data_34890 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34890 _Entry.Title ; NMR solution structure of the N-terminal cytoplasmic domain, DdvANt, of the membrane antisigma factor DdvA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-04 _Entry.Accession_date 2024-01-04 _Entry.Last_release_date 2024-01-30 _Entry.Original_release_date 2024-01-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 D. Pantoja-Uceda D. . . . 34890 2 S. Padmanabhan S. . . . 34890 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ECF sigma binding domain' . 34890 'Membrane antisigma' . 34890 TRANSCRIPTION . 34890 'Three-helix bundle' . 34890 'Zinc-associated antisigma domain' . 34890 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34890 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 34890 '15N chemical shifts' 71 34890 '1H chemical shifts' 488 34890 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-10-30 . original BMRB . 34890 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52646 'assignment of DdvANt cComplex with DdvS sigma 4 domain' 34890 BMRB 52647 'assignment of DdvANt cComplex with DdvS sigma 2 domain' 34890 PDB 8RLZ 'BMRB Entry Tracking System' 34890 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34890 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for regulated expression of a CBASS- CRISPR-Cas defense island by a membrane antisigma factor and its ECF sigma partner ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 D. Bernal-Bernal D. . . . 34890 1 2 I. Tascon I. . . . 34890 1 3 D. Pantoja-Uceda D. . . . 34890 1 4 J. Lopez-Alonso J. P. . . 34890 1 5 A. Lopez-Rojo A. . . . 34890 1 6 J. Lopez-Ruiz J. A. . . 34890 1 7 M. Galbis-Martinez M. . . . 34890 1 8 M. Elias-Arnanz M. . . . 34890 1 9 I. Ubarretxena-Belandia I. . . . 34890 1 10 S. Padmanabhan S. . . . 34890 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34890 _Assembly.ID 1 _Assembly.Name 'CHAT domain-containing protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34890 1 2 unit_2 2 $entity_ZN B A no . . . . . . 34890 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 . 1 CYS 26 26 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34890 1 2 coordination single . 1 . 1 HIS 48 48 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34890 1 3 coordination single . 1 . 1 CYS 52 52 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34890 1 4 coordination single . 1 . 1 CYS 55 55 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34890 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34890 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSHHHHHHSSGLVPRGSHM MSSSPCDQLQSFADGDLPPM EAQAFGQHLADCEKCQVELT RLLQLDQLGRGYIERHGPVD IPWHALPRNR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10068.254 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Antisigma factor DdvA' . 34890 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 -19 GLY . 34890 1 2 -18 SER . 34890 1 3 -17 SER . 34890 1 4 -16 HIS . 34890 1 5 -15 HIS . 34890 1 6 -14 HIS . 34890 1 7 -13 HIS . 34890 1 8 -12 HIS . 34890 1 9 -11 HIS . 34890 1 10 -10 SER . 34890 1 11 -9 SER . 34890 1 12 -8 GLY . 34890 1 13 -7 LEU . 34890 1 14 -6 VAL . 34890 1 15 -5 PRO . 34890 1 16 -4 ARG . 34890 1 17 -3 GLY . 34890 1 18 -2 SER . 34890 1 19 -1 HIS . 34890 1 20 0 MET . 34890 1 21 1 MET . 34890 1 22 2 SER . 34890 1 23 3 SER . 34890 1 24 4 SER . 34890 1 25 5 PRO . 34890 1 26 6 CYS . 34890 1 27 7 ASP . 34890 1 28 8 GLN . 34890 1 29 9 LEU . 34890 1 30 10 GLN . 34890 1 31 11 SER . 34890 1 32 12 PHE . 34890 1 33 13 ALA . 34890 1 34 14 ASP . 34890 1 35 15 GLY . 34890 1 36 16 ASP . 34890 1 37 17 LEU . 34890 1 38 18 PRO . 34890 1 39 19 PRO . 34890 1 40 20 MET . 34890 1 41 21 GLU . 34890 1 42 22 ALA . 34890 1 43 23 GLN . 34890 1 44 24 ALA . 34890 1 45 25 PHE . 34890 1 46 26 GLY . 34890 1 47 27 GLN . 34890 1 48 28 HIS . 34890 1 49 29 LEU . 34890 1 50 30 ALA . 34890 1 51 31 ASP . 34890 1 52 32 CYS . 34890 1 53 33 GLU . 34890 1 54 34 LYS . 34890 1 55 35 CYS . 34890 1 56 36 GLN . 34890 1 57 37 VAL . 34890 1 58 38 GLU . 34890 1 59 39 LEU . 34890 1 60 40 THR . 34890 1 61 41 ARG . 34890 1 62 42 LEU . 34890 1 63 43 LEU . 34890 1 64 44 GLN . 34890 1 65 45 LEU . 34890 1 66 46 ASP . 34890 1 67 47 GLN . 34890 1 68 48 LEU . 34890 1 69 49 GLY . 34890 1 70 50 ARG . 34890 1 71 51 GLY . 34890 1 72 52 TYR . 34890 1 73 53 ILE . 34890 1 74 54 GLU . 34890 1 75 55 ARG . 34890 1 76 56 HIS . 34890 1 77 57 GLY . 34890 1 78 58 PRO . 34890 1 79 59 VAL . 34890 1 80 60 ASP . 34890 1 81 61 ILE . 34890 1 82 62 PRO . 34890 1 83 63 TRP . 34890 1 84 64 HIS . 34890 1 85 65 ALA . 34890 1 86 66 LEU . 34890 1 87 67 PRO . 34890 1 88 68 ARG . 34890 1 89 69 ASN . 34890 1 90 70 ARG . 34890 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 . GLY 1 1 34890 1 . SER 2 2 34890 1 . SER 3 3 34890 1 . HIS 4 4 34890 1 . HIS 5 5 34890 1 . HIS 6 6 34890 1 . HIS 7 7 34890 1 . HIS 8 8 34890 1 . HIS 9 9 34890 1 . SER 10 10 34890 1 . SER 11 11 34890 1 . GLY 12 12 34890 1 . LEU 13 13 34890 1 . VAL 14 14 34890 1 . PRO 15 15 34890 1 . ARG 16 16 34890 1 . GLY 17 17 34890 1 . SER 18 18 34890 1 . HIS 19 19 34890 1 . MET 20 20 34890 1 . MET 21 21 34890 1 . SER 22 22 34890 1 . SER 23 23 34890 1 . SER 24 24 34890 1 . PRO 25 25 34890 1 . CYS 26 26 34890 1 . ASP 27 27 34890 1 . GLN 28 28 34890 1 . LEU 29 29 34890 1 . GLN 30 30 34890 1 . SER 31 31 34890 1 . PHE 32 32 34890 1 . ALA 33 33 34890 1 . ASP 34 34 34890 1 . GLY 35 35 34890 1 . ASP 36 36 34890 1 . LEU 37 37 34890 1 . PRO 38 38 34890 1 . PRO 39 39 34890 1 . MET 40 40 34890 1 . GLU 41 41 34890 1 . ALA 42 42 34890 1 . GLN 43 43 34890 1 . ALA 44 44 34890 1 . PHE 45 45 34890 1 . GLY 46 46 34890 1 . GLN 47 47 34890 1 . HIS 48 48 34890 1 . LEU 49 49 34890 1 . ALA 50 50 34890 1 . ASP 51 51 34890 1 . CYS 52 52 34890 1 . GLU 53 53 34890 1 . LYS 54 54 34890 1 . CYS 55 55 34890 1 . GLN 56 56 34890 1 . VAL 57 57 34890 1 . GLU 58 58 34890 1 . LEU 59 59 34890 1 . THR 60 60 34890 1 . ARG 61 61 34890 1 . LEU 62 62 34890 1 . LEU 63 63 34890 1 . GLN 64 64 34890 1 . LEU 65 65 34890 1 . ASP 66 66 34890 1 . GLN 67 67 34890 1 . LEU 68 68 34890 1 . GLY 69 69 34890 1 . ARG 70 70 34890 1 . GLY 71 71 34890 1 . TYR 72 72 34890 1 . ILE 73 73 34890 1 . GLU 74 74 34890 1 . ARG 75 75 34890 1 . HIS 76 76 34890 1 . GLY 77 77 34890 1 . PRO 78 78 34890 1 . VAL 79 79 34890 1 . ASP 80 80 34890 1 . ILE 81 81 34890 1 . PRO 82 82 34890 1 . TRP 83 83 34890 1 . HIS 84 84 34890 1 . ALA 85 85 34890 1 . LEU 86 86 34890 1 . PRO 87 87 34890 1 . ARG 88 88 34890 1 . ASN 89 89 34890 1 . ARG 90 90 34890 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34890 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34890 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34890 2 ZN 'Three letter code' 34890 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 1 ZN $chem_comp_ZN 34890 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34890 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 34 organism . 'Myxococcus xanthus' 'Myxococcus xanthus' . . Bacteria . Myxococcus xanthus DK1050 . . . . . . . . . . I5Q59_35855 . 34890 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 34890 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34890 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 34890 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _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 . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34890 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34890 ZN [Zn++] SMILES CACTVS 3.341 34890 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34890 ZN [Zn+2] SMILES ACDLabs 10.04 34890 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34890 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34890 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 34890 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34890 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 ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34890 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34890 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-13C; U-15N] DdvANt, 100 mM sodium chloride, 20 mM Tris, 2 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O ; _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 DdvANt '[U-13C; U-15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 34890 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34890 1 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 34890 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 34890 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 34890 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34890 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM DdvANt, 100 mM sodium chloride, 20 mM Tris, 2 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O' _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 DdvANt 'natural abundance' . . 1 $entity_1 . . 0.7 . . mM . . . . 34890 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34890 2 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 34890 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 34890 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 34890 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 34890 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34890 1 pH 7.0 . pH 34890 1 pressure 1 . atm 34890 1 temperature 298 . K 34890 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34890 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34890 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34890 1 processing . 