 1.610 0.04 . 1 . . . . . 72 LEU HB2 . 16485 1 830 . 1 1 72 72 LEU HB3 H 1 1.078 0.04 . 1 . . . . . 72 LEU HB3 . 16485 1 831 . 1 1 72 72 LEU HD11 H 1 0.308 0.04 . 2 . . . . . 72 LEU HD1 . 16485 1 832 . 1 1 72 72 LEU HD12 H 1 0.308 0.04 . 2 . . . . . 72 LEU HD1 . 16485 1 833 . 1 1 72 72 LEU HD13 H 1 0.308 0.04 . 2 . . . . . 72 LEU HD1 . 16485 1 834 . 1 1 72 72 LEU HD21 H 1 -1.279 0.04 . 2 . . . . . 72 LEU HD2 . 16485 1 835 . 1 1 72 72 LEU HD22 H 1 -1.279 0.04 . 2 . . . . . 72 LEU HD2 . 16485 1 836 . 1 1 72 72 LEU HD23 H 1 -1.279 0.04 . 2 . . . . . 72 LEU HD2 . 16485 1 837 . 1 1 72 72 LEU HG H 1 0.611 0.04 . 1 . . . . . 72 LEU HG . 16485 1 838 . 1 1 72 72 LEU C C 13 178.631 0.4 . 1 . . . . . 72 LEU C . 16485 1 839 . 1 1 72 72 LEU CA C 13 53.764 0.4 . 1 . . . . . 72 LEU CA . 16485 1 840 . 1 1 72 72 LEU CB C 13 43.023 0.4 . 1 . . . . . 72 LEU CB . 16485 1 841 . 1 1 72 72 LEU CD1 C 13 27.330 0.4 . 1 . . . . . 72 LEU CD1 . 16485 1 842 . 1 1 72 72 LEU CD2 C 13 22.291 0.4 . 1 . . . . . 72 LEU CD2 . 16485 1 843 . 1 1 72 72 LEU CG C 13 26.646 0.4 . 1 . . . . . 72 LEU CG . 16485 1 844 . 1 1 72 72 LEU N N 15 123.934 0.1 . 1 . . . . . 72 LEU N . 16485 1 845 . 1 1 73 73 LYS H H 1 8.355 0.04 . 1 . . . . . 73 LYS H . 16485 1 846 . 1 1 73 73 LYS HA H 1 3.956 0.04 . 1 . . . . . 73 LYS HA . 16485 1 847 . 1 1 73 73 LYS HB2 H 1 1.900 0.04 . 1 . . . . . 73 LYS HB2 . 16485 1 848 . 1 1 73 73 LYS HB3 H 1 1.521 0.04 . 1 . . . . . 73 LYS HB3 . 16485 1 849 . 1 1 73 73 LYS HD2 H 1 1.294 0.04 . 1 . . . . . 73 LYS HD2 . 16485 1 850 . 1 1 73 73 LYS HD3 H 1 1.101 0.04 . 1 . . . . . 73 LYS HD3 . 16485 1 851 . 1 1 73 73 LYS HE2 H 1 2.953 0.04 . 2 . . . . . 73 LYS HE . 16485 1 852 . 1 1 73 73 LYS HE3 H 1 2.953 0.04 . 2 . . . . . 73 LYS HE . 16485 1 853 . 1 1 73 73 LYS HG2 H 1 1.637 0.04 . 2 . . . . . 73 LYS HG . 16485 1 854 . 1 1 73 73 LYS HG3 H 1 1.637 0.04 . 2 . . . . . 73 LYS HG . 16485 1 855 . 1 1 73 73 LYS C C 13 177.671 0.4 . 1 . . . . . 73 LYS C . 16485 1 856 . 1 1 73 73 LYS CA C 13 57.450 0.4 . 1 . . . . . 73 LYS CA . 16485 1 857 . 1 1 73 73 LYS CB C 13 34.183 0.4 . 1 . . . . . 73 LYS CB . 16485 1 858 . 1 1 73 73 LYS CD C 13 26.912 0.4 . 1 . . . . . 73 LYS CD . 16485 1 859 . 1 1 73 73 LYS CE C 13 42.492 0.4 . 1 . . . . . 73 LYS CE . 16485 1 860 . 1 1 73 73 LYS CG C 13 30.213 0.4 . 1 . . . . . 73 LYS CG . 16485 1 861 . 1 1 73 73 LYS N N 15 119.785 0.1 . 1 . . . . . 73 LYS N . 16485 1 862 . 1 1 74 74 GLU H H 1 8.841 0.04 . 1 . . . . . 74 GLU H . 16485 1 863 . 1 1 74 74 GLU HA H 1 4.041 0.04 . 1 . . . . . 74 GLU HA . 16485 1 864 . 1 1 74 74 GLU HB2 H 1 2.023 0.04 . 1 . . . . . 74 GLU HB2 . 16485 1 865 . 1 1 74 74 GLU HB3 H 1 1.945 0.04 . 1 . . . . . 74 GLU HB3 . 16485 1 866 . 1 1 74 74 GLU HG2 H 1 2.295 0.04 . 2 . . . . . 74 GLU HG . 16485 1 867 . 1 1 74 74 GLU HG3 H 1 2.295 0.04 . 2 . . . . . 74 GLU HG . 16485 1 868 . 1 1 74 74 GLU C C 13 176.425 0.4 . 1 . . . . . 74 GLU C . 16485 1 869 . 1 1 74 74 GLU CA C 13 59.101 0.4 . 1 . . . . . 74 GLU CA . 16485 1 870 . 1 1 74 74 GLU CB C 13 29.702 0.4 . 1 . . . . . 74 GLU CB . 16485 1 871 . 1 1 74 74 GLU CG C 13 36.359 0.4 . 1 . . . . . 74 GLU CG . 16485 1 872 . 1 1 74 74 GLU N N 15 120.511 0.1 . 1 . . . . . 74 GLU N . 16485 1 873 . 1 1 75 75 ASN H H 1 8.244 0.04 . 1 . . . . . 75 ASN H . 16485 1 874 . 1 1 75 75 ASN HA H 1 4.804 0.04 . 1 . . . . . 75 ASN HA . 16485 1 875 . 1 1 75 75 ASN HB2 H 1 3.005 0.04 . 1 . . . . . 75 ASN HB2 . 16485 1 876 . 1 1 75 75 ASN HB3 H 1 2.873 0.04 . 1 . . . . . 75 ASN HB3 . 16485 1 877 . 1 1 75 75 ASN HD21 H 1 7.567 0.04 . 1 . . . . . 75 ASN HD21 . 16485 1 878 . 1 1 75 75 ASN HD22 H 1 6.882 0.04 . 1 . . . . . 75 ASN HD22 . 16485 1 879 . 1 1 75 75 ASN C C 13 174.646 0.4 . 1 . . . . . 75 ASN C . 16485 1 880 . 1 1 75 75 ASN CA C 13 52.701 0.4 . 1 . . . . . 75 ASN CA . 16485 1 881 . 1 1 75 75 ASN CB C 13 38.000 0.4 . 1 . . . . . 75 ASN CB . 16485 1 882 . 1 1 75 75 ASN N N 15 114.684 0.1 . 1 . . . . . 75 ASN N . 16485 1 883 . 1 1 75 75 ASN ND2 N 15 112.473 0.1 . 1 . . . . . 75 ASN ND2 . 16485 1 884 . 1 1 76 76 ALA H H 1 7.460 0.04 . 1 . . . . . 76 ALA H . 16485 1 885 . 1 1 76 76 ALA HA H 1 4.332 0.04 . 1 . . . . . 76 ALA HA . 16485 1 886 . 1 1 76 76 ALA HB1 H 1 1.438 0.04 . 1 . . . . . 76 ALA HB . 16485 1 887 . 1 1 76 76 ALA HB2 H 1 1.438 0.04 . 1 . . . . . 76 ALA HB . 16485 1 888 . 1 1 76 76 ALA HB3 H 1 1.438 0.04 . 1 . . . . . 76 ALA HB . 16485 1 889 . 1 1 76 76 ALA C C 13 177.138 0.4 . 1 . . . . . 76 ALA C . 16485 1 890 . 1 1 76 76 ALA CA C 13 53.814 0.4 . 1 . . . . . 76 ALA CA . 16485 1 891 . 1 1 76 76 ALA CB C 13 21.071 0.4 . 1 . . . . . 76 ALA CB . 16485 1 892 . 1 1 76 76 ALA N N 15 122.053 0.1 . 1 . . . . . 76 ALA N . 16485 1 893 . 1 1 77 77 VAL H H 1 8.125 0.04 . 1 . . . . . 77 VAL H . 16485 1 894 . 1 1 77 77 VAL HA H 1 4.295 0.04 . 1 . . . . . 77 VAL HA . 16485 1 895 . 1 1 77 77 VAL HB H 1 1.846 0.04 . 1 . . . . . 77 VAL HB . 16485 1 896 . 1 1 77 77 VAL HG11 H 1 1.041 0.04 . 2 . . . . . 77 VAL HG1 . 16485 1 897 . 1 1 77 77 VAL HG12 H 1 1.041 0.04 . 2 . . . . . 77 VAL HG1 . 16485 1 898 . 1 1 77 77 VAL HG13 H 1 1.041 0.04 . 2 . . . . . 77 VAL HG1 . 16485 1 899 . 1 1 77 77 VAL HG21 H 1 0.939 0.04 . 2 . . . . . 77 VAL HG2 . 16485 1 900 . 1 1 77 77 VAL HG22 H 1 0.939 0.04 . 2 . . . . . 77 VAL HG2 . 16485 1 901 . 1 1 77 77 VAL HG23 H 1 0.939 0.04 . 2 . . . . . 77 VAL HG2 . 16485 1 902 . 1 1 77 77 VAL CA C 13 58.514 0.4 . 1 . . . . . 77 VAL CA . 16485 1 903 . 1 1 77 77 VAL CB C 13 36.910 0.4 . 1 . . . . . 77 VAL CB . 16485 1 904 . 1 1 77 77 VAL CG1 C 13 21.796 0.4 . 1 . . . . . 77 VAL CG1 . 16485 1 905 . 1 1 77 77 VAL CG2 C 13 21.301 0.4 . 1 . . . . . 77 VAL CG2 . 16485 1 906 . 1 1 77 77 VAL N N 15 118.239 0.1 . 1 . . . . . 77 VAL N . 16485 1 907 . 1 1 78 78 PRO HA H 1 3.183 0.04 . 1 . . . . . 78 PRO HA . 16485 1 908 . 1 1 78 78 PRO HB2 H 1 1.125 0.04 . 1 . . . . . 78 PRO HB2 . 16485 1 909 . 1 1 78 78 PRO HB3 H 1 -0.079 0.04 . 1 . . . . . 78 PRO HB3 . 16485 1 910 . 1 1 78 78 PRO HD2 H 1 2.682 0.04 . 1 . . . . . 78 PRO HD2 . 16485 1 911 . 1 1 78 78 PRO HD3 H 1 1.478 0.04 . 1 . . . . . 78 PRO HD3 . 16485 1 912 . 1 1 78 78 PRO HG2 H 1 0.751 0.04 . 1 . . . . . 78 PRO HG . 16485 1 913 . 1 1 78 78 PRO HG3 H 1 0.751 0.04 . 1 . . . . . 78 PRO HG . 16485 1 914 . 1 1 78 78 PRO C C 13 175.367 0.4 . 1 . . . . . 78 PRO C . 16485 1 915 . 1 1 78 78 PRO CA C 13 62.679 0.4 . 1 . . . . . 78 PRO CA . 16485 1 916 . 1 1 78 78 PRO CB C 13 30.934 0.4 . 1 . . . . . 78 PRO CB . 16485 1 917 . 1 1 78 78 PRO CD C 13 48.084 0.4 . 1 . . . . . 78 PRO CD . 16485 1 918 . 1 1 78 78 PRO CG C 13 25.984 0.4 . 1 . . . . . 78 PRO CG . 16485 1 919 . 1 1 79 79 THR H H 1 7.504 0.04 . 1 . . . . . 79 THR H . 16485 1 920 . 1 1 79 79 THR HA H 1 4.515 0.04 . 1 . . . . . 79 THR HA . 16485 1 921 . 1 1 79 79 THR HB H 1 4.288 0.04 . 1 . . . . . 79 THR HB . 16485 1 922 . 1 1 79 79 THR HG21 H 1 1.072 0.04 . 1 . . . . . 79 THR HG2 . 16485 1 923 . 1 1 79 79 THR HG22 H 1 1.072 0.04 . 1 . . . . . 79 THR HG2 . 16485 1 924 . 1 1 79 79 THR HG23 H 1 1.072 0.04 . 1 . . . . . 79 THR HG2 . 16485 1 925 . 1 1 79 79 THR C C 13 175.960 0.4 . 1 . . . . . 79 THR C . 16485 1 926 . 1 1 79 79 THR CA C 13 61.657 0.4 . 1 . . . . . 79 THR CA . 16485 1 927 . 1 1 79 79 THR CB C 13 72.021 0.4 . 1 . . . . . 79 THR CB . 16485 1 928 . 1 1 79 79 THR CG2 C 13 22.049 0.4 . 1 . . . . . 79 THR CG2 . 16485 1 929 . 1 1 79 79 THR N N 15 108.769 0.1 . 1 . . . . . 79 THR N . 16485 1 930 . 1 1 80 80 ILE H H 1 8.003 0.04 . 1 . . . . . 80 ILE H . 16485 1 931 . 1 1 80 80 ILE HA H 1 4.085 0.04 . 1 . . . . . 80 ILE HA . 16485 1 932 . 1 1 80 80 ILE HB H 1 1.486 0.04 . 