data_30571 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30571 _Entry.Title ; Solution structure of POS-1, a CCCH-type Tandem Zinc Finger protein from C. elegans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-14 _Entry.Accession_date 2019-02-14 _Entry.Last_release_date 2020-06-16 _Entry.Original_release_date 2020-06-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 A. Ertekin A. . . . 30571 2 F. Massi F. . . . 30571 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CCCH-type Tandem Zinc Finger protein' . 30571 'RNA BINDING PROTEIN' . 30571 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30571 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 30571 '15N chemical shifts' 67 30571 '1H chemical shifts' 482 30571 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 . . 2020-10-09 . original BMRB . 30571 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6NZL 'BMRB Entry Tracking System' 30571 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30571 _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 ; Solution structure of POS-1, a CCCH-type Tandem Zinc Finger protein from C. elegans ; _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 A. Ertekin A. . . . 30571 1 2 F. Massi F. . . . 30571 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30571 _Assembly.ID 1 _Assembly.Name 'Cytoplasmic zinc-finger 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 . . . . . . 30571 1 2 'ZINC ION, 1' 2 $entity_ZN B A no . . . . . . 30571 1 3 'ZINC ION, 2' 2 $entity_ZN C A no . . . . . . 30571 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 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30571 1 2 coordination single . 1 . 1 CYS 18 18 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30571 1 3 coordination single . 1 . 1 CYS 24 24 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30571 1 4 coordination single . 1 . 1 HIS 28 28 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30571 1 5 coordination single . 1 . 1 CYS 52 52 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30571 1 6 coordination single . 1 . 1 CYS 61 61 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30571 1 7 coordination single . 1 . 1 CYS 67 67 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30571 1 8 coordination single . 1 . 1 HIS 71 71 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30571 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30571 _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 ; SDAFKTALCDAYKRSQACSY GDQCRFAHGVHELRLPMNPR GRNHPKYKTVLCDKFSMTGN CKYGTRCQFIHKIVDGNA ; _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 78 _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 8875.201 _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 'POsterior Segregation' common 30571 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 96 SER . 30571 1 2 97 ASP . 30571 1 3 98 ALA . 30571 1 4 99 PHE . 30571 1 5 100 LYS . 30571 1 6 101 THR . 30571 1 7 102 ALA . 30571 1 8 103 LEU . 30571 1 9 104 CYS . 30571 1 10 105 ASP . 30571 1 11 106 ALA . 30571 1 12 107 TYR . 30571 1 13 108 LYS . 30571 1 14 109 ARG . 30571 1 15 110 SER . 30571 1 16 111 GLN . 30571 1 17 112 ALA . 30571 1 18 113 CYS . 30571 1 19 114 SER . 30571 1 20 115 TYR . 30571 1 21 116 GLY . 30571 1 22 117 ASP . 30571 1 23 118 GLN . 30571 1 24 119 CYS . 30571 1 25 120 ARG . 30571 1 26 121 PHE . 30571 1 27 122 ALA . 30571 1 28 123 HIS . 30571 1 29 124 GLY . 30571 1 30 125 VAL . 30571 1 31 126 HIS . 30571 1 32 127 GLU . 30571 1 33 128 LEU . 30571 1 34 129 ARG . 30571 1 35 130 LEU . 30571 1 36 131 PRO . 30571 1 37 132 MET . 30571 1 38 133 ASN . 30571 1 39 134 PRO . 30571 1 40 135 ARG . 30571 1 41 136 GLY . 30571 1 42 137 ARG . 30571 1 43 138 ASN . 30571 1 44 139 HIS . 30571 1 45 140 PRO . 30571 1 46 141 LYS . 30571 1 47 142 TYR . 30571 1 48 143 LYS . 30571 1 49 144 THR . 30571 1 50 145 VAL . 30571 1 51 146 LEU . 30571 1 52 147 CYS . 30571 1 53 148 ASP . 30571 1 54 149 LYS . 30571 1 55 150 PHE . 30571 1 56 151 SER . 30571 1 57 152 MET . 30571 1 58 153 THR . 30571 1 59 154 GLY . 30571 1 60 155 ASN . 30571 1 61 156 CYS . 30571 1 62 157 LYS . 30571 1 63 158 TYR . 30571 1 64 159 GLY . 30571 1 65 160 THR . 30571 1 66 161 ARG . 30571 1 67 162 CYS . 30571 1 68 163 GLN . 30571 1 69 164 PHE . 30571 1 70 165 ILE . 30571 1 71 166 HIS . 30571 1 72 167 LYS . 30571 1 73 168 ILE . 30571 1 74 169 VAL . 30571 1 75 170 ASP . 30571 1 76 171 GLY . 30571 1 77 172 ASN . 30571 1 78 173 ALA . 30571 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 . SER 1 1 30571 1 . ASP 2 2 30571 1 . ALA 3 3 30571 1 . PHE 4 4 30571 1 . LYS 5 5 30571 1 . THR 6 6 30571 1 . ALA 7 7 30571 1 . LEU 8 8 30571 1 . CYS 9 9 30571 1 . ASP 10 10 30571 1 . ALA 11 11 30571 1 . TYR 12 12 30571 1 . LYS 13 13 30571 1 . ARG 14 14 30571 1 . SER 15 15 30571 1 . GLN 16 16 30571 1 . ALA 17 17 30571 1 . CYS 18 18 30571 1 . SER 19 19 30571 1 . TYR 20 20 30571 1 . GLY 21 21 30571 1 . ASP 22 22 30571 1 . GLN 23 23 30571 1 . CYS 24 24 30571 1 . ARG 25 25 30571 1 . PHE 26 26 30571 1 . ALA 27 27 30571 1 . HIS 28 28 30571 1 . GLY 29 29 30571 1 . VAL 30 30 30571 1 . HIS 31 31 30571 1 . GLU 32 32 30571 1 . LEU 33 33 30571 1 . ARG 34 34 30571 1 . LEU 35 35 30571 1 . PRO 36 36 30571 1 . MET 37 37 30571 1 . ASN 38 38 30571 1 . PRO 39 39 30571 1 . ARG 40 40 30571 1 . GLY 41 41 30571 1 . ARG 42 42 30571 1 . ASN 43 43 30571 1 . HIS 44 44 30571 1 . PRO 45 45 30571 1 . LYS 46 46 30571 1 . TYR 47 47 30571 1 . LYS 48 48 30571 1 . THR 49 49 30571 1 . VAL 50 50 30571 1 . LEU 51 51 30571 1 . CYS 52 52 30571 1 . ASP 53 53 30571 1 . LYS 54 54 30571 1 . PHE 55 55 30571 1 . SER 56 56 30571 1 . MET 57 57 30571 1 . THR 58 58 30571 1 . GLY 59 59 30571 1 . ASN 60 60 30571 1 . CYS 61 61 30571 1 . LYS 62 62 30571 1 . TYR 63 63 30571 1 . GLY 64 64 30571 1 . THR 65 65 30571 1 . ARG 66 66 30571 1 . CYS 67 67 30571 1 . GLN 68 68 30571 1 . PHE 69 69 30571 1 . ILE 70 70 30571 1 . HIS 71 71 30571 1 . LYS 72 72 30571 1 . ILE 73 73 30571 1 . VAL 74 74 30571 1 . ASP 75 75 30571 1 . GLY 76 76 30571 1 . ASN 77 77 30571 1 . ALA 78 78 30571 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30571 _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 30571 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 30571 2 ZN 'Three letter code' 30571 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 30571 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 30571 _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 . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . 'pos-1, CELE_F52E1.1, F52E1.1' . 30571 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 30571 _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)' . 'N-terminal (6xHis)-Sumo tag' 469008 . . BL21(DE3) . . plasmid . . pet21a . . . 30571 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 30571 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 . _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 30571 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30571 ZN [Zn++] SMILES CACTVS 3.341 30571 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30571 ZN [Zn+2] SMILES ACDLabs 10.04 30571 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30571 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30571 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 30571 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30571 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30571 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30571 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-100% 13C; U-100% 15N] POS-1, 50 mM Tris-HCl pH 6.3, 100 mM potassium chloride, 100 uM Zinc Acetate, 1 mM DTT, 10 mM DSS, 92% H2O/8% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 POS-1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30571 1 2 'Tris-HCl pH 6.3' 'natural abundance' . . . . . . 50 . . mM . . . . 30571 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30571 1 4 'Zinc Acetate' 'natural abundance' . . . . . . 100 . . uM . . . . 30571 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30571 1 6 DSS 'natural abundance' . . . . . . 10 . . mM . . . . 30571 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30571 _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 30571 1 pH 6.3 . pH 30571 1 pressure 1 . atm 30571 1 temperature 293 . K 30571 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30571 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30571 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30571 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30571 _Software.ID 2 _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' . . 30571 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30571 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30571 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30571 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30571 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30571 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30571 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30571 4 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 30571 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Agilent VNMRS' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30571 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30571 _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 Varian 'Agilent VNMRS' . 800 . . . 30571 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 30571 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 30571 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 11 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 12 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 13 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 14 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30571 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30571 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30571 1 17 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30571 1 18 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30571 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 30571 _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 0.25144953 . . . . . 