34890 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34890 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34890 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34890 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34890 _Software.ID 3 _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' . . 34890 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34890 3 'data analysis' . 34890 3 'peak picking' . 34890 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34890 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34890 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34890 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34890 _Software.ID 5 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34890 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34890 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34890 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34890 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 800 . . . 34890 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 34890 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 3 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 5 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 6 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 9 '3D (H)CCCONH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 10 '3D HNHA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 12 '3D (H)N(COCA)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 13 '3D H(MCOCA)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 14 '2D NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 15 '2D TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 17 '2D NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 18 '2D TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34890 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34890 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 34890 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34890 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34890 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34890 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34890 1 2 '2D 1H-13C HSQC' . . . 34890 1 3 '3D HNCO' . . . 34890 1 4 '3D HN(CA)CO' . . . 34890 1 5 '3D HNCA' . . . 34890 1 6 '3D HNCACB' . . . 34890 1 7 '3D CBCA(CO)NH' . . . 34890 1 8 '3D H(CCO)NH' . . . 34890 1 9 '3D (H)CCCONH' . . . 34890 1 10 '3D HNHA' . . . 34890 1 11 '3D HBHA(CO)NH' . . . 34890 1 12 '3D (H)N(COCA)NH' . . . 34890 1 13 '3D H(MCOCA)NH' . . . 34890 1 14 '2D NOESY' . . . 34890 1 15 '2D TOCSY' . . . 34890 1 16 '3D 1H-15N NOESY' . . . 34890 1 17 '2D NOESY' . . . 34890 1 18 '2D TOCSY' . . . 34890 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 13 13 LEU H H 1 7.948 0.020 . 1 . . . . A -7 LEU H . 34890 1 2 . 1 . 1 13 13 LEU HA H 1 4.256 0.020 . 1 . . . . A -7 LEU HA . 34890 1 3 . 1 . 1 13 13 LEU HB2 H 1 1.496 0.020 . 2 . . . . A -7 LEU HB2 . 34890 1 4 . 1 . 1 13 13 LEU HB3 H 1 1.496 0.020 . 2 . . . . A -7 LEU HB3 . 34890 1 5 . 1 . 1 13 13 LEU HG H 1 1.444 0.020 . 1 . . . . A -7 LEU HG . 34890 1 6 . 1 . 1 13 13 LEU HD11 H 1 0.796 0.020 . 2 . . . . A -7 LEU HD11 . 34890 1 7 . 1 . 1 13 13 LEU HD12 H 1 0.796 0.020 . 2 . . . . A -7 LEU HD12 . 34890 1 8 . 1 . 1 13 13 LEU HD13 H 1 0.796 0.020 . 2 . . . . A -7 LEU HD13 . 34890 1 9 . 1 . 1 13 13 LEU HD21 H 1 0.796 0.020 . 2 . . . . A -7 LEU HD21 . 34890 1 10 . 1 . 1 13 13 LEU HD22 H 1 0.796 0.020 . 2 . . . . A -7 LEU HD22 . 34890 1 11 . 1 . 1 13 13 LEU HD23 H 1 0.796 0.020 . 2 . . . . A -7 LEU HD23 . 34890 1 12 . 1 . 1 13 13 LEU C C 13 177.024 0.400 . 1 . . . . A -7 LEU C . 34890 1 13 . 1 . 1 13 13 LEU CA C 13 55.035 0.400 . 1 . . . . A -7 LEU CA . 34890 1 14 . 1 . 1 13 13 LEU CB C 13 42.535 0.400 . 1 . . . . A -7 LEU CB . 34890 1 15 . 1 . 1 13 13 LEU CG C 13 26.910 0.400 . 1 . . . . A -7 LEU CG . 34890 1 16 . 1 . 1 13 13 LEU CD1 C 13 24.410 0.400 . 2 . . . . A -7 LEU CD1 . 34890 1 17 . 1 . 1 13 13 LEU CD2 C 13 23.160 0.400 . 2 . . . . A -7 LEU CD2 . 34890 1 18 . 1 . 1 13 13 LEU N N 15 121.386 0.400 . 1 . . . . A -7 LEU N . 34890 1 19 . 1 . 1 14 14 VAL H H 1 7.993 0.020 . 1 . . . . A -6 VAL H . 34890 1 20 . 1 . 1 14 14 VAL HA H 1 4.293 0.020 . 1 . . . . A -6 VAL HA . 34890 1 21 . 1 . 1 14 14 VAL HB H 1 1.945 0.020 . 1 . . . . A -6 VAL HB . 34890 1 22 . 1 . 1 14 14 VAL HG11 H 1 0.831 0.020 . 2 . . . . A -6 VAL HG11 . 34890 1 23 . 1 . 1 14 14 VAL HG12 H 1 0.831 0.020 . 2 . . . . A -6 VAL HG12 . 34890 1 24 . 1 . 1 14 14 VAL HG13 H 1 0.831 0.020 . 2 . . . . A -6 VAL HG13 . 34890 1 25 . 1 . 1 14 14 VAL HG21 H 1 0.807 0.020 . 2 . . . . A -6 VAL HG21 . 34890 1 26 . 1 . 1 14 14 VAL HG22 H 1 0.807 0.020 . 2 . . . . A -6 VAL HG22 . 34890 1 27 . 1 . 1 14 14 VAL HG23 H 1 0.807 0.020 . 2 . . . . A -6 VAL HG23 . 34890 1 28 . 1 . 1 14 14 VAL C C 13 174.282 0.400 . 1 . . . . A -6 VAL C . 34890 1 29 . 1 . 1 14 14 VAL CA C 13 60.035 0.400 . 1 . . . . A -6 VAL CA . 34890 1 30 . 1 . 1 14 14 VAL CB C 13 32.535 0.400 . 1 . . . . A -6 VAL CB . 34890 1 31 . 1 . 1 14 14 VAL N N 15 122.378 0.400 . 1 . . . . A -6 VAL N . 34890 1 32 . 1 . 1 15 15 PRO HA H 1 4.296 0.020 . 1 . . . . A -5 PRO HA . 34890 1 33 . 1 . 1 15 15 PRO HB2 H 1 2.177 0.020 . 2 . . . . A -5 PRO HB2 . 34890 1 34 . 1 . 1 15 15 PRO HB3 H 1 1.821 0.020 . 2 . . . . A -5 PRO HB3 . 34890 1 35 . 1 . 1 15 15 PRO HG2 H 1 1.923 0.020 . 2 . . . . A -5 PRO HG2 . 34890 1 36 . 1 . 1 15 15 PRO HG3 H 1 1.923 0.020 . 2 . . . . A -5 PRO HG3 . 34890 1 37 . 1 . 1 15 15 PRO HD2 H 1 3.543 0.020 . 2 . . . . A -5 PRO HD2 . 34890 1 38 . 1 . 1 15 15 PRO HD3 H 1 3.747 0.020 . 2 . . . . A -5 PRO HD3 . 34890 1 39 . 1 . 1 15 15 PRO C C 13 176.806 0.400 . 1 . . . . A -5 PRO C . 34890 1 40 . 1 . 1 15 15 PRO CA C 13 63.160 0.400 . 1 . . . . A -5 PRO CA . 34890 1 41 . 1 . 1 15 15 PRO CB C 13 31.910 0.400 . 1 . . . . A -5 PRO CB . 34890 1 42 . 1 . 1 15 15 PRO CG C 13 27.535 0.400 . 1 . . . . A -5 PRO CG . 34890 1 43 . 1 . 1 15 15 PRO CD C 13 51.285 0.400 . 1 . . . . A -5 PRO CD . 34890 1 44 . 1 . 1 16 16 ARG H H 1 8.390 0.020 . 1 . . . . A -4 ARG H . 34890 1 45 . 1 . 1 16 16 ARG HA H 1 4.208 0.020 . 1 . . . . A -4 ARG HA . 34890 1 46 . 1 . 1 16 16 ARG HB2 H 1 1.691 0.020 . 2 . . . . A -4 ARG HB2 . 34890 1 47 . 1 . 1 16 16 ARG HB3 H 1 1.754 0.020 . 2 . . . . A -4 ARG HB3 . 34890 1 48 . 1 . 1 16 16 ARG HG2 H 1 1.609 0.020 . 2 . . . . A -4 ARG HG2 . 34890 1 49 . 1 . 1 16 16 ARG HG3 H 1 1.565 0.020 . 2 . . . . A -4 ARG HG3 . 34890 1 50 . 1 . 1 16 16 ARG HD2 H 1 3.107 0.020 . 2 . . . . A -4 ARG HD2 . 34890 1 51 . 1 . 1 16 16 ARG HD3 H 1 3.107 0.020 . 2 . . . . A -4 ARG HD3 . 34890 1 52 . 1 . 1 16 16 ARG C C 13 176.893 0.400 . 1 . . . . A -4 ARG C . 34890 1 53 . 1 . 1 16 16 ARG CA C 13 56.285 0.400 . 1 . . . . A -4 ARG CA . 34890 1 54 . 1 . 1 16 16 ARG CB C 13 30.660 0.400 . 1 . . . . A -4 ARG CB . 34890 1 55 . 1 . 1 16 16 ARG CG C 13 26.910 0.400 . 1 . . . . A -4 ARG CG . 34890 1 56 . 1 . 1 16 16 ARG CD C 13 43.160 0.400 . 1 . . . . A -4 ARG CD . 34890 1 57 . 1 . 1 16 16 ARG N N 15 121.858 0.400 . 1 . . . . A -4 ARG N . 34890 1 58 . 1 . 1 17 17 GLY H H 1 8.385 0.020 . 1 . . . . A -3 GLY H . 34890 1 59 . 1 . 1 17 17 GLY HA2 H 1 3.891 0.020 . 2 . . . . A -3 GLY HA2 . 34890 1 60 . 1 . 1 17 17 GLY C C 13 174.165 0.400 . 1 . . . . A -3 GLY C . 34890 1 61 . 1 . 1 17 17 GLY CA C 13 45.035 0.400 . 1 . . . . A -3 GLY CA . 34890 1 62 . 1 . 1 17 17 GLY N N 15 124.570 0.400 . 1 . . . . A -3 GLY N . 34890 1 63 . 1 . 1 18 18 SER H H 1 8.168 0.020 . 1 . . . . A -2 SER H . 34890 1 64 . 1 . 1 18 18 SER CA C 13 58.785 0.400 . 1 . . . . A -2 SER CA . 34890 1 65 . 1 . 1 18 18 SER CB C 13 63.785 0.400 . 1 . . . . A -2 SER CB . 34890 1 66 . 1 . 1 18 18 SER N N 15 115.569 0.400 . 1 . . . . A -2 SER N . 34890 1 67 . 1 . 1 19 19 HIS HA H 1 4.525 0.020 . 1 . . . . A -1 HIS HA . 34890 1 68 . 1 . 1 19 19 HIS HB2 H 1 3.024 0.020 . 2 . . . . A -1 HIS HB2 . 34890 1 69 . 1 . 1 19 19 HIS HB3 H 1 3.024 0.020 . 2 . . . . A -1 HIS HB3 . 34890 1 70 . 1 . 1 19 19 HIS C C 13 175.151 0.400 . 1 . . . . A -1 HIS C . 34890 1 71 . 1 . 1 19 19 HIS CA C 13 56.285 0.400 . 1 . . . . A -1 HIS CA . 34890 1 72 . 1 . 1 19 19 HIS CB C 13 30.660 0.400 . 1 . . . . A -1 HIS CB . 34890 1 73 . 1 . 1 19 19 HIS N N 15 121.031 0.400 . 1 . . . . A -1 HIS N . 34890 1 74 . 1 . 1 20 20 MET H H 1 8.106 0.020 . 1 . . . . A 0 MET H . 34890 1 75 . 1 . 1 20 20 MET HA H 1 4.325 0.020 . 1 . . . . A 0 MET HA . 34890 1 76 . 1 . 1 20 20 MET HB2 H 1 1.964 0.020 . 2 . . . . A 0 MET HB2 . 34890 1 77 . 1 . 1 20 20 MET HB3 H 1 1.848 0.020 . 2 . . . . A 0 MET HB3 . 34890 1 78 . 1 . 1 20 20 MET HG2 H 1 2.330 0.020 . 2 . . . . A 0 MET HG2 . 34890 1 79 . 1 . 1 20 20 MET HG3 H 1 2.330 0.020 . 2 . . . . A 0 MET HG3 . 34890 1 80 . 1 . 1 20 20 MET C C 13 175.954 0.400 . 1 . . . . A 0 MET C . 34890 1 81 . 1 . 1 20 20 MET CA C 13 55.660 0.400 . 1 . . . . A 0 MET CA . 34890 1 82 . 1 . 1 20 20 MET CB C 13 32.535 0.400 . 1 . . . . A 0 MET CB . 34890 1 83 . 1 . 1 20 20 MET CG C 13 31.910 0.400 . 1 . . . . A 0 MET CG . 34890 1 84 . 1 . 1 20 20 MET N N 15 121.048 0.400 . 1 . . . . A 0 MET N . 34890 1 85 . 1 . 1 21 21 MET H H 1 8.285 0.020 . 1 . . . . A 1 MET H . 34890 1 86 . 1 . 1 21 21 MET HA H 1 4.415 0.020 . 1 . . . . A 1 MET HA . 34890 1 87 . 1 . 1 21 21 MET HB2 H 1 2.035 0.020 . 2 . . . . A 1 MET HB2 . 34890 1 88 . 1 . 1 21 21 MET HB3 H 1 1.927 0.020 . 2 . . . . A 1 MET HB3 . 34890 1 89 . 1 . 1 21 21 MET HG2 H 1 2.518 0.020 . 