1 . . . . . 80 ILE HB . 16485 1 933 . 1 1 80 80 ILE HD11 H 1 0.559 0.04 . 1 . . . . . 80 ILE HD1 . 16485 1 934 . 1 1 80 80 ILE HD12 H 1 0.559 0.04 . 1 . . . . . 80 ILE HD1 . 16485 1 935 . 1 1 80 80 ILE HD13 H 1 0.559 0.04 . 1 . . . . . 80 ILE HD1 . 16485 1 936 . 1 1 80 80 ILE HG12 H 1 1.266 0.04 . 1 . . . . . 80 ILE HG12 . 16485 1 937 . 1 1 80 80 ILE HG13 H 1 0.750 0.04 . 1 . . . . . 80 ILE HG13 . 16485 1 938 . 1 1 80 80 ILE HG21 H 1 0.696 0.04 . 1 . . . . . 80 ILE HG2 . 16485 1 939 . 1 1 80 80 ILE HG22 H 1 0.696 0.04 . 1 . . . . . 80 ILE HG2 . 16485 1 940 . 1 1 80 80 ILE HG23 H 1 0.696 0.04 . 1 . . . . . 80 ILE HG2 . 16485 1 941 . 1 1 80 80 ILE C C 13 176.470 0.4 . 1 . . . . . 80 ILE C . 16485 1 942 . 1 1 80 80 ILE CA C 13 61.470 0.4 . 1 . . . . . 80 ILE CA . 16485 1 943 . 1 1 80 80 ILE CB C 13 38.400 0.4 . 1 . . . . . 80 ILE CB . 16485 1 944 . 1 1 80 80 ILE CD1 C 13 13.465 0.4 . 1 . . . . . 80 ILE CD1 . 16485 1 945 . 1 1 80 80 ILE CG1 C 13 26.631 0.4 . 1 . . . . . 80 ILE CG1 . 16485 1 946 . 1 1 80 80 ILE CG2 C 13 17.499 0.4 . 1 . . . . . 80 ILE CG2 . 16485 1 947 . 1 1 80 80 ILE N N 15 125.984 0.1 . 1 . . . . . 80 ILE N . 16485 1 948 . 1 1 81 81 PHE H H 1 8.332 0.04 . 1 . . . . . 81 PHE H . 16485 1 949 . 1 1 81 81 PHE HA H 1 4.902 0.04 . 1 . . . . . 81 PHE HA . 16485 1 950 . 1 1 81 81 PHE HB2 H 1 3.270 0.04 . 1 . . . . . 81 PHE HB2 . 16485 1 951 . 1 1 81 81 PHE HB3 H 1 2.724 0.04 . 1 . . . . . 81 PHE HB3 . 16485 1 952 . 1 1 81 81 PHE HD1 H 1 7.088 0.04 . 3 . . . . . 81 PHE HD . 16485 1 953 . 1 1 81 81 PHE HD2 H 1 7.088 0.04 . 3 . . . . . 81 PHE HD . 16485 1 954 . 1 1 81 81 PHE HE1 H 1 6.701 0.04 . 3 . . . . . 81 PHE HE . 16485 1 955 . 1 1 81 81 PHE HE2 H 1 6.701 0.04 . 3 . . . . . 81 PHE HE . 16485 1 956 . 1 1 81 81 PHE HZ H 1 6.525 0.04 . 1 . . . . . 81 PHE HZ . 16485 1 957 . 1 1 81 81 PHE CA C 13 56.791 0.4 . 1 . . . . . 81 PHE CA . 16485 1 958 . 1 1 81 81 PHE CB C 13 41.976 0.4 . 1 . . . . . 81 PHE CB . 16485 1 959 . 1 1 81 81 PHE CD1 C 13 132.622 0.4 . 3 . . . . . 81 PHE CD1 . 16485 1 960 . 1 1 81 81 PHE CE1 C 13 130.421 0.4 . 3 . . . . . 81 PHE CE1 . 16485 1 961 . 1 1 81 81 PHE N N 15 124.776 0.1 . 1 . . . . . 81 PHE N . 16485 1 962 . 1 1 82 82 LEU H H 1 8.994 0.04 . 1 . . . . . 82 LEU H . 16485 1 963 . 1 1 82 82 LEU HA H 1 4.317 0.04 . 1 . . . . . 82 LEU HA . 16485 1 964 . 1 1 82 82 LEU HB2 H 1 1.700 0.04 . 1 . . . . . 82 LEU HB2 . 16485 1 965 . 1 1 82 82 LEU HB3 H 1 1.610 0.04 . 1 . . . . . 82 LEU HB3 . 16485 1 966 . 1 1 82 82 LEU HD11 H 1 0.913 0.04 . 2 . . . . . 82 LEU HD1 . 16485 1 967 . 1 1 82 82 LEU HD12 H 1 0.913 0.04 . 2 . . . . . 82 LEU HD1 . 16485 1 968 . 1 1 82 82 LEU HD13 H 1 0.913 0.04 . 2 . . . . . 82 LEU HD1 . 16485 1 969 . 1 1 82 82 LEU HD21 H 1 0.866 0.04 . 2 . . . . . 82 LEU HD2 . 16485 1 970 . 1 1 82 82 LEU HD22 H 1 0.866 0.04 . 2 . . . . . 82 LEU HD2 . 16485 1 971 . 1 1 82 82 LEU HD23 H 1 0.866 0.04 . 2 . . . . . 82 LEU HD2 . 16485 1 972 . 1 1 82 82 LEU C C 13 177.299 0.4 . 1 . . . . . 82 LEU C . 16485 1 973 . 1 1 82 82 LEU CA C 13 55.709 0.4 . 1 . . . . . 82 LEU CA . 16485 1 974 . 1 1 82 82 LEU CB C 13 42.686 0.4 . 1 . . . . . 82 LEU CB . 16485 1 975 . 1 1 82 82 LEU CD1 C 13 25.116 0.4 . 1 . . . . . 82 LEU CD1 . 16485 1 976 . 1 1 82 82 LEU CD2 C 13 23.857 0.4 . 1 . . . . . 82 LEU CD2 . 16485 1 977 . 1 1 83 83 GLU H H 1 8.504 0.04 . 1 . . . . . 83 GLU H . 16485 1 978 . 1 1 83 83 GLU HA H 1 4.354 0.04 . 1 . . . . . 83 GLU HA . 16485 1 979 . 1 1 83 83 GLU HB2 H 1 2.050 0.04 . 1 . . . . . 83 GLU HB2 . 16485 1 980 . 1 1 83 83 GLU HB3 H 1 1.955 0.04 . 1 . . . . . 83 GLU HB3 . 16485 1 981 . 1 1 83 83 GLU HG2 H 1 2.293 0.04 . 2 . . . . . 83 GLU HG . 16485 1 982 . 1 1 83 83 GLU HG3 H 1 2.293 0.04 . 2 . . . . . 83 GLU HG . 16485 1 983 . 1 1 83 83 GLU C C 13 176.039 0.4 . 1 . . . . . 83 GLU C . 16485 1 984 . 1 1 83 83 GLU CA C 13 56.536 0.4 . 1 . . . . . 83 GLU CA . 16485 1 985 . 1 1 83 83 GLU CB C 13 30.527 0.4 . 1 . . . . . 83 GLU CB . 16485 1 986 . 1 1 83 83 GLU CG C 13 36.353 0.4 . 1 . . . . . 83 GLU CG . 16485 1 987 . 1 1 83 83 GLU N N 15 121.489 0.1 . 1 . . . . . 83 GLU N . 16485 1 988 . 1 1 84 84 LEU H H 1 8.239 0.04 . 1 . . . . . 84 LEU H . 16485 1 989 . 1 1 84 84 LEU HA H 1 4.345 0.04 . 1 . . . . . 84 LEU HA . 16485 1 990 . 1 1 84 84 LEU HB2 H 1 1.608 0.04 . 1 . . . . . 84 LEU HB2 . 16485 1 991 . 1 1 84 84 LEU HB3 H 1 1.560 0.04 . 1 . . . . . 84 LEU HB3 . 16485 1 992 . 1 1 84 84 LEU HD11 H 1 0.808 0.04 . 2 . . . . . 84 LEU HD1 . 16485 1 993 . 1 1 84 84 LEU HD12 H 1 0.808 0.04 . 2 . . . . . 84 LEU HD1 . 16485 1 994 . 1 1 84 84 LEU HD13 H 1 0.808 0.04 . 2 . . . . . 84 LEU HD1 . 16485 1 995 . 1 1 84 84 LEU HD21 H 1 0.866 0.04 . 2 . . . . . 84 LEU HD2 . 16485 1 996 . 1 1 84 84 LEU HD22 H 1 0.866 0.04 . 2 . . . . . 84 LEU HD2 . 16485 1 997 . 1 1 84 84 LEU HD23 H 1 0.866 0.04 . 2 . . . . . 84 LEU HD2 . 16485 1 998 . 1 1 84 84 LEU HG H 1 1.076 0.04 . 1 . . . . . 84 LEU HG . 16485 1 999 . 1 1 84 84 LEU C C 13 176.811 0.4 . 1 . . . . . 84 LEU C . 16485 1 1000 . 1 1 84 84 LEU CA C 13 55.413 0.4 . 1 . . . . . 84 LEU CA . 16485 1 1001 . 1 1 84 84 LEU CB C 13 42.730 0.4 . 1 . . . . . 84 LEU CB . 16485 1 1002 . 1 1 84 84 LEU CD1 C 13 23.875 0.4 . 1 . . . . . 84 LEU CD1 . 16485 1 1003 . 1 1 84 84 LEU CD2 C 13 25.183 0.4 . 1 . . . . . 84 LEU CD2 . 16485 1 1004 . 1 1 84 84 LEU N N 15 123.388 0.1 . 1 . . . . . 84 LEU N . 16485 1 1005 . 1 1 85 85 VAL H H 1 8.027 0.04 . 1 . . . . . 85 VAL H . 16485 1 1006 . 1 1 85 85 VAL HA H 1 4.365 0.04 . 1 . . . . . 85 VAL HA . 16485 1 1007 . 1 1 85 85 VAL HB H 1 2.033 0.04 . 1 . . . . . 85 VAL HB . 16485 1 1008 . 1 1 85 85 VAL HG11 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1009 . 1 1 85 85 VAL HG12 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1010 . 1 1 85 85 VAL HG13 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1011 . 1 1 85 85 VAL HG21 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1012 . 1 1 85 85 VAL HG22 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1013 . 1 1 85 85 VAL HG23 H 1 0.904 0.04 . 2 . . . . . 85 VAL HG . 16485 1 1014 . 1 1 85 85 VAL CA C 13 59.854 0.4 . 1 . . . . . 85 VAL CA . 16485 1 1015 . 1 1 85 85 VAL CB C 13 33.021 0.4 . 1 . . . . . 85 VAL CB . 16485 1 1016 . 1 1 85 85 VAL CG1 C 13 20.691 0.4 . 2 . . . . . 85 VAL CG1 . 16485 1 1017 . 1 1 85 85 VAL N N 15 122.651 0.1 . 1 . . . . . 85 VAL N . 16485 1 1018 . 1 1 86 86 PRO HA H 1 4.365 0.04 . 1 . . . . . 86 PRO HA . 16485 1 1019 . 1 1 86 86 PRO HB2 H 1 2.037 0.04 . 1 . . . . . 86 PRO HB2 . 16485 1 1020 . 1 1 86 86 PRO HB3 H 1 1.923 0.04 . 1 . . . . . 86 PRO HB3 . 16485 1 1021 . 1 1 86 86 PRO HD2 H 1 3.829 0.04 . 1 . . . . . 86 PRO HD2 . 16485 1 1022 . 1 1 86 86 PRO HD3 H 1 3.631 0.04 . 1 . . . . . 86 PRO HD3 . 16485 1 1023 . 1 1 86 86 PRO HG2 H 1 2.250 0.04 . 2 . . . . . 86 PRO HG . 16485 1 1024 . 1 1 86 86 PRO HG3 H 1 2.250 0.04 . 2 . . . . . 86 PRO HG . 16485 1 1025 . 1 1 86 86 PRO C C 13 175.966 0.4 . 1 . . . . . 86 PRO C . 16485 1 1026 . 1 1 86 86 PRO CA C 13 63.602 0.4 . 1 . . . . . 86 PRO CA . 16485 1 1027 . 1 1 86 86 PRO CB C 13 27.688 0.4 . 1 . . . . . 86 PRO CB . 16485 1 1028 . 1 1 86 86 PRO CD C 13 51.394 0.4 . 1 . . . . . 86 PRO CD . 16485 1 1029 . 1 1 86 86 PRO CG C 13 32.273 0.4 . 1 . . . . . 86 PRO CG . 16485 1 1030 . 1 1 87 87 ARG H H 1 7.968 0.04 . 1 . . . . . 87 ARG H . 16485 1 1031 . 1 1 87 87 ARG HA H 1 4.130 0.04 . 1 . . . . . 87 ARG HA . 16485 1 1032 . 1 1 87 87 ARG HB2 H 1 1.820 0.04 . 1 . . . . . 87 ARG HB2 . 16485 1 1033 . 1 1 87 87 ARG HB3 H 1 1.688 0.04 . 1 . . . . . 87 ARG HB3 . 16485 1 1034 . 