data_10244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10244 _Entry.Title ; Solution structures of the C2H2 type zinc finger domain of human Zinc finger protein 462 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-24 _Entry.Accession_date 2008-10-28 _Entry.Last_release_date 2009-11-03 _Entry.Original_release_date 2009-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10244 2 K. Saito . . . 10244 3 S. Koshiba . . . 10244 4 M. Inoue . . . 10244 5 T. Kigawa . . . 10244 6 S. Yokoyama . . . 10244 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 10244 '15N chemical shifts' 77 10244 '1H chemical shifts' 500 10244 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 . . 2009-11-03 2008-10-24 original author . 10244 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X6F 'BMRB Entry Tracking System' 10244 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10244 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structures of the C2H2 type zinc finger domain of human Zinc finger protein 462 ; _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 . _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.Entry_ID _Citation_author.Citation_ID 1 M. Sato . . . 10244 1 2 K. Saito . . . 10244 1 3 S. Koshiba . . . 10244 1 4 M. Inoue . . . 10244 1 5 T. Kigawa . . . 10244 1 6 S. Yokoyama . . . 10244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10244 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein 462' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _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 'C2H2 type zinc finger domain' 1 $entity_1 . . yes native no no . . . 10244 1 2 'ZINC ION' 2 $ZN . . no native no no . . . 10244 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 28 28 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 10244 1 2 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 31 31 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 10244 1 3 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 44 44 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 44 HIS NE2 . . . . ZN 10244 1 4 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 48 48 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 48 HIS NE2 . . . . ZN 10244 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 44 44 HE2 . 44 HIS HE2 10244 1 . . 1 1 HIS 48 48 HE2 . 48 HIS HE2 10244 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 10244 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 10244 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1X6F . . . . . . 10244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2H2 type zinc finger domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGLKRDFIILGNGPR LQNSTYQCKHCDSKLQSTAE LTSHLNIHNEEFQKRAKRQE RRKQLLSKQKYADGAFADFK QESGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X6F . "Solution Structures Of The C2h2 Type Zinc Finger Domain Of Human Zinc Finger Protein 462" . . . . . 100.00 88 100.00 100.00 4.47e-56 . . . . 10244 1 2 no DBJ BAB47432 . "KIAA1803 protein [Homo sapiens]" . . . . . 88.64 1412 97.44 97.44 5.83e-42 . . . . 10244 1 3 no DBJ BAG11361 . "zinc finger protein 462 [synthetic construct]" . . . . . 88.64 1412 97.44 97.44 5.83e-42 . . . . 10244 1 4 no EMBL CAH18698 . "hypothetical protein [Homo sapiens]" . . . . . 