2 . . . . A 1 MET HG2 . 34890 1 90 . 1 . 1 21 21 MET HG3 H 1 2.448 0.020 . 2 . . . . A 1 MET HG3 . 34890 1 91 . 1 . 1 21 21 MET C C 13 176.017 0.400 . 1 . . . . A 1 MET C . 34890 1 92 . 1 . 1 21 21 MET CA C 13 55.660 0.400 . 1 . . . . A 1 MET CA . 34890 1 93 . 1 . 1 21 21 MET CB C 13 32.535 0.400 . 1 . . . . A 1 MET CB . 34890 1 94 . 1 . 1 21 21 MET CG C 13 31.910 0.400 . 1 . . . . A 1 MET CG . 34890 1 95 . 1 . 1 21 21 MET N N 15 121.298 0.400 . 1 . . . . A 1 MET N . 34890 1 96 . 1 . 1 22 22 SER H H 1 8.245 0.020 . 1 . . . . A 2 SER H . 34890 1 97 . 1 . 1 22 22 SER HA H 1 4.428 0.020 . 1 . . . . A 2 SER HA . 34890 1 98 . 1 . 1 22 22 SER HB2 H 1 3.778 0.020 . 2 . . . . A 2 SER HB2 . 34890 1 99 . 1 . 1 22 22 SER HB3 H 1 3.778 0.020 . 2 . . . . A 2 SER HB3 . 34890 1 100 . 1 . 1 22 22 SER C C 13 174.306 0.400 . 1 . . . . A 2 SER C . 34890 1 101 . 1 . 1 22 22 SER CA C 13 58.160 0.400 . 1 . . . . A 2 SER CA . 34890 1 102 . 1 . 1 22 22 SER CB C 13 63.785 0.400 . 1 . . . . A 2 SER CB . 34890 1 103 . 1 . 1 22 22 SER N N 15 116.823 0.400 . 1 . . . . A 2 SER N . 34890 1 104 . 1 . 1 23 23 SER H H 1 8.311 0.020 . 1 . . . . A 3 SER H . 34890 1 105 . 1 . 1 23 23 SER HA H 1 4.422 0.020 . 1 . . . . A 3 SER HA . 34890 1 106 . 1 . 1 23 23 SER HB2 H 1 3.795 0.020 . 2 . . . . A 3 SER HB2 . 34890 1 107 . 1 . 1 23 23 SER HB3 H 1 3.795 0.020 . 2 . . . . A 3 SER HB3 . 34890 1 108 . 1 . 1 23 23 SER C C 13 173.830 0.400 . 1 . . . . A 3 SER C . 34890 1 109 . 1 . 1 23 23 SER CA C 13 58.160 0.400 . 1 . . . . A 3 SER CA . 34890 1 110 . 1 . 1 23 23 SER CB C 13 63.785 0.400 . 1 . . . . A 3 SER CB . 34890 1 111 . 1 . 1 23 23 SER N N 15 117.785 0.400 . 1 . . . . A 3 SER N . 34890 1 112 . 1 . 1 24 24 SER H H 1 8.336 0.020 . 1 . . . . A 4 SER H . 34890 1 113 . 1 . 1 24 24 SER HA H 1 4.793 0.020 . 1 . . . . A 4 SER HA . 34890 1 114 . 1 . 1 24 24 SER HB2 H 1 3.749 0.020 . 2 . . . . A 4 SER HB2 . 34890 1 115 . 1 . 1 24 24 SER HB3 H 1 3.838 0.020 . 2 . . . . A 4 SER HB3 . 34890 1 116 . 1 . 1 24 24 SER C C 13 174.308 0.400 . 1 . . . . A 4 SER C . 34890 1 117 . 1 . 1 24 24 SER CA C 13 55.660 0.400 . 1 . . . . A 4 SER CA . 34890 1 118 . 1 . 1 24 24 SER CB C 13 64.410 0.400 . 1 . . . . A 4 SER CB . 34890 1 119 . 1 . 1 24 24 SER N N 15 117.965 0.400 . 1 . . . . A 4 SER N . 34890 1 120 . 1 . 1 25 25 PRO HA H 1 4.199 0.020 . 1 . . . . A 5 PRO HA . 34890 1 121 . 1 . 1 25 25 PRO HB2 H 1 1.924 0.020 . 2 . . . . A 5 PRO HB2 . 34890 1 122 . 1 . 1 25 25 PRO HB3 H 1 1.924 0.020 . 2 . . . . A 5 PRO HB3 . 34890 1 123 . 1 . 1 25 25 PRO HG2 H 1 1.809 0.020 . 2 . . . . A 5 PRO HG2 . 34890 1 124 . 1 . 1 25 25 PRO HG3 H 1 1.809 0.020 . 2 . . . . A 5 PRO HG3 . 34890 1 125 . 1 . 1 25 25 PRO HD2 H 1 3.711 0.020 . 2 . . . . A 5 PRO HD2 . 34890 1 126 . 1 . 1 25 25 PRO HD3 H 1 3.632 0.020 . 2 . . . . A 5 PRO HD3 . 34890 1 127 . 1 . 1 25 25 PRO C C 13 177.027 0.400 . 1 . . . . A 5 PRO C . 34890 1 128 . 1 . 1 25 25 PRO CA C 13 64.410 0.400 . 1 . . . . A 5 PRO CA . 34890 1 129 . 1 . 1 25 25 PRO CB C 13 30.660 0.400 . 1 . . . . A 5 PRO CB . 34890 1 130 . 1 . 1 25 25 PRO CG C 13 27.535 0.400 . 1 . . . . A 5 PRO CG . 34890 1 131 . 1 . 1 26 26 CYS H H 1 7.238 0.020 . 1 . . . . A 6 CYS H . 34890 1 132 . 1 . 1 26 26 CYS HA H 1 3.885 0.020 . 1 . . . . A 6 CYS HA . 34890 1 133 . 1 . 1 26 26 CYS HB2 H 1 3.079 0.020 . 2 . . . . A 6 CYS HB2 . 34890 1 134 . 1 . 1 26 26 CYS HB3 H 1 2.397 0.020 . 2 . . . . A 6 CYS HB3 . 34890 1 135 . 1 . 1 26 26 CYS C C 13 177.605 0.400 . 1 . . . . A 6 CYS C . 34890 1 136 . 1 . 1 26 26 CYS CA C 13 61.910 0.400 . 1 . . . . A 6 CYS CA . 34890 1 137 . 1 . 1 26 26 CYS CB C 13 30.035 0.400 . 1 . . . . A 6 CYS CB . 34890 1 138 . 1 . 1 26 26 CYS N N 15 115.640 0.400 . 1 . . . . A 6 CYS N . 34890 1 139 . 1 . 1 27 27 ASP H H 1 7.647 0.020 . 1 . . . . A 7 ASP H . 34890 1 140 . 1 . 1 27 27 ASP HA H 1 4.334 0.020 . 1 . . . . A 7 ASP HA . 34890 1 141 . 1 . 1 27 27 ASP HB2 H 1 2.703 0.020 . 2 . . . . A 7 ASP HB2 . 34890 1 142 . 1 . 1 27 27 ASP HB3 H 1 2.665 0.020 . 2 . . . . A 7 ASP HB3 . 34890 1 143 . 1 . 1 27 27 ASP C C 13 177.534 0.400 . 1 . . . . A 7 ASP C . 34890 1 144 . 1 . 1 27 27 ASP CA C 13 56.285 0.400 . 1 . . . . A 7 ASP CA . 34890 1 145 . 1 . 1 27 27 ASP CB C 13 40.035 0.400 . 1 . . . . A 7 ASP CB . 34890 1 146 . 1 . 1 27 27 ASP N N 15 116.413 0.400 . 1 . . . . A 7 ASP N . 34890 1 147 . 1 . 1 28 28 GLN H H 1 7.779 0.020 . 1 . . . . A 8 GLN H . 34890 1 148 . 1 . 1 28 28 GLN HA H 1 4.266 0.020 . 1 . . . . A 8 GLN HA . 34890 1 149 . 1 . 1 28 28 GLN HB2 H 1 2.031 0.020 . 2 . . . . A 8 GLN HB2 . 34890 1 150 . 1 . 1 28 28 GLN HB3 H 1 2.031 0.020 . 2 . . . . A 8 GLN HB3 . 34890 1 151 . 1 . 1 28 28 GLN HG2 H 1 2.162 0.020 . 2 . . . . A 8 GLN HG2 . 34890 1 152 . 1 . 1 28 28 GLN HG3 H 1 2.316 0.020 . 2 . . . . A 8 GLN HG3 . 34890 1 153 . 1 . 1 28 28 GLN HE21 H 1 6.714 0.020 . 2 . . . . A 8 GLN HE21 . 34890 1 154 . 1 . 1 28 28 GLN HE22 H 1 7.377 0.020 . 2 . . . . A 8 GLN HE22 . 34890 1 155 . 1 . 1 28 28 GLN C C 13 174.815 0.400 . 1 . . . . A 8 GLN C . 34890 1 156 . 1 . 1 28 28 GLN CA C 13 55.660 0.400 . 1 . . . . A 8 GLN CA . 34890 1 157 . 1 . 1 28 28 GLN CB C 13 29.410 0.400 . 1 . . . . A 8 GLN CB . 34890 1 158 . 1 . 1 28 28 GLN CG C 13 34.410 0.400 . 1 . . . . A 8 GLN CG . 34890 1 159 . 1 . 1 28 28 GLN N N 15 117.307 0.400 . 1 . . . . A 8 GLN N . 34890 1 160 . 1 . 1 29 29 LEU H H 1 7.231 0.020 . 1 . . . . A 9 LEU H . 34890 1 161 . 1 . 1 29 29 LEU HA H 1 3.414 0.020 . 1 . . . . A 9 LEU HA . 34890 1 162 . 1 . 1 29 29 LEU HB2 H 1 1.809 0.020 . 2 . . . . A 9 LEU HB2 . 34890 1 163 . 1 . 1 29 29 LEU HB3 H 1 2.308 0.020 . 2 . . . . A 9 LEU HB3 . 34890 1 164 . 1 . 1 29 29 LEU HG H 1 1.604 0.020 . 1 . . . . A 9 LEU HG . 34890 1 165 . 1 . 1 29 29 LEU HD11 H 1 1.178 0.020 . 2 . . . . A 9 LEU HD11 . 34890 1 166 . 1 . 1 29 29 LEU HD12 H 1 1.178 0.020 . 2 . . . . A 9 LEU HD12 . 34890 1 167 . 1 . 1 29 29 LEU HD13 H 1 1.178 0.020 . 2 . . . . A 9 LEU HD13 . 34890 1 168 . 1 . 1 29 29 LEU HD21 H 1 1.058 0.020 . 2 . . . . A 9 LEU HD21 . 34890 1 169 . 1 . 1 29 29 LEU HD22 H 1 1.058 0.020 . 2 . . . . A 9 LEU HD22 . 34890 1 170 . 1 . 1 29 29 LEU HD23 H 1 1.058 0.020 . 2 . . . . A 9 LEU HD23 . 34890 1 171 . 1 . 1 29 29 LEU C C 13 177.834 0.400 . 1 . . . . A 9 LEU C . 34890 1 172 . 1 . 1 29 29 LEU CA C 13 58.785 0.400 . 1 . . . . A 9 LEU CA . 34890 1 173 . 1 . 1 29 29 LEU CB C 13 40.660 0.400 . 1 . . . . A 9 LEU CB . 34890 1 174 . 1 . 1 29 29 LEU CG C 13 26.329 0.400 . 1 . . . . A 9 LEU CG . 34890 1 175 . 1 . 1 29 29 LEU CD1 C 13 25.430 0.400 . 2 . . . . A 9 LEU CD1 . 34890 1 176 . 1 . 1 29 29 LEU N N 15 120.896 0.400 . 1 . . . . A 9 LEU N . 34890 1 177 . 1 . 1 30 30 GLN H H 1 8.474 0.020 . 1 . . . . A 10 GLN H . 34890 1 178 . 1 . 1 30 30 GLN HA H 1 3.616 0.020 . 1 . . . . A 10 GLN HA . 34890 1 179 . 1 . 1 30 30 GLN HB2 H 1 2.029 0.020 . 2 . . . . A 10 GLN HB2 . 34890 1 180 . 1 . 1 30 30 GLN HB3 H 1 1.979 0.020 . 2 . . . . A 10 GLN HB3 . 34890 1 181 . 1 . 1 30 30 GLN HG2 H 1 2.230 0.020 . 2 . . . . A 10 GLN HG2 . 34890 1 182 . 1 . 1 30 30 GLN HG3 H 1 2.230 0.020 . 2 . . . . A 10 GLN HG3 . 34890 1 183 . 1 . 1 30 30 GLN HE21 H 1 7.749 0.020 . 2 . . . . A 10 GLN HE21 . 34890 1 184 . 1 . 1 30 30 GLN HE22 H 1 6.540 0.020 . 2 . . . . A 10 GLN HE22 . 34890 1 185 . 1 . 1 30 30 GLN C C 13 177.602 0.400 . 1 . . . . A 10 GLN C . 34890 1 186 . 1 . 1 30 30 GLN CA C 13 59.410 0.400 . 1 . . . . A 10 GLN CA . 34890 1 187 . 1 . 1 30 30 GLN CB C 13 27.535 0.400 . 1 . . . . A 10 GLN CB . 34890 1 188 . 1 . 1 30 30 GLN CG C 13 33.785 0.400 . 1 . . . . A 10 GLN CG . 34890 1 189 . 1 . 1 30 30 GLN N N 15 118.120 0.400 . 1 . . . . A 10 GLN N . 34890 1 190 . 1 . 1 31 31 SER H H 1 7.964 0.020 . 1 . . . . A 11 SER H . 34890 1 191 . 1 . 1 31 31 SER HA H 1 4.220 0.020 . 1 . . . . A 11 SER HA . 34890 1 192 . 1 . 1 31 31 SER HB2 H 1 3.588 0.020 . 2 . . . . A 11 SER HB2 . 34890 1 193 . 1 . 1 31 31 SER HB3 H 1 3.676 0.020 . 2 . . . . A 11 SER HB3 . 34890 1 194 . 1 . 1 31 31 SER C C 13 176.220 0.400 . 1 . . . . A 11 SER C . 34890 1 195 . 1 . 1 31 31 SER CA C 13 61.997 0.400 . 1 . . . . A 11 SER CA . 34890 1 196 . 1 . 1 31 31 SER CB C 13 63.111 0.400 . 1 . . . . A 11 SER CB . 34890 1 197 . 1 . 1 31 31 SER N N 15 114.582 0.400 . 1 . . . . A 11 SER N . 34890 1 198 . 1 . 1 32 32 PHE H H 1 8.160 0.020 . 1 . . . . A 12 PHE H . 34890 1 199 . 1 . 1 32 32 PHE HA H 1 4.000 0.020 . 1 . . . . A 12 PHE HA . 34890 1 200 . 1 . 1 32 32 PHE HB2 H 1 2.217 0.020 . 2 . . . . A 12 PHE HB2 . 34890 1 201 . 1 . 1 32 32 PHE HB3 H 1 2.802 0.020 . 2 . . . . A 12 PHE HB3 . 34890 1 202 . 1 . 1 32 32 PHE HD1 H 1 6.952 0.020 . 1 . . . . A 12 PHE HD1 . 34890 1 203 . 1 . 1 32 32 PHE HD2 H 1 6.952 0.020 . 1 . . . . A 12 PHE HD2 . 34890 1 204 . 1 . 1 32 32 PHE HE1 H 1 6.159 0.020 . 1 . . . . A 12 PHE HE1 . 34890 1 205 . 1 . 1 32 32 PHE HE2 H 1 6.159 0.020 . 1 . . . . A 12 PHE HE2 . 34890 1 206 . 1 . 1 32 32 PHE HZ H 1 7.510 0.020 . 1 . . . . A 12 PHE HZ . 34890 1 207 . 1 . 1 32 32 PHE C C 13 178.794 0.400 . 1 . . . . A 12 PHE C . 34890 1 208 . 1 . 1 32 32 PHE CA C 13 60.660 0.400 . 1 . . . . A 12 PHE CA . 34890 1 209 . 1 . 1 32 32 PHE CB C 13 38.785 0.400 . 1 . . . . A 12 PHE CB . 34890 1 210 . 1 . 1 32 32 PHE N N 15 121.785 0.400 . 1 . . . . A 12 PHE N . 34890 1 211 . 1 . 1 33 33 ALA H H 1 8.744 0.020 . 1 . . . . A 13 ALA H . 34890 1 212 . 1 . 1 33 33 ALA HA H 1 3.610 0.020 . 1 . . . . A 13 ALA HA . 34890 1 213 . 1 . 1 33 33 ALA HB1 H 1 1.321 0.020 . 1 . . . . A 13 ALA HB1 . 34890 1 214 . 1 . 