1 1 87 87 ARG HD2 H 1 3.163 0.04 . 2 . . . . . 87 ARG HD . 16485 1 1035 . 1 1 87 87 ARG HD3 H 1 3.163 0.04 . 2 . . . . . 87 ARG HD . 16485 1 1036 . 1 1 87 87 ARG HG2 H 1 1.615 0.04 . 2 . . . . . 87 ARG HG . 16485 1 1037 . 1 1 87 87 ARG HG3 H 1 1.615 0.04 . 2 . . . . . 87 ARG HG . 16485 1 1038 . 1 1 87 87 ARG CA C 13 68.037 0.4 . 1 . . . . . 87 ARG CA . 16485 1 1039 . 1 1 87 87 ARG CB C 13 31.781 0.4 . 1 . . . . . 87 ARG CB . 16485 1 1040 . 1 1 87 87 ARG CD C 13 43.769 0.4 . 1 . . . . . 87 ARG CD . 16485 1 1041 . 1 1 87 87 ARG CG C 13 27.416 0.4 . 1 . . . . . 87 ARG CG . 16485 1 1042 . 1 1 87 87 ARG N N 15 126.915 0.1 . 1 . . . . . 87 ARG N . 16485 1 stop_ save_ save_Assigned_chem_shifts_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_chem_shifts_list_2 _Assigned_chem_shift_list.Entry_ID 16485 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '2D 1H-1H NOESY' . . . 16485 2 10 '2D 1H-1H TOCSY' . . . 16485 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 16485 2 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 DG H1' H 1 5.972 0.04 . 1 . . . . . 88 G H1' . 16485 2 2 . 2 2 1 1 DG H2' H 1 2.632 0.04 . 1 . . . . . 88 G H2' . 16485 2 3 . 2 2 1 1 DG H2'' H 1 2.749 0.04 . 1 . . . . . 88 G H2'' . 16485 2 4 . 2 2 1 1 DG H3' H 1 4.812 0.04 . 1 . . . . . 88 G H3' . 16485 2 5 . 2 2 1 1 DG H4' H 1 4.218 0.04 . 1 . . . . . 88 G H4' . 16485 2 6 . 2 2 1 1 DG H5' H 1 3.708 0.04 . 1 . . . . . 88 G H5' . 16485 2 7 . 2 2 1 1 DG H5'' H 1 3.711 0.04 . 1 . . . . . 88 G H5'' . 16485 2 8 . 2 2 1 1 DG H8 H 1 7.945 0.04 . 1 . . . . . 88 G H8 . 16485 2 9 . 2 2 2 2 DC H1' H 1 6.092 0.04 . 1 . . . . . 89 C H1' . 16485 2 10 . 2 2 2 2 DC H2' H 1 2.158 0.04 . 1 . . . . . 89 C H2' . 16485 2 11 . 2 2 2 2 DC H2'' H 1 2.551 0.04 . 1 . . . . . 89 C H2'' . 16485 2 12 . 2 2 2 2 DC H3' H 1 4.808 0.04 . 1 . . . . . 89 C H3' . 16485 2 13 . 2 2 2 2 DC H4' H 1 4.256 0.04 . 1 . . . . . 89 C H4' . 16485 2 14 . 2 2 2 2 DC H5 H 1 5.345 0.04 . 1 . . . . . 89 C H5 . 16485 2 15 . 2 2 2 2 DC H5' H 1 4.132 0.04 . 1 . . . . . 89 C H5' . 16485 2 16 . 2 2 2 2 DC H5'' H 1 4.166 0.04 . 1 . . . . . 89 C H5'' . 16485 2 17 . 2 2 2 2 DC H6 H 1 7.513 0.04 . 1 . . . . . 89 C H6 . 16485 2 18 . 2 2 2 2 DC H41 H 1 6.635 0.04 . 1 . . . . . 89 C H41 . 16485 2 19 . 2 2 2 2 DC H42 H 1 8.229 0.04 . 1 . . . . . 89 C H42 . 16485 2 20 . 2 2 3 3 DT H1' H 1 6.048 0.04 . 1 . . . . . 90 T H1' . 16485 2 21 . 2 2 3 3 DT H2' H 1 2.142 0.04 . 1 . . . . . 90 T H2' . 16485 2 22 . 2 2 3 3 DT H2'' H 1 2.556 0.04 . 1 . . . . . 90 T H2'' . 16485 2 23 . 2 2 3 3 DT H3 H 1 14.072 0.04 . 1 . . . . . 90 T H3 . 16485 2 24 . 2 2 3 3 DT H3' H 1 4.850 0.04 . 1 . . . . . 90 T H3' . 16485 2 25 . 2 2 3 3 DT H4' H 1 4.174 0.04 . 1 . . . . . 90 T H4' . 16485 2 26 . 2 2 3 3 DT H5' H 1 4.092 0.04 . 1 . . . . . 90 T H5' . 16485 2 27 . 2 2 3 3 DT H5'' H 1 4.134 0.04 . 1 . . . . . 90 T H5'' . 16485 2 28 . 2 2 3 3 DT H6 H 1 7.421 0.04 . 1 . . . . . 90 T H6 . 16485 2 29 . 2 2 3 3 DT H71 H 1 1.590 0.04 . 2 . . . . . 90 T H7 . 16485 2 30 . 2 2 3 3 DT H72 H 1 1.590 0.04 . 2 . . . . . 90 T H7 . 16485 2 31 . 2 2 3 3 DT H73 H 1 1.590 0.04 . 2 . . . . . 90 T H7 . 16485 2 32 . 2 2 4 4 DT H1' H 1 5.804 0.04 . 1 . . . . . 91 T H1' . 16485 2 33 . 2 2 4 4 DT H2' H 1 2.160 0.04 . 1 . . . . . 91 T H2' . 16485 2 34 . 2 2 4 4 DT H2'' H 1 2.496 0.04 . 1 . . . . . 91 T H2'' . 16485 2 35 . 2 2 4 4 DT H3 H 1 13.671 0.04 . 1 . . . . . 91 T H3 . 16485 2 36 . 2 2 4 4 DT H4' H 1 4.857 0.04 . 1 . . . . . 91 T H4' . 16485 2 37 . 2 2 4 4 DT H6 H 1 7.344 0.04 . 1 . . . . . 91 T H6 . 16485 2 38 . 2 2 4 4 DT H71 H 1 1.663 0.04 . 2 . . . . . 91 T H7 . 16485 2 39 . 2 2 4 4 DT H72 H 1 1.663 0.04 . 2 . . . . . 91 T H7 . 16485 2 40 . 2 2 4 4 DT H73 H 1 1.663 0.04 . 2 . . . . . 91 T H7 . 16485 2 41 . 2 2 5 5 DG H1 H 1 12.370 0.04 . 1 . . . . . 92 G H1 . 16485 2 42 . 2 2 5 5 DG H1' H 1 5.891 0.04 . 1 . . . . . 92 G H1' . 16485 2 43 . 2 2 5 5 DG H2' H 1 2.559 0.04 . 1 . . . . . 92 G H2' . 16485 2 44 . 2 2 5 5 DG H2'' H 1 2.738 0.04 . 1 . . . . . 92 G H2'' . 16485 2 45 . 2 2 5 5 DG H3' H 1 4.896 0.04 . 1 . . . . . 92 G H3' . 16485 2 46 . 2 2 5 5 DG H4' H 1 4.349 0.04 . 1 . . . . . 92 G H4' . 16485 2 47 . 2 2 5 5 DG H5' H 1 4.089 0.04 . 1 . . . . . 92 G H5' . 16485 2 48 . 2 2 5 5 DG H5'' H 1 4.126 0.04 . 1 . . . . . 92 G H5'' . 16485 2 49 . 2 2 5 5 DG H8 H 1 7.821 0.04 . 1 . . . . . 92 G H8 . 16485 2 50 . 2 2 6 6 DT H1' H 1 5.805 0.04 . 1 . . . . . 93 T H1' . 16485 2 51 . 2 2 6 6 DT H2' H 1 2.065 0.04 . 1 . . . . . 93 T H2' . 16485 2 52 . 2 2 6 6 DT H2'' H 1 2.429 0.04 . 1 . . . . . 93 T H2'' . 16485 2 53 . 2 2 6 6 DT H3 H 1 13.358 0.04 . 1 . . . . . 93 T H3 . 16485 2 54 . 2 2 6 6 DT H3' H 1 4.764 0.04 . 1 . . . . . 93 T H3' . 16485 2 55 . 2 2 6 6 DT H4' H 1 4.338 0.04 . 1 . . . . . 93 T H4' . 16485 2 56 . 2 2 6 6 DT H5' H 1 4.089 0.04 . 1 . . . . . 93 T H5' . 16485 2 57 . 2 2 6 6 DT H5'' H 1 4.134 0.04 . 1 . . . . . 93 T H5'' . 16485 2 58 . 2 2 6 6 DT H6 H 1 7.094 0.04 . 1 . . . . . 93 T H6 . 16485 2 59 . 2 2 6 6 DT H71 H 1 1.336 0.04 . 2 . . . . . 93 T H7 . 16485 2 60 . 2 2 6 6 DT H72 H 1 1.336 0.04 . 2 . . . . . 93 T H7 . 16485 2 61 . 2 2 6 6 DT H73 H 1 1.336 0.04 . 2 . . . . . 93 T H7 . 16485 2 62 . 2 2 7 7 DG H1 H 1 12.434 0.04 . 1 . . . . . 94 G H1 . 16485 2 63 . 2 2 7 7 DG H1' H 1 5.879 0.04 . 1 . . . . . 94 G H1' . 16485 2 64 . 2 2 7 7 DG H2' H 1 2.515 0.04 . 1 . . . . . 94 G H2' . 16485 2 65 . 2 2 7 7 DG H2'' H 1 2.689 0.04 . 1 . . . . . 94 G H2'' . 16485 2 66 . 2 2 7 7 DG H3' H 1 4.892 0.04 . 1 . . . . . 94 G H3' . 16485 2 67 . 2 2 7 7 DG H4' H 1 4.294 0.04 . 1 . . . . . 94 G H4' . 16485 2 68 . 2 2 7 7 DG H5' H 1 4.162 0.04 . 1 . . . . . 94 G H5' . 16485 2 69 . 2 2 7 7 DG H5'' H 1 4.098 0.04 . 1 . . . . . 94 G H5'' . 16485 2 70 . 2 2 7 7 DG H8 H 1 7.763 0.04 . 1 . . . . . 94 G H8 . 16485 2 71 . 2 2 8 8 DT H1' H 1 5.694 0.04 . 1 . . . . . 95 T H1' . 16485 2 72 . 2 2 8 8 DT H2' H 1 2.296 0.04 . 1 . . . . . 95 T H2' . 16485 2 73 . 2 2 8 8 DT H2'' H 1 1.883 0.04 . 1 . . . . . 95 T H2'' . 16485 2 74 . 2 2 8 8 DT H3 H 1 13.556 0.04 . 1 . . . . . 95 T H3 . 16485 2 75 . 2 2 8 8 DT H3' H 1 4.889 0.04 . 1 . . . . . 95 T H3' . 16485 2 76 . 2 2 8 8 DT H4' H 1 4.297 0.04 . 1 . . . . . 95 T H4' . 16485 2 77 . 2 2 8 8 DT H5' H 1 4.105 0.04 . 1 . . . . . 95 T H5' . 16485 2 78 . 2 2 8 8 DT H5'' H 1 4.156 0.04 . 1 . . . . . 95 T H5'' . 16485 2 79 . 2 2 8 8 DT H6 H 1 7.062 0.04 . 1 . . . . . 95 T H6 . 16485 2 80 . 2 2 8 8 DT H71 H 1 1.315 0.04 . 2 . . . . . 95 T H7 . 16485 2 81 . 2 2 8 8 DT H72 H 1 1.315 0.04 . 2 . . . . . 95 T H7 . 16485 2 82 . 2 2 8 8 DT H73 H 1 1.315 0.04 . 2 . . . . . 95 T H7 . 16485 2 83 . 2 2 9 9 DG H1 H 1 12.778 0.04 . 1 . . . . . 96 G H1 . 16485 2 84 . 2 2 9 9 DG H1' H 1 5.545 0.04 . 1 . . . . . 96 G H1' . 16485 2 85 . 2 2 9 9 DG H2' H 1 2.579 0.04 . 1 . . . . . 96 G H2' . 16485 2 86 . 2 2 9 9 DG H2'' H 1 2.691 0.04 . 1 . . . . . 96 G H2'' . 16485 2 87 . 2 2 9 9 DG H8 H 1 7.767 0.04 . 1 . . . . . 96 G H8 . 16485 2 88 . 2 2 11 11 DG H1' H 1 5.760 0.04 . 1 . . . . . 98 G H1' . 16485 2 89 . 2 2 11 11 DG H2' H 1 2.392 0.04 . 1 . . . . . 98 G H2' . 16485 2 90 . 2 2 11 11 DG H2'' H 1 2.622 0.04 . 1 . . . . . 98 G H2'' . 16485 2 91 . 2 2 11 11 DG H3' H 1 4.890 0.04 . 1 . . . . . 98 G H3' . 16485 2 92 . 2 2 11 11 DG H4' H 1 4.308 0.04 . 1 . . . . . 98 G H4' . 16485 2 93 . 2 2 11 11 DG H5' H 1 4.113 0.04 . 1 . . . . . 98 G H5' . 16485 2 94 . 2 2 11 11 DG H5'' H 1 4.126 0.04 . 1 . . . . . 98 G H5'' . 16485 2 95 . 2 2 11 11 DG H8 H 1 7.576 0.04 . 1 . . . . . 98 G H8 . 16485 2 96 . 2 2 12 12 DC H1' H 1 5.487 0.04 . 1 . . . . . 99 C H1' . 