30571 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30571 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30571 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 30571 _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' . . . 30571 1 2 '2D 1H-13C HSQC' . . . 30571 1 3 '2D 1H-13C HSQC aliphatic' . . . 30571 1 4 '2D 1H-13C HSQC aromatic' . . . 30571 1 5 '3D CBCA(CO)NH' . . . 30571 1 6 '3D HCCH-TOCSY' . . . 30571 1 7 '3D HBHA(CO)NH' . . . 30571 1 8 '3D HCCH-COSY' . . . 30571 1 9 '3D HCCH-TOCSY' . . . 30571 1 10 '3D HN(CA)CO' . . . 30571 1 11 '3D HNCA' . . . 30571 1 12 '3D HNCACB' . . . 30571 1 13 '3D HNCO' . . . 30571 1 14 '3D HN(CO)CA' . . . 30571 1 15 '3D 1H-15N NOESY' . . . 30571 1 16 '3D 1H-13C NOESY' . . . 30571 1 17 (HB)CB(CGCDCE)HE . . . 30571 1 18 (HB)CB(CGCD)HD . . . 30571 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 1 1 SER HA H 1 3.891 0.001 . . . . . . A 96 SER HA . 30571 1 2 . 1 . 1 1 1 SER CA C 13 57.836 0.005 . . . . . . A 96 SER CA . 30571 1 3 . 1 . 1 2 2 ASP HA H 1 4.596 0.010 . . . . . . A 97 ASP HA . 30571 1 4 . 1 . 1 2 2 ASP HB2 H 1 2.553 0.001 . . . . . . A 97 ASP HB2 . 30571 1 5 . 1 . 1 2 2 ASP HB3 H 1 2.622 0.009 . . . . . . A 97 ASP HB3 . 30571 1 6 . 1 . 1 2 2 ASP C C 13 175.763 0.001 . . . . . . A 97 ASP C . 30571 1 7 . 1 . 1 2 2 ASP CA C 13 54.499 0.001 . . . . . . A 97 ASP CA . 30571 1 8 . 1 . 1 2 2 ASP CB C 13 41.562 0.065 . . . . . . A 97 ASP CB . 30571 1 9 . 1 . 1 3 3 ALA H H 1 8.262 0.019 . . . . . . A 98 ALA H . 30571 1 10 . 1 . 1 3 3 ALA HA H 1 4.277 0.014 . . . . . . A 98 ALA HA . 30571 1 11 . 1 . 1 3 3 ALA HB1 H 1 1.265 0.009 . . . . . . A 98 ALA HB1 . 30571 1 12 . 1 . 1 3 3 ALA HB2 H 1 1.265 0.009 . . . . . . A 98 ALA HB2 . 30571 1 13 . 1 . 1 3 3 ALA HB3 H 1 1.265 0.009 . . . . . . A 98 ALA HB3 . 30571 1 14 . 1 . 1 3 3 ALA C C 13 177.245 0.023 . . . . . . A 98 ALA C . 30571 1 15 . 1 . 1 3 3 ALA CA C 13 52.214 0.014 . . . . . . A 98 ALA CA . 30571 1 16 . 1 . 1 3 3 ALA CB C 13 19.302 0.012 . . . . . . A 98 ALA CB . 30571 1 17 . 1 . 1 3 3 ALA N N 15 124.212 0.055 . . . . . . A 98 ALA N . 30571 1 18 . 1 . 1 4 4 PHE H H 1 8.128 0.015 . . . . . . A 99 PHE H . 30571 1 19 . 1 . 1 4 4 PHE HA H 1 4.479 0.011 . . . . . . A 99 PHE HA . 30571 1 20 . 1 . 1 4 4 PHE HB2 H 1 2.969 0.006 . . . . . . A 99 PHE HB2 . 30571 1 21 . 1 . 1 4 4 PHE HB3 H 1 2.950 0.012 . . . . . . A 99 PHE HB3 . 30571 1 22 . 1 . 1 4 4 PHE HD1 H 1 7.105 0.016 . . . . . . A 99 PHE HD1 . 30571 1 23 . 1 . 1 4 4 PHE HD2 H 1 7.105 0.016 . . . . . . A 99 PHE HD2 . 30571 1 24 . 1 . 1 4 4 PHE HE1 H 1 7.272 0.018 . . . . . . A 99 PHE HE1 . 30571 1 25 . 1 . 1 4 4 PHE HE2 H 1 7.272 0.018 . . . . . . A 99 PHE HE2 . 30571 1 26 . 1 . 1 4 4 PHE C C 13 174.464 0.004 . . . . . . A 99 PHE C . 30571 1 27 . 1 . 1 4 4 PHE CA C 13 58.071 0.040 . . . . . . A 99 PHE CA . 30571 1 28 . 1 . 1 4 4 PHE CB C 13 40.034 0.033 . . . . . . A 99 PHE CB . 30571 1 29 . 1 . 1 4 4 PHE CD1 C 13 131.615 0.000 . . . . . . A 99 PHE CD1 . 30571 1 30 . 1 . 1 4 4 PHE CD2 C 13 131.615 0.000 . . . . . . A 99 PHE CD2 . 30571 1 31 . 1 . 1 4 4 PHE CE1 C 13 131.667 0.000 . . . . . . A 99 PHE CE1 . 30571 1 32 . 1 . 1 4 4 PHE CE2 C 13 131.667 0.000 . . . . . . A 99 PHE CE2 . 30571 1 33 . 1 . 1 4 4 PHE N N 15 121.505 0.127 . . . . . . A 99 PHE N . 30571 1 34 . 1 . 1 5 5 LYS H H 1 8.495 0.009 . . . . . . A 100 LYS H . 30571 1 35 . 1 . 1 5 5 LYS HA H 1 3.687 0.013 . . . . . . A 100 LYS HA . 30571 1 36 . 1 . 1 5 5 LYS HB2 H 1 1.791 0.009 . . . . . . A 100 LYS HB2 . 30571 1 37 . 1 . 1 5 5 LYS HB3 H 1 1.570 0.015 . . . . . . A 100 LYS HB3 . 30571 1 38 . 1 . 1 5 5 LYS HG2 H 1 0.504 0.006 . . . . . . A 100 LYS HG2 . 30571 1 39 . 1 . 1 5 5 LYS HG3 H 1 0.268 0.006 . . . . . . A 100 LYS HG3 . 30571 1 40 . 1 . 1 5 5 LYS HD2 H 1 0.996 0.003 . . . . . . A 100 LYS HD2 . 30571 1 41 . 1 . 1 5 5 LYS HD3 H 1 1.174 0.003 . . . . . . A 100 LYS HD3 . 30571 1 42 . 1 . 1 5 5 LYS HE2 H 1 2.643 0.006 . . . . . . A 100 LYS HE2 . 30571 1 43 . 1 . 1 5 5 LYS HE3 H 1 2.772 0.002 . . . . . . A 100 LYS HE3 . 30571 1 44 . 1 . 1 5 5 LYS C C 13 174.658 0.050 . . . . . . A 100 LYS C . 30571 1 45 . 1 . 1 5 5 LYS CA C 13 57.491 0.039 . . . . . . A 100 LYS CA . 30571 1 46 . 1 . 1 5 5 LYS CB C 13 30.977 0.065 . . . . . . A 100 LYS CB . 30571 1 47 . 1 . 1 5 5 LYS CG C 13 25.271 0.014 . . . . . . A 100 LYS CG . 30571 1 48 . 1 . 1 5 5 LYS CD C 13 29.407 0.023 . . . . . . A 100 LYS CD . 30571 1 49 . 1 . 1 5 5 LYS CE C 13 42.653 0.019 . . . . . . A 100 LYS CE . 30571 1 50 . 1 . 1 5 5 LYS N N 15 120.693 0.035 . . . . . . A 100 LYS N . 30571 1 51 . 1 . 1 6 6 THR H H 1 8.184 0.012 . . . . . . A 101 THR H . 30571 1 52 . 1 . 1 6 6 THR HA H 1 4.498 0.009 . . . . . . A 101 THR HA . 30571 1 53 . 1 . 1 6 6 THR HB H 1 4.390 0.009 . . . . . . A 101 THR HB . 30571 1 54 . 1 . 1 6 6 THR HG21 H 1 1.082 0.007 . . . . . . A 101 THR HG21 . 30571 1 55 . 1 . 1 6 6 THR HG22 H 1 1.082 0.007 . . . . . . A 101 THR HG22 . 30571 1 56 . 1 . 1 6 6 THR HG23 H 1 1.082 0.007 . . . . . . A 101 THR HG23 . 30571 1 57 . 1 . 1 6 6 THR C C 13 173.934 0.008 . . . . . . A 101 THR C . 30571 1 58 . 1 . 1 6 6 THR CA C 13 61.795 0.032 . . . . . . A 101 THR CA . 30571 1 59 . 1 . 1 6 6 THR CB C 13 69.863 0.024 . . . . . . A 101 THR CB . 30571 1 60 . 1 . 1 6 6 THR CG2 C 13 21.988 0.026 . . . . . . A 101 THR CG2 . 30571 1 61 . 1 . 1 6 6 THR N N 15 107.410 0.116 . . . . . . A 101 THR N . 30571 1 62 . 1 . 1 7 7 ALA H H 1 7.822 0.010 . . . . . . A 102 ALA H . 30571 1 63 . 1 . 1 7 7 ALA HA H 1 4.676 0.012 . . . . . . A 102 ALA HA . 30571 1 64 . 1 . 1 7 7 ALA HB1 H 1 1.465 0.008 . . . . . . A 102 ALA HB1 . 30571 1 65 . 1 . 1 7 7 ALA HB2 H 1 1.465 0.008 . . . . . . A 102 ALA HB2 . 30571 1 66 . 1 . 1 7 7 ALA HB3 H 1 1.465 0.008 . . . . . . A 102 ALA HB3 . 30571 1 67 . 1 . 1 7 7 ALA C C 13 176.560 0.006 . . . . . . A 102 ALA C . 30571 1 68 . 1 . 1 7 7 ALA CA C 13 50.729 0.010 . . . . . . A 102 ALA CA . 30571 1 69 . 1 . 1 7 7 ALA CB C 13 22.266 0.023 . . . . . . A 102 ALA CB . 30571 1 70 . 1 . 1 7 7 ALA N N 15 123.519 0.050 . . . . . . A 102 ALA N . 30571 1 71 . 1 . 1 8 8 LEU H H 1 8.906 0.023 . . . . . . A 103 LEU H . 30571 1 72 . 1 . 1 8 8 LEU HA H 1 4.412 0.009 . . . . . . A 103 LEU HA . 30571 1 73 . 1 . 1 8 8 LEU HB2 H 1 1.411 0.008 . . . . . . A 103 LEU HB2 . 30571 1 74 . 1 . 1 8 8 LEU HB3 H 1 1.720 0.008 . . . . . . A 103 LEU HB3 . 30571 1 75 . 1 . 1 8 8 LEU HG H 1 1.731 0.005 . . . . . . A 103 LEU HG . 30571 1 76 . 1 . 1 8 8 LEU HD11 H 1 0.926 0.011 . . . . . . A 103 LEU HD11 . 30571 1 77 . 1 . 1 8 8 LEU HD12 H 1 0.926 0.011 . . . . . . A 103 LEU HD12 . 30571 1 78 . 1 . 1 8 8 LEU HD13 H 1 0.926 0.011 . . . . . . A 103 LEU HD13 . 30571 1 79 . 1 . 1 8 8 LEU HD21 H 1 0.675 0.011 . . . . . . A 103 LEU HD21 . 30571 1 80 . 1 . 1 8 8 LEU HD22 H 1 0.675 0.011 . . . . . . A 103 LEU HD22 . 30571 1 81 . 1 . 1 8 8 LEU HD23 H 1 0.675 0.011 . . . . . . A 103 LEU HD23 . 30571 1 82 . 1 . 1 8 8 LEU C C 13 176.288 0.017 . . . . . . A 103 LEU C . 30571 1 83 . 1 . 1 8 8 LEU CA C 13 55.069 0.034 . . . . . . A 103 LEU CA . 30571 1 84 . 1 . 1 8 8 LEU CB C 13 43.046 0.029 . . . . . . A 103 LEU CB . 30571 1 85 . 1 . 1 8 8 LEU CG C 13 27.190 0.034 . . . . . . A 103 LEU CG . 30571 1 86 . 1 . 1 8 8 LEU CD1 C 13 25.670 0.043 . . . . . . A 103 LEU CD1 . 30571 1 87 . 1 . 1 8 8 LEU CD2 C 13 23.034 0.030 . . . . . . A 103 LEU CD2 . 30571 1 88 . 1 . 1 8 8 LEU N N 15 121.726 0.018 . . . . . . A 103 LEU N . 30571 1 89 . 1 . 1 9 9 CYS H H 1 8.854 0.005 . . . . . . A 104 CYS H . 30571 1 90 . 1 . 1 9 9 CYS HA H 1 3.726 0.000 . . . . . . A 104 CYS HA . 30571 1 91 . 1 . 1 9 9 CYS HB2 H 1 2.833 0.000 . . . . . . A 104 CYS HB2 . 30571 1 92 . 1 . 1 9 9 CYS HB3 H 1 3.086 0.000 . . . . . . A 104 CYS HB3 . 30571 1 93 . 1 . 1 9 9 CYS C C 13 176.110 0.032 . . . . . . A 104 CYS C . 30571 1 94 . 1 . 1 9 9 CYS CA C 13 59.977 0.000 . . . . . . A 104 CYS CA . 30571 1 95 . 1 . 1 9 9 CYS CB C 13 32.045 0.011 . . . . . . A 104 CYS CB . 30571 1 96 . 1 . 1 9 9 CYS N N 15 125.160 0.020 . . . . . . A 104 CYS N . 30571 1 97 . 1 . 1 10 10 ASP H H 1 8.797 0.016 . . . . . . A 105 ASP H . 30571 1 98 . 1 . 1 10 10 ASP HA H 1 4.272 0.008 . . . . . . A 105 ASP HA . 30571 1 99 . 1 . 1 10 10 ASP HB2 H 1 2.561 0.011 . . . . . . A 105 ASP HB2 . 30571 1 100 . 1 . 1 10 10 ASP HB3 H 1 2.616 0.012 . . . . . . A 105 ASP HB3 . 30571 1 101 . 1 . 1 10 10 ASP C C 13 177.381 0.017 . . . . . . A 105 ASP C . 30571 1 102 . 1 . 1 10 10 ASP CA C 13 58.186 0.042 . . . . . . A 105 ASP CA . 30571 1 103 . 1 . 1 10 10 ASP CB C 13 41.633 0.080 . . . . . . A 105 ASP CB . 30571 1 104 . 1 . 1 10 10 ASP N N 15 132.338 0.103 . . . . . . A 105 ASP N . 30571 1 105 . 1 . 1 11 11 ALA H H 1 8.269 0.009 . . . . . . A 106 ALA H . 30571 1 106 . 1 . 1 11 11 ALA HA H 1 4.090 0.009 . . . . . . A 106 ALA HA . 30571 1 107 . 1 . 1 11 11 ALA HB1 H 1 1.561 0.006 . . . . . . A 106 ALA HB1 . 30571 1 108 . 1 . 1 11 11 ALA HB2 H 1 1.561 0.006 . . . . . . A 106 ALA HB2 . 30571 1 109 . 1 . 1 11 11 ALA HB3 H 1 1.561 0.006 . . . . . . A 106 ALA HB3 . 30571 1 110 . 1 . 1 11 11 ALA CA C 13 55.730 0.008 . . . . . . A 106 ALA CA . 30571 1 111 . 1 . 1 11 11 ALA CB C 13 18.495 0.011 . . . . . . A 106 ALA CB . 30571 1 112 . 1 . 1 11 11 ALA N N 15 123.538 0.043 . . . . . . A 106 ALA N . 30571 1 113 . 1 . 1 12 12 TYR HA H 1 3.800 0.012 . . . . . . A 107 TYR HA . 30571 1 114 . 1 . 1 12 12 TYR HB2 H 1 2.777 0.007 . . . . . . A 107 TYR HB2 . 30571 1 115 . 1 . 1 12 12 TYR HB3 H 1 3.145 0.010 . . . . . . A 107 TYR HB3 . 