1 33 33 ALA HB2 H 1 1.321 0.020 . 1 . . . . A 13 ALA HB2 . 34890 1 215 . 1 . 1 33 33 ALA HB3 H 1 1.321 0.020 . 1 . . . . A 13 ALA HB3 . 34890 1 216 . 1 . 1 33 33 ALA C C 13 178.542 0.400 . 1 . . . . A 13 ALA C . 34890 1 217 . 1 . 1 33 33 ALA CA C 13 55.035 0.400 . 1 . . . . A 13 ALA CA . 34890 1 218 . 1 . 1 33 33 ALA CB C 13 18.161 0.400 . 1 . . . . A 13 ALA CB . 34890 1 219 . 1 . 1 33 33 ALA N N 15 123.902 0.400 . 1 . . . . A 13 ALA N . 34890 1 220 . 1 . 1 34 34 ASP H H 1 8.061 0.020 . 1 . . . . A 14 ASP H . 34890 1 221 . 1 . 1 34 34 ASP HA H 1 4.428 0.020 . 1 . . . . A 14 ASP HA . 34890 1 222 . 1 . 1 34 34 ASP HB2 H 1 2.644 0.020 . 2 . . . . A 14 ASP HB2 . 34890 1 223 . 1 . 1 34 34 ASP HB3 H 1 2.541 0.020 . 2 . . . . A 14 ASP HB3 . 34890 1 224 . 1 . 1 34 34 ASP C C 13 176.773 0.400 . 1 . . . . A 14 ASP C . 34890 1 225 . 1 . 1 34 34 ASP CA C 13 55.035 0.400 . 1 . . . . A 14 ASP CA . 34890 1 226 . 1 . 1 34 34 ASP CB C 13 41.196 0.400 . 1 . . . . A 14 ASP CB . 34890 1 227 . 1 . 1 34 34 ASP N N 15 115.418 0.400 . 1 . . . . A 14 ASP N . 34890 1 228 . 1 . 1 35 35 GLY H H 1 7.597 0.020 . 1 . . . . A 15 GLY H . 34890 1 229 . 1 . 1 35 35 GLY HA2 H 1 3.868 0.020 . 2 . . . . A 15 GLY HA2 . 34890 1 230 . 1 . 1 35 35 GLY HA3 H 1 3.621 0.020 . 2 . . . . A 15 GLY HA3 . 34890 1 231 . 1 . 1 35 35 GLY C C 13 175.203 0.400 . 1 . . . . A 15 GLY C . 34890 1 232 . 1 . 1 35 35 GLY CA C 13 46.285 0.400 . 1 . . . . A 15 GLY CA . 34890 1 233 . 1 . 1 35 35 GLY N N 15 122.098 0.400 . 1 . . . . A 15 GLY N . 34890 1 234 . 1 . 1 36 36 ASP H H 1 8.026 0.020 . 1 . . . . A 16 ASP H . 34890 1 235 . 1 . 1 36 36 ASP HA H 1 4.642 0.020 . 1 . . . . A 16 ASP HA . 34890 1 236 . 1 . 1 36 36 ASP HB2 H 1 2.694 0.020 . 2 . . . . A 16 ASP HB2 . 34890 1 237 . 1 . 1 36 36 ASP HB3 H 1 2.346 0.020 . 2 . . . . A 16 ASP HB3 . 34890 1 238 . 1 . 1 36 36 ASP C C 13 176.594 0.400 . 1 . . . . A 16 ASP C . 34890 1 239 . 1 . 1 36 36 ASP CA C 13 54.410 0.400 . 1 . . . . A 16 ASP CA . 34890 1 240 . 1 . 1 36 36 ASP CB C 13 41.910 0.400 . 1 . . . . A 16 ASP CB . 34890 1 241 . 1 . 1 36 36 ASP N N 15 117.818 0.400 . 1 . . . . A 16 ASP N . 34890 1 242 . 1 . 1 37 37 LEU H H 1 7.687 0.020 . 1 . . . . A 17 LEU H . 34890 1 243 . 1 . 1 37 37 LEU HA H 1 4.610 0.020 . 1 . . . . A 17 LEU HA . 34890 1 244 . 1 . 1 37 37 LEU HB2 H 1 1.734 0.020 . 2 . . . . A 17 LEU HB2 . 34890 1 245 . 1 . 1 37 37 LEU HB3 H 1 1.734 0.020 . 2 . . . . A 17 LEU HB3 . 34890 1 246 . 1 . 1 37 37 LEU HG H 1 1.273 0.020 . 1 . . . . A 17 LEU HG . 34890 1 247 . 1 . 1 37 37 LEU HD11 H 1 0.767 0.020 . 2 . . . . A 17 LEU HD11 . 34890 1 248 . 1 . 1 37 37 LEU HD12 H 1 0.767 0.020 . 2 . . . . A 17 LEU HD12 . 34890 1 249 . 1 . 1 37 37 LEU HD13 H 1 0.767 0.020 . 2 . . . . A 17 LEU HD13 . 34890 1 250 . 1 . 1 37 37 LEU HD21 H 1 0.798 0.020 . 2 . . . . A 17 LEU HD21 . 34890 1 251 . 1 . 1 37 37 LEU HD22 H 1 0.798 0.020 . 2 . . . . A 17 LEU HD22 . 34890 1 252 . 1 . 1 37 37 LEU HD23 H 1 0.798 0.020 . 2 . . . . A 17 LEU HD23 . 34890 1 253 . 1 . 1 37 37 LEU C C 13 174.726 0.400 . 1 . . . . A 17 LEU C . 34890 1 254 . 1 . 1 37 37 LEU CA C 13 52.535 0.400 . 1 . . . . A 17 LEU CA . 34890 1 255 . 1 . 1 37 37 LEU CB C 13 41.910 0.400 . 1 . . . . A 17 LEU CB . 34890 1 256 . 1 . 1 37 37 LEU N N 15 120.288 0.400 . 1 . . . . A 17 LEU N . 34890 1 257 . 1 . 1 38 38 PRO HD2 H 1 3.480 0.020 . 2 . . . . A 18 PRO HD2 . 34890 1 258 . 1 . 1 38 38 PRO HD3 H 1 3.899 0.020 . 2 . . . . A 18 PRO HD3 . 34890 1 259 . 1 . 1 39 39 PRO HA H 1 4.195 0.020 . 1 . . . . A 19 PRO HA . 34890 1 260 . 1 . 1 39 39 PRO C C 13 179.128 0.400 . 1 . . . . A 19 PRO C . 34890 1 261 . 1 . 1 39 39 PRO CA C 13 66.910 0.400 . 1 . . . . A 19 PRO CA . 34890 1 262 . 1 . 1 39 39 PRO CB C 13 32.535 0.400 . 1 . . . . A 19 PRO CB . 34890 1 263 . 1 . 1 39 39 PRO CG C 13 32.535 0.400 . 1 . . . . A 19 PRO CG . 34890 1 264 . 1 . 1 40 40 MET H H 1 9.089 0.020 . 1 . . . . A 20 MET H . 34890 1 265 . 1 . 1 40 40 MET HA H 1 4.225 0.020 . 1 . . . . A 20 MET HA . 34890 1 266 . 1 . 1 40 40 MET HB2 H 1 2.087 0.020 . 2 . . . . A 20 MET HB2 . 34890 1 267 . 1 . 1 40 40 MET HB3 H 1 1.981 0.020 . 2 . . . . A 20 MET HB3 . 34890 1 268 . 1 . 1 40 40 MET HG2 H 1 2.507 0.020 . 2 . . . . A 20 MET HG2 . 34890 1 269 . 1 . 1 40 40 MET HG3 H 1 2.640 0.020 . 2 . . . . A 20 MET HG3 . 34890 1 270 . 1 . 1 40 40 MET C C 13 179.535 0.400 . 1 . . . . A 20 MET C . 34890 1 271 . 1 . 1 40 40 MET CA C 13 58.785 0.400 . 1 . . . . A 20 MET CA . 34890 1 272 . 1 . 1 40 40 MET CB C 13 31.910 0.400 . 1 . . . . A 20 MET CB . 34890 1 273 . 1 . 1 40 40 MET CG C 13 32.535 0.400 . 1 . . . . A 20 MET CG . 34890 1 274 . 1 . 1 40 40 MET N N 15 116.992 0.400 . 1 . . . . A 20 MET N . 34890 1 275 . 1 . 1 41 41 GLU H H 1 7.921 0.020 . 1 . . . . A 21 GLU H . 34890 1 276 . 1 . 1 41 41 GLU HA H 1 4.153 0.020 . 1 . . . . A 21 GLU HA . 34890 1 277 . 1 . 1 41 41 GLU HB2 H 1 2.056 0.020 . 2 . . . . A 21 GLU HB2 . 34890 1 278 . 1 . 1 41 41 GLU HB3 H 1 1.981 0.020 . 2 . . . . A 21 GLU HB3 . 34890 1 279 . 1 . 1 41 41 GLU HG2 H 1 2.267 0.020 . 2 . . . . A 21 GLU HG2 . 34890 1 280 . 1 . 1 41 41 GLU HG3 H 1 2.334 0.020 . 2 . . . . A 21 GLU HG3 . 34890 1 281 . 1 . 1 41 41 GLU C C 13 179.484 0.400 . 1 . . . . A 21 GLU C . 34890 1 282 . 1 . 1 41 41 GLU CA C 13 59.410 0.400 . 1 . . . . A 21 GLU CA . 34890 1 283 . 1 . 1 41 41 GLU CB C 13 30.035 0.400 . 1 . . . . A 21 GLU CB . 34890 1 284 . 1 . 1 41 41 GLU CG C 13 36.910 0.400 . 1 . . . . A 21 GLU CG . 34890 1 285 . 1 . 1 41 41 GLU N N 15 121.065 0.400 . 1 . . . . A 21 GLU N . 34890 1 286 . 1 . 1 42 42 ALA H H 1 8.930 0.020 . 1 . . . . A 22 ALA H . 34890 1 287 . 1 . 1 42 42 ALA HA H 1 4.158 0.020 . 1 . . . . A 22 ALA HA . 34890 1 288 . 1 . 1 42 42 ALA HB1 H 1 1.503 0.020 . 1 . . . . A 22 ALA HB1 . 34890 1 289 . 1 . 1 42 42 ALA HB2 H 1 1.503 0.020 . 1 . . . . A 22 ALA HB2 . 34890 1 290 . 1 . 1 42 42 ALA HB3 H 1 1.503 0.020 . 1 . . . . A 22 ALA HB3 . 34890 1 291 . 1 . 1 42 42 ALA C C 13 180.101 0.400 . 1 . . . . A 22 ALA C . 34890 1 292 . 1 . 1 42 42 ALA CA C 13 55.660 0.400 . 1 . . . . A 22 ALA CA . 34890 1 293 . 1 . 1 42 42 ALA CB C 13 17.536 0.400 . 1 . . . . A 22 ALA CB . 34890 1 294 . 1 . 1 42 42 ALA N N 15 124.800 0.400 . 1 . . . . A 22 ALA N . 34890 1 295 . 1 . 1 43 43 GLN H H 1 8.285 0.020 . 1 . . . . A 23 GLN H . 34890 1 296 . 1 . 1 43 43 GLN HA H 1 4.052 0.020 . 1 . . . . A 23 GLN HA . 34890 1 297 . 1 . 1 43 43 GLN HB2 H 1 2.145 0.020 . 2 . . . . A 23 GLN HB2 . 34890 1 298 . 1 . 1 43 43 GLN HB3 H 1 2.145 0.020 . 2 . . . . A 23 GLN HB3 . 34890 1 299 . 1 . 1 43 43 GLN HG2 H 1 2.444 0.020 . 2 . . . . A 23 GLN HG2 . 34890 1 300 . 1 . 1 43 43 GLN HG3 H 1 2.320 0.020 . 2 . . . . A 23 GLN HG3 . 34890 1 301 . 1 . 1 43 43 GLN HE21 H 1 6.739 0.020 . 2 . . . . A 23 GLN HE21 . 34890 1 302 . 1 . 1 43 43 GLN HE22 H 1 7.404 0.020 . 2 . . . . A 23 GLN HE22 . 34890 1 303 . 1 . 1 43 43 GLN C C 13 178.986 0.400 . 1 . . . . A 23 GLN C . 34890 1 304 . 1 . 1 43 43 GLN CA C 13 58.785 0.400 . 1 . . . . A 23 GLN CA . 34890 1 305 . 1 . 1 43 43 GLN CB C 13 28.160 0.400 . 1 . . . . A 23 GLN CB . 34890 1 306 . 1 . 1 43 43 GLN CG C 13 33.785 0.400 . 1 . . . . A 23 GLN CG . 34890 1 307 . 1 . 1 43 43 GLN N N 15 119.174 0.400 . 1 . . . . A 23 GLN N . 34890 1 308 . 1 . 1 44 44 ALA H H 1 7.648 0.020 . 1 . . . . A 24 ALA H . 34890 1 309 . 1 . 1 44 44 ALA HA H 1 4.148 0.020 . 1 . . . . A 24 ALA HA . 34890 1 310 . 1 . 1 44 44 ALA HB1 H 1 1.475 0.020 . 1 . . . . A 24 ALA HB1 . 34890 1 311 . 1 . 1 44 44 ALA HB2 H 1 1.475 0.020 . 1 . . . . A 24 ALA HB2 . 34890 1 312 . 1 . 1 44 44 ALA HB3 H 1 1.475 0.020 . 1 . . . . A 24 ALA HB3 . 34890 1 313 . 1 . 1 44 44 ALA C C 13 180.960 0.400 . 1 . . . . A 24 ALA C . 34890 1 314 . 1 . 1 44 44 ALA CA C 13 55.035 0.400 . 1 . . . . A 24 ALA CA . 34890 1 315 . 1 . 1 44 44 ALA CB C 13 17.536 0.400 . 1 . . . . A 24 ALA CB . 34890 1 316 . 1 . 1 44 44 ALA N N 15 122.229 0.400 . 1 . . . . A 24 ALA N . 34890 1 317 . 1 . 1 45 45 PHE H H 1 8.594 0.020 . 1 . . . . A 25 PHE H . 34890 1 318 . 1 . 1 45 45 PHE HA H 1 3.845 0.020 . 1 . . . . A 25 PHE HA . 34890 1 319 . 1 . 1 45 45 PHE HB2 H 1 2.657 0.020 . 2 . . . . A 25 PHE HB2 . 34890 1 320 . 1 . 1 45 45 PHE HB3 H 1 2.971 0.020 . 2 . . . . A 25 PHE HB3 . 34890 1 321 . 1 . 1 45 45 PHE HD1 H 1 6.157 0.020 . 1 . . . . A 25 PHE HD1 . 34890 1 322 . 1 . 1 45 45 PHE HD2 H 1 6.157 0.020 . 1 . . . . A 25 PHE HD2 . 34890 1 323 . 1 . 1 45 45 PHE HE1 H 1 6.953 0.020 . 1 . . . . A 25 PHE HE1 . 34890 1 324 . 1 . 1 45 45 PHE HE2 H 1 6.953 0.020 . 1 . . . . A 25 PHE HE2 . 34890 1 325 . 1 . 1 45 45 PHE HZ H 1 7.291 0.020 . 1 . . . . A 25 PHE HZ . 34890 1 326 . 1 . 1 45 45 PHE C C 13 177.668 0.400 . 1 . . . . A 25 PHE C . 34890 1 327 . 1 . 1 45 45 PHE CA C 13 62.571 0.400 . 1 . . . . A 25 PHE CA . 34890 1 328 . 1 . 1 45 45 PHE CB C 13 38.160 0.400 . 1 . . . . A 25 PHE CB . 34890 1 329 . 1 . 1 45 45 PHE N N 15 121.647 0.400 . 1 . . . . A 25 PHE N . 34890 1 330 . 1 . 1 46 46 GLY H H 1 8.411 0.020 . 1 . . . . A 26 GLY H . 34890 1 331 . 1 . 1 46 46 GLY HA2 H 1 3.893 0.020 . 2 . . . . A 26 GLY HA2 . 34890 1 332 . 1 . 1 46 46 GLY HA3 H 1 3.296 0.020 . 2 . . . . A 26 GLY HA3 . 34890 1 333 . 1 . 1 46 46 GLY C C 13 176.003 0.400 . 1 . . . . A 26 GLY C . 34890 1 334 . 1 . 1 46 46 GLY CA C 13 46.910 0.400 . 1 . . . . A 26 GLY CA . 34890 1 335 . 1 . 1 46 46 GLY N N 15 121.541 0.400 . 1 . . . . A 26 GLY N . 34890 1 336 . 1 . 1 47 47 GLN H H 1 7.405 0.020 . 1 . . . . A 27 GLN H . 34890 1 337 . 1 . 1 47 47 GLN HA H 1 3.930 0.020 . 1 . . . . A 27 GLN HA . 