16485 2 97 . 2 2 12 12 DC H2' H 1 1.895 0.04 . 1 . . . . . 99 C H2' . 16485 2 98 . 2 2 12 12 DC H2'' H 1 2.278 0.04 . 1 . . . . . 99 C H2'' . 16485 2 99 . 2 2 12 12 DC H3' H 1 4.784 0.04 . 1 . . . . . 99 C H3' . 16485 2 100 . 2 2 12 12 DC H4' H 1 4.326 0.04 . 1 . . . . . 99 C H4' . 16485 2 101 . 2 2 12 12 DC H5 H 1 5.237 0.04 . 1 . . . . . 99 C H5 . 16485 2 102 . 2 2 12 12 DC H5' H 1 4.072 0.04 . 1 . . . . . 99 C H5' . 16485 2 103 . 2 2 12 12 DC H5'' H 1 4.115 0.04 . 1 . . . . . 99 C H5'' . 16485 2 104 . 2 2 12 12 DC H6 H 1 7.243 0.04 . 1 . . . . . 99 C H6 . 16485 2 105 . 2 2 12 12 DC H41 H 1 6.328 0.04 . 1 . . . . . 99 C H41 . 16485 2 106 . 2 2 12 12 DC H42 H 1 8.300 0.04 . 1 . . . . . 99 C H42 . 16485 2 107 . 2 2 13 13 DA H1' H 1 5.954 0.04 . 1 . . . . . 100 A H1' . 16485 2 108 . 2 2 13 13 DA H2 H 1 7.602 0.04 . 1 . . . . . 100 A H2 . 16485 2 109 . 2 2 13 13 DA H2' H 1 2.679 0.04 . 1 . . . . . 100 A H2' . 16485 2 110 . 2 2 13 13 DA H2'' H 1 2.838 0.04 . 1 . . . . . 100 A H2'' . 16485 2 111 . 2 2 13 13 DA H3' H 1 4.997 0.04 . 1 . . . . . 100 A H3' . 16485 2 112 . 2 2 13 13 DA H4' H 1 4.339 0.04 . 1 . . . . . 100 A H4' . 16485 2 113 . 2 2 13 13 DA H5' H 1 3.970 0.04 . 1 . . . . . 100 A H5' . 16485 2 114 . 2 2 13 13 DA H5'' H 1 4.077 0.04 . 1 . . . . . 100 A H5'' . 16485 2 115 . 2 2 13 13 DA H8 H 1 8.150 0.04 . 1 . . . . . 100 A H8 . 16485 2 116 . 2 2 14 14 DG H1 H 1 12.771 0.04 . 1 . . . . . 101 G H1 . 16485 2 117 . 2 2 14 14 DG H1' H 1 5.706 0.04 . 1 . . . . . 101 G H1' . 16485 2 118 . 2 2 14 14 DG H2' H 1 2.466 0.04 . 1 . . . . . 101 G H2' . 16485 2 119 . 2 2 14 14 DG H2'' H 1 2.588 0.04 . 1 . . . . . 101 G H2'' . 16485 2 120 . 2 2 14 14 DG H3' H 1 4.932 0.04 . 1 . . . . . 101 G H3' . 16485 2 121 . 2 2 14 14 DG H4' H 1 4.332 0.04 . 1 . . . . . 101 G H4' . 16485 2 122 . 2 2 14 14 DG H5' H 1 4.078 0.04 . 1 . . . . . 101 G H5' . 16485 2 123 . 2 2 14 14 DG H5'' H 1 4.142 0.04 . 1 . . . . . 101 G H5'' . 16485 2 124 . 2 2 14 14 DG H8 H 1 7.664 0.04 . 1 . . . . . 101 G H8 . 16485 2 125 . 2 2 15 15 DC H1' H 1 5.712 0.04 . 1 . . . . . 102 C H1' . 16485 2 126 . 2 2 15 15 DC H2' H 1 1.838 0.04 . 1 . . . . . 102 C H2' . 16485 2 127 . 2 2 15 15 DC H2'' H 1 2.293 0.04 . 1 . . . . . 102 C H2'' . 16485 2 128 . 2 2 15 15 DC H3' H 1 4.934 0.04 . 1 . . . . . 102 C H3' . 16485 2 129 . 2 2 15 15 DC H4' H 1 4.331 0.04 . 1 . . . . . 102 C H4' . 16485 2 130 . 2 2 15 15 DC H5 H 1 5.318 0.04 . 1 . . . . . 102 C H5 . 16485 2 131 . 2 2 15 15 DC H5' H 1 4.071 0.04 . 1 . . . . . 102 C H5' . 16485 2 132 . 2 2 15 15 DC H5'' H 1 4.116 0.04 . 1 . . . . . 102 C H5'' . 16485 2 133 . 2 2 15 15 DC H6 H 1 7.255 0.04 . 1 . . . . . 102 C H6 . 16485 2 134 . 2 2 15 15 DC H41 H 1 6.469 0.04 . 1 . . . . . 102 C H41 . 16485 2 135 . 2 2 15 15 DC H42 H 1 8.317 0.04 . 1 . . . . . 102 C H42 . 16485 2 136 . 2 2 16 16 DG H1' H 1 6.118 0.04 . 1 . . . . . 103 G H1' . 16485 2 137 . 2 2 16 16 DG H2' H 1 2.332 0.04 . 1 . . . . . 103 G H2' . 16485 2 138 . 2 2 16 16 DG H2'' H 1 2.567 0.04 . 1 . . . . . 103 G H2'' . 16485 2 139 . 2 2 16 16 DG H3' H 1 4.637 0.04 . 1 . . . . . 103 G H3' . 16485 2 140 . 2 2 16 16 DG H4' H 1 4.137 0.04 . 1 . . . . . 103 G H4' . 16485 2 141 . 2 2 16 16 DG H5' H 1 4.102 0.04 . 1 . . . . . 103 G H5' . 16485 2 142 . 2 2 16 16 DG H5'' H 1 4.034 0.04 . 1 . . . . . 103 G H5'' . 16485 2 143 . 2 2 16 16 DG H8 H 1 7.893 0.04 . 1 . . . . . 103 G H8 . 16485 2 144 . 2 2 17 17 DC H1' H 1 5.738 0.04 . 1 . . . . . 104 C H1' . 16485 2 145 . 2 2 17 17 DC H2' H 1 1.946 0.04 . 1 . . . . . 104 C H2' . 16485 2 146 . 2 2 17 17 DC H2'' H 1 2.397 0.04 . 1 . . . . . 104 C H2'' . 16485 2 147 . 2 2 17 17 DC H3' H 1 4.682 0.04 . 1 . . . . . 104 C H3' . 16485 2 148 . 2 2 17 17 DC H4' H 1 4.039 0.04 . 1 . . . . . 104 C H4' . 16485 2 149 . 2 2 17 17 DC H5 H 1 5.872 0.04 . 1 . . . . . 104 C H5 . 16485 2 150 . 2 2 17 17 DC H5' H 1 3.699 0.04 . 1 . . . . . 104 C H5' . 16485 2 151 . 2 2 17 17 DC H5'' H 1 3.699 0.04 . 1 . . . . . 104 C H5'' . 16485 2 152 . 2 2 17 17 DC H6 H 1 7.603 0.04 . 1 . . . . . 104 C H6 . 16485 2 153 . 2 2 18 18 DG H1 H 1 12.999 0.04 . 1 . . . . . 105 G H1 . 16485 2 154 . 2 2 18 18 DG H1' H 1 5.899 0.04 . 1 . . . . . 105 G H1' . 16485 2 155 . 2 2 18 18 DG H2' H 1 2.665 0.04 . 1 . . . . . 105 G H2' . 16485 2 156 . 2 2 18 18 DG H2'' H 1 2.705 0.04 . 1 . . . . . 105 G H2'' . 16485 2 157 . 2 2 18 18 DG H3' H 1 4.951 0.04 . 1 . . . . . 105 G H3' . 16485 2 158 . 2 2 18 18 DG H4' H 1 4.338 0.04 . 1 . . . . . 105 G H4' . 16485 2 159 . 2 2 18 18 DG H5' H 1 3.966 0.04 . 1 . . . . . 105 G H5' . 16485 2 160 . 2 2 18 18 DG H5'' H 1 4.073 0.04 . 1 . . . . . 105 G H5'' . 16485 2 161 . 2 2 18 18 DG H8 H 1 7.942 0.04 . 1 . . . . . 105 G H8 . 16485 2 162 . 2 2 19 19 DC H1' H 1 5.985 0.04 . 1 . . . . . 106 C H1' . 16485 2 163 . 2 2 19 19 DC H2' H 1 2.012 0.04 . 1 . . . . . 106 C H2' . 16485 2 164 . 2 2 19 19 DC H2'' H 1 2.492 0.04 . 1 . . . . . 106 C H2'' . 16485 2 165 . 2 2 19 19 DC H3' H 1 4.950 0.04 . 1 . . . . . 106 C H3' . 16485 2 166 . 2 2 19 19 DC H4' H 1 4.338 0.04 . 1 . . . . . 106 C H4' . 16485 2 167 . 2 2 19 19 DC H5 H 1 5.331 0.04 . 1 . . . . . 106 C H5 . 16485 2 168 . 2 2 19 19 DC H5' H 1 4.129 0.04 . 1 . . . . . 106 C H5' . 16485 2 169 . 2 2 19 19 DC H5'' H 1 4.222 0.04 . 1 . . . . . 106 C H5'' . 16485 2 170 . 2 2 19 19 DC H6 H 1 7.405 0.04 . 1 . . . . . 106 C H6 . 16485 2 171 . 2 2 19 19 DC H41 H 1 6.520 0.04 . 1 . . . . . 106 C H41 . 16485 2 172 . 2 2 19 19 DC H42 H 1 8.199 0.04 . 1 . . . . . 106 C H42 . 16485 2 173 . 2 2 20 20 DT H1' H 1 5.731 0.04 . 1 . . . . . 107 T H1' . 16485 2 174 . 2 2 20 20 DT H2' H 1 2.036 0.04 . 1 . . . . . 107 T H2' . 16485 2 175 . 2 2 20 20 DT H2'' H 1 2.416 0.04 . 1 . . . . . 107 T H2'' . 16485 2 176 . 2 2 20 20 DT H3 H 1 13.906 0.04 . 1 . . . . . 107 T H3 . 16485 2 177 . 2 2 20 20 DT H3' H 1 4.838 0.04 . 1 . . . . . 107 T H3' . 16485 2 178 . 2 2 20 20 DT H4' H 1 4.217 0.04 . 1 . . . . . 107 T H4' . 16485 2 179 . 2 2 20 20 DT H5' H 1 4.043 0.04 . 1 . . . . . 107 T H5' . 16485 2 180 . 2 2 20 20 DT H5'' H 1 4.217 0.04 . 1 . . . . . 107 T H5'' . 16485 2 181 . 2 2 20 20 DT H6 H 1 7.271 0.04 . 1 . . . . . 107 T H6 . 16485 2 182 . 2 2 20 20 DT H71 H 1 1.608 0.04 . 2 . . . . . 107 T H7 . 16485 2 183 . 2 2 20 20 DT H72 H 1 1.608 0.04 . 2 . . . . . 107 T H7 . 16485 2 184 . 2 2 20 20 DT H73 H 1 1.608 0.04 . 2 . . . . . 107 T H7 . 16485 2 185 . 2 2 21 21 DG H1 H 1 12.717 0.04 . 1 . . . . . 108 G H1 . 16485 2 186 . 2 2 21 21 DG H1' H 1 5.797 0.04 . 1 . . . . . 108 G H1' . 16485 2 187 . 2 2 21 21 DG H2' H 1 2.625 0.04 . 1 . . . . . 108 G H2' . 16485 2 188 . 2 2 21 21 DG H2'' H 1 2.634 0.04 . 1 . . . . . 108 G H2'' . 16485 2 189 . 2 2 21 21 DG H3' H 1 4.941 0.04 . 1 . . . . . 108 G H3' . 16485 2 190 . 2 2 21 21 DG H4' H 1 4.346 0.04 . 1 . . . . . 108 G H4' . 16485 2 191 . 2 2 21 21 DG H5' H 1 4.039 0.04 . 1 . . . . . 108 G H5' . 16485 2 192 . 2 2 21 21 DG H5'' H 1 4.106 0.04 . 1 . . . . . 108 G H5'' . 16485 2 193 . 2 2 21 21 DG H8 H 1 7.857 0.04 . 1 . . . . . 108 G H8 . 16485 2 194 . 2 2 22 22 DC H1' H 1 5.895 0.04 . 1 . . . . . 109 C H1' . 16485 2 195 . 2 2 22 22 DC H2' H 1 2.132 0.04 . 1 . . . . . 109 C H2' . 16485 2 196 . 2 2 22 22 DC H2'' H 1 2.427 0.04 . 1 . . . . . 109 C H2'' . 16485 2 197 . 2 2 22 22 DC H5 H 1 5.838 0.04 . 1 . . . . . 109 C H5 . 16485 2 198 . 2 2 22 22 DC H6 H 1 7.366 0.04 . 1 . . . . . 109 C H6 . 16485 2 199 . 2 2 22 22 DC H41 H 1 6.442 0.04 . 1 . . . . . 109 C H41 . 16485 2 200 . 2 2 22 22 DC H42 H 1 8.083 0.04 . 1 . . . . . 109 C H42 . 16485 2 201 . 2 2 23 23 DC H1' H 1 5.834 0.04 . 1 . . . . . 110 C H1' . 