30571 1 116 . 1 . 1 12 12 TYR HD1 H 1 6.697 0.015 . . . . . . A 107 TYR HD1 . 30571 1 117 . 1 . 1 12 12 TYR HD2 H 1 6.697 0.015 . . . . . . A 107 TYR HD2 . 30571 1 118 . 1 . 1 12 12 TYR HE1 H 1 6.714 0.002 . . . . . . A 107 TYR HE1 . 30571 1 119 . 1 . 1 12 12 TYR HE2 H 1 6.714 0.002 . . . . . . A 107 TYR HE2 . 30571 1 120 . 1 . 1 12 12 TYR C C 13 179.005 0.006 . . . . . . A 107 TYR C . 30571 1 121 . 1 . 1 12 12 TYR CA C 13 61.825 0.000 . . . . . . A 107 TYR CA . 30571 1 122 . 1 . 1 12 12 TYR CB C 13 38.252 0.028 . . . . . . A 107 TYR CB . 30571 1 123 . 1 . 1 12 12 TYR CD1 C 13 132.624 0.000 . . . . . . A 107 TYR CD1 . 30571 1 124 . 1 . 1 12 12 TYR CD2 C 13 132.624 0.000 . . . . . . A 107 TYR CD2 . 30571 1 125 . 1 . 1 12 12 TYR CE1 C 13 118.395 0.000 . . . . . . A 107 TYR CE1 . 30571 1 126 . 1 . 1 12 12 TYR CE2 C 13 118.395 0.000 . . . . . . A 107 TYR CE2 . 30571 1 127 . 1 . 1 13 13 LYS H H 1 8.332 0.013 . . . . . . A 108 LYS H . 30571 1 128 . 1 . 1 13 13 LYS HA H 1 4.015 0.013 . . . . . . A 108 LYS HA . 30571 1 129 . 1 . 1 13 13 LYS HB2 H 1 1.942 0.009 . . . . . . A 108 LYS HB2 . 30571 1 130 . 1 . 1 13 13 LYS HB3 H 1 1.941 0.000 . . . . . . A 108 LYS HB3 . 30571 1 131 . 1 . 1 13 13 LYS HG2 H 1 1.548 0.014 . . . . . . A 108 LYS HG2 . 30571 1 132 . 1 . 1 13 13 LYS HG3 H 1 1.486 0.014 . . . . . . A 108 LYS HG3 . 30571 1 133 . 1 . 1 13 13 LYS HD2 H 1 1.675 0.002 . . . . . . A 108 LYS HD2 . 30571 1 134 . 1 . 1 13 13 LYS HD3 H 1 1.674 0.000 . . . . . . A 108 LYS HD3 . 30571 1 135 . 1 . 1 13 13 LYS HE2 H 1 2.941 0.000 . . . . . . A 108 LYS HE2 . 30571 1 136 . 1 . 1 13 13 LYS HE3 H 1 2.932 0.002 . . . . . . A 108 LYS HE3 . 30571 1 137 . 1 . 1 13 13 LYS C C 13 177.740 0.056 . . . . . . A 108 LYS C . 30571 1 138 . 1 . 1 13 13 LYS CA C 13 59.327 0.010 . . . . . . A 108 LYS CA . 30571 1 139 . 1 . 1 13 13 LYS CB C 13 32.685 0.025 . . . . . . A 108 LYS CB . 30571 1 140 . 1 . 1 13 13 LYS CG C 13 25.030 0.011 . . . . . . A 108 LYS CG . 30571 1 141 . 1 . 1 13 13 LYS CD C 13 29.721 0.025 . . . . . . A 108 LYS CD . 30571 1 142 . 1 . 1 13 13 LYS CE C 13 42.136 0.012 . . . . . . A 108 LYS CE . 30571 1 143 . 1 . 1 13 13 LYS N N 15 119.794 0.059 . . . . . . A 108 LYS N . 30571 1 144 . 1 . 1 14 14 ARG H H 1 7.589 0.012 . . . . . . A 109 ARG H . 30571 1 145 . 1 . 1 14 14 ARG HA H 1 4.255 0.010 . . . . . . A 109 ARG HA . 30571 1 146 . 1 . 1 14 14 ARG HB2 H 1 1.808 0.010 . . . . . . A 109 ARG HB2 . 30571 1 147 . 1 . 1 14 14 ARG HB3 H 1 1.907 0.017 . . . . . . A 109 ARG HB3 . 30571 1 148 . 1 . 1 14 14 ARG HG2 H 1 1.612 0.008 . . . . . . A 109 ARG HG2 . 30571 1 149 . 1 . 1 14 14 ARG HG3 H 1 1.729 0.007 . . . . . . A 109 ARG HG3 . 30571 1 150 . 1 . 1 14 14 ARG HD2 H 1 3.128 0.018 . . . . . . A 109 ARG HD2 . 30571 1 151 . 1 . 1 14 14 ARG HD3 H 1 3.164 0.007 . . . . . . A 109 ARG HD3 . 30571 1 152 . 1 . 1 14 14 ARG C C 13 177.255 0.046 . . . . . . A 109 ARG C . 30571 1 153 . 1 . 1 14 14 ARG CA C 13 57.432 0.018 . . . . . . A 109 ARG CA . 30571 1 154 . 1 . 1 14 14 ARG CB C 13 30.880 0.039 . . . . . . A 109 ARG CB . 30571 1 155 . 1 . 1 14 14 ARG CG C 13 27.918 0.036 . . . . . . A 109 ARG CG . 30571 1 156 . 1 . 1 14 14 ARG CD C 13 43.445 0.049 . . . . . . A 109 ARG CD . 30571 1 157 . 1 . 1 14 14 ARG N N 15 116.411 0.026 . . . . . . A 109 ARG N . 30571 1 158 . 1 . 1 15 15 SER H H 1 8.006 0.009 . . . . . . A 110 SER H . 30571 1 159 . 1 . 1 15 15 SER HA H 1 4.367 0.014 . . . . . . A 110 SER HA . 30571 1 160 . 1 . 1 15 15 SER HB2 H 1 3.876 0.009 . . . . . . A 110 SER HB2 . 30571 1 161 . 1 . 1 15 15 SER C C 13 173.651 0.006 . . . . . . A 110 SER C . 30571 1 162 . 1 . 1 15 15 SER CA C 13 59.099 0.000 . . . . . . A 110 SER CA . 30571 1 163 . 1 . 1 15 15 SER CB C 13 64.412 0.091 . . . . . . A 110 SER CB . 30571 1 164 . 1 . 1 15 15 SER N N 15 112.119 0.024 . . . . . . A 110 SER N . 30571 1 165 . 1 . 1 16 16 GLN H H 1 8.243 0.002 . . . . . . A 111 GLN H . 30571 1 166 . 1 . 1 16 16 GLN N N 15 117.818 0.027 . . . . . . A 111 GLN N . 30571 1 167 . 1 . 1 17 17 ALA HA H 1 4.250 0.008 . . . . . . A 112 ALA HA . 30571 1 168 . 1 . 1 17 17 ALA HB1 H 1 1.162 0.009 . . . . . . A 112 ALA HB1 . 30571 1 169 . 1 . 1 17 17 ALA HB2 H 1 1.162 0.009 . . . . . . A 112 ALA HB2 . 30571 1 170 . 1 . 1 17 17 ALA HB3 H 1 1.162 0.009 . . . . . . A 112 ALA HB3 . 30571 1 171 . 1 . 1 17 17 ALA CA C 13 51.857 0.034 . . . . . . A 112 ALA CA . 30571 1 172 . 1 . 1 17 17 ALA CB C 13 20.043 0.004 . . . . . . A 112 ALA CB . 30571 1 173 . 1 . 1 18 18 CYS H H 1 8.374 0.014 . . . . . . A 113 CYS H . 30571 1 174 . 1 . 1 18 18 CYS HA H 1 4.370 0.000 . . . . . . A 113 CYS HA . 30571 1 175 . 1 . 1 18 18 CYS HB2 H 1 2.747 0.000 . . . . . . A 113 CYS HB2 . 30571 1 176 . 1 . 1 18 18 CYS HB3 H 1 2.804 0.000 . . . . . . A 113 CYS HB3 . 30571 1 177 . 1 . 1 18 18 CYS CA C 13 59.157 0.000 . . . . . . A 113 CYS CA . 30571 1 178 . 1 . 1 18 18 CYS CB C 13 31.591 0.024 . . . . . . A 113 CYS CB . 30571 1 179 . 1 . 1 18 18 CYS N N 15 123.021 0.009 . . . . . . A 113 CYS N . 30571 1 180 . 1 . 1 19 19 SER HA H 1 4.149 0.009 . . . . . . A 114 SER HA . 30571 1 181 . 1 . 1 19 19 SER HB2 H 1 3.737 0.012 . . . . . . A 114 SER HB2 . 30571 1 182 . 1 . 1 19 19 SER HB3 H 1 3.695 0.007 . . . . . . A 114 SER HB3 . 30571 1 183 . 1 . 1 19 19 SER C C 13 174.994 0.003 . . . . . . A 114 SER C . 30571 1 184 . 1 . 1 19 19 SER CA C 13 61.177 0.020 . . . . . . A 114 SER CA . 30571 1 185 . 1 . 1 19 19 SER CB C 13 63.025 0.039 . . . . . . A 114 SER CB . 30571 1 186 . 1 . 1 20 20 TYR H H 1 8.781 0.011 . . . . . . A 115 TYR H . 30571 1 187 . 1 . 1 20 20 TYR HA H 1 4.483 0.009 . . . . . . A 115 TYR HA . 30571 1 188 . 1 . 1 20 20 TYR HB2 H 1 2.910 0.014 . . . . . . A 115 TYR HB2 . 30571 1 189 . 1 . 1 20 20 TYR HB3 H 1 3.082 0.012 . . . . . . A 115 TYR HB3 . 30571 1 190 . 1 . 1 20 20 TYR HD1 H 1 7.380 0.011 . . . . . . A 115 TYR HD1 . 30571 1 191 . 1 . 1 20 20 TYR HD2 H 1 7.380 0.011 . . . . . . A 115 TYR HD2 . 30571 1 192 . 1 . 1 20 20 TYR HE1 H 1 6.946 0.000 . . . . . . A 115 TYR HE1 . 30571 1 193 . 1 . 1 20 20 TYR HE2 H 1 6.946 0.000 . . . . . . A 115 TYR HE2 . 30571 1 194 . 1 . 1 20 20 TYR C C 13 177.702 0.041 . . . . . . A 115 TYR C . 30571 1 195 . 1 . 1 20 20 TYR CA C 13 59.605 0.039 . . . . . . A 115 TYR CA . 30571 1 196 . 1 . 1 20 20 TYR CB C 13 38.260 0.091 . . . . . . A 115 TYR CB . 30571 1 197 . 1 . 1 20 20 TYR CD1 C 13 133.656 0.000 . . . . . . A 115 TYR CD1 . 30571 1 198 . 1 . 1 20 20 TYR CD2 C 13 133.656 0.000 . . . . . . A 115 TYR CD2 . 30571 1 199 . 1 . 1 20 20 TYR CE1 C 13 118.454 0.000 . . . . . . A 115 TYR CE1 . 30571 1 200 . 1 . 1 20 20 TYR CE2 C 13 118.454 0.000 . . . . . . A 115 TYR CE2 . 30571 1 201 . 1 . 1 20 20 TYR N N 15 121.959 0.056 . . . . . . A 115 TYR N . 30571 1 202 . 1 . 1 21 21 GLY H H 1 7.918 0.011 . . . . . . A 116 GLY H . 30571 1 203 . 1 . 1 21 21 GLY HA2 H 1 3.993 0.016 . . . . . . A 116 GLY HA2 . 30571 1 204 . 1 . 1 21 21 GLY HA3 H 1 4.017 0.012 . . . . . . A 116 GLY HA3 . 30571 1 205 . 1 . 1 21 21 GLY C C 13 175.448 0.010 . . . . . . A 116 GLY C . 30571 1 206 . 1 . 1 21 21 GLY CA C 13 47.319 0.003 . . . . . . A 116 GLY CA . 30571 1 207 . 1 . 1 21 21 GLY N N 15 109.257 0.036 . . . . . . A 116 GLY N . 30571 1 208 . 1 . 1 22 22 ASP H H 1 8.953 0.019 . . . . . . A 117 ASP H . 30571 1 209 . 1 . 1 22 22 ASP HA H 1 4.518 0.011 . . . . . . A 117 ASP HA . 30571 1 210 . 1 . 1 22 22 ASP HB2 H 1 2.796 0.000 . . . . . . A 117 ASP HB2 . 30571 1 211 . 1 . 1 22 22 ASP HB3 H 1 2.779 0.000 . . . . . . A 117 ASP HB3 . 30571 1 212 . 1 . 1 22 22 ASP C C 13 176.898 0.002 . . . . . . A 117 ASP C . 30571 1 213 . 1 . 1 22 22 ASP CA C 13 55.788 0.006 . . . . . . A 117 ASP CA . 30571 1 214 . 1 . 1 22 22 ASP CB C 13 40.230 0.019 . . . . . . A 117 ASP CB . 30571 1 215 . 1 . 1 22 22 ASP N N 15 125.424 0.065 . . . . . . A 117 ASP N . 30571 1 216 . 1 . 1 23 23 GLN H H 1 8.092 0.011 . . . . . . A 118 GLN H . 30571 1 217 . 1 . 1 23 23 GLN HA H 1 4.441 0.012 . . . . . . A 118 GLN HA . 30571 1 218 . 1 . 1 23 23 GLN HB2 H 1 2.428 0.008 . . . . . . A 118 GLN HB2 . 30571 1 219 . 1 . 1 23 23 GLN HB3 H 1 2.116 0.010 . . . . . . A 118 GLN HB3 . 30571 1 220 . 1 . 1 23 23 GLN HG2 H 1 2.437 0.000 . . . . . . A 118 GLN HG2 . 30571 1 221 . 1 . 1 23 23 GLN HG3 H 1 2.430 0.000 . . . . . . A 118 GLN HG3 . 30571 1 222 . 1 . 1 23 23 GLN C C 13 175.260 0.041 . . . . . . A 118 GLN C . 30571 1 223 . 1 . 1 23 23 GLN CA C 13 55.117 0.008 . . . . . . A 118 GLN CA . 30571 1 224 . 1 . 1 23 23 GLN CB C 13 29.028 0.015 . . . . . . A 118 GLN CB . 30571 1 225 . 1 . 1 23 23 GLN CG C 13 34.264 0.038 . . . . . . A 118 GLN CG . 30571 1 226 . 1 . 1 23 23 GLN N N 15 117.058 0.042 . . . . . . A 118 GLN N . 30571 1 227 . 1 . 1 24 24 CYS H H 1 7.458 0.002 . . . . . . A 119 CYS H . 30571 1 228 . 1 . 1 24 24 CYS HA H 1 3.771 0.000 . . . . . . A 119 CYS HA . 30571 1 229 . 1 . 1 24 24 CYS HB2 H 1 2.599 0.000 . . . . . . A 119 CYS HB2 . 30571 1 230 . 1 . 1 24 24 CYS HB3 H 1 2.991 0.000 . . . . . . A 119 CYS HB3 . 30571 1 231 . 1 . 1 24 24 CYS C C 13 175.822 0.058 . . . . . . A 119 CYS C . 30571 1 232 . 1 . 1 24 24 CYS CA C 13 61.813 0.000 . . . . . . A 119 CYS CA . 30571 1 233 . 1 . 1 24 24 CYS CB C 13 31.147 0.008 . . . . . . A 119 CYS CB . 30571 1 234 . 1 . 1 24 24 CYS N N 15 124.223 0.048 . . . . . . A 119 CYS N . 30571 1 235 . 1 . 1 25 25 ARG H H 1 8.325 0.017 . . . . . . A 120 ARG H . 30571 1 236 . 1 . 1 25 25 ARG HA H 1 4.115 0.012 . . . . . . A 120 ARG HA . 30571 1 237 . 1 . 1 25 25 ARG HB2 H 1 1.413 0.009 . . . . . . A 120 ARG HB2 . 30571 1 238 . 1 . 1 25 25 ARG HB3 H 1 1.629 0.007 . . . . . . A 120 ARG HB3 . 30571 1 239 . 1 . 1 25 25 ARG HG2 H 1 1.368 0.001 . . . . . . A 120 ARG HG2 . 30571 1 240 . 1 . 1 25 25 ARG HG3 H 1 1.165 0.010 . . . . . . A 120 ARG HG3 . 30571 1 241 . 1 . 1 25 25 ARG HD2 H 1 2.954 0.000 . . . . . . A 120 ARG HD2 . 30571 1 242 . 1 . 