34890 1 338 . 1 . 1 47 47 GLN HB2 H 1 2.101 0.020 . 2 . . . . A 27 GLN HB2 . 34890 1 339 . 1 . 1 47 47 GLN HB3 H 1 2.013 0.020 . 2 . . . . A 27 GLN HB3 . 34890 1 340 . 1 . 1 47 47 GLN HG2 H 1 2.375 0.020 . 2 . . . . A 27 GLN HG2 . 34890 1 341 . 1 . 1 47 47 GLN HG3 H 1 2.303 0.020 . 2 . . . . A 27 GLN HG3 . 34890 1 342 . 1 . 1 47 47 GLN HE21 H 1 6.713 0.020 . 2 . . . . A 27 GLN HE21 . 34890 1 343 . 1 . 1 47 47 GLN HE22 H 1 7.380 0.020 . 2 . . . . A 27 GLN HE22 . 34890 1 344 . 1 . 1 47 47 GLN C C 13 178.063 0.400 . 1 . . . . A 27 GLN C . 34890 1 345 . 1 . 1 47 47 GLN CA C 13 58.160 0.400 . 1 . . . . A 27 GLN CA . 34890 1 346 . 1 . 1 47 47 GLN CB C 13 28.160 0.400 . 1 . . . . A 27 GLN CB . 34890 1 347 . 1 . 1 47 47 GLN CG C 13 33.785 0.400 . 1 . . . . A 27 GLN CG . 34890 1 348 . 1 . 1 47 47 GLN N N 15 119.461 0.400 . 1 . . . . A 27 GLN N . 34890 1 349 . 1 . 1 48 48 HIS H H 1 7.255 0.020 . 1 . . . . A 28 HIS H . 34890 1 350 . 1 . 1 48 48 HIS HA H 1 4.065 0.020 . 1 . . . . A 28 HIS HA . 34890 1 351 . 1 . 1 48 48 HIS HB2 H 1 2.961 0.020 . 2 . . . . A 28 HIS HB2 . 34890 1 352 . 1 . 1 48 48 HIS HB3 H 1 2.774 0.020 . 2 . . . . A 28 HIS HB3 . 34890 1 353 . 1 . 1 48 48 HIS HD2 H 1 6.252 0.020 . 1 . . . . A 28 HIS HD2 . 34890 1 354 . 1 . 1 48 48 HIS C C 13 176.444 0.400 . 1 . . . . A 28 HIS C . 34890 1 355 . 1 . 1 48 48 HIS CA C 13 58.785 0.400 . 1 . . . . A 28 HIS CA . 34890 1 356 . 1 . 1 48 48 HIS CB C 13 26.910 0.400 . 1 . . . . A 28 HIS CB . 34890 1 357 . 1 . 1 48 48 HIS N N 15 119.898 0.400 . 1 . . . . A 28 HIS N . 34890 1 358 . 1 . 1 49 49 LEU H H 1 7.940 0.020 . 1 . . . . A 29 LEU H . 34890 1 359 . 1 . 1 49 49 LEU HA H 1 3.182 0.020 . 1 . . . . A 29 LEU HA . 34890 1 360 . 1 . 1 49 49 LEU HB2 H 1 1.081 0.020 . 2 . . . . A 29 LEU HB2 . 34890 1 361 . 1 . 1 49 49 LEU HB3 H 1 1.366 0.020 . 2 . . . . A 29 LEU HB3 . 34890 1 362 . 1 . 1 49 49 LEU HG H 1 1.230 0.020 . 1 . . . . A 29 LEU HG . 34890 1 363 . 1 . 1 49 49 LEU HD11 H 1 0.638 0.020 . 2 . . . . A 29 LEU HD11 . 34890 1 364 . 1 . 1 49 49 LEU HD12 H 1 0.638 0.020 . 2 . . . . A 29 LEU HD12 . 34890 1 365 . 1 . 1 49 49 LEU HD13 H 1 0.638 0.020 . 2 . . . . A 29 LEU HD13 . 34890 1 366 . 1 . 1 49 49 LEU HD21 H 1 0.638 0.020 . 2 . . . . A 29 LEU HD21 . 34890 1 367 . 1 . 1 49 49 LEU HD22 H 1 0.638 0.020 . 2 . . . . A 29 LEU HD22 . 34890 1 368 . 1 . 1 49 49 LEU HD23 H 1 0.638 0.020 . 2 . . . . A 29 LEU HD23 . 34890 1 369 . 1 . 1 49 49 LEU C C 13 176.748 0.400 . 1 . . . . A 29 LEU C . 34890 1 370 . 1 . 1 49 49 LEU CA C 13 56.910 0.400 . 1 . . . . A 29 LEU CA . 34890 1 371 . 1 . 1 49 49 LEU CB C 13 41.910 0.400 . 1 . . . . A 29 LEU CB . 34890 1 372 . 1 . 1 49 49 LEU N N 15 119.133 0.400 . 1 . . . . A 29 LEU N . 34890 1 373 . 1 . 1 50 50 ALA H H 1 6.923 0.020 . 1 . . . . A 30 ALA H . 34890 1 374 . 1 . 1 50 50 ALA HA H 1 3.715 0.020 . 1 . . . . A 30 ALA HA . 34890 1 375 . 1 . 1 50 50 ALA HB1 H 1 1.239 0.020 . 1 . . . . A 30 ALA HB1 . 34890 1 376 . 1 . 1 50 50 ALA HB2 H 1 1.239 0.020 . 1 . . . . A 30 ALA HB2 . 34890 1 377 . 1 . 1 50 50 ALA HB3 H 1 1.239 0.020 . 1 . . . . A 30 ALA HB3 . 34890 1 378 . 1 . 1 50 50 ALA C C 13 177.353 0.400 . 1 . . . . A 30 ALA C . 34890 1 379 . 1 . 1 50 50 ALA CA C 13 54.410 0.400 . 1 . . . . A 30 ALA CA . 34890 1 380 . 1 . 1 50 50 ALA CB C 13 18.161 0.400 . 1 . . . . A 30 ALA CB . 34890 1 381 . 1 . 1 50 50 ALA N N 15 116.584 0.400 . 1 . . . . A 30 ALA N . 34890 1 382 . 1 . 1 51 51 ASP H H 1 6.832 0.020 . 1 . . . . A 31 ASP H . 34890 1 383 . 1 . 1 51 51 ASP HA H 1 4.728 0.020 . 1 . . . . A 31 ASP HA . 34890 1 384 . 1 . 1 51 51 ASP HB2 H 1 2.638 0.020 . 2 . . . . A 31 ASP HB2 . 34890 1 385 . 1 . 1 51 51 ASP HB3 H 1 2.270 0.020 . 2 . . . . A 31 ASP HB3 . 34890 1 386 . 1 . 1 51 51 ASP C C 13 174.828 0.400 . 1 . . . . A 31 ASP C . 34890 1 387 . 1 . 1 51 51 ASP CA C 13 53.160 0.400 . 1 . . . . A 31 ASP CA . 34890 1 388 . 1 . 1 51 51 ASP CB C 13 43.160 0.400 . 1 . . . . A 31 ASP CB . 34890 1 389 . 1 . 1 51 51 ASP N N 15 127.622 0.400 . 1 . . . . A 31 ASP N . 34890 1 390 . 1 . 1 52 52 CYS H H 1 7.110 0.020 . 1 . . . . A 32 CYS H . 34890 1 391 . 1 . 1 52 52 CYS HA H 1 4.268 0.020 . 1 . . . . A 32 CYS HA . 34890 1 392 . 1 . 1 52 52 CYS HB2 H 1 2.162 0.020 . 2 . . . . A 32 CYS HB2 . 34890 1 393 . 1 . 1 52 52 CYS HB3 H 1 1.426 0.020 . 2 . . . . A 32 CYS HB3 . 34890 1 394 . 1 . 1 52 52 CYS C C 13 174.044 0.400 . 1 . . . . A 32 CYS C . 34890 1 395 . 1 . 1 52 52 CYS CA C 13 58.160 0.400 . 1 . . . . A 32 CYS CA . 34890 1 396 . 1 . 1 52 52 CYS CB C 13 30.035 0.400 . 1 . . . . A 32 CYS CB . 34890 1 397 . 1 . 1 52 52 CYS N N 15 123.508 0.400 . 1 . . . . A 32 CYS N . 34890 1 398 . 1 . 1 53 53 GLU H H 1 8.661 0.020 . 1 . . . . A 33 GLU H . 34890 1 399 . 1 . 1 53 53 GLU HA H 1 3.693 0.020 . 1 . . . . A 33 GLU HA . 34890 1 400 . 1 . 1 53 53 GLU HB2 H 1 1.918 0.020 . 2 . . . . A 33 GLU HB2 . 34890 1 401 . 1 . 1 53 53 GLU HB3 H 1 1.918 0.020 . 2 . . . . A 33 GLU HB3 . 34890 1 402 . 1 . 1 53 53 GLU HG2 H 1 2.209 0.020 . 2 . . . . A 33 GLU HG2 . 34890 1 403 . 1 . 1 53 53 GLU HG3 H 1 2.153 0.020 . 2 . . . . A 33 GLU HG3 . 34890 1 404 . 1 . 1 53 53 GLU C C 13 177.686 0.400 . 1 . . . . A 33 GLU C . 34890 1 405 . 1 . 1 53 53 GLU CA C 13 59.410 0.400 . 1 . . . . A 33 GLU CA . 34890 1 406 . 1 . 1 53 53 GLU CB C 13 29.410 0.400 . 1 . . . . A 33 GLU CB . 34890 1 407 . 1 . 1 53 53 GLU CG C 13 36.285 0.400 . 1 . . . . A 33 GLU CG . 34890 1 408 . 1 . 1 53 53 GLU N N 15 114.828 0.400 . 1 . . . . A 33 GLU N . 34890 1 409 . 1 . 1 54 54 LYS H H 1 7.848 0.020 . 1 . . . . A 34 LYS H . 34890 1 410 . 1 . 1 54 54 LYS HA H 1 3.960 0.020 . 1 . . . . A 34 LYS HA . 34890 1 411 . 1 . 1 54 54 LYS HB2 H 1 1.845 0.020 . 2 . . . . A 34 LYS HB2 . 34890 1 412 . 1 . 1 54 54 LYS HB3 H 1 1.845 0.020 . 2 . . . . A 34 LYS HB3 . 34890 1 413 . 1 . 1 54 54 LYS HG2 H 1 1.487 0.020 . 2 . . . . A 34 LYS HG2 . 34890 1 414 . 1 . 1 54 54 LYS HG3 H 1 1.412 0.020 . 2 . . . . A 34 LYS HG3 . 34890 1 415 . 1 . 1 54 54 LYS HD2 H 1 1.843 0.020 . 2 . . . . A 34 LYS HD2 . 34890 1 416 . 1 . 1 54 54 LYS HD3 H 1 1.843 0.020 . 2 . . . . A 34 LYS HD3 . 34890 1 417 . 1 . 1 54 54 LYS C C 13 179.762 0.400 . 1 . . . . A 34 LYS C . 34890 1 418 . 1 . 1 54 54 LYS CA C 13 60.035 0.400 . 1 . . . . A 34 LYS CA . 34890 1 419 . 1 . 1 54 54 LYS CB C 13 32.535 0.400 . 1 . . . . A 34 LYS CB . 34890 1 420 . 1 . 1 54 54 LYS CG C 13 25.035 0.400 . 1 . . . . A 34 LYS CG . 34890 1 421 . 1 . 1 54 54 LYS CD C 13 29.410 0.400 . 1 . . . . A 34 LYS CD . 34890 1 422 . 1 . 1 54 54 LYS CE C 13 41.910 0.400 . 1 . . . . A 34 LYS CE . 34890 1 423 . 1 . 1 54 54 LYS N N 15 119.798 0.400 . 1 . . . . A 34 LYS N . 34890 1 424 . 1 . 1 55 55 CYS H H 1 9.118 0.020 . 1 . . . . A 35 CYS H . 34890 1 425 . 1 . 1 55 55 CYS HA H 1 4.036 0.020 . 1 . . . . A 35 CYS HA . 34890 1 426 . 1 . 1 55 55 CYS HB2 H 1 2.647 0.020 . 2 . . . . A 35 CYS HB2 . 34890 1 427 . 1 . 1 55 55 CYS HB3 H 1 2.919 0.020 . 2 . . . . A 35 CYS HB3 . 34890 1 428 . 1 . 1 55 55 CYS C C 13 177.563 0.400 . 1 . . . . A 35 CYS C . 34890 1 429 . 1 . 1 55 55 CYS CA C 13 66.285 0.400 . 1 . . . . A 35 CYS CA . 34890 1 430 . 1 . 1 55 55 CYS CB C 13 29.410 0.400 . 1 . . . . A 35 CYS CB . 34890 1 431 . 1 . 1 55 55 CYS N N 15 122.515 0.400 . 1 . . . . A 35 CYS N . 34890 1 432 . 1 . 1 56 56 GLN H H 1 7.951 0.020 . 1 . . . . A 36 GLN H . 34890 1 433 . 1 . 1 56 56 GLN HA H 1 3.645 0.020 . 1 . . . . A 36 GLN HA . 34890 1 434 . 1 . 1 56 56 GLN HB2 H 1 2.077 0.020 . 2 . . . . A 36 GLN HB2 . 34890 1 435 . 1 . 1 56 56 GLN HB3 H 1 2.077 0.020 . 2 . . . . A 36 GLN HB3 . 34890 1 436 . 1 . 1 56 56 GLN HG2 H 1 2.309 0.020 . 2 . . . . A 36 GLN HG2 . 34890 1 437 . 1 . 1 56 56 GLN HG3 H 1 2.309 0.020 . 2 . . . . A 36 GLN HG3 . 34890 1 438 . 1 . 1 56 56 GLN HE21 H 1 7.505 0.020 . 2 . . . . A 36 GLN HE21 . 34890 1 439 . 1 . 1 56 56 GLN HE22 H 1 6.753 0.020 . 2 . . . . A 36 GLN HE22 . 34890 1 440 . 1 . 1 56 56 GLN C C 13 179.557 0.400 . 1 . . . . A 36 GLN C . 34890 1 441 . 1 . 1 56 56 GLN CA C 13 60.035 0.400 . 1 . . . . A 36 GLN CA . 34890 1 442 . 1 . 1 56 56 GLN CB C 13 28.160 0.400 . 1 . . . . A 36 GLN CB . 34890 1 443 . 1 . 1 56 56 GLN CG C 13 33.160 0.400 . 1 . . . . A 36 GLN CG . 34890 1 444 . 1 . 1 56 56 GLN N N 15 117.980 0.400 . 1 . . . . A 36 GLN N . 34890 1 445 . 1 . 1 57 57 VAL H H 1 8.068 0.020 . 1 . . . . A 37 VAL H . 34890 1 446 . 1 . 1 57 57 VAL HA H 1 3.647 0.020 . 1 . . . . A 37 VAL HA . 34890 1 447 . 1 . 1 57 57 VAL HB H 1 2.109 0.020 . 1 . . . . A 37 VAL HB . 34890 1 448 . 1 . 1 57 57 VAL HG11 H 1 1.044 0.020 . 2 . . . . A 37 VAL HG11 . 34890 1 449 . 1 . 1 57 57 VAL HG12 H 1 1.044 0.020 . 2 . . . . A 37 VAL HG12 . 34890 1 450 . 1 . 1 57 57 VAL HG13 H 1 1.044 0.020 . 2 . . . . A 37 VAL HG13 . 34890 1 451 . 1 . 1 57 57 VAL HG21 H 1 0.900 0.020 . 2 . . . . A 37 VAL HG21 . 34890 1 452 . 1 . 1 57 57 VAL HG22 H 1 0.900 0.020 . 2 . . . . A 37 VAL HG22 . 34890 1 453 . 1 . 1 57 57 VAL HG23 H 1 0.900 0.020 . 2 . . . . A 37 VAL HG23 . 34890 1 454 . 1 . 1 57 57 VAL C C 13 179.102 0.400 . 1 . . . . A 37 VAL C . 34890 1 455 . 1 . 1 57 57 VAL CA C 13 66.285 0.400 . 1 . . . . A 37 VAL CA . 34890 1 456 . 1 . 1 57 57 VAL CB C 13 31.910 0.400 . 1 . . . . A 37 VAL CB . 34890 1 457 . 1 . 1 57 57 VAL CG1 C 13 22.535 0.400 . 2 . . . . A 37 VAL CG1 . 34890 1 458 . 1 . 1 57 57 VAL CG2 C 13 21.019 0.400 . 2 . . . . A 37 VAL CG2 . 34890 1 459 . 1 . 1 57 57 VAL N N 15 119.771 0.400 . 1 . . . . A 37 VAL N . 34890 1 460 . 1 . 1 58 58 GLU H H 1 8.115 0.020 . 1 . . . . A 38 GLU H . 34890 1 461 . 