16485 2 202 . 2 2 23 23 DC H2' H 1 2.121 0.04 . 1 . . . . . 110 C H2' . 16485 2 203 . 2 2 23 23 DC H2'' H 1 2.409 0.04 . 1 . . . . . 110 C H2'' . 16485 2 204 . 2 2 23 23 DC H4' H 1 4.088 0.04 . 1 . . . . . 110 C H4' . 16485 2 205 . 2 2 23 23 DC H5 H 1 5.429 0.04 . 1 . . . . . 110 C H5 . 16485 2 206 . 2 2 23 23 DC H5' H 1 4.042 0.04 . 1 . . . . . 110 C H5' . 16485 2 207 . 2 2 23 23 DC H5'' H 1 4.006 0.04 . 1 . . . . . 110 C H5'' . 16485 2 208 . 2 2 23 23 DC H6 H 1 7.423 0.04 . 1 . . . . . 110 C H6 . 16485 2 209 . 2 2 23 23 DC H41 H 1 6.592 0.04 . 1 . . . . . 110 C H41 . 16485 2 210 . 2 2 23 23 DC H42 H 1 8.310 0.04 . 1 . . . . . 110 C H42 . 16485 2 211 . 2 2 24 24 DC H1' H 1 5.360 0.04 . 1 . . . . . 111 C H1' . 16485 2 212 . 2 2 24 24 DC H2' H 1 2.007 0.04 . 1 . . . . . 111 C H2' . 16485 2 213 . 2 2 24 24 DC H2'' H 1 2.306 0.04 . 1 . . . . . 111 C H2'' . 16485 2 214 . 2 2 24 24 DC H5 H 1 5.611 0.04 . 1 . . . . . 111 C H5 . 16485 2 215 . 2 2 24 24 DC H6 H 1 7.454 0.04 . 1 . . . . . 111 C H6 . 16485 2 216 . 2 2 24 24 DC H41 H 1 6.744 0.04 . 1 . . . . . 111 C H41 . 16485 2 217 . 2 2 24 24 DC H42 H 1 8.458 0.04 . 1 . . . . . 111 C H42 . 16485 2 218 . 2 2 25 25 DA H1' H 1 6.133 0.04 . 1 . . . . . 112 A H1' . 16485 2 219 . 2 2 25 25 DA H2 H 1 7.600 0.04 . 1 . . . . . 112 A H2 . 16485 2 220 . 2 2 25 25 DA H2' H 1 2.657 0.04 . 1 . . . . . 112 A H2' . 16485 2 221 . 2 2 25 25 DA H2'' H 1 2.829 0.04 . 1 . . . . . 112 A H2'' . 16485 2 222 . 2 2 25 25 DA H3' H 1 4.975 0.04 . 1 . . . . . 112 A H3' . 16485 2 223 . 2 2 25 25 DA H4' H 1 4.359 0.04 . 1 . . . . . 112 A H4' . 16485 2 224 . 2 2 25 25 DA H5' H 1 3.990 0.04 . 1 . . . . . 112 A H5' . 16485 2 225 . 2 2 25 25 DA H5'' H 1 4.081 0.04 . 1 . . . . . 112 A H5'' . 16485 2 226 . 2 2 25 25 DA H8 H 1 8.213 0.04 . 1 . . . . . 112 A H8 . 16485 2 227 . 2 2 26 26 DC H1' H 1 5.412 0.04 . 1 . . . . . 113 C H1' . 16485 2 228 . 2 2 26 26 DC H2' H 1 1.887 0.04 . 1 . . . . . 113 C H2' . 16485 2 229 . 2 2 26 26 DC H2'' H 1 2.268 0.04 . 1 . . . . . 113 C H2'' . 16485 2 230 . 2 2 26 26 DC H3' H 1 4.967 0.04 . 1 . . . . . 113 C H3' . 16485 2 231 . 2 2 26 26 DC H4' H 1 4.359 0.04 . 1 . . . . . 113 C H4' . 16485 2 232 . 2 2 26 26 DC H5 H 1 5.295 0.04 . 1 . . . . . 113 C H5 . 16485 2 233 . 2 2 26 26 DC H5' H 1 4.079 0.04 . 1 . . . . . 113 C H5' . 16485 2 234 . 2 2 26 26 DC H5'' H 1 4.182 0.04 . 1 . . . . . 113 C H5'' . 16485 2 235 . 2 2 26 26 DC H6 H 1 7.224 0.04 . 1 . . . . . 113 C H6 . 16485 2 236 . 2 2 26 26 DC H41 H 1 6.482 0.04 . 1 . . . . . 113 C H41 . 16485 2 237 . 2 2 26 26 DC H42 H 1 8.126 0.04 . 1 . . . . . 113 C H42 . 16485 2 238 . 2 2 27 27 DA H1' H 1 6.090 0.04 . 1 . . . . . 114 A H1' . 16485 2 239 . 2 2 27 27 DA H2 H 1 7.482 0.04 . 1 . . . . . 114 A H2 . 16485 2 240 . 2 2 27 27 DA H2' H 1 2.583 0.04 . 1 . . . . . 114 A H2' . 16485 2 241 . 2 2 27 27 DA H2'' H 1 2.808 0.04 . 1 . . . . . 114 A H2'' . 16485 2 242 . 2 2 27 27 DA H3' H 1 4.953 0.04 . 1 . . . . . 114 A H3' . 16485 2 243 . 2 2 27 27 DA H4' H 1 4.333 0.04 . 1 . . . . . 114 A H4' . 16485 2 244 . 2 2 27 27 DA H5' H 1 4.004 0.04 . 1 . . . . . 114 A H5' . 16485 2 245 . 2 2 27 27 DA H5'' H 1 4.090 0.04 . 1 . . . . . 114 A H5'' . 16485 2 246 . 2 2 27 27 DA H8 H 1 8.135 0.04 . 1 . . . . . 114 A H8 . 16485 2 247 . 2 2 28 28 DC H1' H 1 5.332 0.04 . 1 . . . . . 115 C H1' . 16485 2 248 . 2 2 28 28 DC H2' H 1 1.810 0.04 . 1 . . . . . 115 C H2' . 16485 2 249 . 2 2 28 28 DC H2'' H 1 2.178 0.04 . 1 . . . . . 115 C H2'' . 16485 2 250 . 2 2 28 28 DC H3' H 1 4.952 0.04 . 1 . . . . . 115 C H3' . 16485 2 251 . 2 2 28 28 DC H4' H 1 4.335 0.04 . 1 . . . . . 115 C H4' . 16485 2 252 . 2 2 28 28 DC H5 H 1 5.231 0.04 . 1 . . . . . 115 C H5 . 16485 2 253 . 2 2 28 28 DC H5' H 1 4.147 0.04 . 1 . . . . . 115 C H5' . 16485 2 254 . 2 2 28 28 DC H5'' H 1 4.057 0.04 . 1 . . . . . 115 C H5'' . 16485 2 255 . 2 2 28 28 DC H6 H 1 7.153 0.04 . 1 . . . . . 115 C H6 . 16485 2 256 . 2 2 28 28 DC H41 H 1 6.370 0.04 . 1 . . . . . 115 C H41 . 16485 2 257 . 2 2 28 28 DC H42 H 1 8.124 0.04 . 1 . . . . . 115 C H42 . 16485 2 258 . 2 2 29 29 DA H1' H 1 5.757 0.04 . 1 . . . . . 116 A H1' . 16485 2 259 . 2 2 29 29 DA H2 H 1 7.095 0.04 . 1 . . . . . 116 A H2 . 16485 2 260 . 2 2 29 29 DA H2' H 1 2.616 0.04 . 1 . . . . . 116 A H2' . 16485 2 261 . 2 2 29 29 DA H2'' H 1 2.811 0.04 . 1 . . . . . 116 A H2'' . 16485 2 262 . 2 2 29 29 DA H3' H 1 4.976 0.04 . 1 . . . . . 116 A H3' . 16485 2 263 . 2 2 29 29 DA H4' H 1 4.292 0.04 . 1 . . . . . 116 A H4' . 16485 2 264 . 2 2 29 29 DA H5' H 1 3.944 0.04 . 1 . . . . . 116 A H5' . 16485 2 265 . 2 2 29 29 DA H5'' H 1 4.036 0.04 . 1 . . . . . 116 A H5'' . 16485 2 266 . 2 2 29 29 DA H8 H 1 8.098 0.04 . 1 . . . . . 116 A H8 . 16485 2 267 . 2 2 30 30 DA H1' H 1 5.907 0.04 . 1 . . . . . 117 A H1' . 16485 2 268 . 2 2 30 30 DA H2 H 1 7.509 0.04 . 1 . . . . . 117 A H2 . 16485 2 269 . 2 2 30 30 DA H2' H 1 2.559 0.04 . 1 . . . . . 117 A H2' . 16485 2 270 . 2 2 30 30 DA H2'' H 1 2.754 0.04 . 1 . . . . . 117 A H2'' . 16485 2 271 . 2 2 30 30 DA H3' H 1 4.985 0.04 . 1 . . . . . 117 A H3' . 16485 2 272 . 2 2 30 30 DA H4' H 1 4.336 0.04 . 1 . . . . . 117 A H4' . 16485 2 273 . 2 2 30 30 DA H5' H 1 4.290 0.04 . 1 . . . . . 117 A H5' . 16485 2 274 . 2 2 30 30 DA H5'' H 1 4.151 0.04 . 1 . . . . . 117 A H5'' . 16485 2 275 . 2 2 30 30 DA H8 H 1 8.008 0.04 . 1 . . . . . 117 A H8 . 16485 2 276 . 2 2 31 31 DG H1 H 1 12.888 0.04 . 1 . . . . . 118 G H1 . 16485 2 277 . 2 2 31 31 DG H1' H 1 5.742 0.04 . 1 . . . . . 118 G H1' . 16485 2 278 . 2 2 31 31 DG H2' H 1 2.373 0.04 . 1 . . . . . 118 G H2' . 16485 2 279 . 2 2 31 31 DG H2'' H 1 2.564 0.04 . 1 . . . . . 118 G H2'' . 16485 2 280 . 2 2 31 31 DG H3' H 1 4.857 0.04 . 1 . . . . . 118 G H3' . 16485 2 281 . 2 2 31 31 DG H4' H 1 4.282 0.04 . 1 . . . . . 118 G H4' . 16485 2 282 . 2 2 31 31 DG H5' H 1 4.130 0.04 . 1 . . . . . 118 G H5' . 16485 2 283 . 2 2 31 31 DG H5'' H 1 4.167 0.04 . 1 . . . . . 118 G H5'' . 16485 2 284 . 2 2 31 31 DG H8 H 1 7.537 0.04 . 1 . . . . . 118 G H8 . 16485 2 285 . 2 2 32 32 DC H1' H 1 6.094 0.04 . 1 . . . . . 119 C H1' . 16485 2 286 . 2 2 32 32 DC H2' H 1 2.083 0.04 . 1 . . . . . 119 C H2' . 16485 2 287 . 2 2 32 32 DC H2'' H 1 2.152 0.04 . 1 . . . . . 119 C H2'' . 16485 2 288 . 2 2 32 32 DC H3' H 1 4.422 0.04 . 1 . . . . . 119 C H3' . 16485 2 289 . 2 2 32 32 DC H4' H 1 4.286 0.04 . 1 . . . . . 119 C H4' . 16485 2 290 . 2 2 32 32 DC H5 H 1 5.290 0.04 . 1 . . . . . 119 C H5 . 16485 2 291 . 2 2 32 32 DC H5' H 1 4.001 0.04 . 1 . . . . . 119 C H5' . 16485 2 292 . 2 2 32 32 DC H5'' H 1 3.998 0.04 . 1 . . . . . 119 C H5'' . 16485 2 293 . 2 2 32 32 DC H6 H 1 7.348 0.04 . 1 . . . . . 119 C H6 . 16485 2 294 . 2 2 32 32 DC H41 H 1 6.529 0.04 . 1 . . . . . 119 C H41 . 16485 2 295 . 2 2 32 32 DC H42 H 1 8.083 0.04 . 1 . . . . . 119 C H42 . 16485 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_DHNN _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_DHNN _RDC_list.Entry_ID 16485 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _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 'measured in medium containing bacteriophage Pf1 at 15 mg/ml' _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 11 '2D IPAP 15N HSQC' . . . 16485 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRView . . 16485 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 DHN . 1 1 3 3 GLN N N 15 . . 1 1 3 3 GLN H H 1 . -3.832 . . 1.500 . . . 1 3 GLN N 1 3 GLN HN 16485 1 2 DHN . 1 1 4 4 SER N N 15 . . 1 1 4 4 SER H H 1 . -5.477 . . 1.500 . . . 1 4 SER N 1 4 SER HN 16485 1 3 DHN . 1 1 5 5 CYS N N 15 . . 