88.64 2403 97.44 97.44 3.75e-42 . . . . 10244 1 5 no EMBL CAH56168 . "hypothetical protein [Homo sapiens]" . . . . . 88.64 2506 97.44 97.44 3.71e-42 . . . . 10244 1 6 no GB AAH36884 . "ZNF462 protein [Homo sapiens]" . . . . . 88.64 884 97.44 97.44 2.08e-42 . . . . 10244 1 7 no GB AAI72445 . "Zinc finger protein 462 [synthetic construct]" . . . . . 88.64 2506 97.44 97.44 3.82e-42 . . . . 10244 1 8 no GB AIC60541 . "ZNF462, partial [synthetic construct]" . . . . . 88.64 884 97.44 97.44 2.08e-42 . . . . 10244 1 9 no GB EAW59010 . "zinc finger protein 462, isoform CRA_a [Homo sapiens]" . . . . . 88.64 1999 97.44 97.44 4.88e-42 . . . . 10244 1 10 no GB EAW59011 . "zinc finger protein 462, isoform CRA_b [Homo sapiens]" . . . . . 88.64 1998 97.44 97.44 4.88e-42 . . . . 10244 1 11 no REF NP_067047 . "zinc finger protein 462 [Homo sapiens]" . . . . . 88.64 2506 97.44 97.44 3.82e-42 . . . . 10244 1 12 no REF XP_001109263 . "PREDICTED: zinc finger protein 462 isoform 2 [Macaca mulatta]" . . . . . 88.64 2508 97.44 97.44 3.57e-42 . . . . 10244 1 13 no REF XP_002820132 . "PREDICTED: LOW QUALITY PROTEIN: zinc finger protein 462 [Pongo abelii]" . . . . . 88.64 2461 97.44 97.44 3.34e-42 . . . . 10244 1 14 no REF XP_003260371 . "PREDICTED: zinc finger protein 462 [Nomascus leucogenys]" . . . . . 88.64 2508 97.44 97.44 3.34e-42 . . . . 10244 1 15 no REF XP_003810950 . "PREDICTED: zinc finger protein 462 isoform X3 [Pan paniscus]" . . . . . 88.64 2506 97.44 97.44 3.61e-42 . . . . 10244 1 16 no SP Q96JM2 . "RecName: Full=Zinc finger protein 462" . . . . . 88.64 2506 97.44 97.44 3.82e-42 . . . . 10244 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2H2 type zinc finger domain' . 10244 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 . GLY . 10244 1 2 . SER . 10244 1 3 . SER . 10244 1 4 . GLY . 10244 1 5 . SER . 10244 1 6 . SER . 10244 1 7 . GLY . 10244 1 8 . LEU . 10244 1 9 . LYS . 10244 1 10 . ARG . 10244 1 11 . ASP . 10244 1 12 . PHE . 10244 1 13 . ILE . 10244 1 14 . ILE . 10244 1 15 . LEU . 10244 1 16 . GLY . 10244 1 17 . ASN . 10244 1 18 . GLY . 10244 1 19 . PRO . 10244 1 20 . ARG . 10244 1 21 . LEU . 10244 1 22 . GLN . 10244 1 23 . ASN . 10244 1 24 . SER . 10244 1 25 . THR . 10244 1 26 . TYR . 10244 1 27 . GLN . 10244 1 28 . CYS . 10244 1 29 . LYS . 10244 1 30 . HIS . 10244 1 31 . CYS . 10244 1 32 . ASP . 10244 1 33 . SER . 10244 1 34 . LYS . 10244 1 35 . LEU . 10244 1 36 . GLN . 10244 1 37 . SER . 10244 1 38 . THR . 10244 1 39 . ALA . 10244 1 40 . GLU . 10244 1 41 . LEU . 10244 1 42 . THR . 10244 1 43 . SER . 10244 1 44 . HIS . 10244 1 45 . LEU . 10244 1 46 . ASN . 10244 1 47 . ILE . 10244 1 48 . HIS . 10244 1 49 . ASN . 10244 1 50 . GLU . 10244 1 51 . GLU . 10244 1 52 . PHE . 10244 1 53 . GLN . 10244 1 54 . LYS . 10244 1 55 . ARG . 10244 1 56 . ALA . 10244 1 57 . LYS . 10244 1 58 . ARG . 10244 1 59 . GLN . 10244 1 60 . GLU . 10244 1 61 . ARG . 10244 1 62 . ARG . 10244 1 63 . LYS . 10244 1 64 . GLN . 10244 1 65 . LEU . 10244 1 66 . LEU . 10244 1 67 . SER . 10244 1 68 . LYS . 10244 1 69 . GLN . 10244 1 70 . LYS . 10244 1 71 . TYR . 10244 1 72 . ALA . 10244 1 73 . ASP . 10244 1 74 . GLY . 10244 1 75 . ALA . 10244 1 76 . PHE . 10244 1 77 . ALA . 10244 1 78 . ASP . 10244 1 79 . PHE . 10244 1 80 . LYS . 10244 1 81 . GLN . 10244 1 82 . GLU . 10244 1 83 . SER . 