1 . 1 58 58 GLU HA H 1 4.286 0.020 . 1 . . . . A 38 GLU HA . 34890 1 462 . 1 . 1 58 58 GLU HB2 H 1 2.013 0.020 . 2 . . . . A 38 GLU HB2 . 34890 1 463 . 1 . 1 58 58 GLU HB3 H 1 1.918 0.020 . 2 . . . . A 38 GLU HB3 . 34890 1 464 . 1 . 1 58 58 GLU HG2 H 1 2.258 0.020 . 2 . . . . A 38 GLU HG2 . 34890 1 465 . 1 . 1 58 58 GLU HG3 H 1 2.334 0.020 . 2 . . . . A 38 GLU HG3 . 34890 1 466 . 1 . 1 58 58 GLU C C 13 178.888 0.400 . 1 . . . . A 38 GLU C . 34890 1 467 . 1 . 1 58 58 GLU CA C 13 58.785 0.400 . 1 . . . . A 38 GLU CA . 34890 1 468 . 1 . 1 58 58 GLU CB C 13 29.410 0.400 . 1 . . . . A 38 GLU CB . 34890 1 469 . 1 . 1 58 58 GLU CG C 13 35.660 0.400 . 1 . . . . A 38 GLU CG . 34890 1 470 . 1 . 1 58 58 GLU N N 15 121.825 0.400 . 1 . . . . A 38 GLU N . 34890 1 471 . 1 . 1 59 59 LEU H H 1 8.993 0.020 . 1 . . . . A 39 LEU H . 34890 1 472 . 1 . 1 59 59 LEU HA H 1 4.041 0.020 . 1 . . . . A 39 LEU HA . 34890 1 473 . 1 . 1 59 59 LEU HB2 H 1 1.934 0.020 . 2 . . . . A 39 LEU HB2 . 34890 1 474 . 1 . 1 59 59 LEU HB3 H 1 1.767 0.020 . 2 . . . . A 39 LEU HB3 . 34890 1 475 . 1 . 1 59 59 LEU HG H 1 1.674 0.020 . 1 . . . . A 39 LEU HG . 34890 1 476 . 1 . 1 59 59 LEU HD11 H 1 1.005 0.020 . 2 . . . . A 39 LEU HD11 . 34890 1 477 . 1 . 1 59 59 LEU HD12 H 1 1.005 0.020 . 2 . . . . A 39 LEU HD12 . 34890 1 478 . 1 . 1 59 59 LEU HD13 H 1 1.005 0.020 . 2 . . . . A 39 LEU HD13 . 34890 1 479 . 1 . 1 59 59 LEU HD21 H 1 1.056 0.020 . 2 . . . . A 39 LEU HD21 . 34890 1 480 . 1 . 1 59 59 LEU HD22 H 1 1.056 0.020 . 2 . . . . A 39 LEU HD22 . 34890 1 481 . 1 . 1 59 59 LEU HD23 H 1 1.056 0.020 . 2 . . . . A 39 LEU HD23 . 34890 1 482 . 1 . 1 59 59 LEU C C 13 178.418 0.400 . 1 . . . . A 39 LEU C . 34890 1 483 . 1 . 1 59 59 LEU CA C 13 58.160 0.400 . 1 . . . . A 39 LEU CA . 34890 1 484 . 1 . 1 59 59 LEU CB C 13 41.285 0.400 . 1 . . . . A 39 LEU CB . 34890 1 485 . 1 . 1 59 59 LEU CD1 C 13 26.910 0.400 . 2 . . . . A 39 LEU CD1 . 34890 1 486 . 1 . 1 59 59 LEU N N 15 120.949 0.400 . 1 . . . . A 39 LEU N . 34890 1 487 . 1 . 1 60 60 THR H H 1 7.704 0.020 . 1 . . . . A 40 THR H . 34890 1 488 . 1 . 1 60 60 THR HA H 1 4.292 0.020 . 1 . . . . A 40 THR HA . 34890 1 489 . 1 . 1 60 60 THR HB H 1 3.760 0.020 . 1 . . . . A 40 THR HB . 34890 1 490 . 1 . 1 60 60 THR HG21 H 1 1.192 0.020 . 1 . . . . A 40 THR HG21 . 34890 1 491 . 1 . 1 60 60 THR HG22 H 1 1.192 0.020 . 1 . . . . A 40 THR HG22 . 34890 1 492 . 1 . 1 60 60 THR HG23 H 1 1.192 0.020 . 1 . . . . A 40 THR HG23 . 34890 1 493 . 1 . 1 60 60 THR C C 13 176.070 0.400 . 1 . . . . A 40 THR C . 34890 1 494 . 1 . 1 60 60 THR CA C 13 66.910 0.400 . 1 . . . . A 40 THR CA . 34890 1 495 . 1 . 1 60 60 THR CB C 13 68.785 0.400 . 1 . . . . A 40 THR CB . 34890 1 496 . 1 . 1 60 60 THR CG2 C 13 21.286 0.400 . 1 . . . . A 40 THR CG2 . 34890 1 497 . 1 . 1 60 60 THR N N 15 127.553 0.400 . 1 . . . . A 40 THR N . 34890 1 498 . 1 . 1 61 61 ARG H H 1 7.552 0.020 . 1 . . . . A 41 ARG H . 34890 1 499 . 1 . 1 61 61 ARG HA H 1 4.005 0.020 . 1 . . . . A 41 ARG HA . 34890 1 500 . 1 . 1 61 61 ARG HB2 H 1 1.816 0.020 . 2 . . . . A 41 ARG HB2 . 34890 1 501 . 1 . 1 61 61 ARG HB3 H 1 2.016 0.020 . 2 . . . . A 41 ARG HB3 . 34890 1 502 . 1 . 1 61 61 ARG HG2 H 1 1.647 0.020 . 2 . . . . A 41 ARG HG2 . 34890 1 503 . 1 . 1 61 61 ARG HG3 H 1 1.647 0.020 . 2 . . . . A 41 ARG HG3 . 34890 1 504 . 1 . 1 61 61 ARG C C 13 179.021 0.400 . 1 . . . . A 41 ARG C . 34890 1 505 . 1 . 1 61 61 ARG CA C 13 59.410 0.400 . 1 . . . . A 41 ARG CA . 34890 1 506 . 1 . 1 61 61 ARG CB C 13 30.035 0.400 . 1 . . . . A 41 ARG CB . 34890 1 507 . 1 . 1 61 61 ARG CG C 13 27.639 0.400 . 1 . . . . A 41 ARG CG . 34890 1 508 . 1 . 1 61 61 ARG N N 15 121.390 0.400 . 1 . . . . A 41 ARG N . 34890 1 509 . 1 . 1 62 62 LEU H H 1 8.261 0.020 . 1 . . . . A 42 LEU H . 34890 1 510 . 1 . 1 62 62 LEU HA H 1 3.985 0.020 . 1 . . . . A 42 LEU HA . 34890 1 511 . 1 . 1 62 62 LEU HB2 H 1 1.880 0.020 . 2 . . . . A 42 LEU HB2 . 34890 1 512 . 1 . 1 62 62 LEU HB3 H 1 1.880 0.020 . 2 . . . . A 42 LEU HB3 . 34890 1 513 . 1 . 1 62 62 LEU HG H 1 1.428 0.020 . 1 . . . . A 42 LEU HG . 34890 1 514 . 1 . 1 62 62 LEU HD11 H 1 0.748 0.020 . 2 . . . . A 42 LEU HD11 . 34890 1 515 . 1 . 1 62 62 LEU HD12 H 1 0.748 0.020 . 2 . . . . A 42 LEU HD12 . 34890 1 516 . 1 . 1 62 62 LEU HD13 H 1 0.748 0.020 . 2 . . . . A 42 LEU HD13 . 34890 1 517 . 1 . 1 62 62 LEU HD21 H 1 0.748 0.020 . 2 . . . . A 42 LEU HD21 . 34890 1 518 . 1 . 1 62 62 LEU HD22 H 1 0.748 0.020 . 2 . . . . A 42 LEU HD22 . 34890 1 519 . 1 . 1 62 62 LEU HD23 H 1 0.748 0.020 . 2 . . . . A 42 LEU HD23 . 34890 1 520 . 1 . 1 62 62 LEU C C 13 179.624 0.400 . 1 . . . . A 42 LEU C . 34890 1 521 . 1 . 1 62 62 LEU CA C 13 57.535 0.400 . 1 . . . . A 42 LEU CA . 34890 1 522 . 1 . 1 62 62 LEU CB C 13 41.910 0.400 . 1 . . . . A 42 LEU CB . 34890 1 523 . 1 . 1 62 62 LEU N N 15 119.916 0.400 . 1 . . . . A 42 LEU N . 34890 1 524 . 1 . 1 63 63 LEU H H 1 8.173 0.020 . 1 . . . . A 43 LEU H . 34890 1 525 . 1 . 1 63 63 LEU HA H 1 4.165 0.020 . 1 . . . . A 43 LEU HA . 34890 1 526 . 1 . 1 63 63 LEU HB2 H 1 1.745 0.020 . 2 . . . . A 43 LEU HB2 . 34890 1 527 . 1 . 1 63 63 LEU HB3 H 1 1.745 0.020 . 2 . . . . A 43 LEU HB3 . 34890 1 528 . 1 . 1 63 63 LEU HG H 1 1.509 0.020 . 1 . . . . A 43 LEU HG . 34890 1 529 . 1 . 1 63 63 LEU HD11 H 1 0.766 0.020 . 2 . . . . A 43 LEU HD11 . 34890 1 530 . 1 . 1 63 63 LEU HD12 H 1 0.766 0.020 . 2 . . . . A 43 LEU HD12 . 34890 1 531 . 1 . 1 63 63 LEU HD13 H 1 0.766 0.020 . 2 . . . . A 43 LEU HD13 . 34890 1 532 . 1 . 1 63 63 LEU HD21 H 1 0.766 0.020 . 2 . . . . A 43 LEU HD21 . 34890 1 533 . 1 . 1 63 63 LEU HD22 H 1 0.766 0.020 . 2 . . . . A 43 LEU HD22 . 34890 1 534 . 1 . 1 63 63 LEU HD23 H 1 0.766 0.020 . 2 . . . . A 43 LEU HD23 . 34890 1 535 . 1 . 1 63 63 LEU C C 13 178.027 0.400 . 1 . . . . A 43 LEU C . 34890 1 536 . 1 . 1 63 63 LEU CA C 13 56.285 0.400 . 1 . . . . A 43 LEU CA . 34890 1 537 . 1 . 1 63 63 LEU CB C 13 41.910 0.400 . 1 . . . . A 43 LEU CB . 34890 1 538 . 1 . 1 63 63 LEU N N 15 117.607 0.400 . 1 . . . . A 43 LEU N . 34890 1 539 . 1 . 1 64 64 GLN H H 1 7.775 0.020 . 1 . . . . A 44 GLN H . 34890 1 540 . 1 . 1 64 64 GLN HA H 1 4.091 0.020 . 1 . . . . A 44 GLN HA . 34890 1 541 . 1 . 1 64 64 GLN HB2 H 1 2.102 0.020 . 2 . . . . A 44 GLN HB2 . 34890 1 542 . 1 . 1 64 64 GLN HB3 H 1 2.102 0.020 . 2 . . . . A 44 GLN HB3 . 34890 1 543 . 1 . 1 64 64 GLN HG2 H 1 2.388 0.020 . 2 . . . . A 44 GLN HG2 . 34890 1 544 . 1 . 1 64 64 GLN HG3 H 1 2.300 0.020 . 2 . . . . A 44 GLN HG3 . 34890 1 545 . 1 . 1 64 64 GLN HE21 H 1 7.416 0.020 . 2 . . . . A 44 GLN HE21 . 34890 1 546 . 1 . 1 64 64 GLN C C 13 177.053 0.400 . 1 . . . . A 44 GLN C . 34890 1 547 . 1 . 1 64 64 GLN CA C 13 56.910 0.400 . 1 . . . . A 44 GLN CA . 34890 1 548 . 1 . 1 64 64 GLN CB C 13 28.160 0.400 . 1 . . . . A 44 GLN CB . 34890 1 549 . 1 . 1 64 64 GLN CG C 13 34.410 0.400 . 1 . . . . A 44 GLN CG . 34890 1 550 . 1 . 1 64 64 GLN N N 15 117.338 0.400 . 1 . . . . A 44 GLN N . 34890 1 551 . 1 . 1 65 65 LEU H H 1 7.791 0.020 . 1 . . . . A 45 LEU H . 34890 1 552 . 1 . 1 65 65 LEU HA H 1 4.152 0.020 . 1 . . . . A 45 LEU HA . 34890 1 553 . 1 . 1 65 65 LEU HB2 H 1 1.513 0.020 . 2 . . . . A 45 LEU HB2 . 34890 1 554 . 1 . 1 65 65 LEU HB3 H 1 1.513 0.020 . 2 . . . . A 45 LEU HB3 . 34890 1 555 . 1 . 1 65 65 LEU HG H 1 1.688 0.020 . 1 . . . . A 45 LEU HG . 34890 1 556 . 1 . 1 65 65 LEU HD11 H 1 0.814 0.020 . 2 . . . . A 45 LEU HD11 . 34890 1 557 . 1 . 1 65 65 LEU HD12 H 1 0.814 0.020 . 2 . . . . A 45 LEU HD12 . 34890 1 558 . 1 . 1 65 65 LEU HD13 H 1 0.814 0.020 . 2 . . . . A 45 LEU HD13 . 34890 1 559 . 1 . 1 65 65 LEU HD21 H 1 0.760 0.020 . 2 . . . . A 45 LEU HD21 . 34890 1 560 . 1 . 1 65 65 LEU HD22 H 1 0.760 0.020 . 2 . . . . A 45 LEU HD22 . 34890 1 561 . 1 . 1 65 65 LEU HD23 H 1 0.760 0.020 . 2 . . . . A 45 LEU HD23 . 34890 1 562 . 1 . 1 65 65 LEU C C 13 177.850 0.400 . 1 . . . . A 45 LEU C . 34890 1 563 . 1 . 1 65 65 LEU CA C 13 56.285 0.400 . 1 . . . . A 45 LEU CA . 34890 1 564 . 1 . 1 65 65 LEU CB C 13 41.910 0.400 . 1 . . . . A 45 LEU CB . 34890 1 565 . 1 . 1 65 65 LEU N N 15 119.326 0.400 . 1 . . . . A 45 LEU N . 34890 1 566 . 1 . 1 66 66 ASP H H 1 8.158 0.020 . 1 . . . . A 46 ASP H . 34890 1 567 . 1 . 1 66 66 ASP HA H 1 4.450 0.020 . 1 . . . . A 46 ASP HA . 34890 1 568 . 1 . 1 66 66 ASP HB2 H 1 2.640 0.020 . 2 . . . . A 46 ASP HB2 . 34890 1 569 . 1 . 1 66 66 ASP HB3 H 1 2.640 0.020 . 2 . . . . A 46 ASP HB3 . 34890 1 570 . 1 . 1 66 66 ASP C C 13 176.869 0.400 . 1 . . . . A 46 ASP C . 34890 1 571 . 1 . 1 66 66 ASP CA C 13 55.035 0.400 . 1 . . . . A 46 ASP CA . 34890 1 572 . 1 . 1 66 66 ASP CB C 13 40.660 0.400 . 1 . . . . A 46 ASP CB . 34890 1 573 . 1 . 1 66 66 ASP N N 15 119.118 0.400 . 1 . . . . A 46 ASP N . 34890 1 574 . 1 . 1 67 67 GLN H H 1 8.062 0.020 . 1 . . . . A 47 GLN H . 34890 1 575 . 1 . 1 67 67 GLN HA H 1 4.101 0.020 . 1 . . . . A 47 GLN HA . 34890 1 576 . 1 . 1 67 67 GLN HB2 H 1 2.078 0.020 . 2 . . . . A 47 GLN HB2 . 34890 1 577 . 1 . 1 67 67 GLN HB3 H 1 1.921 0.020 . 2 . . . . A 47 GLN HB3 . 34890 1 578 . 1 . 1 67 67 GLN HG2 H 1 2.254 0.020 . 2 . . . . A 47 GLN HG2 . 34890 1 579 . 1 . 1 67 67 GLN HG3 H 1 2.295 0.020 . 2 . . . . A 47 GLN HG3 . 34890 1 580 . 1 . 1 67 67 GLN HE21 H 1 7.421 0.020 . 2 . . . . A 47 GLN HE21 . 34890 1 581 . 1 . 1 67 67 GLN HE22 H 1 6.736 0.020 . 2 . . . . A 47 GLN HE22 . 34890 1 582 . 1 . 1 67 67 GLN C C 13 176.674 0.400 . 1 . . . . A 47 GLN C . 34890 1 583 . 1 . 1 67 67 GLN CA C 13 56.910 0.400 . 1 . . . . A 47 GLN CA . 