1 1 5 5 CYS H H 1 . 4.344 . . 1.500 . . . 1 5 CYS N 1 5 CYS HN 16485 1 4 DHN . 1 1 7 7 ALA N N 15 . . 1 1 7 7 ALA H H 1 . -23.99 . . 1.500 . . . 1 7 ALA N 1 7 ALA HN 16485 1 5 DHN . 1 1 8 8 TYR N N 15 . . 1 1 8 8 TYR H H 1 . -8.473 . . 1.500 . . . 1 8 TYR N 1 8 TYR HN 16485 1 6 DHN . 1 1 9 9 GLY N N 15 . . 1 1 9 9 GLY H H 1 . 1.986 . . 1.500 . . . 1 9 GLY N 1 9 GLY HN 16485 1 7 DHN . 1 1 10 10 CYS N N 15 . . 1 1 10 10 CYS H H 1 . -10.355 . . 1.500 . . . 1 10 CYS N 1 10 CYS HN 16485 1 8 DHN . 1 1 12 12 ASN N N 15 . . 1 1 12 12 ASN H H 1 . -15.273 . . 1.500 . . . 1 12 ASN N 1 12 ASN HN 16485 1 9 DHN . 1 1 15 15 ASP N N 15 . . 1 1 15 15 ASP H H 1 . 3.286 . . 1.500 . . . 1 15 ASP N 1 15 ASP HN 16485 1 10 DHN . 1 1 16 16 LYS N N 15 . . 1 1 16 16 LYS H H 1 . 4.537 . . 1.500 . . . 1 16 LYS N 1 16 LYS HN 16485 1 11 DHN . 1 1 17 17 ASP N N 15 . . 1 1 17 17 ASP H H 1 . 17.594 . . 1.500 . . . 1 17 ASP N 1 17 ASP HN 16485 1 12 DHN . 1 1 18 18 LYS N N 15 . . 1 1 18 18 LYS H H 1 . -3.428 . . 1.500 . . . 1 18 LYS N 1 18 LYS HN 16485 1 13 DHN . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -8.205 . . 1.500 . . . 1 20 VAL N 1 20 VAL HN 16485 1 14 DHN . 1 1 21 21 SER N N 15 . . 1 1 21 21 SER H H 1 . -10.857 . . 1.500 . . . 1 21 SER N 1 21 SER HN 16485 1 15 DHN . 1 1 27 27 LEU N N 15 . . 1 1 27 27 LEU H H 1 . -28.897 . . 1.500 . . . 1 27 LEU N 1 27 LEU HN 16485 1 16 DHN . 1 1 28 28 THR N N 15 . . 1 1 28 28 THR H H 1 . -25.158 . . 1.500 . . . 1 28 THR N 1 28 THR HN 16485 1 17 DHN . 1 1 29 29 ARG N N 15 . . 1 1 29 29 ARG H H 1 . 14.901 . . 1.500 . . . 1 29 ARG N 1 29 ARG HN 16485 1 18 DHN . 1 1 32 32 LEU N N 15 . . 1 1 32 32 LEU H H 1 . 16.008 . . 1.500 . . . 1 32 LEU N 1 32 LEU HN 16485 1 19 DHN . 1 1 33 33 CYS N N 15 . . 1 1 33 33 CYS H H 1 . 11.434 . . 1.500 . . . 1 33 CYS N 1 33 CYS HN 16485 1 20 DHN . 1 1 34 34 LYS N N 15 . . 1 1 34 34 LYS H H 1 . 24.733 . . 1.500 . . . 1 34 LYS N 1 34 LYS HN 16485 1 21 DHN . 1 1 35 35 GLU N N 15 . . 1 1 35 35 GLU H H 1 . 24.717 . . 1.500 . . . 1 35 GLU N 1 35 GLU HN 16485 1 22 DHN . 1 1 36 36 TRP N N 15 . . 1 1 36 36 TRP H H 1 . 24.042 . . 1.500 . . . 1 36 TRP N 1 36 TRP HN 16485 1 23 DHN . 1 1 37 37 GLU N N 15 . . 1 1 37 37 GLU H H 1 . 23.677 . . 1.500 . . . 1 37 GLU N 1 37 GLU HN 16485 1 24 DHN . 1 1 38 38 ALA N N 15 . . 1 1 38 38 ALA H H 1 . 30.442 . . 1.500 . . . 1 38 ALA N 1 38 ALA HN 16485 1 25 DHN . 1 1 39 39 ALA N N 15 . . 1 1 39 39 ALA H H 1 . 21.588 . . 1.500 . . . 1 39 ALA N 1 39 ALA HN 16485 1 26 DHN . 1 1 40 40 VAL N N 15 . . 1 1 40 40 VAL H H 1 . 8.813 . . 1.500 . . . 1 40 VAL N 1 40 VAL HN 16485 1 27 DHN . 1 1 41 41 ARG N N 15 . . 1 1 41 41 ARG H H 1 . 11.36 . . 1.500 . . . 1 41 ARG N 1 41 ARG HN 16485 1 28 DHN . 1 1 42 42 ARG N N 15 . . 1 1 42 42 ARG H H 1 . 24.176 . . 1.500 . . . 1 42 ARG N 1 42 ARG HN 16485 1 29 DHN . 1 1 43 43 LYS N N 15 . . 1 1 43 43 LYS H H 1 . 15.585 . . 1.500 . . . 1 43 LYS N 1 43 LYS HN 16485 1 30 DHN . 1 1 44 44 ASN N N 15 . . 1 1 44 44 ASN H H 1 . -7.369 . . 1.500 . . . 1 44 ASN N 1 44 ASN HN 16485 1 31 DHN . 1 1 45 45 PHE N N 15 . . 1 1 45 45 PHE H H 1 . -3.898 . . 1.500 . . . 1 45 PHE N 1 45 PHE HN 16485 1 32 DHN . 1 1 46 46 LYS N N 15 . . 1 1 46 46 LYS H H 1 . 1.435 . . 1.500 . . . 1 46 LYS N 1 46 LYS HN 16485 1 33 DHN . 1 1 48 48 THR N N 15 . . 1 1 48 48 THR H H 1 . -5.738 . . 1.500 . . . 1 48 THR N 1 48 THR HN 16485 1 34 DHN . 1 1 49 49 LYS N N 15 . . 1 1 49 49 LYS H H 1 . -8.069 . . 1.500 . . . 1 49 LYS N 1 49 LYS HN 16485 1 35 DHN . 1 1 50 50 TYR N N 15 . . 1 1 50 50 TYR H H 1 . -7.396 . . 1.500 . . . 1 50 TYR N 1 50 TYR HN 16485 1 36 DHN . 1 1 51 51 SER N N 15 . . 1 1 51 51 SER H H 1 . -12.692 . . 1.500 . . . 1 51 SER N 1 51 SER HN 16485 1 37 DHN . 1 1 52 52 SER N N 15 . . 1 1 52 52 SER H H 1 . 29.734 . . 1.500 . . . 1 52 SER N 1 52 SER HN 16485 1 38 DHN . 1 1 53 53 ILE N N 15 . . 1 1 53 53 ILE H H 1 . 25.433 . . 1.500 . . . 1 53 ILE N 1 53 ILE HN 16485 1 39 DHN . 1 1 54 54 CYS N N 15 . . 1 1 54 54 CYS H H 1 . 25.77 . . 1.500 . . . 1 54 CYS N 1 54 CYS HN 16485 1 40 DHN . 1 1 55 55 SER N N 15 . . 1 1 55 55 SER H H 1 . -22.355 . . 1.500 . . . 1 55 SER N 1 55 SER HN 16485 1 41 DHN . 1 1 56 56 GLU N N 15 . . 1 1 56 56 GLU H H 1 . 5.38 . . 1.500 . . . 1 56 GLU N 1 56 GLU HN 16485 1 42 DHN . 1 1 59 59 THR N N 15 . . 1 1 59 59 THR H H 1 . -22.223 . . 1.500 . . . 1 59 THR N 1 59 THR HN 16485 1 43 DHN . 1 1 61 61 ASP N N 15 . . 1 1 61 61 ASP H H 1 . 7.257 . . 1.500 . . . 1 61 ASP N 1 61 ASP HN 16485 1 44 DHN . 1 1 63 63 PHE N N 15 . . 1 1 63 63 PHE H H 1 . 0.596 . . 1.500 . . . 1 63 PHE N 1 63 PHE HN 16485 1 45 DHN . 1 1 64 64 LYS N N 15 . . 1 1 64 64 LYS H H 1 . 1.238 . . 1.500 . . . 1 64 LYS N 1 64 LYS HN 16485 1 46 DHN . 1 1 67 67 SER N N 15 . . 1 1 67 67 SER H H 1 . 3.245 . . 1.500 . . . 1 67 SER N 1 67 SER HN 16485 1 47 DHN . 1 1 68 68 ASN N N 15 . . 1 1 68 68 ASN H H 1 . 3.909 . . 1.500 . . . 1 68 ASN N 1 68 ASN HN 16485 1 48 DHN . 1 1 69 69 ASN N N 15 . . 1 1 69 69 ASN H H 1 . 15.043 . . 1.500 . . . 1 69 ASN N 1 69 ASN HN 16485 1 49 DHN . 1 1 72 72 LEU N N 15 . . 1 1 72 72 LEU H H 1 . -6.353 . . 1.500 . . . 1 72 LEU N 1 72 LEU HN 16485 1 50 DHN . 1 1 74 74 GLU N N 15 . . 1 1 74 74 GLU H H 1 . 22.93 . . 1.500 . . . 1 74 GLU N 1 74 GLU HN 16485 1 51 DHN . 1 1 76 76 ALA N N 15 . . 1 1 76 76 ALA H H 1 . 0.89 . . 1.500 . . . 1 76 ALA N 1 76 ALA HN 16485 1 52 DHN . 1 1 77 77 VAL N N 15 . . 1 1 77 77 VAL H H 1 . -1.098 . . 1.500 . . . 1 77 VAL N 1 77 VAL HN 16485 1 53 DHN . 1 1 79 79 THR N N 15 . . 1 1 79 79 THR H H 1 . -18.573 . . 1.500 . . . 1 79 THR N 1 79 THR HN 16485 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe _Heteronucl_NOE_list.Entry_ID 16485 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 14 '2D 15N HSQC Heteronuclear NOE' . . . 16485 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $NMRView . . 16485 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLN N N 15 . 1 1 3 3 GLN H H 1 0.604 0.090 . . 1 3 GLN N 1 3 GLN H 16485 1 2 . 1 1 4 4 SER N N 15 . 1 1 4 4 SER H H 1 0.837 0.086 . . 1 4 SER N 1 4 SER H 16485 1 3 . 1 1 5 5 CYS N N 15 . 1 1 5 5 CYS H H 1 0.721 0.088 . . 1 5 CYS N 1 5 CYS H 16485 1 4 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.794 0.089 . . 1 6 SER N 1 6 SER H 16485 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.842 0.083 . . 1 7 ALA N 1 7 ALA H 16485 1 6 . 1 1 8 8 TYR N N 15 . 1 1 8 8 TYR H H 1 0.880 0.013 . . 1 8 TYR N 1 8 TYR H 16485 1 7 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.702 0.084 . . 1 9 GLY N 1 9 GLY H 16485 1 8 . 1 1 10 10 CYS N N 15 . 1 1 10 10 CYS H H 1 0.711 0.085 . . 1 10 CYS N 1 10 CYS H 16485 1 9 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 0.789 0.084 . . 1 12 ASN N 1 12 ASN H 16485 1 10 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.796 0.084 . . 1 13 ARG N 1 13 ARG H 16485 1 11 . 1 1 14 14 TYR N N 15 . 1 1 14 14 TYR H H 1 0.824 0.085 . . 1 14 TYR N 1 14 TYR H 16485 1 12 . 1 1 15 15 ASP N N 15 . 1 1 15 15 ASP H H 1 0.812 0.083 . . 1 15 ASP N 1 15 ASP H 16485 1 13 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.760 0.084 . . 1 16 LYS N 1 16 LYS H 16485 1 14 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.763 0.082 . . 1 17 ASP N 1 17 ASP H 16485 1 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.770 0.082 . . 1 18 LYS N 1 18 LYS H 16485 1 16 . 1 1 20 20 VAL N N 15 . 1 1 20 20 VAL H H 1 0.637 0.082 . . 1 20 VAL N 1 20 VAL H 16485 1 17 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.842 0.086 . . 1 21 SER N 1 21 SER H 16485 1 18 . 1 1 22 22 PHE N N 15 . 1 1 22 22 PHE H H 1 0.783 0.086 . . 