1 25 25 ARG HD3 H 1 2.983 0.000 . . . . . . A 120 ARG HD3 . 30571 1 243 . 1 . 1 25 25 ARG C C 13 175.055 0.067 . . . . . . A 120 ARG C . 30571 1 244 . 1 . 1 25 25 ARG CA C 13 56.544 0.016 . . . . . . A 120 ARG CA . 30571 1 245 . 1 . 1 25 25 ARG CB C 13 29.799 0.079 . . . . . . A 120 ARG CB . 30571 1 246 . 1 . 1 25 25 ARG CG C 13 26.999 0.026 . . . . . . A 120 ARG CG . 30571 1 247 . 1 . 1 25 25 ARG CD C 13 43.236 0.002 . . . . . . A 120 ARG CD . 30571 1 248 . 1 . 1 25 25 ARG N N 15 125.236 0.031 . . . . . . A 120 ARG N . 30571 1 249 . 1 . 1 26 26 PHE H H 1 9.201 0.014 . . . . . . A 121 PHE H . 30571 1 250 . 1 . 1 26 26 PHE HA H 1 4.712 0.013 . . . . . . A 121 PHE HA . 30571 1 251 . 1 . 1 26 26 PHE HB2 H 1 3.104 0.006 . . . . . . A 121 PHE HB2 . 30571 1 252 . 1 . 1 26 26 PHE HB3 H 1 3.066 0.009 . . . . . . A 121 PHE HB3 . 30571 1 253 . 1 . 1 26 26 PHE HD1 H 1 7.334 0.012 . . . . . . A 121 PHE HD1 . 30571 1 254 . 1 . 1 26 26 PHE HD2 H 1 7.334 0.012 . . . . . . A 121 PHE HD2 . 30571 1 255 . 1 . 1 26 26 PHE C C 13 174.334 0.005 . . . . . . A 121 PHE C . 30571 1 256 . 1 . 1 26 26 PHE CA C 13 56.902 0.016 . . . . . . A 121 PHE CA . 30571 1 257 . 1 . 1 26 26 PHE CB C 13 39.751 0.055 . . . . . . A 121 PHE CB . 30571 1 258 . 1 . 1 26 26 PHE CD1 C 13 132.395 0.000 . . . . . . A 121 PHE CD1 . 30571 1 259 . 1 . 1 26 26 PHE CD2 C 13 132.395 0.000 . . . . . . A 121 PHE CD2 . 30571 1 260 . 1 . 1 26 26 PHE N N 15 122.278 0.052 . . . . . . A 121 PHE N . 30571 1 261 . 1 . 1 27 27 ALA H H 1 9.039 0.015 . . . . . . A 122 ALA H . 30571 1 262 . 1 . 1 27 27 ALA HA H 1 3.969 0.008 . . . . . . A 122 ALA HA . 30571 1 263 . 1 . 1 27 27 ALA HB1 H 1 1.095 0.010 . . . . . . A 122 ALA HB1 . 30571 1 264 . 1 . 1 27 27 ALA HB2 H 1 1.095 0.010 . . . . . . A 122 ALA HB2 . 30571 1 265 . 1 . 1 27 27 ALA HB3 H 1 1.095 0.010 . . . . . . A 122 ALA HB3 . 30571 1 266 . 1 . 1 27 27 ALA C C 13 177.398 0.009 . . . . . . A 122 ALA C . 30571 1 267 . 1 . 1 27 27 ALA CA C 13 52.419 0.024 . . . . . . A 122 ALA CA . 30571 1 268 . 1 . 1 27 27 ALA CB C 13 19.712 0.014 . . . . . . A 122 ALA CB . 30571 1 269 . 1 . 1 27 27 ALA N N 15 121.435 0.063 . . . . . . A 122 ALA N . 30571 1 270 . 1 . 1 28 28 HIS H H 1 9.462 0.013 . . . . . . A 123 HIS H . 30571 1 271 . 1 . 1 28 28 HIS HA H 1 4.247 0.010 . . . . . . A 123 HIS HA . 30571 1 272 . 1 . 1 28 28 HIS HB2 H 1 2.745 0.000 . . . . . . A 123 HIS HB2 . 30571 1 273 . 1 . 1 28 28 HIS HB3 H 1 2.745 0.000 . . . . . . A 123 HIS HB3 . 30571 1 274 . 1 . 1 28 28 HIS HD2 H 1 6.512 0.016 . . . . . . A 123 HIS HD2 . 30571 1 275 . 1 . 1 28 28 HIS HE1 H 1 8.052 0.013 . . . . . . A 123 HIS HE1 . 30571 1 276 . 1 . 1 28 28 HIS C C 13 173.307 0.000 . . . . . . A 123 HIS C . 30571 1 277 . 1 . 1 28 28 HIS CA C 13 53.462 0.036 . . . . . . A 123 HIS CA . 30571 1 278 . 1 . 1 28 28 HIS CB C 13 26.127 0.000 . . . . . . A 123 HIS CB . 30571 1 279 . 1 . 1 28 28 HIS CD2 C 13 124.277 0.097 . . . . . . A 123 HIS CD2 . 30571 1 280 . 1 . 1 28 28 HIS CE1 C 13 139.875 0.010 . . . . . . A 123 HIS CE1 . 30571 1 281 . 1 . 1 28 28 HIS N N 15 128.712 0.155 . . . . . . A 123 HIS N . 30571 1 282 . 1 . 1 29 29 GLY HA2 H 1 3.821 0.006 . . . . . . A 124 GLY HA2 . 30571 1 283 . 1 . 1 29 29 GLY HA3 H 1 4.397 0.014 . . . . . . A 124 GLY HA3 . 30571 1 284 . 1 . 1 29 29 GLY C C 13 174.575 0.009 . . . . . . A 124 GLY C . 30571 1 285 . 1 . 1 29 29 GLY CA C 13 43.584 0.071 . . . . . . A 124 GLY CA . 30571 1 286 . 1 . 1 30 30 VAL H H 1 8.566 0.016 . . . . . . A 125 VAL H . 30571 1 287 . 1 . 1 30 30 VAL HA H 1 3.668 0.009 . . . . . . A 125 VAL HA . 30571 1 288 . 1 . 1 30 30 VAL HB H 1 2.160 0.006 . . . . . . A 125 VAL HB . 30571 1 289 . 1 . 1 30 30 VAL HG11 H 1 1.002 0.008 . . . . . . A 125 VAL HG11 . 30571 1 290 . 1 . 1 30 30 VAL HG12 H 1 1.002 0.008 . . . . . . A 125 VAL HG12 . 30571 1 291 . 1 . 1 30 30 VAL HG13 H 1 1.002 0.008 . . . . . . A 125 VAL HG13 . 30571 1 292 . 1 . 1 30 30 VAL HG21 H 1 0.996 0.009 . . . . . . A 125 VAL HG21 . 30571 1 293 . 1 . 1 30 30 VAL HG22 H 1 0.996 0.009 . . . . . . A 125 VAL HG22 . 30571 1 294 . 1 . 1 30 30 VAL HG23 H 1 0.996 0.009 . . . . . . A 125 VAL HG23 . 30571 1 295 . 1 . 1 30 30 VAL C C 13 177.695 0.010 . . . . . . A 125 VAL C . 30571 1 296 . 1 . 1 30 30 VAL CA C 13 64.889 0.005 . . . . . . A 125 VAL CA . 30571 1 297 . 1 . 1 30 30 VAL CB C 13 31.790 0.010 . . . . . . A 125 VAL CB . 30571 1 298 . 1 . 1 30 30 VAL CG1 C 13 21.362 0.018 . . . . . . A 125 VAL CG1 . 30571 1 299 . 1 . 1 30 30 VAL CG2 C 13 20.517 0.007 . . . . . . A 125 VAL CG2 . 30571 1 300 . 1 . 1 30 30 VAL N N 15 117.857 0.028 . . . . . . A 125 VAL N . 30571 1 301 . 1 . 1 31 31 HIS H H 1 8.327 0.005 . . . . . . A 126 HIS H . 30571 1 302 . 1 . 1 31 31 HIS HA H 1 4.452 0.010 . . . . . . A 126 HIS HA . 30571 1 303 . 1 . 1 31 31 HIS HB2 H 1 3.171 0.011 . . . . . . A 126 HIS HB2 . 30571 1 304 . 1 . 1 31 31 HIS HB3 H 1 3.056 0.011 . . . . . . A 126 HIS HB3 . 30571 1 305 . 1 . 1 31 31 HIS HD2 H 1 7.016 0.016 . . . . . . A 126 HIS HD2 . 30571 1 306 . 1 . 1 31 31 HIS HE1 H 1 7.907 0.016 . . . . . . A 126 HIS HE1 . 30571 1 307 . 1 . 1 31 31 HIS C C 13 176.248 0.006 . . . . . . A 126 HIS C . 30571 1 308 . 1 . 1 31 31 HIS CA C 13 58.036 0.008 . . . . . . A 126 HIS CA . 30571 1 309 . 1 . 1 31 31 HIS CB C 13 29.607 0.017 . . . . . . A 126 HIS CB . 30571 1 310 . 1 . 1 31 31 HIS CD2 C 13 118.441 0.049 . . . . . . A 126 HIS CD2 . 30571 1 311 . 1 . 1 31 31 HIS CE1 C 13 139.505 0.010 . . . . . . A 126 HIS CE1 . 30571 1 312 . 1 . 1 31 31 HIS N N 15 118.174 0.050 . . . . . . A 126 HIS N . 30571 1 313 . 1 . 1 32 32 GLU H H 1 6.952 0.012 . . . . . . A 127 GLU H . 30571 1 314 . 1 . 1 32 32 GLU HA H 1 4.153 0.006 . . . . . . A 127 GLU HA . 30571 1 315 . 1 . 1 32 32 GLU HB2 H 1 1.601 0.010 . . . . . . A 127 GLU HB2 . 30571 1 316 . 1 . 1 32 32 GLU HB3 H 1 1.920 0.008 . . . . . . A 127 GLU HB3 . 30571 1 317 . 1 . 1 32 32 GLU HG2 H 1 1.728 0.008 . . . . . . A 127 GLU HG2 . 30571 1 318 . 1 . 1 32 32 GLU HG3 H 1 1.849 0.009 . . . . . . A 127 GLU HG3 . 30571 1 319 . 1 . 1 32 32 GLU C C 13 176.022 0.017 . . . . . . A 127 GLU C . 30571 1 320 . 1 . 1 32 32 GLU CA C 13 56.058 0.074 . . . . . . A 127 GLU CA . 30571 1 321 . 1 . 1 32 32 GLU CB C 13 31.358 0.064 . . . . . . A 127 GLU CB . 30571 1 322 . 1 . 1 32 32 GLU CG C 13 36.403 0.009 . . . . . . A 127 GLU CG . 30571 1 323 . 1 . 1 32 32 GLU N N 15 117.746 0.043 . . . . . . A 127 GLU N . 30571 1 324 . 1 . 1 33 33 LEU H H 1 7.106 0.012 . . . . . . A 128 LEU H . 30571 1 325 . 1 . 1 33 33 LEU HA H 1 4.119 0.009 . . . . . . A 128 LEU HA . 30571 1 326 . 1 . 1 33 33 LEU HB2 H 1 1.415 0.008 . . . . . . A 128 LEU HB2 . 30571 1 327 . 1 . 1 33 33 LEU HB3 H 1 1.577 0.006 . . . . . . A 128 LEU HB3 . 30571 1 328 . 1 . 1 33 33 LEU HG H 1 1.341 0.009 . . . . . . A 128 LEU HG . 30571 1 329 . 1 . 1 33 33 LEU HD11 H 1 0.613 0.010 . . . . . . A 128 LEU HD11 . 30571 1 330 . 1 . 1 33 33 LEU HD12 H 1 0.613 0.010 . . . . . . A 128 LEU HD12 . 30571 1 331 . 1 . 1 33 33 LEU HD13 H 1 0.613 0.010 . . . . . . A 128 LEU HD13 . 30571 1 332 . 1 . 1 33 33 LEU HD21 H 1 0.813 0.012 . . . . . . A 128 LEU HD21 . 30571 1 333 . 1 . 1 33 33 LEU HD22 H 1 0.813 0.012 . . . . . . A 128 LEU HD22 . 30571 1 334 . 1 . 1 33 33 LEU HD23 H 1 0.813 0.012 . . . . . . A 128 LEU HD23 . 30571 1 335 . 1 . 1 33 33 LEU C C 13 177.055 0.018 . . . . . . A 128 LEU C . 30571 1 336 . 1 . 1 33 33 LEU CA C 13 55.555 0.034 . . . . . . A 128 LEU CA . 30571 1 337 . 1 . 1 33 33 LEU CB C 13 42.844 0.028 . . . . . . A 128 LEU CB . 30571 1 338 . 1 . 1 33 33 LEU CG C 13 26.885 0.034 . . . . . . A 128 LEU CG . 30571 1 339 . 1 . 1 33 33 LEU CD1 C 13 23.998 0.013 . . . . . . A 128 LEU CD1 . 30571 1 340 . 1 . 1 33 33 LEU CD2 C 13 25.313 0.096 . . . . . . A 128 LEU CD2 . 30571 1 341 . 1 . 1 33 33 LEU N N 15 119.847 0.028 . . . . . . A 128 LEU N . 30571 1 342 . 1 . 1 34 34 ARG H H 1 8.432 0.015 . . . . . . A 129 ARG H . 30571 1 343 . 1 . 1 34 34 ARG HA H 1 4.316 0.013 . . . . . . A 129 ARG HA . 30571 1 344 . 1 . 1 34 34 ARG HB2 H 1 1.735 0.011 . . . . . . A 129 ARG HB2 . 30571 1 345 . 1 . 1 34 34 ARG HB3 H 1 1.556 0.010 . . . . . . A 129 ARG HB3 . 30571 1 346 . 1 . 1 34 34 ARG HG2 H 1 1.502 0.004 . . . . . . A 129 ARG HG2 . 30571 1 347 . 1 . 1 34 34 ARG HD2 H 1 3.133 0.008 . . . . . . A 129 ARG HD2 . 30571 1 348 . 1 . 1 34 34 ARG HD3 H 1 3.098 0.003 . . . . . . A 129 ARG HD3 . 30571 1 349 . 1 . 1 34 34 ARG C C 13 175.317 0.017 . . . . . . A 129 ARG C . 30571 1 350 . 1 . 1 34 34 ARG CA C 13 55.188 0.050 . . . . . . A 129 ARG CA . 30571 1 351 . 1 . 1 34 34 ARG CB C 13 30.925 0.086 . . . . . . A 129 ARG CB . 30571 1 352 . 1 . 1 34 34 ARG CG C 13 27.303 0.109 . . . . . . A 129 ARG CG . 30571 1 353 . 1 . 1 34 34 ARG CD C 13 43.450 0.034 . . . . . . A 129 ARG CD . 30571 1 354 . 1 . 1 34 34 ARG N N 15 123.685 0.061 . . . . . . A 129 ARG N . 30571 1 355 . 1 . 1 35 35 LEU H H 1 8.142 0.023 . . . . . . A 130 LEU H . 30571 1 356 . 1 . 1 35 35 LEU HA H 1 4.578 0.006 . . . . . . A 130 LEU HA . 30571 1 357 . 1 . 1 35 35 LEU HB2 H 1 1.546 0.006 . . . . . . A 130 LEU HB2 . 30571 1 358 . 1 . 1 35 35 LEU HB3 H 1 1.524 0.018 . . . . . . A 130 LEU HB3 . 30571 1 359 . 1 . 1 35 35 LEU HG H 1 1.607 0.013 . . . . . . A 130 LEU HG . 30571 1 360 . 1 . 1 35 35 LEU HD11 H 1 0.882 0.002 . . . . . . A 130 LEU HD11 . 30571 1 361 . 1 . 1 35 35 LEU HD12 H 1 0.882 0.002 . . . . . . A 130 LEU HD12 . 30571 1 362 . 1 . 1 35 35 LEU HD13 H 1 0.882 0.002 . . . . . . A 130 LEU HD13 . 30571 1 363 . 1 . 1 35 35 LEU HD21 H 1 0.905 0.001 . . . . . . A 130 LEU HD21 . 30571 1 364 . 1 . 1 35 35 LEU HD22 H 1 0.905 0.001 . . . . . . A 130 LEU HD22 . 30571 1 365 . 1 . 1 35 35 LEU HD23 H 1 0.905 0.001 . . . . . . A 130 LEU HD23 . 30571 1 366 . 1 . 1 35 35 LEU CA C 13 52.792 0.006 . . . . . . A 130 LEU CA . 30571 1 367 . 1 . 1 35 35 LEU CB C 13 41.958 0.063 . . . . . . A 130 LEU CB . 30571 1 368 . 