34890 1 584 . 1 . 1 67 67 GLN CB C 13 28.785 0.400 . 1 . . . . A 47 GLN CB . 34890 1 585 . 1 . 1 67 67 GLN CG C 13 33.785 0.400 . 1 . . . . A 47 GLN CG . 34890 1 586 . 1 . 1 67 67 GLN N N 15 118.678 0.400 . 1 . . . . A 47 GLN N . 34890 1 587 . 1 . 1 68 68 LEU H H 1 7.993 0.020 . 1 . . . . A 48 LEU H . 34890 1 588 . 1 . 1 68 68 LEU HA H 1 4.196 0.020 . 1 . . . . A 48 LEU HA . 34890 1 589 . 1 . 1 68 68 LEU HB2 H 1 1.632 0.020 . 2 . . . . A 48 LEU HB2 . 34890 1 590 . 1 . 1 68 68 LEU HB3 H 1 1.494 0.020 . 2 . . . . A 48 LEU HB3 . 34890 1 591 . 1 . 1 68 68 LEU HG H 1 1.548 0.020 . 1 . . . . A 48 LEU HG . 34890 1 592 . 1 . 1 68 68 LEU HD11 H 1 0.731 0.020 . 2 . . . . A 48 LEU HD11 . 34890 1 593 . 1 . 1 68 68 LEU HD12 H 1 0.731 0.020 . 2 . . . . A 48 LEU HD12 . 34890 1 594 . 1 . 1 68 68 LEU HD13 H 1 0.731 0.020 . 2 . . . . A 48 LEU HD13 . 34890 1 595 . 1 . 1 68 68 LEU HD21 H 1 0.731 0.020 . 2 . . . . A 48 LEU HD21 . 34890 1 596 . 1 . 1 68 68 LEU HD22 H 1 0.731 0.020 . 2 . . . . A 48 LEU HD22 . 34890 1 597 . 1 . 1 68 68 LEU HD23 H 1 0.731 0.020 . 2 . . . . A 48 LEU HD23 . 34890 1 598 . 1 . 1 68 68 LEU C C 13 178.144 0.400 . 1 . . . . A 48 LEU C . 34890 1 599 . 1 . 1 68 68 LEU CA C 13 55.660 0.400 . 1 . . . . A 48 LEU CA . 34890 1 600 . 1 . 1 68 68 LEU CB C 13 41.910 0.400 . 1 . . . . A 48 LEU CB . 34890 1 601 . 1 . 1 68 68 LEU CG C 13 26.910 0.400 . 1 . . . . A 48 LEU CG . 34890 1 602 . 1 . 1 68 68 LEU N N 15 120.371 0.400 . 1 . . . . A 48 LEU N . 34890 1 603 . 1 . 1 69 69 GLY H H 1 8.167 0.020 . 1 . . . . A 49 GLY H . 34890 1 604 . 1 . 1 69 69 GLY HA2 H 1 3.876 0.020 . 2 . . . . A 49 GLY HA2 . 34890 1 605 . 1 . 1 69 69 GLY HA3 H 1 3.839 0.020 . 2 . . . . A 49 GLY HA3 . 34890 1 606 . 1 . 1 69 69 GLY C C 13 174.521 0.400 . 1 . . . . A 49 GLY C . 34890 1 607 . 1 . 1 69 69 GLY CA C 13 45.660 0.400 . 1 . . . . A 49 GLY CA . 34890 1 608 . 1 . 1 69 69 GLY N N 15 122.995 0.400 . 1 . . . . A 49 GLY N . 34890 1 609 . 1 . 1 70 70 ARG H H 1 8.134 0.020 . 1 . . . . A 50 ARG H . 34890 1 610 . 1 . 1 70 70 ARG HA H 1 4.135 0.020 . 1 . . . . A 50 ARG HA . 34890 1 611 . 1 . 1 70 70 ARG HB2 H 1 1.658 0.020 . 2 . . . . A 50 ARG HB2 . 34890 1 612 . 1 . 1 70 70 ARG HB3 H 1 1.734 0.020 . 2 . . . . A 50 ARG HB3 . 34890 1 613 . 1 . 1 70 70 ARG HG2 H 1 1.494 0.020 . 2 . . . . A 50 ARG HG2 . 34890 1 614 . 1 . 1 70 70 ARG HG3 H 1 1.494 0.020 . 2 . . . . A 50 ARG HG3 . 34890 1 615 . 1 . 1 70 70 ARG HD2 H 1 3.053 0.020 . 2 . . . . A 50 ARG HD2 . 34890 1 616 . 1 . 1 70 70 ARG HD3 H 1 3.053 0.020 . 2 . . . . A 50 ARG HD3 . 34890 1 617 . 1 . 1 70 70 ARG C C 13 177.037 0.400 . 1 . . . . A 50 ARG C . 34890 1 618 . 1 . 1 70 70 ARG CA C 13 56.910 0.400 . 1 . . . . A 50 ARG CA . 34890 1 619 . 1 . 1 70 70 ARG CB C 13 30.035 0.400 . 1 . . . . A 50 ARG CB . 34890 1 620 . 1 . 1 70 70 ARG CG C 13 26.910 0.400 . 1 . . . . A 50 ARG CG . 34890 1 621 . 1 . 1 70 70 ARG CD C 13 43.160 0.400 . 1 . . . . A 50 ARG CD . 34890 1 622 . 1 . 1 70 70 ARG N N 15 120.095 0.400 . 1 . . . . A 50 ARG N . 34890 1 623 . 1 . 1 71 71 GLY H H 1 8.372 0.020 . 1 . . . . A 51 GLY H . 34890 1 624 . 1 . 1 71 71 GLY HA2 H 1 3.797 0.020 . 2 . . . . A 51 GLY HA2 . 34890 1 625 . 1 . 1 71 71 GLY HA3 H 1 3.797 0.020 . 2 . . . . A 51 GLY HA3 . 34890 1 626 . 1 . 1 71 71 GLY C C 13 174.089 0.400 . 1 . . . . A 51 GLY C . 34890 1 627 . 1 . 1 71 71 GLY CA C 13 45.660 0.400 . 1 . . . . A 51 GLY CA . 34890 1 628 . 1 . 1 71 71 GLY N N 15 122.987 0.400 . 1 . . . . A 51 GLY N . 34890 1 629 . 1 . 1 72 72 TYR H H 1 7.870 0.020 . 1 . . . . A 52 TYR H . 34890 1 630 . 1 . 1 72 72 TYR HA H 1 4.324 0.020 . 1 . . . . A 52 TYR HA . 34890 1 631 . 1 . 1 72 72 TYR HB2 H 1 2.891 0.020 . 2 . . . . A 52 TYR HB2 . 34890 1 632 . 1 . 1 72 72 TYR HB3 H 1 2.891 0.020 . 2 . . . . A 52 TYR HB3 . 34890 1 633 . 1 . 1 72 72 TYR HD1 H 1 6.921 0.020 . 1 . . . . A 52 TYR HD1 . 34890 1 634 . 1 . 1 72 72 TYR HD2 H 1 6.921 0.020 . 1 . . . . A 52 TYR HD2 . 34890 1 635 . 1 . 1 72 72 TYR HE1 H 1 6.653 0.020 . 1 . . . . A 52 TYR HE1 . 34890 1 636 . 1 . 1 72 72 TYR HE2 H 1 6.653 0.020 . 1 . . . . A 52 TYR HE2 . 34890 1 637 . 1 . 1 72 72 TYR C C 13 175.996 0.400 . 1 . . . . A 52 TYR C . 34890 1 638 . 1 . 1 72 72 TYR CA C 13 58.785 0.400 . 1 . . . . A 52 TYR CA . 34890 1 639 . 1 . 1 72 72 TYR CB C 13 38.785 0.400 . 1 . . . . A 52 TYR CB . 34890 1 640 . 1 . 1 72 72 TYR N N 15 120.140 0.400 . 1 . . . . A 52 TYR N . 34890 1 641 . 1 . 1 73 73 ILE H H 1 7.824 0.020 . 1 . . . . A 53 ILE H . 34890 1 642 . 1 . 1 73 73 ILE HA H 1 3.890 0.020 . 1 . . . . A 53 ILE HA . 34890 1 643 . 1 . 1 73 73 ILE HB H 1 1.705 0.020 . 1 . . . . A 53 ILE HB . 34890 1 644 . 1 . 1 73 73 ILE HG12 H 1 1.370 0.020 . 2 . . . . A 53 ILE HG12 . 34890 1 645 . 1 . 1 73 73 ILE HG13 H 1 1.052 0.020 . 2 . . . . A 53 ILE HG13 . 34890 1 646 . 1 . 1 73 73 ILE HG21 H 1 1.212 0.020 . 1 . . . . A 53 ILE HG21 . 34890 1 647 . 1 . 1 73 73 ILE HG22 H 1 1.212 0.020 . 1 . . . . A 53 ILE HG22 . 34890 1 648 . 1 . 1 73 73 ILE HG23 H 1 1.212 0.020 . 1 . . . . A 53 ILE HG23 . 34890 1 649 . 1 . 1 73 73 ILE HD11 H 1 0.744 0.020 . 1 . . . . A 53 ILE HD11 . 34890 1 650 . 1 . 1 73 73 ILE HD12 H 1 0.744 0.020 . 1 . . . . A 53 ILE HD12 . 34890 1 651 . 1 . 1 73 73 ILE HD13 H 1 0.744 0.020 . 1 . . . . A 53 ILE HD13 . 34890 1 652 . 1 . 1 73 73 ILE C C 13 176.173 0.400 . 1 . . . . A 53 ILE C . 34890 1 653 . 1 . 1 73 73 ILE CA C 13 61.285 0.400 . 1 . . . . A 53 ILE CA . 34890 1 654 . 1 . 1 73 73 ILE CB C 13 38.160 0.400 . 1 . . . . A 53 ILE CB . 34890 1 655 . 1 . 1 73 73 ILE CG1 C 13 26.910 0.400 . 1 . . . . A 53 ILE CG1 . 34890 1 656 . 1 . 1 73 73 ILE CG2 C 13 17.536 0.400 . 1 . . . . A 53 ILE CG2 . 34890 1 657 . 1 . 1 73 73 ILE N N 15 121.682 0.400 . 1 . . . . A 53 ILE N . 34890 1 658 . 1 . 1 74 74 GLU H H 1 8.225 0.020 . 1 . . . . A 54 GLU H . 34890 1 659 . 1 . 1 74 74 GLU HA H 1 4.054 0.020 . 1 . . . . A 54 GLU HA . 34890 1 660 . 1 . 1 74 74 GLU HB2 H 1 1.869 0.020 . 2 . . . . A 54 GLU HB2 . 34890 1 661 . 1 . 1 74 74 GLU HB3 H 1 1.857 0.020 . 2 . . . . A 54 GLU HB3 . 34890 1 662 . 1 . 1 74 74 GLU HG2 H 1 2.162 0.020 . 2 . . . . A 54 GLU HG2 . 34890 1 663 . 1 . 1 74 74 GLU HG3 H 1 2.106 0.020 . 2 . . . . A 54 GLU HG3 . 34890 1 664 . 1 . 1 74 74 GLU C C 13 176.393 0.400 . 1 . . . . A 54 GLU C . 34890 1 665 . 1 . 1 74 74 GLU CA C 13 56.910 0.400 . 1 . . . . A 54 GLU CA . 34890 1 666 . 1 . 1 74 74 GLU CB C 13 30.035 0.400 . 1 . . . . A 54 GLU CB . 34890 1 667 . 1 . 1 74 74 GLU CG C 13 36.285 0.400 . 1 . . . . A 54 GLU CG . 34890 1 668 . 1 . 1 74 74 GLU N N 15 123.440 0.400 . 1 . . . . A 54 GLU N . 34890 1 669 . 1 . 1 75 75 ARG H H 1 7.952 0.020 . 1 . . . . A 55 ARG H . 34890 1 670 . 1 . 1 75 75 ARG C C 13 175.969 0.400 . 1 . . . . A 55 ARG C . 34890 1 671 . 1 . 1 75 75 ARG CA C 13 56.910 0.400 . 1 . . . . A 55 ARG CA . 34890 1 672 . 1 . 1 75 75 ARG CB C 13 30.660 0.400 . 1 . . . . A 55 ARG CB . 34890 1 673 . 1 . 1 75 75 ARG N N 15 120.638 0.400 . 1 . . . . A 55 ARG N . 34890 1 674 . 1 . 1 76 76 HIS H H 1 8.268 0.020 . 1 . . . . A 56 HIS H . 34890 1 675 . 1 . 1 76 76 HIS HA H 1 4.595 0.020 . 1 . . . . A 56 HIS HA . 34890 1 676 . 1 . 1 76 76 HIS HB2 H 1 3.088 0.020 . 2 . . . . A 56 HIS HB2 . 34890 1 677 . 1 . 1 76 76 HIS HB3 H 1 2.875 0.020 . 2 . . . . A 56 HIS HB3 . 34890 1 678 . 1 . 1 76 76 HIS C C 13 175.063 0.400 . 1 . . . . A 56 HIS C . 34890 1 679 . 1 . 1 76 76 HIS CA C 13 55.660 0.400 . 1 . . . . A 56 HIS CA . 34890 1 680 . 1 . 1 76 76 HIS CB C 13 30.660 0.400 . 1 . . . . A 56 HIS CB . 34890 1 681 . 1 . 1 76 76 HIS N N 15 119.104 0.400 . 1 . . . . A 56 HIS N . 34890 1 682 . 1 . 1 77 77 GLY H H 1 8.081 0.020 . 1 . . . . A 57 GLY H . 34890 1 683 . 1 . 1 77 77 GLY HA2 H 1 4.015 0.020 . 2 . . . . A 57 GLY HA2 . 34890 1 684 . 1 . 1 77 77 GLY HA3 H 1 3.985 0.020 . 2 . . . . A 57 GLY HA3 . 34890 1 685 . 1 . 1 77 77 GLY C C 13 171.420 0.400 . 1 . . . . A 57 GLY C . 34890 1 686 . 1 . 1 77 77 GLY CA C 13 44.410 0.400 . 1 . . . . A 57 GLY CA . 34890 1 687 . 1 . 1 77 77 GLY N N 15 124.168 0.400 . 1 . . . . A 57 GLY N . 34890 1 688 . 1 . 1 78 78 PRO HA H 1 4.388 0.020 . 1 . . . . A 58 PRO HA . 34890 1 689 . 1 . 1 78 78 PRO HB2 H 1 2.147 0.020 . 2 . . . . A 58 PRO HB2 . 34890 1 690 . 1 . 1 78 78 PRO HB3 H 1 1.874 0.020 . 2 . . . . A 58 PRO HB3 . 34890 1 691 . 1 . 1 78 78 PRO HG2 H 1 2.142 0.020 . 2 . . . . A 58 PRO HG2 . 34890 1 692 . 1 . 1 78 78 PRO HG3 H 1 1.898 0.020 . 2 . . . . A 58 PRO HG3 . 34890 1 693 . 1 . 1 78 78 PRO C C 13 176.937 0.400 . 1 . . . . A 58 PRO C . 34890 1 694 . 1 . 1 78 78 PRO CA C 13 63.160 0.400 . 1 . . . . A 58 PRO CA . 34890 1 695 . 1 . 1 78 78 PRO CB C 13 31.910 0.400 . 1 . . . . A 58 PRO CB . 34890 1 696 . 1 . 1 78 78 PRO CG C 13 26.910 0.400 . 1 . . . . A 58 PRO CG . 34890 1 697 . 1 . 1 78 78 PRO CD C 13 49.410 0.400 . 1 . . . . A 58 PRO CD . 34890 1 698 . 1 . 1 79 79 VAL H H 1 8.107 0.020 . 1 . . . . A 59 VAL H . 34890 1 699 . 1 . 1 79 79 VAL HA H 1 4.062 0.020 . 1 . . . . A 59 VAL HA . 34890 1 700 . 1 . 1 79 79 VAL HB H 1 1.977 0.020 . 1 . . . . A 59 VAL HB . 34890 1 701 . 1 . 1 79 79 VAL HG11 H 1 0.801 0.020 . 2 . . . . A 59 VAL HG11 . 34890 1 702 . 1 . 1 79 79 VAL HG12 H 1 0.801 0.020 . 2 . . . . A 59 VAL HG12 . 34890 1 703 . 1 . 1 79 79 VAL HG13 H 1 0.801 0.020 . 2 . . . . A 59 VAL HG13 . 34890 1 704 . 1 . 1 79 79 VAL C C 13 175.414 0.400 . 1 . . . . A 59 VAL C . 34890 1 705 . 1 . 1 79 79 VAL CA C 13 61.910 0.400 . 1 . . . . A 59 VAL CA . 34890 1 706 . 1 . 1 79 79 VAL CB C 13 33.160 0.400 . 1 . . . . A 59 VAL CB . 34890 1 707 . 