10244 1 84 . GLY . 10244 1 85 . PRO . 10244 1 86 . SER . 10244 1 87 . SER . 10244 1 88 . GLY . 10244 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10244 1 . SER 2 2 10244 1 . SER 3 3 10244 1 . GLY 4 4 10244 1 . SER 5 5 10244 1 . SER 6 6 10244 1 . GLY 7 7 10244 1 . LEU 8 8 10244 1 . LYS 9 9 10244 1 . ARG 10 10 10244 1 . ASP 11 11 10244 1 . PHE 12 12 10244 1 . ILE 13 13 10244 1 . ILE 14 14 10244 1 . LEU 15 15 10244 1 . GLY 16 16 10244 1 . ASN 17 17 10244 1 . GLY 18 18 10244 1 . PRO 19 19 10244 1 . ARG 20 20 10244 1 . LEU 21 21 10244 1 . GLN 22 22 10244 1 . ASN 23 23 10244 1 . SER 24 24 10244 1 . THR 25 25 10244 1 . TYR 26 26 10244 1 . GLN 27 27 10244 1 . CYS 28 28 10244 1 . LYS 29 29 10244 1 . HIS 30 30 10244 1 . CYS 31 31 10244 1 . ASP 32 32 10244 1 . SER 33 33 10244 1 . LYS 34 34 10244 1 . LEU 35 35 10244 1 . GLN 36 36 10244 1 . SER 37 37 10244 1 . THR 38 38 10244 1 . ALA 39 39 10244 1 . GLU 40 40 10244 1 . LEU 41 41 10244 1 . THR 42 42 10244 1 . SER 43 43 10244 1 . HIS 44 44 10244 1 . LEU 45 45 10244 1 . ASN 46 46 10244 1 . ILE 47 47 10244 1 . HIS 48 48 10244 1 . ASN 49 49 10244 1 . GLU 50 50 10244 1 . GLU 51 51 10244 1 . PHE 52 52 10244 1 . GLN 53 53 10244 1 . LYS 54 54 10244 1 . ARG 55 55 10244 1 . ALA 56 56 10244 1 . LYS 57 57 10244 1 . ARG 58 58 10244 1 . GLN 59 59 10244 1 . GLU 60 60 10244 1 . ARG 61 61 10244 1 . ARG 62 62 10244 1 . LYS 63 63 10244 1 . GLN 64 64 10244 1 . LEU 65 65 10244 1 . LEU 66 66 10244 1 . SER 67 67 10244 1 . LYS 68 68 10244 1 . GLN 69 69 10244 1 . LYS 70 70 10244 1 . TYR 71 71 10244 1 . ALA 72 72 10244 1 . ASP 73 73 10244 1 . GLY 74 74 10244 1 . ALA 75 75 10244 1 . PHE 76 76 10244 1 . ALA 77 77 10244 1 . ASP 78 78 10244 1 . PHE 79 79 10244 1 . LYS 80 80 10244 1 . GLN 81 81 10244 1 . GLU 82 82 10244 1 . SER 83 83 10244 1 . GLY 84 84 10244 1 . PRO 85 85 10244 1 . SER 86 86 10244 1 . SER 87 87 10244 1 . GLY 88 88 10244 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10244 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _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 . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 10244 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 10244 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10244 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 10244 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P041012-05 . . . . . . 10244 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 10244 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 10244 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 10244 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 10244 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 10244 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 10244 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 10244 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10244 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C2H2 type zinc finger domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10244 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10244 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10244 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10244 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10244 1 6 ZnCl2 . . . . . . salt 50 . . uM . . . . 