1 . 1 35 35 LEU CG C 13 27.258 0.076 . . . . . . A 130 LEU CG . 30571 1 369 . 1 . 1 35 35 LEU CD1 C 13 23.460 0.005 . . . . . . A 130 LEU CD1 . 30571 1 370 . 1 . 1 35 35 LEU CD2 C 13 25.398 0.036 . . . . . . A 130 LEU CD2 . 30571 1 371 . 1 . 1 35 35 LEU N N 15 123.493 0.020 . . . . . . A 130 LEU N . 30571 1 372 . 1 . 1 36 36 PRO HA H 1 4.358 0.007 . . . . . . A 131 PRO HA . 30571 1 373 . 1 . 1 36 36 PRO HB2 H 1 2.225 0.011 . . . . . . A 131 PRO HB2 . 30571 1 374 . 1 . 1 36 36 PRO HB3 H 1 1.863 0.008 . . . . . . A 131 PRO HB3 . 30571 1 375 . 1 . 1 36 36 PRO HG2 H 1 2.008 0.013 . . . . . . A 131 PRO HG2 . 30571 1 376 . 1 . 1 36 36 PRO HG3 H 1 1.982 0.006 . . . . . . A 131 PRO HG3 . 30571 1 377 . 1 . 1 36 36 PRO HD2 H 1 3.797 0.005 . . . . . . A 131 PRO HD2 . 30571 1 378 . 1 . 1 36 36 PRO HD3 H 1 3.617 0.004 . . . . . . A 131 PRO HD3 . 30571 1 379 . 1 . 1 36 36 PRO C C 13 176.685 0.017 . . . . . . A 131 PRO C . 30571 1 380 . 1 . 1 36 36 PRO CA C 13 63.019 0.019 . . . . . . A 131 PRO CA . 30571 1 381 . 1 . 1 36 36 PRO CB C 13 32.062 0.016 . . . . . . A 131 PRO CB . 30571 1 382 . 1 . 1 36 36 PRO CG C 13 27.460 0.039 . . . . . . A 131 PRO CG . 30571 1 383 . 1 . 1 36 36 PRO CD C 13 50.525 0.016 . . . . . . A 131 PRO CD . 30571 1 384 . 1 . 1 37 37 MET H H 1 8.408 0.028 . . . . . . A 132 MET H . 30571 1 385 . 1 . 1 37 37 MET HA H 1 4.366 0.008 . . . . . . A 132 MET HA . 30571 1 386 . 1 . 1 37 37 MET HB2 H 1 1.953 0.004 . . . . . . A 132 MET HB2 . 30571 1 387 . 1 . 1 37 37 MET HB3 H 1 1.982 0.007 . . . . . . A 132 MET HB3 . 30571 1 388 . 1 . 1 37 37 MET HG2 H 1 2.538 0.012 . . . . . . A 132 MET HG2 . 30571 1 389 . 1 . 1 37 37 MET HG3 H 1 2.496 0.016 . . . . . . A 132 MET HG3 . 30571 1 390 . 1 . 1 37 37 MET HE1 H 1 2.048 0.006 . . . . . . A 132 MET HE1 . 30571 1 391 . 1 . 1 37 37 MET HE2 H 1 2.048 0.006 . . . . . . A 132 MET HE2 . 30571 1 392 . 1 . 1 37 37 MET HE3 H 1 2.048 0.006 . . . . . . A 132 MET HE3 . 30571 1 393 . 1 . 1 37 37 MET C C 13 175.726 0.007 . . . . . . A 132 MET C . 30571 1 394 . 1 . 1 37 37 MET CA C 13 55.611 0.097 . . . . . . A 132 MET CA . 30571 1 395 . 1 . 1 37 37 MET CB C 13 33.119 0.016 . . . . . . A 132 MET CB . 30571 1 396 . 1 . 1 37 37 MET CG C 13 32.032 0.023 . . . . . . A 132 MET CG . 30571 1 397 . 1 . 1 37 37 MET CE C 13 17.101 0.045 . . . . . . A 132 MET CE . 30571 1 398 . 1 . 1 37 37 MET N N 15 120.170 0.044 . . . . . . A 132 MET N . 30571 1 399 . 1 . 1 38 38 ASN H H 1 8.422 0.051 . . . . . . A 133 ASN H . 30571 1 400 . 1 . 1 38 38 ASN HA H 1 4.932 0.000 . . . . . . A 133 ASN HA . 30571 1 401 . 1 . 1 38 38 ASN HB2 H 1 2.803 0.002 . . . . . . A 133 ASN HB2 . 30571 1 402 . 1 . 1 38 38 ASN HB3 H 1 2.669 0.005 . . . . . . A 133 ASN HB3 . 30571 1 403 . 1 . 1 38 38 ASN C C 13 173.549 0.000 . . . . . . A 133 ASN C . 30571 1 404 . 1 . 1 38 38 ASN CA C 13 51.304 0.011 . . . . . . A 133 ASN CA . 30571 1 405 . 1 . 1 38 38 ASN CB C 13 38.950 0.035 . . . . . . A 133 ASN CB . 30571 1 406 . 1 . 1 38 38 ASN N N 15 120.617 0.083 . . . . . . A 133 ASN N . 30571 1 407 . 1 . 1 39 39 PRO HA H 1 4.358 0.007 . . . . . . A 134 PRO HA . 30571 1 408 . 1 . 1 39 39 PRO HB2 H 1 2.231 0.012 . . . . . . A 134 PRO HB2 . 30571 1 409 . 1 . 1 39 39 PRO HB3 H 1 1.913 0.002 . . . . . . A 134 PRO HB3 . 30571 1 410 . 1 . 1 39 39 PRO HG2 H 1 1.974 0.005 . . . . . . A 134 PRO HG2 . 30571 1 411 . 1 . 1 39 39 PRO HG3 H 1 1.973 0.000 . . . . . . A 134 PRO HG3 . 30571 1 412 . 1 . 1 39 39 PRO HD2 H 1 3.757 0.001 . . . . . . A 134 PRO HD2 . 30571 1 413 . 1 . 1 39 39 PRO HD3 H 1 3.710 0.005 . . . . . . A 134 PRO HD3 . 30571 1 414 . 1 . 1 39 39 PRO C C 13 177.087 0.000 . . . . . . A 134 PRO C . 30571 1 415 . 1 . 1 39 39 PRO CA C 13 63.737 0.039 . . . . . . A 134 PRO CA . 30571 1 416 . 1 . 1 39 39 PRO CB C 13 32.170 0.021 . . . . . . A 134 PRO CB . 30571 1 417 . 1 . 1 39 39 PRO CG C 13 27.446 0.045 . . . . . . A 134 PRO CG . 30571 1 418 . 1 . 1 39 39 PRO CD C 13 50.832 0.059 . . . . . . A 134 PRO CD . 30571 1 419 . 1 . 1 40 40 ARG H H 1 8.325 0.022 . . . . . . A 135 ARG H . 30571 1 420 . 1 . 1 40 40 ARG HA H 1 4.280 0.009 . . . . . . A 135 ARG HA . 30571 1 421 . 1 . 1 40 40 ARG HB2 H 1 1.848 0.003 . . . . . . A 135 ARG HB2 . 30571 1 422 . 1 . 1 40 40 ARG HB3 H 1 1.742 0.007 . . . . . . A 135 ARG HB3 . 30571 1 423 . 1 . 1 40 40 ARG HD2 H 1 3.139 0.000 . . . . . . A 135 ARG HD2 . 30571 1 424 . 1 . 1 40 40 ARG HD3 H 1 3.131 0.000 . . . . . . A 135 ARG HD3 . 30571 1 425 . 1 . 1 40 40 ARG C C 13 176.943 0.026 . . . . . . A 135 ARG C . 30571 1 426 . 1 . 1 40 40 ARG CA C 13 56.365 0.023 . . . . . . A 135 ARG CA . 30571 1 427 . 1 . 1 40 40 ARG CB C 13 30.607 0.018 . . . . . . A 135 ARG CB . 30571 1 428 . 1 . 1 40 40 ARG CD C 13 43.357 0.014 . . . . . . A 135 ARG CD . 30571 1 429 . 1 . 1 40 40 ARG N N 15 119.886 0.088 . . . . . . A 135 ARG N . 30571 1 430 . 1 . 1 41 41 GLY H H 1 8.246 0.011 . . . . . . A 136 GLY H . 30571 1 431 . 1 . 1 41 41 GLY HA2 H 1 3.936 0.000 . . . . . . A 136 GLY HA2 . 30571 1 432 . 1 . 1 41 41 GLY HA3 H 1 3.919 0.000 . . . . . . A 136 GLY HA3 . 30571 1 433 . 1 . 1 41 41 GLY C C 13 174.108 0.008 . . . . . . A 136 GLY C . 30571 1 434 . 1 . 1 41 41 GLY CA C 13 45.575 0.024 . . . . . . A 136 GLY CA . 30571 1 435 . 1 . 1 41 41 GLY N N 15 109.352 0.057 . . . . . . A 136 GLY N . 30571 1 436 . 1 . 1 42 42 ARG H H 1 8.168 0.009 . . . . . . A 137 ARG H . 30571 1 437 . 1 . 1 42 42 ARG HA H 1 4.202 0.010 . . . . . . A 137 ARG HA . 30571 1 438 . 1 . 1 42 42 ARG HB2 H 1 1.758 0.008 . . . . . . A 137 ARG HB2 . 30571 1 439 . 1 . 1 42 42 ARG HB3 H 1 1.672 0.001 . . . . . . A 137 ARG HB3 . 30571 1 440 . 1 . 1 42 42 ARG HG2 H 1 1.550 0.000 . . . . . . A 137 ARG HG2 . 30571 1 441 . 1 . 1 42 42 ARG HG3 H 1 1.535 0.000 . . . . . . A 137 ARG HG3 . 30571 1 442 . 1 . 1 42 42 ARG HD2 H 1 3.131 0.003 . . . . . . A 137 ARG HD2 . 30571 1 443 . 1 . 1 42 42 ARG C C 13 175.992 0.000 . . . . . . A 137 ARG C . 30571 1 444 . 1 . 1 42 42 ARG CA C 13 56.249 0.090 . . . . . . A 137 ARG CA . 30571 1 445 . 1 . 1 42 42 ARG CB C 13 30.752 0.009 . . . . . . A 137 ARG CB . 30571 1 446 . 1 . 1 42 42 ARG CG C 13 27.105 0.018 . . . . . . A 137 ARG CG . 30571 1 447 . 1 . 1 42 42 ARG CD C 13 43.438 0.022 . . . . . . A 137 ARG CD . 30571 1 448 . 1 . 1 42 42 ARG N N 15 120.069 0.032 . . . . . . A 137 ARG N . 30571 1 449 . 1 . 1 44 44 HIS HA H 1 4.742 0.000 . . . . . . A 139 HIS HA . 30571 1 450 . 1 . 1 44 44 HIS HB2 H 1 3.031 0.002 . . . . . . A 139 HIS HB2 . 30571 1 451 . 1 . 1 44 44 HIS HB3 H 1 2.990 0.005 . . . . . . A 139 HIS HB3 . 30571 1 452 . 1 . 1 44 44 HIS HD2 H 1 7.056 0.010 . . . . . . A 139 HIS HD2 . 30571 1 453 . 1 . 1 44 44 HIS HE1 H 1 7.824 0.000 . . . . . . A 139 HIS HE1 . 30571 1 454 . 1 . 1 44 44 HIS CA C 13 54.898 0.000 . . . . . . A 139 HIS CA . 30571 1 455 . 1 . 1 44 44 HIS CB C 13 30.804 0.039 . . . . . . A 139 HIS CB . 30571 1 456 . 1 . 1 44 44 HIS CD2 C 13 120.228 0.000 . . . . . . A 139 HIS CD2 . 30571 1 457 . 1 . 1 44 44 HIS CE1 C 13 138.374 0.000 . . . . . . A 139 HIS CE1 . 30571 1 458 . 1 . 1 45 45 PRO HA H 1 4.343 0.008 . . . . . . A 140 PRO HA . 30571 1 459 . 1 . 1 45 45 PRO HB2 H 1 2.198 0.003 . . . . . . A 140 PRO HB2 . 30571 1 460 . 1 . 1 45 45 PRO HB3 H 1 1.733 0.002 . . . . . . A 140 PRO HB3 . 30571 1 461 . 1 . 1 45 45 PRO HG2 H 1 1.909 0.000 . . . . . . A 140 PRO HG2 . 30571 1 462 . 1 . 1 45 45 PRO HG3 H 1 1.870 0.009 . . . . . . A 140 PRO HG3 . 30571 1 463 . 1 . 1 45 45 PRO HD2 H 1 3.237 0.003 . . . . . . A 140 PRO HD2 . 30571 1 464 . 1 . 1 45 45 PRO HD3 H 1 3.657 0.003 . . . . . . A 140 PRO HD3 . 30571 1 465 . 1 . 1 45 45 PRO C C 13 176.910 0.000 . . . . . . A 140 PRO C . 30571 1 466 . 1 . 1 45 45 PRO CA C 13 63.570 0.024 . . . . . . A 140 PRO CA . 30571 1 467 . 1 . 1 45 45 PRO CB C 13 32.241 0.037 . . . . . . A 140 PRO CB . 30571 1 468 . 1 . 1 45 45 PRO CG C 13 27.411 0.011 . . . . . . A 140 PRO CG . 30571 1 469 . 1 . 1 45 45 PRO CD C 13 50.673 0.012 . . . . . . A 140 PRO CD . 30571 1 470 . 1 . 1 46 46 LYS H H 1 8.845 0.024 . . . . . . A 141 LYS H . 30571 1 471 . 1 . 1 46 46 LYS HA H 1 4.214 0.011 . . . . . . A 141 LYS HA . 30571 1 472 . 1 . 1 46 46 LYS HB2 H 1 1.667 0.000 . . . . . . A 141 LYS HB2 . 30571 1 473 . 1 . 1 46 46 LYS HB3 H 1 1.700 0.007 . . . . . . A 141 LYS HB3 . 30571 1 474 . 1 . 1 46 46 LYS HG2 H 1 1.323 0.006 . . . . . . A 141 LYS HG2 . 30571 1 475 . 1 . 1 46 46 LYS HG3 H 1 1.264 0.003 . . . . . . A 141 LYS HG3 . 30571 1 476 . 1 . 1 46 46 LYS HE2 H 1 2.924 0.000 . . . . . . A 141 LYS HE2 . 30571 1 477 . 1 . 1 46 46 LYS HE3 H 1 2.923 0.000 . . . . . . A 141 LYS HE3 . 30571 1 478 . 1 . 1 46 46 LYS C C 13 176.675 0.018 . . . . . . A 141 LYS C . 30571 1 479 . 1 . 1 46 46 LYS CA C 13 56.517 0.062 . . . . . . A 141 LYS CA . 30571 1 480 . 1 . 1 46 46 LYS CB C 13 32.821 0.025 . . . . . . A 141 LYS CB . 30571 1 481 . 1 . 1 46 46 LYS CG C 13 24.911 0.046 . . . . . . A 141 LYS CG . 30571 1 482 . 1 . 1 46 46 LYS CE C 13 42.159 0.006 . . . . . . A 141 LYS CE . 30571 1 483 . 1 . 1 46 46 LYS N N 15 121.013 0.058 . . . . . . A 141 LYS N . 30571 1 484 . 1 . 1 47 47 TYR H H 1 8.053 0.020 . . . . . . A 142 TYR H . 30571 1 485 . 1 . 1 47 47 TYR HA H 1 4.485 0.012 . . . . . . A 142 TYR HA . 30571 1 486 . 1 . 1 47 47 TYR HB2 H 1 2.939 0.019 . . . . . . A 142 TYR HB2 . 30571 1 487 . 1 . 1 47 47 TYR HB3 H 1 2.993 0.014 . . . . . . A 142 TYR HB3 . 30571 1 488 . 1 . 1 47 47 TYR HD1 H 1 7.060 0.012 . . . . . . A 142 TYR HD1 . 30571 1 489 . 1 . 1 47 47 TYR HD2 H 1 7.060 0.012 . . . . . . A 142 TYR HD2 . 30571 1 490 . 1 . 1 47 47 TYR HE1 H 1 6.751 0.012 . . . . . . A 142 TYR HE1 . 30571 1 491 . 1 . 1 47 47 TYR HE2 H 1 6.751 0.012 . . . . . . A 142 TYR HE2 . 30571 1 492 . 1 . 1 47 47 TYR C C 13 175.220 0.044 . . . . . . A 142 TYR C . 30571 1 493 . 1 . 1 47 47 TYR CA C 13 58.047 0.033 . . . . . . A 142 TYR CA . 30571 1 494 . 1 . 