1 . 1 79 79 VAL CG1 C 13 20.661 0.400 . 2 . . . . A 59 VAL CG1 . 34890 1 708 . 1 . 1 79 79 VAL N N 15 118.865 0.400 . 1 . . . . A 59 VAL N . 34890 1 709 . 1 . 1 80 80 ASP H H 1 8.269 0.020 . 1 . . . . A 60 ASP H . 34890 1 710 . 1 . 1 80 80 ASP HA H 1 4.532 0.020 . 1 . . . . A 60 ASP HA . 34890 1 711 . 1 . 1 80 80 ASP HB2 H 1 2.567 0.020 . 2 . . . . A 60 ASP HB2 . 34890 1 712 . 1 . 1 80 80 ASP HB3 H 1 2.452 0.020 . 2 . . . . A 60 ASP HB3 . 34890 1 713 . 1 . 1 80 80 ASP C C 13 175.296 0.400 . 1 . . . . A 60 ASP C . 34890 1 714 . 1 . 1 80 80 ASP CA C 13 53.785 0.400 . 1 . . . . A 60 ASP CA . 34890 1 715 . 1 . 1 80 80 ASP CB C 13 40.660 0.400 . 1 . . . . A 60 ASP CB . 34890 1 716 . 1 . 1 80 80 ASP N N 15 123.532 0.400 . 1 . . . . A 60 ASP N . 34890 1 717 . 1 . 1 81 81 ILE H H 1 7.782 0.020 . 1 . . . . A 61 ILE H . 34890 1 718 . 1 . 1 81 81 ILE HA H 1 4.145 0.020 . 1 . . . . A 61 ILE HA . 34890 1 719 . 1 . 1 81 81 ILE HG12 H 1 1.411 0.020 . 2 . . . . A 61 ILE HG12 . 34890 1 720 . 1 . 1 81 81 ILE HG13 H 1 0.612 0.020 . 2 . . . . A 61 ILE HG13 . 34890 1 721 . 1 . 1 81 81 ILE HG21 H 1 0.883 0.020 . 1 . . . . A 61 ILE HG21 . 34890 1 722 . 1 . 1 81 81 ILE HG22 H 1 0.883 0.020 . 1 . . . . A 61 ILE HG22 . 34890 1 723 . 1 . 1 81 81 ILE HG23 H 1 0.883 0.020 . 1 . . . . A 61 ILE HG23 . 34890 1 724 . 1 . 1 81 81 ILE HD11 H 1 0.334 0.020 . 1 . . . . A 61 ILE HD11 . 34890 1 725 . 1 . 1 81 81 ILE HD12 H 1 0.334 0.020 . 1 . . . . A 61 ILE HD12 . 34890 1 726 . 1 . 1 81 81 ILE HD13 H 1 0.334 0.020 . 1 . . . . A 61 ILE HD13 . 34890 1 727 . 1 . 1 81 81 ILE C C 13 174.552 0.400 . 1 . . . . A 61 ILE C . 34890 1 728 . 1 . 1 81 81 ILE CA C 13 58.160 0.400 . 1 . . . . A 61 ILE CA . 34890 1 729 . 1 . 1 81 81 ILE CB C 13 38.785 0.400 . 1 . . . . A 61 ILE CB . 34890 1 730 . 1 . 1 81 81 ILE N N 15 122.105 0.400 . 1 . . . . A 61 ILE N . 34890 1 731 . 1 . 1 82 82 PRO HA H 1 4.383 0.020 . 1 . . . . A 62 PRO HA . 34890 1 732 . 1 . 1 82 82 PRO HB2 H 1 1.994 0.020 . 2 . . . . A 62 PRO HB2 . 34890 1 733 . 1 . 1 82 82 PRO HB3 H 1 1.608 0.020 . 2 . . . . A 62 PRO HB3 . 34890 1 734 . 1 . 1 82 82 PRO HG2 H 1 2.007 0.020 . 2 . . . . A 62 PRO HG2 . 34890 1 735 . 1 . 1 82 82 PRO HG3 H 1 2.007 0.020 . 2 . . . . A 62 PRO HG3 . 34890 1 736 . 1 . 1 82 82 PRO HD2 H 1 3.715 0.020 . 2 . . . . A 62 PRO HD2 . 34890 1 737 . 1 . 1 82 82 PRO HD3 H 1 3.715 0.020 . 2 . . . . A 62 PRO HD3 . 34890 1 738 . 1 . 1 82 82 PRO C C 13 176.452 0.400 . 1 . . . . A 62 PRO C . 34890 1 739 . 1 . 1 82 82 PRO CA C 13 62.535 0.400 . 1 . . . . A 62 PRO CA . 34890 1 740 . 1 . 1 82 82 PRO CB C 13 30.660 0.400 . 1 . . . . A 62 PRO CB . 34890 1 741 . 1 . 1 82 82 PRO CG C 13 26.910 0.400 . 1 . . . . A 62 PRO CG . 34890 1 742 . 1 . 1 83 83 TRP H H 1 7.867 0.020 . 1 . . . . A 63 TRP H . 34890 1 743 . 1 . 1 83 83 TRP HA H 1 4.270 0.020 . 1 . . . . A 63 TRP HA . 34890 1 744 . 1 . 1 83 83 TRP HB2 H 1 3.132 0.020 . 2 . . . . A 63 TRP HB2 . 34890 1 745 . 1 . 1 83 83 TRP HB3 H 1 3.132 0.020 . 2 . . . . A 63 TRP HB3 . 34890 1 746 . 1 . 1 83 83 TRP HD1 H 1 7.171 0.020 . 1 . . . . A 63 TRP HD1 . 34890 1 747 . 1 . 1 83 83 TRP HE1 H 1 10.116 0.020 . 1 . . . . A 63 TRP HE1 . 34890 1 748 . 1 . 1 83 83 TRP HE3 H 1 7.406 0.020 . 1 . . . . A 63 TRP HE3 . 34890 1 749 . 1 . 1 83 83 TRP HZ2 H 1 7.326 0.020 . 1 . . . . A 63 TRP HZ2 . 34890 1 750 . 1 . 1 83 83 TRP HZ3 H 1 6.965 0.020 . 1 . . . . A 63 TRP HZ3 . 34890 1 751 . 1 . 1 83 83 TRP HH2 H 1 7.056 0.020 . 1 . . . . A 63 TRP HH2 . 34890 1 752 . 1 . 1 83 83 TRP C C 13 176.509 0.400 . 1 . . . . A 63 TRP C . 34890 1 753 . 1 . 1 83 83 TRP CA C 13 58.785 0.400 . 1 . . . . A 63 TRP CA . 34890 1 754 . 1 . 1 83 83 TRP CB C 13 29.410 0.400 . 1 . . . . A 63 TRP CB . 34890 1 755 . 1 . 1 83 83 TRP N N 15 121.346 0.400 . 1 . . . . A 63 TRP N . 34890 1 756 . 1 . 1 84 84 HIS H H 1 7.632 0.020 . 1 . . . . A 64 HIS H . 34890 1 757 . 1 . 1 84 84 HIS HA H 1 4.268 0.020 . 1 . . . . A 64 HIS HA . 34890 1 758 . 1 . 1 84 84 HIS HB2 H 1 2.878 0.020 . 2 . . . . A 64 HIS HB2 . 34890 1 759 . 1 . 1 84 84 HIS HB3 H 1 2.749 0.020 . 2 . . . . A 64 HIS HB3 . 34890 1 760 . 1 . 1 84 84 HIS HD2 H 1 6.748 0.020 . 1 . . . . A 64 HIS HD2 . 34890 1 761 . 1 . 1 84 84 HIS C C 13 174.480 0.400 . 1 . . . . A 64 HIS C . 34890 1 762 . 1 . 1 84 84 HIS CA C 13 56.285 0.400 . 1 . . . . A 64 HIS CA . 34890 1 763 . 1 . 1 84 84 HIS CB C 13 30.035 0.400 . 1 . . . . A 64 HIS CB . 34890 1 764 . 1 . 1 84 84 HIS N N 15 117.529 0.400 . 1 . . . . A 64 HIS N . 34890 1 765 . 1 . 1 85 85 ALA H H 1 7.612 0.020 . 1 . . . . A 65 ALA H . 34890 1 766 . 1 . 1 85 85 ALA HA H 1 4.160 0.020 . 1 . . . . A 65 ALA HA . 34890 1 767 . 1 . 1 85 85 ALA HB1 H 1 1.136 0.020 . 1 . . . . A 65 ALA HB1 . 34890 1 768 . 1 . 1 85 85 ALA HB2 H 1 1.136 0.020 . 1 . . . . A 65 ALA HB2 . 34890 1 769 . 1 . 1 85 85 ALA HB3 H 1 1.136 0.020 . 1 . . . . A 65 ALA HB3 . 34890 1 770 . 1 . 1 85 85 ALA C C 13 176.865 0.400 . 1 . . . . A 65 ALA C . 34890 1 771 . 1 . 1 85 85 ALA CA C 13 51.910 0.400 . 1 . . . . A 65 ALA CA . 34890 1 772 . 1 . 1 85 85 ALA CB C 13 19.411 0.400 . 1 . . . . A 65 ALA CB . 34890 1 773 . 1 . 1 85 85 ALA N N 15 123.493 0.400 . 1 . . . . A 65 ALA N . 34890 1 774 . 1 . 1 86 86 LEU H H 1 7.622 0.020 . 1 . . . . A 66 LEU H . 34890 1 775 . 1 . 1 86 86 LEU HA H 1 4.379 0.020 . 1 . . . . A 66 LEU HA . 34890 1 776 . 1 . 1 86 86 LEU HB2 H 1 1.422 0.020 . 2 . . . . A 66 LEU HB2 . 34890 1 777 . 1 . 1 86 86 LEU HB3 H 1 1.562 0.020 . 2 . . . . A 66 LEU HB3 . 34890 1 778 . 1 . 1 86 86 LEU HD11 H 1 0.643 0.020 . 2 . . . . A 66 LEU HD11 . 34890 1 779 . 1 . 1 86 86 LEU HD12 H 1 0.643 0.020 . 2 . . . . A 66 LEU HD12 . 34890 1 780 . 1 . 1 86 86 LEU HD13 H 1 0.643 0.020 . 2 . . . . A 66 LEU HD13 . 34890 1 781 . 1 . 1 86 86 LEU HD21 H 1 0.683 0.020 . 2 . . . . A 66 LEU HD21 . 34890 1 782 . 1 . 1 86 86 LEU HD22 H 1 0.683 0.020 . 2 . . . . A 66 LEU HD22 . 34890 1 783 . 1 . 1 86 86 LEU HD23 H 1 0.683 0.020 . 2 . . . . A 66 LEU HD23 . 34890 1 784 . 1 . 1 86 86 LEU C C 13 175.096 0.400 . 1 . . . . A 66 LEU C . 34890 1 785 . 1 . 1 86 86 LEU CA C 13 53.160 0.400 . 1 . . . . A 66 LEU CA . 34890 1 786 . 1 . 1 86 86 LEU CB C 13 41.285 0.400 . 1 . . . . A 66 LEU CB . 34890 1 787 . 1 . 1 86 86 LEU N N 15 121.514 0.400 . 1 . . . . A 66 LEU N . 34890 1 788 . 1 . 1 87 87 PRO HA H 1 4.277 0.020 . 1 . . . . A 67 PRO HA . 34890 1 789 . 1 . 1 87 87 PRO HB2 H 1 2.175 0.020 . 2 . . . . A 67 PRO HB2 . 34890 1 790 . 1 . 1 87 87 PRO HB3 H 1 1.793 0.020 . 2 . . . . A 67 PRO HB3 . 34890 1 791 . 1 . 1 87 87 PRO HG2 H 1 1.924 0.020 . 2 . . . . A 67 PRO HG2 . 34890 1 792 . 1 . 1 87 87 PRO HG3 H 1 1.924 0.020 . 2 . . . . A 67 PRO HG3 . 34890 1 793 . 1 . 1 87 87 PRO HD2 H 1 3.488 0.020 . 2 . . . . A 67 PRO HD2 . 34890 1 794 . 1 . 1 87 87 PRO HD3 H 1 3.488 0.020 . 2 . . . . A 67 PRO HD3 . 34890 1 795 . 1 . 1 87 87 PRO C C 13 176.719 0.400 . 1 . . . . A 67 PRO C . 34890 1 796 . 1 . 1 87 87 PRO CA C 13 63.160 0.400 . 1 . . . . A 67 PRO CA . 34890 1 797 . 1 . 1 87 87 PRO CB C 13 31.910 0.400 . 1 . . . . A 67 PRO CB . 34890 1 798 . 1 . 1 87 87 PRO CG C 13 27.535 0.400 . 1 . . . . A 67 PRO CG . 34890 1 799 . 1 . 1 87 87 PRO CD C 13 50.035 0.400 . 1 . . . . A 67 PRO CD . 34890 1 800 . 1 . 1 88 88 ARG H H 1 8.277 0.020 . 1 . . . . A 68 ARG H . 34890 1 801 . 1 . 1 88 88 ARG HA H 1 4.246 0.020 . 1 . . . . A 68 ARG HA . 34890 1 802 . 1 . 1 88 88 ARG HB2 H 1 1.758 0.020 . 2 . . . . A 68 ARG HB2 . 34890 1 803 . 1 . 1 88 88 ARG HB3 H 1 1.651 0.020 . 2 . . . . A 68 ARG HB3 . 34890 1 804 . 1 . 1 88 88 ARG HG2 H 1 1.539 0.020 . 2 . . . . A 68 ARG HG2 . 34890 1 805 . 1 . 1 88 88 ARG HG3 H 1 1.539 0.020 . 2 . . . . A 68 ARG HG3 . 34890 1 806 . 1 . 1 88 88 ARG HD2 H 1 3.085 0.020 . 2 . . . . A 68 ARG HD2 . 34890 1 807 . 1 . 1 88 88 ARG HD3 H 1 3.085 0.020 . 2 . . . . A 68 ARG HD3 . 34890 1 808 . 1 . 1 88 88 ARG C C 13 175.979 0.400 . 1 . . . . A 68 ARG C . 34890 1 809 . 1 . 1 88 88 ARG CA C 13 55.660 0.400 . 1 . . . . A 68 ARG CA . 34890 1 810 . 1 . 1 88 88 ARG CB C 13 30.660 0.400 . 1 . . . . A 68 ARG CB . 34890 1 811 . 1 . 1 88 88 ARG CG C 13 26.910 0.400 . 1 . . . . A 68 ARG CG . 34890 1 812 . 1 . 1 88 88 ARG CD C 13 43.160 0.400 . 1 . . . . A 68 ARG CD . 34890 1 813 . 1 . 1 88 88 ARG N N 15 120.507 0.400 . 1 . . . . A 68 ARG N . 34890 1 814 . 1 . 1 89 89 ASN H H 1 8.335 0.020 . 1 . . . . A 69 ASN H . 34890 1 815 . 1 . 1 89 89 ASN HA H 1 4.625 0.020 . 1 . . . . A 69 ASN HA . 34890 1 816 . 1 . 1 89 89 ASN HB2 H 1 2.731 0.020 . 2 . . . . A 69 ASN HB2 . 34890 1 817 . 1 . 1 89 89 ASN HB3 H 1 2.650 0.020 . 2 . . . . A 69 ASN HB3 . 34890 1 818 . 1 . 1 89 89 ASN HD21 H 1 7.211 0.020 . 2 . . . . A 69 ASN HD21 . 34890 1 819 . 1 . 1 89 89 ASN HD22 H 1 6.267 0.020 . 2 . . . . A 69 ASN HD22 . 34890 1 820 . 1 . 1 89 89 ASN C C 13 173.999 0.400 . 1 . . . . A 69 ASN C . 34890 1 821 . 1 . 1 89 89 ASN CA C 13 53.160 0.400 . 1 . . . . A 69 ASN CA . 34890 1 822 . 1 . 1 89 89 ASN CB C 13 38.785 0.400 . 1 . . . . A 69 ASN CB . 34890 1 823 . 1 . 1 89 89 ASN N N 15 119.561 0.400 . 1 . . . . A 69 ASN N . 34890 1 824 . 1 . 1 90 90 ARG H H 1 7.780 0.020 . 1 . . . . A 70 ARG H . 34890 1 825 . 1 . 1 90 90 ARG HA H 1 4.073 0.020 . 1 . . . . A 70 ARG HA . 34890 1 826 . 1 . 1 90 90 ARG C C 13 180.676 0.400 . 1 . . . . A 70 ARG C . 34890 1 827 . 1 . 1 90 90 ARG CA C 13 57.535 0.400 . 1 . . . . A 70 ARG CA . 34890 1 828 . 1 . 1 90 90 ARG CB C 13 31.285 0.400 . 1 . . . . A 70 ARG CB . 34890 1 829 . 1 . 1 90 90 ARG N N 15 125.805 0.400 . 1 . . . . A 70 ARG N . 34890 1 stop_ save_