10244 1 7 NTA . . . . . . salt 0.1 . . mM . . . . 10244 1 8 H2O . . . . . . solvent 90 . . % . . . . 10244 1 9 D2O . . . . . . solvent 10 . . % . . . . 10244 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10244 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10244 1 pH 7.0 0.05 pH 10244 1 pressure 1 0.001 atm 10244 1 temperature 298 0.1 K 10244 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10244 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10244 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10244 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10244 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10244 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10244 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10244 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10244 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10244 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10244 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10244 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10244 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10244 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10244 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10244 5 'structure solution' 10244 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10244 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10244 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 10244 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10244 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10244 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10244 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10244 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10244 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10244 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10244 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.975 0.030 . 1 . . . . 7 GLY HA2 . 10244 1 2 . 1 1 7 7 GLY HA3 H 1 3.975 0.030 . 1 . . . . 7 GLY HA3 . 10244 1 3 . 1 1 7 7 GLY C C 13 174.115 0.300 . 1 . . . . 7 GLY C . 10244 1 4 . 1 1 7 7 GLY CA C 13 45.392 0.300 . 1 . . . . 7 GLY CA . 10244 1 5 . 1 1 8 8 LEU H H 1 8.037 0.030 . 1 . . . . 8 LEU H . 10244 1 6 . 1 1 8 8 LEU HA H 1 4.347 0.030 . 1 . . . . 8 LEU HA . 10244 1 7 . 1 1 8 8 LEU HB2 H 1 1.609 0.030 . 1 . . . . 8 LEU HB2 . 10244 1 8 . 1 1 8 8 LEU HB3 H 1 1.609 0.030 . 1 . . . . 8 LEU HB3 . 10244 1 9 . 1 1 8 8 LEU HD11 H 1 0.920 0.030 . 1 . . . . 8 LEU HD1 . 10244 1 10 . 1 1 8 8 LEU HD12 H 1 0.920 0.030 . 1 . . . . 8 LEU HD1 . 10244 1 11 . 1 1 8 8 LEU HD13 H 1 0.920 0.030 . 1 . . . . 8 LEU HD1 . 10244 1 12 . 1 1 8 8 LEU HD21 H 1 0.875 0.030 . 1 . . . . 8 LEU HD2 . 10244 1 13 . 1 1 8 8 LEU HD22 H 1 0.875 0.030 . 1 . . . . 8 LEU HD2 . 10244 1 14 . 1 1 8 8 LEU HD23 H 1 0.875 0.030 . 1 . . . . 8 LEU HD2 . 10244 1 15 . 1 1 8 8 LEU HG H 1 1.603 0.030 . 1 . . . . 8 LEU HG . 10244 1 16 . 1 1 8 8 LEU C C 13 177.426 0.300 . 1 . . . . 8 LEU C . 10244 1 17 . 1 1 8 8 LEU CA C 13 55.352 0.300 . 1 . . . . 8 LEU CA . 10244 1 18 . 1 1 8 8 LEU CB C 13 42.478 0.300 . 1 . . . . 8 LEU CB . 10244 1 19 . 1 1 8 8 LEU CD1 C 13 25.043 0.300 . 2 . . . . 8 LEU CD1 . 10244 1 20 . 1 1 8 8 LEU CD2 C 13 23.471 0.300 . 2 . . . . 8 LEU CD2 . 10244 1 21 . 1 1 8 8 LEU CG C 13 27.017 0.300 . 