1 47 47 TYR CB C 13 38.983 0.045 . . . . . . A 142 TYR CB . 30571 1 495 . 1 . 1 47 47 TYR CD1 C 13 133.262 0.000 . . . . . . A 142 TYR CD1 . 30571 1 496 . 1 . 1 47 47 TYR CD2 C 13 133.262 0.000 . . . . . . A 142 TYR CD2 . 30571 1 497 . 1 . 1 47 47 TYR CE1 C 13 118.276 0.000 . . . . . . A 142 TYR CE1 . 30571 1 498 . 1 . 1 47 47 TYR CE2 C 13 118.276 0.000 . . . . . . A 142 TYR CE2 . 30571 1 499 . 1 . 1 47 47 TYR N N 15 121.516 0.134 . . . . . . A 142 TYR N . 30571 1 500 . 1 . 1 48 48 LYS H H 1 8.211 0.009 . . . . . . A 143 LYS H . 30571 1 501 . 1 . 1 48 48 LYS HA H 1 4.066 0.011 . . . . . . A 143 LYS HA . 30571 1 502 . 1 . 1 48 48 LYS HB2 H 1 1.651 0.000 . . . . . . A 143 LYS HB2 . 30571 1 503 . 1 . 1 48 48 LYS HB3 H 1 1.631 0.000 . . . . . . A 143 LYS HB3 . 30571 1 504 . 1 . 1 48 48 LYS HG2 H 1 1.139 0.000 . . . . . . A 143 LYS HG2 . 30571 1 505 . 1 . 1 48 48 LYS HG3 H 1 1.113 0.000 . . . . . . A 143 LYS HG3 . 30571 1 506 . 1 . 1 48 48 LYS HD2 H 1 1.386 0.008 . . . . . . A 143 LYS HD2 . 30571 1 507 . 1 . 1 48 48 LYS HD3 H 1 1.359 0.002 . . . . . . A 143 LYS HD3 . 30571 1 508 . 1 . 1 48 48 LYS HE2 H 1 2.838 0.000 . . . . . . A 143 LYS HE2 . 30571 1 509 . 1 . 1 48 48 LYS HE3 H 1 2.838 0.000 . . . . . . A 143 LYS HE3 . 30571 1 510 . 1 . 1 48 48 LYS C C 13 175.630 0.070 . . . . . . A 143 LYS C . 30571 1 511 . 1 . 1 48 48 LYS CA C 13 56.693 0.042 . . . . . . A 143 LYS CA . 30571 1 512 . 1 . 1 48 48 LYS CB C 13 32.442 0.010 . . . . . . A 143 LYS CB . 30571 1 513 . 1 . 1 48 48 LYS CG C 13 24.805 0.000 . . . . . . A 143 LYS CG . 30571 1 514 . 1 . 1 48 48 LYS CD C 13 29.192 0.030 . . . . . . A 143 LYS CD . 30571 1 515 . 1 . 1 48 48 LYS CE C 13 42.388 0.000 . . . . . . A 143 LYS CE . 30571 1 516 . 1 . 1 48 48 LYS N N 15 121.778 0.063 . . . . . . A 143 LYS N . 30571 1 517 . 1 . 1 49 49 THR H H 1 8.402 0.024 . . . . . . A 144 THR H . 30571 1 518 . 1 . 1 49 49 THR HA H 1 4.461 0.006 . . . . . . A 144 THR HA . 30571 1 519 . 1 . 1 49 49 THR HB H 1 4.236 0.008 . . . . . . A 144 THR HB . 30571 1 520 . 1 . 1 49 49 THR HG21 H 1 1.138 0.009 . . . . . . A 144 THR HG21 . 30571 1 521 . 1 . 1 49 49 THR HG22 H 1 1.138 0.009 . . . . . . A 144 THR HG22 . 30571 1 522 . 1 . 1 49 49 THR HG23 H 1 1.138 0.009 . . . . . . A 144 THR HG23 . 30571 1 523 . 1 . 1 49 49 THR C C 13 174.217 0.014 . . . . . . A 144 THR C . 30571 1 524 . 1 . 1 49 49 THR CA C 13 61.979 0.023 . . . . . . A 144 THR CA . 30571 1 525 . 1 . 1 49 49 THR CB C 13 70.579 0.024 . . . . . . A 144 THR CB . 30571 1 526 . 1 . 1 49 49 THR CG2 C 13 21.949 0.032 . . . . . . A 144 THR CG2 . 30571 1 527 . 1 . 1 49 49 THR N N 15 111.228 0.129 . . . . . . A 144 THR N . 30571 1 528 . 1 . 1 50 50 VAL H H 1 8.056 0.016 . . . . . . A 145 VAL H . 30571 1 529 . 1 . 1 50 50 VAL HA H 1 4.355 0.006 . . . . . . A 145 VAL HA . 30571 1 530 . 1 . 1 50 50 VAL HB H 1 2.186 0.012 . . . . . . A 145 VAL HB . 30571 1 531 . 1 . 1 50 50 VAL HG11 H 1 0.961 0.006 . . . . . . A 145 VAL HG11 . 30571 1 532 . 1 . 1 50 50 VAL HG12 H 1 0.961 0.006 . . . . . . A 145 VAL HG12 . 30571 1 533 . 1 . 1 50 50 VAL HG13 H 1 0.961 0.006 . . . . . . A 145 VAL HG13 . 30571 1 534 . 1 . 1 50 50 VAL HG21 H 1 0.933 0.001 . . . . . . A 145 VAL HG21 . 30571 1 535 . 1 . 1 50 50 VAL HG22 H 1 0.933 0.001 . . . . . . A 145 VAL HG22 . 30571 1 536 . 1 . 1 50 50 VAL HG23 H 1 0.933 0.001 . . . . . . A 145 VAL HG23 . 30571 1 537 . 1 . 1 50 50 VAL C C 13 175.539 0.060 . . . . . . A 145 VAL C . 30571 1 538 . 1 . 1 50 50 VAL CA C 13 61.475 0.026 . . . . . . A 145 VAL CA . 30571 1 539 . 1 . 1 50 50 VAL CB C 13 34.412 0.016 . . . . . . A 145 VAL CB . 30571 1 540 . 1 . 1 50 50 VAL CG1 C 13 21.164 0.015 . . . . . . A 145 VAL CG1 . 30571 1 541 . 1 . 1 50 50 VAL CG2 C 13 21.390 0.012 . . . . . . A 145 VAL CG2 . 30571 1 542 . 1 . 1 50 50 VAL N N 15 122.890 0.138 . . . . . . A 145 VAL N . 30571 1 543 . 1 . 1 51 51 LEU H H 1 8.530 0.028 . . . . . . A 146 LEU H . 30571 1 544 . 1 . 1 51 51 LEU HA H 1 4.327 0.007 . . . . . . A 146 LEU HA . 30571 1 545 . 1 . 1 51 51 LEU HB2 H 1 1.679 0.005 . . . . . . A 146 LEU HB2 . 30571 1 546 . 1 . 1 51 51 LEU HB3 H 1 1.451 0.008 . . . . . . A 146 LEU HB3 . 30571 1 547 . 1 . 1 51 51 LEU HG H 1 1.679 0.006 . . . . . . A 146 LEU HG . 30571 1 548 . 1 . 1 51 51 LEU HD11 H 1 0.842 0.016 . . . . . . A 146 LEU HD11 . 30571 1 549 . 1 . 1 51 51 LEU HD12 H 1 0.842 0.016 . . . . . . A 146 LEU HD12 . 30571 1 550 . 1 . 1 51 51 LEU HD13 H 1 0.842 0.016 . . . . . . A 146 LEU HD13 . 30571 1 551 . 1 . 1 51 51 LEU HD21 H 1 0.906 0.009 . . . . . . A 146 LEU HD21 . 30571 1 552 . 1 . 1 51 51 LEU HD22 H 1 0.906 0.009 . . . . . . A 146 LEU HD22 . 30571 1 553 . 1 . 1 51 51 LEU HD23 H 1 0.906 0.009 . . . . . . A 146 LEU HD23 . 30571 1 554 . 1 . 1 51 51 LEU C C 13 176.496 0.045 . . . . . . A 146 LEU C . 30571 1 555 . 1 . 1 51 51 LEU CA C 13 55.654 0.055 . . . . . . A 146 LEU CA . 30571 1 556 . 1 . 1 51 51 LEU CB C 13 43.018 0.010 . . . . . . A 146 LEU CB . 30571 1 557 . 1 . 1 51 51 LEU CG C 13 27.423 0.014 . . . . . . A 146 LEU CG . 30571 1 558 . 1 . 1 51 51 LEU CD1 C 13 24.165 0.018 . . . . . . A 146 LEU CD1 . 30571 1 559 . 1 . 1 51 51 LEU CD2 C 13 25.098 0.014 . . . . . . A 146 LEU CD2 . 30571 1 560 . 1 . 1 51 51 LEU N N 15 125.890 0.085 . . . . . . A 146 LEU N . 30571 1 561 . 1 . 1 52 52 CYS H H 1 8.887 0.008 . . . . . . A 147 CYS H . 30571 1 562 . 1 . 1 52 52 CYS HA H 1 3.919 0.000 . . . . . . A 147 CYS HA . 30571 1 563 . 1 . 1 52 52 CYS HB2 H 1 3.321 0.000 . . . . . . A 147 CYS HB2 . 30571 1 564 . 1 . 1 52 52 CYS HB3 H 1 3.004 0.000 . . . . . . A 147 CYS HB3 . 30571 1 565 . 1 . 1 52 52 CYS C C 13 175.841 0.039 . . . . . . A 147 CYS C . 30571 1 566 . 1 . 1 52 52 CYS CA C 13 60.183 0.000 . . . . . . A 147 CYS CA . 30571 1 567 . 1 . 1 52 52 CYS CB C 13 31.837 0.013 . . . . . . A 147 CYS CB . 30571 1 568 . 1 . 1 52 52 CYS N N 15 124.911 0.017 . . . . . . A 147 CYS N . 30571 1 569 . 1 . 1 53 53 ASP H H 1 8.791 0.009 . . . . . . A 148 ASP H . 30571 1 570 . 1 . 1 53 53 ASP HA H 1 4.314 0.012 . . . . . . A 148 ASP HA . 30571 1 571 . 1 . 1 53 53 ASP HB2 H 1 2.672 0.015 . . . . . . A 148 ASP HB2 . 30571 1 572 . 1 . 1 53 53 ASP HB3 H 1 2.657 0.000 . . . . . . A 148 ASP HB3 . 30571 1 573 . 1 . 1 53 53 ASP C C 13 177.653 0.009 . . . . . . A 148 ASP C . 30571 1 574 . 1 . 1 53 53 ASP CA C 13 57.602 0.055 . . . . . . A 148 ASP CA . 30571 1 575 . 1 . 1 53 53 ASP CB C 13 40.535 0.000 . . . . . . A 148 ASP CB . 30571 1 576 . 1 . 1 53 53 ASP N N 15 133.072 0.060 . . . . . . A 148 ASP N . 30571 1 577 . 1 . 1 54 54 LYS H H 1 8.269 0.010 . . . . . . A 149 LYS H . 30571 1 578 . 1 . 1 54 54 LYS HA H 1 4.178 0.010 . . . . . . A 149 LYS HA . 30571 1 579 . 1 . 1 54 54 LYS HB2 H 1 2.078 0.011 . . . . . . A 149 LYS HB2 . 30571 1 580 . 1 . 1 54 54 LYS HB3 H 1 2.070 0.000 . . . . . . A 149 LYS HB3 . 30571 1 581 . 1 . 1 54 54 LYS HG2 H 1 1.676 0.004 . . . . . . A 149 LYS HG2 . 30571 1 582 . 1 . 1 54 54 LYS HG3 H 1 1.656 0.009 . . . . . . A 149 LYS HG3 . 30571 1 583 . 1 . 1 54 54 LYS HD2 H 1 1.744 0.000 . . . . . . A 149 LYS HD2 . 30571 1 584 . 1 . 1 54 54 LYS HD3 H 1 1.744 0.000 . . . . . . A 149 LYS HD3 . 30571 1 585 . 1 . 1 54 54 LYS HE2 H 1 3.059 0.000 . . . . . . A 149 LYS HE2 . 30571 1 586 . 1 . 1 54 54 LYS HE3 H 1 3.054 0.000 . . . . . . A 149 LYS HE3 . 30571 1 587 . 1 . 1 54 54 LYS C C 13 180.048 0.014 . . . . . . A 149 LYS C . 30571 1 588 . 1 . 1 54 54 LYS CA C 13 58.833 0.015 . . . . . . A 149 LYS CA . 30571 1 589 . 1 . 1 54 54 LYS CB C 13 32.073 0.000 . . . . . . A 149 LYS CB . 30571 1 590 . 1 . 1 54 54 LYS CG C 13 24.718 0.010 . . . . . . A 149 LYS CG . 30571 1 591 . 1 . 1 54 54 LYS CD C 13 28.201 0.000 . . . . . . A 149 LYS CD . 30571 1 592 . 1 . 1 54 54 LYS CE C 13 42.313 0.010 . . . . . . A 149 LYS CE . 30571 1 593 . 1 . 1 54 54 LYS N N 15 120.741 0.038 . . . . . . A 149 LYS N . 30571 1 594 . 1 . 1 55 55 PHE H H 1 9.183 0.011 . . . . . . A 150 PHE H . 30571 1 595 . 1 . 1 55 55 PHE HA H 1 3.736 0.014 . . . . . . A 150 PHE HA . 30571 1 596 . 1 . 1 55 55 PHE HB2 H 1 2.815 0.013 . . . . . . A 150 PHE HB2 . 30571 1 597 . 1 . 1 55 55 PHE HB3 H 1 3.078 0.019 . . . . . . A 150 PHE HB3 . 30571 1 598 . 1 . 1 55 55 PHE HD1 H 1 6.688 0.015 . . . . . . A 150 PHE HD1 . 30571 1 599 . 1 . 1 55 55 PHE HD2 H 1 6.688 0.015 . . . . . . A 150 PHE HD2 . 30571 1 600 . 1 . 1 55 55 PHE HE1 H 1 7.101 0.012 . . . . . . A 150 PHE HE1 . 30571 1 601 . 1 . 1 55 55 PHE HE2 H 1 7.101 0.012 . . . . . . A 150 PHE HE2 . 30571 1 602 . 1 . 1 55 55 PHE C C 13 178.748 0.003 . . . . . . A 150 PHE C . 30571 1 603 . 1 . 1 55 55 PHE CA C 13 62.074 0.035 . . . . . . A 150 PHE CA . 30571 1 604 . 1 . 1 55 55 PHE CB C 13 38.723 0.045 . . . . . . A 150 PHE CB . 30571 1 605 . 1 . 1 55 55 PHE CD1 C 13 131.018 0.000 . . . . . . A 150 PHE CD1 . 30571 1 606 . 1 . 1 55 55 PHE CD2 C 13 131.018 0.000 . . . . . . A 150 PHE CD2 . 30571 1 607 . 1 . 1 55 55 PHE CE1 C 13 133.288 0.000 . . . . . . A 150 PHE CE1 . 30571 1 608 . 1 . 1 55 55 PHE CE2 C 13 133.241 0.000 . . . . . . A 150 PHE CE2 . 30571 1 609 . 1 . 1 55 55 PHE N N 15 125.345 0.074 . . . . . . A 150 PHE N . 30571 1 610 . 1 . 1 56 56 SER H H 1 8.480 0.018 . . . . . . A 151 SER H . 30571 1 611 . 1 . 1 56 56 SER HA H 1 4.303 0.012 . . . . . . A 151 SER HA . 30571 1 612 . 1 . 1 56 56 SER HB2 H 1 4.047 0.009 . . . . . . A 151 SER HB2 . 30571 1 613 . 1 . 1 56 56 SER HB3 H 1 4.016 0.022 . . . . . . A 151 SER HB3 . 30571 1 614 . 1 . 1 56 56 SER C C 13 175.598 0.012 . . . . . . A 151 SER C . 30571 1 615 . 1 . 1 56 56 SER CA C 13 61.881 0.034 . . . . . . A 151 SER CA . 30571 1 616 . 1 . 1 56 56 SER CB C 13 63.588 0.023 . . . . . . A 151 SER CB . 30571 1 617 . 1 . 1 56 56 SER N N 15 114.457 0.076 . . . . . . A 151 SER N . 30571 1 618 . 1 . 1 57 57 MET H H 1 7.879 0.012 . . . . . . A 152 MET H . 30571 1 619 . 1 . 1 57 57 MET HA H 1 4.485 0.010 . . . . . . A 152 MET HA . 30571 1 620 . 1 . 