1 22 PHE N 1 22 PHE H 16485 1 19 . 1 1 23 23 HIS N N 15 . 1 1 23 23 HIS H H 1 0.810 0.012 . . 1 23 HIS N 1 23 HIS H 16485 1 20 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.815 0.088 . . 1 24 LYS N 1 24 LYS H 16485 1 21 . 1 1 25 25 PHE N N 15 . 1 1 25 25 PHE H H 1 0.764 0.086 . . 1 25 PHE N 1 25 PHE H 16485 1 22 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.797 0.083 . . 1 27 LEU N 1 27 LEU H 16485 1 23 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.780 0.082 . . 1 28 THR N 1 28 THR H 16485 1 24 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.756 0.082 . . 1 29 ARG N 1 29 ARG H 16485 1 25 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.737 0.014 . . 1 31 SER N 1 31 SER H 16485 1 26 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.753 0.083 . . 1 32 LEU N 1 32 LEU H 16485 1 27 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.820 0.084 . . 1 33 CYS N 1 33 CYS H 16485 1 28 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.791 0.083 . . 1 34 LYS N 1 34 LYS H 16485 1 29 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.792 0.084 . . 1 35 GLU N 1 35 GLU H 16485 1 30 . 1 1 36 36 TRP N N 15 . 1 1 36 36 TRP H H 1 0.816 0.085 . . 1 36 TRP N 1 36 TRP H 16485 1 31 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.777 0.085 . . 1 37 GLU N 1 37 GLU H 16485 1 32 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.793 0.085 . . 1 38 ALA N 1 38 ALA H 16485 1 33 . 1 1 39 39 ALA N N 15 . 1 1 39 39 ALA H H 1 0.822 0.083 . . 1 39 ALA N 1 39 ALA H 16485 1 34 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.777 0.087 . . 1 40 VAL N 1 40 VAL H 16485 1 35 . 1 1 41 41 ARG N N 15 . 1 1 41 41 ARG H H 1 0.775 0.088 . . 1 41 ARG N 1 41 ARG H 16485 1 36 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.616 0.086 . . 1 42 ARG N 1 42 ARG H 16485 1 37 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.570 0.086 . . 1 43 LYS N 1 43 LYS H 16485 1 38 . 1 1 44 44 ASN N N 15 . 1 1 44 44 ASN H H 1 0.612 0.090 . . 1 44 ASN N 1 44 ASN H 16485 1 39 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.565 0.082 . . 1 45 PHE N 1 45 PHE H 16485 1 40 . 1 1 46 46 LYS N N 15 . 1 1 46 46 LYS H H 1 0.620 0.084 . . 1 46 LYS N 1 46 LYS H 16485 1 41 . 1 1 48 48 THR N N 15 . 1 1 48 48 THR H H 1 0.811 0.086 . . 1 48 THR N 1 48 THR H 16485 1 42 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.790 0.084 . . 1 49 LYS N 1 49 LYS H 16485 1 43 . 1 1 50 50 TYR N N 15 . 1 1 50 50 TYR H H 1 0.758 0.083 . . 1 50 TYR N 1 50 TYR H 16485 1 44 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.782 0.083 . . 1 51 SER N 1 51 SER H 16485 1 45 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 0.786 0.090 . . 1 52 SER N 1 52 SER H 16485 1 46 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.846 0.088 . . 1 53 ILE N 1 53 ILE H 16485 1 47 . 1 1 54 54 CYS N N 15 . 1 1 54 54 CYS H H 1 0.851 0.087 . . 1 54 CYS N 1 54 CYS H 16485 1 48 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.826 0.085 . . 1 55 SER N 1 55 SER H 16485 1 49 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.893 0.084 . . 1 56 GLU N 1 56 GLU H 16485 1 50 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.841 0.083 . . 1 58 PHE N 1 58 PHE H 16485 1 51 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.772 0.083 . . 1 59 THR N 1 59 THR H 16485 1 52 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.771 0.082 . . 1 61 ASP N 1 61 ASP H 16485 1 53 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.796 0.083 . . 1 62 SER N 1 62 SER H 16485 1 54 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.816 0.082 . . 1 63 PHE N 1 63 PHE H 16485 1 55 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.761 0.086 . . 1 64 LYS N 1 64 LYS H 16485 1 56 . 1 1 65 65 ARG N N 15 . 1 1 65 65 ARG H H 1 0.620 0.012 . . 1 65 ARG N 1 65 ARG H 16485 1 57 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.577 0.085 . . 1 66 GLU N 1 66 GLU H 16485 1 58 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.376 0.084 . . 1 67 SER N 1 67 SER H 16485 1 59 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.547 0.026 . . 1 68 ASN N 1 68 ASN H 16485 1 60 . 1 1 69 69 ASN N N 15 . 1 1 69 69 ASN H H 1 0.546 0.087 . . 1 69 ASN N 1 69 ASN H 16485 1 61 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.777 0.086 . . 1 72 LEU N 1 72 LEU H 16485 1 62 . 1 1 73 73 LYS N N 15 . 1 1 73 73 LYS H H 1 0.786 0.083 . . 1 73 LYS N 1 73 LYS H 16485 1 63 . 1 1 74 74 GLU N N 15 . 1 1 74 74 GLU H H 1 0.801 0.083 . . 1 74 GLU N 1 74 GLU H 16485 1 64 . 1 1 75 75 ASN N N 15 . 1 1 75 75 ASN H H 1 0.783 0.086 . . 1 75 ASN N 1 75 ASN H 16485 1 65 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.794 0.082 . . 1 76 ALA N 1 76 ALA H 16485 1 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.746 0.085 . . 1 77 VAL N 1 77 VAL H 16485 1 67 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.744 0.015 . . 1 79 THR N 1 79 THR H 16485 1 68 . 1 1 80 80 ILE N N 15 . 1 1 80 80 ILE H H 1 0.934 0.017 . . 1 80 ILE N 1 80 ILE H 16485 1 69 . 1 1 81 81 PHE N N 15 . 1 1 81 81 PHE H H 1 0.773 0.014 . . 1 81 PHE N 1 81 PHE H 16485 1 70 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 0.480 0.084 . . 1 83 GLU N 1 83 GLU H 16485 1 71 . 1 1 84 84 LEU N N 15 . 1 1 84 84 LEU H H 1 0.286 0.081 . . 1 84 LEU N 1 84 LEU H 16485 1 72 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.038 0.081 . . 1 85 VAL N 1 85 VAL H 16485 1 73 . 1 1 87 87 ARG N N 15 . 1 1 87 87 ARG H H 1 -0.404 0.000 . . 1 87 ARG N 1 87 ARG H 16485 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_R1_15N _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode R1_15N _Heteronucl_T1_list.Entry_ID 16485 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 12 '2D 15N HSQC T1' . . . 16485 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $NMRView . . 16485 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLN N N 15 1.231 0.115 . 1 3 GLN N 16485 1 2 . 1 1 4 4 SER N N 15 1.915 0.089 . 1 4 SER N 16485 1 3 . 1 1 5 5 CYS N N 15 1.900 0.086 . 1 5 CYS N 16485 1 4 . 1 1 6 6 SER N N 15 1.449 0.058 . 1 6 SER N 16485 1 5 . 1 1 7 7 ALA N N 15 1.620 0.045 . 1 7 ALA N 16485 1 6 . 1 1 8 8 TYR N N 15 1.585 0.100 . 1 8 TYR N 16485 1 7 . 1 1 9 9 GLY N N 15 1.579 0.050 . 1 9 GLY N 16485 1 8 . 1 1 10 10 CYS N N 15 1.554 0.042 . 1 10 CYS N 16485 1 9 . 1 1 12 12 ASN N N 15 1.566 0.053 . 1 12 ASN N 16485 1 10 . 1 1 13 13 ARG N N 15 1.585 0.042 . 1 13 ARG N 16485 1 11 . 1 1 14 14 TYR N N 15 1.833 0.115 . 1 14 TYR N 16485 1 12 . 1 1 15 15 ASP N N 15 1.723 0.053 . 1 15 ASP N 16485 1 13 . 1 1 16 16 LYS N N 15 1.430 0.031 . 1 16 LYS N 16485 1 14 . 1 1 17 17 ASP N N 15 1.392 0.039 . 1 17 ASP N 16485 1 15 . 1 1 18 18 LYS N N 15 1.403 0.040 . 1 18 LYS N 16485 1 16 . 1 1 20 20 VAL N N 15 1.206 0.097 . 1 20 VAL N 16485 1 17 . 1 1 21 21 SER N N 15 1.860 0.133 . 1 21 SER N 16485 1 18 . 1 1 22 22 PHE N N 15 1.625 0.081 . 1 22 PHE N 16485 1 19 . 1 1 23 23 HIS N N 15 1.648 0.138 . 1 23 HIS N 16485 1 20 . 1 1 24 24 LYS N N 15 1.734 0.101 . 1 24 LYS N 16485 1 21 . 1 1 25 25 PHE N N 15 1.815 0.172 . 1 25 PHE N 16485 1 22 . 1 1 27 27 LEU N N 15 1.504 0.037 . 1 27 LEU N 16485 1 23 . 1 1 28 28 THR N N 15 1.563 0.043 . 1 28 THR N 16485 1 24 . 1 1 29 29 ARG N N 15 1.418 0.039 . 1 29 ARG N 16485 1 25 . 1 1 31 31 SER N N 15 2.388 0.603 . 1 31 SER N 16485 1 26 . 1 1 32 32 LEU N N 15 1.479 0.035 . 1 32 LEU N 16485 1 27 . 1 1 33 33 CYS N N 15 1.523 0.043 . 1 33 CYS N 16485 1 28 . 1 1 34 34 LYS N N 15 1.421 0.052 . 1 34 LYS N 16485 1 29 . 1 1 35 35 GLU N N 15 1.364 0.041 . 1 35 GLU N 16485 1 30 . 1 1 36 36 TRP N N 15 1.524 0.057 . 1 36 TRP N 16485 1 31 . 