1 57 57 MET HB2 H 1 2.187 0.012 . . . . . . A 152 MET HB2 . 30571 1 621 . 1 . 1 57 57 MET HB3 H 1 2.121 0.012 . . . . . . A 152 MET HB3 . 30571 1 622 . 1 . 1 57 57 MET HG2 H 1 2.749 0.007 . . . . . . A 152 MET HG2 . 30571 1 623 . 1 . 1 57 57 MET HG3 H 1 2.588 0.008 . . . . . . A 152 MET HG3 . 30571 1 624 . 1 . 1 57 57 MET HE1 H 1 2.061 0.002 . . . . . . A 152 MET HE1 . 30571 1 625 . 1 . 1 57 57 MET HE2 H 1 2.061 0.002 . . . . . . A 152 MET HE2 . 30571 1 626 . 1 . 1 57 57 MET HE3 H 1 2.061 0.002 . . . . . . A 152 MET HE3 . 30571 1 627 . 1 . 1 57 57 MET C C 13 177.930 0.002 . . . . . . A 152 MET C . 30571 1 628 . 1 . 1 57 57 MET CA C 13 57.287 0.025 . . . . . . A 152 MET CA . 30571 1 629 . 1 . 1 57 57 MET CB C 13 34.109 0.100 . . . . . . A 152 MET CB . 30571 1 630 . 1 . 1 57 57 MET CG C 13 32.458 0.021 . . . . . . A 152 MET CG . 30571 1 631 . 1 . 1 57 57 MET CE C 13 16.942 0.018 . . . . . . A 152 MET CE . 30571 1 632 . 1 . 1 57 57 MET N N 15 116.223 0.028 . . . . . . A 152 MET N . 30571 1 633 . 1 . 1 58 58 THR H H 1 7.929 0.009 . . . . . . A 153 THR H . 30571 1 634 . 1 . 1 58 58 THR HA H 1 4.644 0.010 . . . . . . A 153 THR HA . 30571 1 635 . 1 . 1 58 58 THR HB H 1 4.296 0.010 . . . . . . A 153 THR HB . 30571 1 636 . 1 . 1 58 58 THR HG21 H 1 1.200 0.009 . . . . . . A 153 THR HG21 . 30571 1 637 . 1 . 1 58 58 THR HG22 H 1 1.200 0.009 . . . . . . A 153 THR HG22 . 30571 1 638 . 1 . 1 58 58 THR HG23 H 1 1.200 0.009 . . . . . . A 153 THR HG23 . 30571 1 639 . 1 . 1 58 58 THR C C 13 175.591 0.007 . . . . . . A 153 THR C . 30571 1 640 . 1 . 1 58 58 THR CA C 13 61.846 0.013 . . . . . . A 153 THR CA . 30571 1 641 . 1 . 1 58 58 THR CB C 13 72.563 0.039 . . . . . . A 153 THR CB . 30571 1 642 . 1 . 1 58 58 THR CG2 C 13 21.351 0.027 . . . . . . A 153 THR CG2 . 30571 1 643 . 1 . 1 58 58 THR N N 15 106.178 0.031 . . . . . . A 153 THR N . 30571 1 644 . 1 . 1 59 59 GLY H H 1 8.248 0.008 . . . . . . A 154 GLY H . 30571 1 645 . 1 . 1 59 59 GLY HA2 H 1 3.766 0.005 . . . . . . A 154 GLY HA2 . 30571 1 646 . 1 . 1 59 59 GLY HA3 H 1 2.697 0.010 . . . . . . A 154 GLY HA3 . 30571 1 647 . 1 . 1 59 59 GLY C C 13 171.905 0.007 . . . . . . A 154 GLY C . 30571 1 648 . 1 . 1 59 59 GLY CA C 13 45.141 0.025 . . . . . . A 154 GLY CA . 30571 1 649 . 1 . 1 59 59 GLY N N 15 111.883 0.031 . . . . . . A 154 GLY N . 30571 1 650 . 1 . 1 60 60 ASN H H 1 7.711 0.011 . . . . . . A 155 ASN H . 30571 1 651 . 1 . 1 60 60 ASN HA H 1 4.702 0.001 . . . . . . A 155 ASN HA . 30571 1 652 . 1 . 1 60 60 ASN HB2 H 1 2.444 0.015 . . . . . . A 155 ASN HB2 . 30571 1 653 . 1 . 1 60 60 ASN HB3 H 1 2.494 0.010 . . . . . . A 155 ASN HB3 . 30571 1 654 . 1 . 1 60 60 ASN C C 13 171.914 0.005 . . . . . . A 155 ASN C . 30571 1 655 . 1 . 1 60 60 ASN CA C 13 52.226 0.016 . . . . . . A 155 ASN CA . 30571 1 656 . 1 . 1 60 60 ASN CB C 13 41.895 0.019 . . . . . . A 155 ASN CB . 30571 1 657 . 1 . 1 60 60 ASN N N 15 116.767 0.020 . . . . . . A 155 ASN N . 30571 1 658 . 1 . 1 61 61 CYS H H 1 8.285 0.007 . . . . . . A 156 CYS H . 30571 1 659 . 1 . 1 61 61 CYS HA H 1 4.469 0.000 . . . . . . A 156 CYS HA . 30571 1 660 . 1 . 1 61 61 CYS HB2 H 1 2.915 0.000 . . . . . . A 156 CYS HB2 . 30571 1 661 . 1 . 1 61 61 CYS HB3 H 1 2.691 0.000 . . . . . . A 156 CYS HB3 . 30571 1 662 . 1 . 1 61 61 CYS C C 13 176.945 0.000 . . . . . . A 156 CYS C . 30571 1 663 . 1 . 1 61 61 CYS CA C 13 59.184 0.000 . . . . . . A 156 CYS CA . 30571 1 664 . 1 . 1 61 61 CYS CB C 13 32.691 0.011 . . . . . . A 156 CYS CB . 30571 1 665 . 1 . 1 61 61 CYS N N 15 121.474 0.018 . . . . . . A 156 CYS N . 30571 1 666 . 1 . 1 62 62 LYS HA H 1 4.114 0.007 . . . . . . A 157 LYS HA . 30571 1 667 . 1 . 1 62 62 LYS HB2 H 1 1.693 0.008 . . . . . . A 157 LYS HB2 . 30571 1 668 . 1 . 1 62 62 LYS HB3 H 1 1.576 0.006 . . . . . . A 157 LYS HB3 . 30571 1 669 . 1 . 1 62 62 LYS HG2 H 1 0.600 0.008 . . . . . . A 157 LYS HG2 . 30571 1 670 . 1 . 1 62 62 LYS HG3 H 1 1.097 0.010 . . . . . . A 157 LYS HG3 . 30571 1 671 . 1 . 1 62 62 LYS HD2 H 1 1.471 0.000 . . . . . . A 157 LYS HD2 . 30571 1 672 . 1 . 1 62 62 LYS HD3 H 1 1.452 0.000 . . . . . . A 157 LYS HD3 . 30571 1 673 . 1 . 1 62 62 LYS HE2 H 1 2.767 0.000 . . . . . . A 157 LYS HE2 . 30571 1 674 . 1 . 1 62 62 LYS HE3 H 1 2.767 0.000 . . . . . . A 157 LYS HE3 . 30571 1 675 . 1 . 1 62 62 LYS C C 13 176.728 0.001 . . . . . . A 157 LYS C . 30571 1 676 . 1 . 1 62 62 LYS CA C 13 58.518 0.018 . . . . . . A 157 LYS CA . 30571 1 677 . 1 . 1 62 62 LYS CB C 13 31.909 0.031 . . . . . . A 157 LYS CB . 30571 1 678 . 1 . 1 62 62 LYS CG C 13 23.527 0.026 . . . . . . A 157 LYS CG . 30571 1 679 . 1 . 1 62 62 LYS CD C 13 29.273 0.016 . . . . . . A 157 LYS CD . 30571 1 680 . 1 . 1 62 62 LYS CE C 13 42.100 0.000 . . . . . . A 157 LYS CE . 30571 1 681 . 1 . 1 63 63 TYR H H 1 8.625 0.010 . . . . . . A 158 TYR H . 30571 1 682 . 1 . 1 63 63 TYR HA H 1 4.487 0.009 . . . . . . A 158 TYR HA . 30571 1 683 . 1 . 1 63 63 TYR HB2 H 1 2.923 0.022 . . . . . . A 158 TYR HB2 . 30571 1 684 . 1 . 1 63 63 TYR HB3 H 1 2.970 0.020 . . . . . . A 158 TYR HB3 . 30571 1 685 . 1 . 1 63 63 TYR HD1 H 1 7.355 0.011 . . . . . . A 158 TYR HD1 . 30571 1 686 . 1 . 1 63 63 TYR HD2 H 1 7.355 0.011 . . . . . . A 158 TYR HD2 . 30571 1 687 . 1 . 1 63 63 TYR HE1 H 1 6.945 0.003 . . . . . . A 158 TYR HE1 . 30571 1 688 . 1 . 1 63 63 TYR HE2 H 1 6.945 0.003 . . . . . . A 158 TYR HE2 . 30571 1 689 . 1 . 1 63 63 TYR C C 13 177.504 0.041 . . . . . . A 158 TYR C . 30571 1 690 . 1 . 1 63 63 TYR CA C 13 59.360 0.050 . . . . . . A 158 TYR CA . 30571 1 691 . 1 . 1 63 63 TYR CB C 13 38.055 0.036 . . . . . . A 158 TYR CB . 30571 1 692 . 1 . 1 63 63 TYR CD1 C 13 133.522 0.000 . . . . . . A 158 TYR CD1 . 30571 1 693 . 1 . 1 63 63 TYR CD2 C 13 133.522 0.000 . . . . . . A 158 TYR CD2 . 30571 1 694 . 1 . 1 63 63 TYR CE1 C 13 118.454 0.000 . . . . . . A 158 TYR CE1 . 30571 1 695 . 1 . 1 63 63 TYR CE2 C 13 118.454 0.000 . . . . . . A 158 TYR CE2 . 30571 1 696 . 1 . 1 63 63 TYR N N 15 120.439 0.044 . . . . . . A 158 TYR N . 30571 1 697 . 1 . 1 64 64 GLY H H 1 7.907 0.007 . . . . . . A 159 GLY H . 30571 1 698 . 1 . 1 64 64 GLY HA2 H 1 4.142 0.007 . . . . . . A 159 GLY HA2 . 30571 1 699 . 1 . 1 64 64 GLY HA3 H 1 4.059 0.013 . . . . . . A 159 GLY HA3 . 30571 1 700 . 1 . 1 64 64 GLY C C 13 175.855 0.000 . . . . . . A 159 GLY C . 30571 1 701 . 1 . 1 64 64 GLY CA C 13 47.206 0.102 . . . . . . A 159 GLY CA . 30571 1 702 . 1 . 1 64 64 GLY N N 15 108.757 0.060 . . . . . . A 159 GLY N . 30571 1 703 . 1 . 1 65 65 THR H H 1 8.723 0.015 . . . . . . A 160 THR H . 30571 1 704 . 1 . 1 65 65 THR HA H 1 4.133 0.008 . . . . . . A 160 THR HA . 30571 1 705 . 1 . 1 65 65 THR HB H 1 4.418 0.002 . . . . . . A 160 THR HB . 30571 1 706 . 1 . 1 65 65 THR HG21 H 1 1.331 0.007 . . . . . . A 160 THR HG21 . 30571 1 707 . 1 . 1 65 65 THR HG22 H 1 1.331 0.007 . . . . . . A 160 THR HG22 . 30571 1 708 . 1 . 1 65 65 THR HG23 H 1 1.331 0.007 . . . . . . A 160 THR HG23 . 30571 1 709 . 1 . 1 65 65 THR C C 13 175.653 0.000 . . . . . . A 160 THR C . 30571 1 710 . 1 . 1 65 65 THR CA C 13 63.689 0.011 . . . . . . A 160 THR CA . 30571 1 711 . 1 . 1 65 65 THR CB C 13 68.759 0.058 . . . . . . A 160 THR CB . 30571 1 712 . 1 . 1 65 65 THR CG2 C 13 22.068 0.026 . . . . . . A 160 THR CG2 . 30571 1 713 . 1 . 1 65 65 THR N N 15 116.582 0.000 . . . . . . A 160 THR N . 30571 1 714 . 1 . 1 66 66 ARG H H 1 8.000 0.014 . . . . . . A 161 ARG H . 30571 1 715 . 1 . 1 66 66 ARG HA H 1 4.364 0.010 . . . . . . A 161 ARG HA . 30571 1 716 . 1 . 1 66 66 ARG HB2 H 1 2.066 0.009 . . . . . . A 161 ARG HB2 . 30571 1 717 . 1 . 1 66 66 ARG HB3 H 1 1.907 0.007 . . . . . . A 161 ARG HB3 . 30571 1 718 . 1 . 1 66 66 ARG HG2 H 1 1.716 0.008 . . . . . . A 161 ARG HG2 . 30571 1 719 . 1 . 1 66 66 ARG HG3 H 1 1.648 0.012 . . . . . . A 161 ARG HG3 . 30571 1 720 . 1 . 1 66 66 ARG HD2 H 1 3.218 0.000 . . . . . . A 161 ARG HD2 . 30571 1 721 . 1 . 1 66 66 ARG HD3 H 1 3.218 0.000 . . . . . . A 161 ARG HD3 . 30571 1 722 . 1 . 1 66 66 ARG C C 13 175.600 0.009 . . . . . . A 161 ARG C . 30571 1 723 . 1 . 1 66 66 ARG CA C 13 55.542 0.011 . . . . . . A 161 ARG CA . 30571 1 724 . 1 . 1 66 66 ARG CB C 13 29.858 0.015 . . . . . . A 161 ARG CB . 30571 1 725 . 1 . 1 66 66 ARG CG C 13 27.716 0.053 . . . . . . A 161 ARG CG . 30571 1 726 . 1 . 1 66 66 ARG CD C 13 43.304 0.000 . . . . . . A 161 ARG CD . 30571 1 727 . 1 . 1 66 66 ARG N N 15 119.141 0.031 . . . . . . A 161 ARG N . 30571 1 728 . 1 . 1 67 67 CYS H H 1 7.293 0.001 . . . . . . A 162 CYS H . 30571 1 729 . 1 . 1 67 67 CYS HA H 1 3.677 0.000 . . . . . . A 162 CYS HA . 30571 1 730 . 1 . 1 67 67 CYS HB2 H 1 2.940 0.000 . . . . . . A 162 CYS HB2 . 30571 1 731 . 1 . 1 67 67 CYS HB3 H 1 2.473 0.000 . . . . . . A 162 CYS HB3 . 30571 1 732 . 1 . 1 67 67 CYS CA C 13 61.788 0.000 . . . . . . A 162 CYS CA . 30571 1 733 . 1 . 1 67 67 CYS CB C 13 30.619 0.001 . . . . . . A 162 CYS CB . 30571 1 734 . 1 . 1 67 67 CYS N N 15 123.866 0.036 . . . . . . A 162 CYS N . 30571 1 735 . 1 . 1 68 68 GLN H H 1 8.311 0.015 . . . . . . A 163 GLN H . 30571 1 736 . 1 . 1 68 68 GLN HA H 1 4.017 0.012 . . . . . . A 163 GLN HA . 30571 1 737 . 1 . 1 68 68 GLN HB2 H 1 1.633 0.012 . . . . . . A 163 GLN HB2 . 30571 1 738 . 1 . 1 68 68 GLN HB3 H 1 1.474 0.009 . . . . . . A 163 GLN HB3 . 30571 1 739 . 1 . 1 68 68 GLN HG2 H 1 1.835 0.010 . . . . . . A 163 GLN HG2 . 30571 1 740 . 1 . 1 68 68 GLN HG3 H 1 1.611 0.003 . . . . . . A 163 GLN HG3 . 30571 1 741 . 1 . 1 68 68 GLN HE21 H 1 7.154 0.014 . . . . . . A 163 GLN HE21 . 30571 1 742 . 1 . 1 68 68 GLN HE22 H 1 6.728 0.000 . . . . . . A 163 GLN HE22 . 30571 1 743 . 1 . 1 68 68 GLN C C 13 174.882 0.000 . . . . . . A 163 GLN C . 30571 1 744 . 1 . 1 68 68 GLN CA C 13 56.738 0.009 . . . . . . A 163 GLN CA . 30571 1 745 . 1 . 1 68 68 GLN CB C 13 28.837 0.022 . . . . . . A 163 GLN CB . 30571 1 746 . 1 . 