1 1 37 37 GLU N N 15 1.422 0.034 . 1 37 GLU N 16485 1 32 . 1 1 38 38 ALA N N 15 1.349 0.033 . 1 38 ALA N 16485 1 33 . 1 1 39 39 ALA N N 15 1.393 0.044 . 1 39 ALA N 16485 1 34 . 1 1 40 40 VAL N N 15 1.530 0.057 . 1 40 VAL N 16485 1 35 . 1 1 41 41 ARG N N 15 1.559 0.073 . 1 41 ARG N 16485 1 36 . 1 1 42 42 ARG N N 15 1.237 0.087 . 1 42 ARG N 16485 1 37 . 1 1 43 43 LYS N N 15 1.640 0.197 . 1 43 LYS N 16485 1 38 . 1 1 44 44 ASN N N 15 1.469 0.122 . 1 44 ASN N 16485 1 39 . 1 1 45 45 PHE N N 15 1.244 0.070 . 1 45 PHE N 16485 1 40 . 1 1 46 46 LYS N N 15 1.240 0.069 . 1 46 LYS N 16485 1 41 . 1 1 48 48 THR N N 15 1.570 0.045 . 1 48 THR N 16485 1 42 . 1 1 49 49 LYS N N 15 1.717 0.053 . 1 49 LYS N 16485 1 43 . 1 1 50 50 TYR N N 15 1.724 0.068 . 1 50 TYR N 16485 1 44 . 1 1 51 51 SER N N 15 1.634 0.041 . 1 51 SER N 16485 1 45 . 1 1 52 52 SER N N 15 1.545 0.083 . 1 52 SER N 16485 1 46 . 1 1 53 53 ILE N N 15 1.446 0.071 . 1 53 ILE N 16485 1 47 . 1 1 54 54 CYS N N 15 1.405 0.049 . 1 54 CYS N 16485 1 48 . 1 1 55 55 SER N N 15 1.717 0.085 . 1 55 SER N 16485 1 49 . 1 1 56 56 GLU N N 15 1.715 0.056 . 1 56 GLU N 16485 1 50 . 1 1 58 58 PHE N N 15 1.637 0.050 . 1 58 PHE N 16485 1 51 . 1 1 59 59 THR N N 15 1.646 0.047 . 1 59 THR N 16485 1 52 . 1 1 61 61 ASP N N 15 1.662 0.058 . 1 61 ASP N 16485 1 53 . 1 1 62 62 SER N N 15 1.582 0.073 . 1 62 SER N 16485 1 54 . 1 1 63 63 PHE N N 15 1.790 0.073 . 1 63 PHE N 16485 1 55 . 1 1 64 64 LYS N N 15 1.490 0.058 . 1 64 LYS N 16485 1 56 . 1 1 65 65 ARG N N 15 1.588 0.079 . 1 65 ARG N 16485 1 57 . 1 1 66 66 GLU N N 15 1.541 0.071 . 1 66 GLU N 16485 1 58 . 1 1 67 67 SER N N 15 1.227 0.086 . 1 67 SER N 16485 1 59 . 1 1 68 68 ASN N N 15 1.446 0.312 . 1 68 ASN N 16485 1 60 . 1 1 69 69 ASN N N 15 1.381 0.083 . 1 69 ASN N 16485 1 61 . 1 1 72 72 LEU N N 15 1.616 0.054 . 1 72 LEU N 16485 1 62 . 1 1 73 73 LYS N N 15 1.517 0.040 . 1 73 LYS N 16485 1 63 . 1 1 74 74 GLU N N 15 1.393 0.048 . 1 74 GLU N 16485 1 64 . 1 1 75 75 ASN N N 15 1.511 0.050 . 1 75 ASN N 16485 1 65 . 1 1 76 76 ALA N N 15 1.434 0.046 . 1 76 ALA N 16485 1 66 . 1 1 77 77 VAL N N 15 1.375 0.057 . 1 77 VAL N 16485 1 67 . 1 1 79 79 THR N N 15 1.612 0.090 . 1 79 THR N 16485 1 68 . 1 1 80 80 ILE N N 15 1.467 0.192 . 1 80 ILE N 16485 1 69 . 1 1 81 81 PHE N N 15 1.774 0.295 . 1 81 PHE N 16485 1 70 . 1 1 83 83 GLU N N 15 1.712 0.046 . 1 83 GLU N 16485 1 71 . 1 1 84 84 LEU N N 15 1.745 0.059 . 1 84 LEU N 16485 1 72 . 1 1 85 85 VAL N N 15 1.505 0.066 . 1 85 VAL N 16485 1 73 . 1 1 87 87 ARG N N 15 1.094 0.100 . 1 87 ARG N 16485 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_R2_15N _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode R2_15N _Heteronucl_T2_list.Entry_ID 16485 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 13 '2D 15N HSQC T2' . . . 16485 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $NMRView . . 16485 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLN N N 15 13.640 2.569 . . . 1 3 GLN N 16485 1 2 . 1 1 4 4 SER N N 15 21.692 3.101 . . . 1 4 SER N 16485 1 3 . 1 1 5 5 CYS N N 15 20.448 3.270 . . . 1 5 CYS N 16485 1 4 . 1 1 6 6 SER N N 15 21.696 3.419 . . . 1 6 SER N 16485 1 5 . 1 1 7 7 ALA N N 15 18.209 2.890 . . . 1 7 ALA N 16485 1 6 . 1 1 8 8 TYR N N 15 19.351 3.436 . . . 1 8 TYR N 16485 1 7 . 1 1 9 9 GLY N N 15 16.548 2.486 . . . 1 9 GLY N 16485 1 8 . 1 1 10 10 CYS N N 15 16.736 2.400 . . . 1 10 CYS N 16485 1 9 . 1 1 12 12 ASN N N 15 19.454 3.132 . . . 1 12 ASN N 16485 1 10 . 1 1 13 13 ARG N N 15 21.057 3.514 . . . 1 13 ARG N 16485 1 11 . 1 1 14 14 TYR N N 15 17.578 2.868 . . . 1 14 TYR N 16485 1 12 . 1 1 15 15 ASP N N 15 17.963 2.974 . . . 1 15 ASP N 16485 1 13 . 1 1 16 16 LYS N N 15 18.931 3.004 . . . 1 16 LYS N 16485 1 14 . 1 1 17 17 ASP N N 15 18.757 2.626 . . . 1 17 ASP N 16485 1 15 . 1 1 18 18 LYS N N 15 15.332 1.924 . . . 1 18 LYS N 16485 1 16 . 1 1 20 20 VAL N N 15 13.568 1.973 . . . 1 20 VAL N 16485 1 17 . 1 1 21 21 SER N N 15 23.568 4.473 . . . 1 21 SER N 16485 1 18 . 1 1 22 22 PHE N N 15 19.882 2.993 . . . 1 22 PHE N 16485 1 19 . 1 1 23 23 HIS N N 15 27.706 7.254 . . . 1 23 HIS N 16485 1 20 . 1 1 24 24 LYS N N 15 21.120 3.950 . . . 1 24 LYS N 16485 1 21 . 1 1 25 25 PHE N N 15 18.008 3.026 . . . 1 25 PHE N 16485 1 22 . 1 1 27 27 LEU N N 15 17.511 2.462 . . . 1 27 LEU N 16485 1 23 . 1 1 28 28 THR N N 15 14.523 2.048 . . . 1 28 THR N 16485 1 24 . 1 1 29 29 ARG N N 15 18.212 3.087 . . . 1 29 ARG N 16485 1 25 . 1 1 31 31 SER N N 15 21.107 3.173 . . . 1 31 SER N 16485 1 26 . 1 1 32 32 LEU N N 15 17.015 2.336 . . . 1 32 LEU N 16485 1 27 . 1 1 33 33 CYS N N 15 18.844 3.326 . . . 1 33 CYS N 16485 1 28 . 1 1 34 34 LYS N N 15 19.262 3.481 . . . 1 34 LYS N 16485 1 29 . 1 1 35 35 GLU N N 15 19.612 3.505 . . . 1 35 GLU N 16485 1 30 . 1 1 36 36 TRP N N 15 18.597 2.885 . . . 1 36 TRP N 16485 1 31 . 1 1 37 37 GLU N N 15 19.563 3.093 . . . 1 37 GLU N 16485 1 32 . 1 1 38 38 ALA N N 15 19.440 2.778 . . . 1 38 ALA N 16485 1 33 . 1 1 39 39 ALA N N 15 19.588 3.550 . . . 1 39 ALA N 16485 1 34 . 1 1 40 40 VAL N N 15 22.835 4.654 . . . 1 40 VAL N 16485 1 35 . 1 1 41 41 ARG N N 15 26.069 4.886 . . . 1 41 ARG N 16485 1 36 . 1 1 42 42 ARG N N 15 17.531 2.292 . . . 1 42 ARG N 16485 1 37 . 1 1 43 43 LYS N N 15 16.765 2.988 . . . 1 43 LYS N 16485 1 38 . 1 1 44 44 ASN N N 15 16.583 2.142 . . . 1 44 ASN N 16485 1 39 . 1 1 45 45 PHE N N 15 13.907 2.170 . . . 1 45 PHE N 16485 1 40 . 1 1 46 46 LYS N N 15 15.603 1.911 . . . 1 46 LYS N 16485 1 41 . 1 1 48 48 THR N N 15 15.293 2.217 . . . 1 48 THR N 16485 1 42 . 1 1 49 49 LYS N N 15 16.917 2.318 . . . 1 49 LYS N 16485 1 43 . 1 1 50 50 TYR N N 15 18.006 2.539 . . . 1 50 TYR N 16485 1 44 . 1 1 51 51 SER N N 15 17.074 2.554 . . . 1 51 SER N 16485 1 45 . 1 1 52 52 SER N N 15 19.771 2.704 . . . 1 52 SER N 16485 1 46 . 1 1 53 53 ILE N N 15 18.598 2.713 . . . 1 53 ILE N 16485 1 47 . 1 1 54 54 CYS N N 15 17.154 2.795 . . . 1 54 CYS N 16485 1 48 . 1 1 55 55 SER N N 15 17.923 2.509 . . . 1 55 SER N 16485 1 49 . 1 1 56 56 GLU N N 15 23.274 4.354 . . . 1 56 GLU N 16485 1 50 . 1 1 58 58 PHE N N 15 18.828 2.432 . . . 1 58 PHE N 16485 1 51 . 1 1 59 59 THR N N 15 16.075 2.077 . . . 1 59 THR N 16485 1 52 . 1 1 61 61 ASP N N 15 17.957 3.140 . . . 1 61 ASP N 16485 1 53 . 1 1 62 62 SER N N 15 17.805 2.775 . . . 1 62 SER N 16485 1 54 . 1 1 63 63 PHE N N 15 17.857 2.819 . . . 1 63 PHE N 16485 1 55 . 1 1 64 64 LYS N N 15 18.146 2.866 . . . 1 64 LYS N 16485 1 56 . 1 1 65 65 ARG N N 15 32.472 8.066 . . . 1 65 ARG N 16485 1 57 . 1 1 66 66 GLU N N 15 18.719 3.268 . . . 1 66 GLU N 16485 1 58 . 1 1 67 67 SER N N 15 13.161 1.598 . . . 1 67 SER N 16485 1 59 . 1 1 68 68 ASN N N 15 24.832 5.505 . . . 1 68 ASN N 16485 1 60 . 1 1 69 69 ASN N N 15 30.962 7.886 . . . 1 69 ASN N 16485 1 61 . 1 1 72 72 LEU N N 15 17.047 2.521 . . . 1 72 LEU N 16485 1 62 . 1 1 73 73 LYS N N 15 18.453 2.834 . . . 1 73 LYS N 16485 1 63 . 1 1 74 74 GLU N N 15 17.561 2.332 . . . 1 74 GLU N 16485 1 64 . 1 1 75 75 ASN N N 15 17.747 3.088 . . . 1 75 ASN N 16485 1 65 . 1 1 76 76 ALA N N 15 19.042 3.176 . . . 1 76 ALA N 16485 1 66 . 1 1 77 77 VAL N N 15 16.564 2.780 . . . 1 77 VAL N 16485 1 67 . 1 1 79 79 THR N N 15 15.450 2.316 . . . 1 79 THR N 16485 1 68 . 1 1 80 80 ILE N N 15 35.023 9.842 . . . 1 80 ILE N 16485 1 69 . 1 1 81 81 PHE N N 15 32.310 8.017 . . . 1 81 PHE N 16485 1 70 . 1 1 83 83 GLU N N 15 15.502 2.140 . . . 1 83 GLU N 16485 1 71 . 1 1 84 84 LEU N N 15 7.164 1.934 . . . 1 84 LEU N 16485 1 72 . 1 1 85 85 VAL N N 15 5.987 1.891 . . . 1 85 VAL N 16485 1 73 . 1 1 87 87 ARG N N 15 4.054 2.109 . . . 1 87 ARG N 16485 1 stop_ save_