1 68 68 GLN CG C 13 33.294 0.016 . . . . . . A 163 GLN CG . 30571 1 747 . 1 . 1 68 68 GLN N N 15 125.284 0.049 . . . . . . A 163 GLN N . 30571 1 748 . 1 . 1 68 68 GLN NE2 N 15 112.409 0.015 . . . . . . A 163 GLN NE2 . 30571 1 749 . 1 . 1 69 69 PHE H H 1 8.962 0.015 . . . . . . A 164 PHE H . 30571 1 750 . 1 . 1 69 69 PHE HA H 1 4.933 0.012 . . . . . . A 164 PHE HA . 30571 1 751 . 1 . 1 69 69 PHE HB2 H 1 3.287 0.010 . . . . . . A 164 PHE HB2 . 30571 1 752 . 1 . 1 69 69 PHE HB3 H 1 3.122 0.010 . . . . . . A 164 PHE HB3 . 30571 1 753 . 1 . 1 69 69 PHE HD1 H 1 7.390 0.017 . . . . . . A 164 PHE HD1 . 30571 1 754 . 1 . 1 69 69 PHE HD2 H 1 7.390 0.017 . . . . . . A 164 PHE HD2 . 30571 1 755 . 1 . 1 69 69 PHE C C 13 174.036 0.015 . . . . . . A 164 PHE C . 30571 1 756 . 1 . 1 69 69 PHE CA C 13 56.260 0.021 . . . . . . A 164 PHE CA . 30571 1 757 . 1 . 1 69 69 PHE CB C 13 40.012 0.030 . . . . . . A 164 PHE CB . 30571 1 758 . 1 . 1 69 69 PHE CD1 C 13 132.281 0.000 . . . . . . A 164 PHE CD1 . 30571 1 759 . 1 . 1 69 69 PHE CD2 C 13 132.281 0.000 . . . . . . A 164 PHE CD2 . 30571 1 760 . 1 . 1 69 69 PHE N N 15 122.858 0.054 . . . . . . A 164 PHE N . 30571 1 761 . 1 . 1 70 70 ILE H H 1 8.678 0.023 . . . . . . A 165 ILE H . 30571 1 762 . 1 . 1 70 70 ILE HA H 1 3.681 0.008 . . . . . . A 165 ILE HA . 30571 1 763 . 1 . 1 70 70 ILE HB H 1 1.612 0.007 . . . . . . A 165 ILE HB . 30571 1 764 . 1 . 1 70 70 ILE HG12 H 1 0.952 0.012 . . . . . . A 165 ILE HG12 . 30571 1 765 . 1 . 1 70 70 ILE HG13 H 1 1.356 0.007 . . . . . . A 165 ILE HG13 . 30571 1 766 . 1 . 1 70 70 ILE HG21 H 1 0.748 0.008 . . . . . . A 165 ILE HG21 . 30571 1 767 . 1 . 1 70 70 ILE HG22 H 1 0.748 0.008 . . . . . . A 165 ILE HG22 . 30571 1 768 . 1 . 1 70 70 ILE HG23 H 1 0.748 0.008 . . . . . . A 165 ILE HG23 . 30571 1 769 . 1 . 1 70 70 ILE HD11 H 1 0.643 0.008 . . . . . . A 165 ILE HD11 . 30571 1 770 . 1 . 1 70 70 ILE HD12 H 1 0.643 0.008 . . . . . . A 165 ILE HD12 . 30571 1 771 . 1 . 1 70 70 ILE HD13 H 1 0.643 0.008 . . . . . . A 165 ILE HD13 . 30571 1 772 . 1 . 1 70 70 ILE C C 13 176.919 0.014 . . . . . . A 165 ILE C . 30571 1 773 . 1 . 1 70 70 ILE CA C 13 62.111 0.024 . . . . . . A 165 ILE CA . 30571 1 774 . 1 . 1 70 70 ILE CB C 13 39.506 0.012 . . . . . . A 165 ILE CB . 30571 1 775 . 1 . 1 70 70 ILE CG1 C 13 28.247 0.015 . . . . . . A 165 ILE CG1 . 30571 1 776 . 1 . 1 70 70 ILE CG2 C 13 17.324 0.007 . . . . . . A 165 ILE CG2 . 30571 1 777 . 1 . 1 70 70 ILE CD1 C 13 13.124 0.007 . . . . . . A 165 ILE CD1 . 30571 1 778 . 1 . 1 70 70 ILE N N 15 118.514 0.049 . . . . . . A 165 ILE N . 30571 1 779 . 1 . 1 71 71 HIS H H 1 8.798 0.021 . . . . . . A 166 HIS H . 30571 1 780 . 1 . 1 71 71 HIS HA H 1 4.482 0.008 . . . . . . A 166 HIS HA . 30571 1 781 . 1 . 1 71 71 HIS HB2 H 1 2.580 0.000 . . . . . . A 166 HIS HB2 . 30571 1 782 . 1 . 1 71 71 HIS HB3 H 1 2.581 0.001 . . . . . . A 166 HIS HB3 . 30571 1 783 . 1 . 1 71 71 HIS HD2 H 1 6.484 0.014 . . . . . . A 166 HIS HD2 . 30571 1 784 . 1 . 1 71 71 HIS HE1 H 1 7.938 0.000 . . . . . . A 166 HIS HE1 . 30571 1 785 . 1 . 1 71 71 HIS C C 13 172.940 0.005 . . . . . . A 166 HIS C . 30571 1 786 . 1 . 1 71 71 HIS CA C 13 53.444 0.028 . . . . . . A 166 HIS CA . 30571 1 787 . 1 . 1 71 71 HIS CB C 13 27.513 0.011 . . . . . . A 166 HIS CB . 30571 1 788 . 1 . 1 71 71 HIS CD2 C 13 123.858 0.051 . . . . . . A 166 HIS CD2 . 30571 1 789 . 1 . 1 71 71 HIS CE1 C 13 139.916 0.072 . . . . . . A 166 HIS CE1 . 30571 1 790 . 1 . 1 71 71 HIS N N 15 128.859 0.095 . . . . . . A 166 HIS N . 30571 1 791 . 1 . 1 72 72 LYS H H 1 8.217 0.030 . . . . . . A 167 LYS H . 30571 1 792 . 1 . 1 72 72 LYS HA H 1 4.415 0.005 . . . . . . A 167 LYS HA . 30571 1 793 . 1 . 1 72 72 LYS HB2 H 1 1.755 0.010 . . . . . . A 167 LYS HB2 . 30571 1 794 . 1 . 1 72 72 LYS HB3 H 1 1.574 0.007 . . . . . . A 167 LYS HB3 . 30571 1 795 . 1 . 1 72 72 LYS HG2 H 1 1.326 0.007 . . . . . . A 167 LYS HG2 . 30571 1 796 . 1 . 1 72 72 LYS HG3 H 1 1.274 0.006 . . . . . . A 167 LYS HG3 . 30571 1 797 . 1 . 1 72 72 LYS HD2 H 1 1.636 0.000 . . . . . . A 167 LYS HD2 . 30571 1 798 . 1 . 1 72 72 LYS HD3 H 1 1.635 0.000 . . . . . . A 167 LYS HD3 . 30571 1 799 . 1 . 1 72 72 LYS HE2 H 1 2.933 0.000 . . . . . . A 167 LYS HE2 . 30571 1 800 . 1 . 1 72 72 LYS HE3 H 1 2.931 0.000 . . . . . . A 167 LYS HE3 . 30571 1 801 . 1 . 1 72 72 LYS C C 13 174.649 0.007 . . . . . . A 167 LYS C . 30571 1 802 . 1 . 1 72 72 LYS CA C 13 55.811 0.021 . . . . . . A 167 LYS CA . 30571 1 803 . 1 . 1 72 72 LYS CB C 13 34.713 0.022 . . . . . . A 167 LYS CB . 30571 1 804 . 1 . 1 72 72 LYS CG C 13 24.858 0.062 . . . . . . A 167 LYS CG . 30571 1 805 . 1 . 1 72 72 LYS CD C 13 29.362 0.006 . . . . . . A 167 LYS CD . 30571 1 806 . 1 . 1 72 72 LYS CE C 13 42.096 0.000 . . . . . . A 167 LYS CE . 30571 1 807 . 1 . 1 72 72 LYS N N 15 125.523 0.131 . . . . . . A 167 LYS N . 30571 1 808 . 1 . 1 73 73 ILE H H 1 8.482 0.020 . . . . . . A 168 ILE H . 30571 1 809 . 1 . 1 73 73 ILE HA H 1 4.266 0.008 . . . . . . A 168 ILE HA . 30571 1 810 . 1 . 1 73 73 ILE HB H 1 1.842 0.007 . . . . . . A 168 ILE HB . 30571 1 811 . 1 . 1 73 73 ILE HG12 H 1 1.537 0.012 . . . . . . A 168 ILE HG12 . 30571 1 812 . 1 . 1 73 73 ILE HG13 H 1 1.224 0.012 . . . . . . A 168 ILE HG13 . 30571 1 813 . 1 . 1 73 73 ILE HG21 H 1 0.890 0.008 . . . . . . A 168 ILE HG21 . 30571 1 814 . 1 . 1 73 73 ILE HG22 H 1 0.890 0.008 . . . . . . A 168 ILE HG22 . 30571 1 815 . 1 . 1 73 73 ILE HG23 H 1 0.890 0.008 . . . . . . A 168 ILE HG23 . 30571 1 816 . 1 . 1 73 73 ILE HD11 H 1 0.827 0.007 . . . . . . A 168 ILE HD11 . 30571 1 817 . 1 . 1 73 73 ILE HD12 H 1 0.827 0.007 . . . . . . A 168 ILE HD12 . 30571 1 818 . 1 . 1 73 73 ILE HD13 H 1 0.827 0.007 . . . . . . A 168 ILE HD13 . 30571 1 819 . 1 . 1 73 73 ILE C C 13 176.323 0.019 . . . . . . A 168 ILE C . 30571 1 820 . 1 . 1 73 73 ILE CA C 13 61.109 0.004 . . . . . . A 168 ILE CA . 30571 1 821 . 1 . 1 73 73 ILE CB C 13 38.613 0.006 . . . . . . A 168 ILE CB . 30571 1 822 . 1 . 1 73 73 ILE CG1 C 13 27.620 0.017 . . . . . . A 168 ILE CG1 . 30571 1 823 . 1 . 1 73 73 ILE CG2 C 13 17.577 0.007 . . . . . . A 168 ILE CG2 . 30571 1 824 . 1 . 1 73 73 ILE CD1 C 13 12.845 0.011 . . . . . . A 168 ILE CD1 . 30571 1 825 . 1 . 1 73 73 ILE N N 15 125.189 0.122 . . . . . . A 168 ILE N . 30571 1 826 . 1 . 1 74 74 VAL H H 1 8.397 0.019 . . . . . . A 169 VAL H . 30571 1 827 . 1 . 1 74 74 VAL HA H 1 4.140 0.010 . . . . . . A 169 VAL HA . 30571 1 828 . 1 . 1 74 74 VAL HB H 1 2.062 0.010 . . . . . . A 169 VAL HB . 30571 1 829 . 1 . 1 74 74 VAL HG11 H 1 0.912 0.008 . . . . . . A 169 VAL HG11 . 30571 1 830 . 1 . 1 74 74 VAL HG12 H 1 0.912 0.008 . . . . . . A 169 VAL HG12 . 30571 1 831 . 1 . 1 74 74 VAL HG13 H 1 0.912 0.008 . . . . . . A 169 VAL HG13 . 30571 1 832 . 1 . 1 74 74 VAL HG21 H 1 0.903 0.010 . . . . . . A 169 VAL HG21 . 30571 1 833 . 1 . 1 74 74 VAL HG22 H 1 0.903 0.010 . . . . . . A 169 VAL HG22 . 30571 1 834 . 1 . 1 74 74 VAL HG23 H 1 0.903 0.010 . . . . . . A 169 VAL HG23 . 30571 1 835 . 1 . 1 74 74 VAL C C 13 175.541 0.007 . . . . . . A 169 VAL C . 30571 1 836 . 1 . 1 74 74 VAL CA C 13 62.232 0.005 . . . . . . A 169 VAL CA . 30571 1 837 . 1 . 1 74 74 VAL CB C 13 32.939 0.004 . . . . . . A 169 VAL CB . 30571 1 838 . 1 . 1 74 74 VAL CG1 C 13 20.734 0.017 . . . . . . A 169 VAL CG1 . 30571 1 839 . 1 . 1 74 74 VAL CG2 C 13 21.236 0.008 . . . . . . A 169 VAL CG2 . 30571 1 840 . 1 . 1 74 74 VAL N N 15 125.753 0.103 . . . . . . A 169 VAL N . 30571 1 841 . 1 . 1 75 75 ASP H H 1 8.404 0.014 . . . . . . A 170 ASP H . 30571 1 842 . 1 . 1 75 75 ASP HA H 1 4.611 0.011 . . . . . . A 170 ASP HA . 30571 1 843 . 1 . 1 75 75 ASP HB2 H 1 2.651 0.023 . . . . . . A 170 ASP HB2 . 30571 1 844 . 1 . 1 75 75 ASP HB3 H 1 2.676 0.010 . . . . . . A 170 ASP HB3 . 30571 1 845 . 1 . 1 75 75 ASP C C 13 176.600 0.002 . . . . . . A 170 ASP C . 30571 1 846 . 1 . 1 75 75 ASP CA C 13 54.364 0.051 . . . . . . A 170 ASP CA . 30571 1 847 . 1 . 1 75 75 ASP CB C 13 41.495 0.003 . . . . . . A 170 ASP CB . 30571 1 848 . 1 . 1 75 75 ASP N N 15 124.703 0.082 . . . . . . A 170 ASP N . 30571 1 849 . 1 . 1 76 76 GLY H H 1 8.387 0.013 . . . . . . A 171 GLY H . 30571 1 850 . 1 . 1 76 76 GLY HA2 H 1 3.968 0.000 . . . . . . A 171 GLY HA2 . 30571 1 851 . 1 . 1 76 76 GLY HA3 H 1 3.934 0.022 . . . . . . A 171 GLY HA3 . 30571 1 852 . 1 . 1 76 76 GLY C C 13 174.001 0.008 . . . . . . A 171 GLY C . 30571 1 853 . 1 . 1 76 76 GLY CA C 13 45.516 0.000 . . . . . . A 171 GLY CA . 30571 1 854 . 1 . 1 76 76 GLY N N 15 109.709 0.068 . . . . . . A 171 GLY N . 30571 1 855 . 1 . 1 77 77 ASN H H 1 8.363 0.006 . . . . . . A 172 ASN H . 30571 1 856 . 1 . 1 77 77 ASN HA H 1 4.749 0.000 . . . . . . A 172 ASN HA . 30571 1 857 . 1 . 1 77 77 ASN HB2 H 1 2.818 0.010 . . . . . . A 172 ASN HB2 . 30571 1 858 . 1 . 1 77 77 ASN HB3 H 1 2.715 0.011 . . . . . . A 172 ASN HB3 . 30571 1 859 . 1 . 1 77 77 ASN C C 13 174.036 0.008 . . . . . . A 172 ASN C . 30571 1 860 . 1 . 1 77 77 ASN CA C 13 53.157 0.000 . . . . . . A 172 ASN CA . 30571 1 861 . 1 . 1 77 77 ASN CB C 13 39.286 0.037 . . . . . . A 172 ASN CB . 30571 1 862 . 1 . 1 77 77 ASN N N 15 118.977 0.021 . . . . . . A 172 ASN N . 30571 1 863 . 1 . 1 78 78 ALA H H 1 7.851 0.014 . . . . . . A 173 ALA H . 30571 1 864 . 1 . 1 78 78 ALA HA H 1 4.096 0.010 . . . . . . A 173 ALA HA . 30571 1 865 . 1 . 1 78 78 ALA HB1 H 1 1.322 0.008 . . . . . . A 173 ALA HB1 . 30571 1 866 . 1 . 1 78 78 ALA HB2 H 1 1.322 0.008 . . . . . . A 173 ALA HB2 . 30571 1 867 . 1 . 1 78 78 ALA HB3 H 1 1.322 0.008 . . . . . . A 173 ALA HB3 . 30571 1 868 . 1 . 1 78 78 ALA C C 13 167.457 0.000 . . . . . . A 173 ALA C . 30571 1 869 . 1 . 1 78 78 ALA CA C 13 54.041 0.026 . . . . . . A 173 ALA CA . 30571 1 870 . 1 . 1 78 78 ALA CB C 13 20.215 0.040 . . . . . . A 173 ALA CB . 30571 1 871 . 1 . 1 78 78 ALA N N 15 129.537 0.034 . . . . . . A 173 ALA N . 30571 1 stop_ save_