1 . . . . 8 LEU CG . 10244 1 22 . 1 1 8 8 LEU N N 15 121.686 0.300 . 1 . . . . 8 LEU N . 10244 1 23 . 1 1 9 9 LYS H H 1 8.309 0.030 . 1 . . . . 9 LYS H . 10244 1 24 . 1 1 9 9 LYS HA H 1 4.319 0.030 . 1 . . . . 9 LYS HA . 10244 1 25 . 1 1 9 9 LYS HB2 H 1 1.788 0.030 . 1 . . . . 9 LYS HB2 . 10244 1 26 . 1 1 9 9 LYS HB3 H 1 1.788 0.030 . 1 . . . . 9 LYS HB3 . 10244 1 27 . 1 1 9 9 LYS HE2 H 1 3.005 0.030 . 1 . . . . 9 LYS HE2 . 10244 1 28 . 1 1 9 9 LYS HE3 H 1 3.005 0.030 . 1 . . . . 9 LYS HE3 . 10244 1 29 . 1 1 9 9 LYS CA C 13 56.195 0.300 . 1 . . . . 9 LYS CA . 10244 1 30 . 1 1 9 9 LYS CB C 13 32.820 0.300 . 1 . . . . 9 LYS CB . 10244 1 31 . 1 1 9 9 LYS CD C 13 28.994 0.300 . 1 . . . . 9 LYS CD . 10244 1 32 . 1 1 9 9 LYS CE C 13 42.238 0.300 . 1 . . . . 9 LYS CE . 10244 1 33 . 1 1 9 9 LYS CG C 13 24.898 0.300 . 1 . . . . 9 LYS CG . 10244 1 34 . 1 1 9 9 LYS N N 15 122.335 0.300 . 1 . . . . 9 LYS N . 10244 1 35 . 1 1 10 10 ARG HA H 1 4.306 0.030 . 1 . . . . 10 ARG HA . 10244 1 36 . 1 1 10 10 ARG HB2 H 1 1.772 0.030 . 2 . . . . 10 ARG HB2 . 10244 1 37 . 1 1 10 10 ARG HB3 H 1 1.711 0.030 . 2 . . . . 10 ARG HB3 . 10244 1 38 . 1 1 10 10 ARG HD2 H 1 3.176 0.030 . 1 . . . . 10 ARG HD2 . 10244 1 39 . 1 1 10 10 ARG HD3 H 1 3.176 0.030 . 1 . . . . 10 ARG HD3 . 10244 1 40 . 1 1 10 10 ARG HG2 H 1 1.581 0.030 . 1 . . . . 10 ARG HG2 . 10244 1 41 . 1 1 10 10 ARG HG3 H 1 1.581 0.030 . 1 . . . . 10 ARG HG3 . 10244 1 42 . 1 1 10 10 ARG C C 13 175.845 0.300 . 1 . . . . 10 ARG C . 10244 1 43 . 1 1 10 10 ARG CA C 13 56.146 0.300 . 1 . . . . 10 ARG CA . 10244 1 44 . 1 1 10 10 ARG CB C 13 31.005 0.300 . 1 . . . . 10 ARG CB . 10244 1 45 . 1 1 10 10 ARG CD C 13 43.416 0.300 . 1 . . . . 10 ARG CD . 10244 1 46 . 1 1 10 10 ARG CG C 13 26.770 0.300 . 1 . . . . 10 ARG CG . 10244 1 47 . 1 1 11 11 ASP H H 1 8.293 0.030 . 1 . . . . 11 ASP H . 10244 1 48 . 1 1 11 11 ASP HA H 1 4.582 0.030 . 1 . . . . 11 ASP HA . 10244 1 49 . 1 1 11 11 ASP HB2 H 1 2.658 0.030 . 2 . . . . 11 ASP HB2 . 10244 1 50 . 1 1 11 11 ASP HB3 H 1 2.546 0.030 . 2 . . . . 11 ASP HB3 . 10244 1 51 . 1 1 11 11 ASP C C 13 175.382 0.300 . 1 . . . . 11 ASP C . 10244 1 52 . 1 1 11 11 ASP CA C 13 54.612 0.300 . 1 . . . . 11 ASP CA . 10244 1 53 . 1 1 11 11 ASP CB C 13 41.572 0.300 . 1 . . . . 11 ASP CB . 10244 1 54 . 1 1 11 11 ASP N N 15 120.563 0.300 . 1 . . . . 11 ASP N . 10244 1 55 . 1 1 12 12 PHE H H 1 7.961 0.030 . 1 . . . . 12 PHE H . 10244 1 56 . 1 1 12 12 PHE HA H 1 4.758 0.030 . 1 . . . . 12 PHE HA . 10244 1 57 . 1 1 12 12 PHE HB2 H 1 3.121 0.030 . 2 . . . . 12 PHE HB2 . 10244 1 58 . 1 1 12 12 PHE HB3 H 1 3.013 0.030 . 2 . . . . 12 PHE HB3 . 10244 1 59 . 1 1 12 12 PHE HD1 H 1 7.215 0.030 . 1 . . . . 12 PHE HD1 . 10244 1 60 . 1 1 12 12 PHE HD2 H 1 7.215 0.030 . 1 . . . . 12 PHE HD2 . 10244 1 61 . 1 1 12 12 PHE HE1 H 1 7.354 0.030 . 1 . . . . 12 PHE HE1 . 10244 1 62 . 1 1 12 12 PHE HE2 H 1 7.354 0.030 . 1 . . . . 12 PHE HE2 . 10244 1 63 . 1 1 12 12 PHE C C 13 175.068 0.300 . 1 . . . . 12 PHE C . 10244 1 64 . 1 1 12 12 PHE CA C 13 58.990 0.300 . 1 . . . . 12 PHE CA . 10244 1 65 . 1 1 12 12 PHE CB C 13 40.037 0.300 . 1 . . . . 12 PHE CB . 10244 1 66 . 1 1 12 12 PHE CD1 C 13 131.906 0.300 . 1 . . . . 12 PHE CD1 . 10244 1 67 . 1 1 12 12 PHE CD2 C 13 131.906 0.300 . 1 . . . . 12 PHE CD2 . 10244 1 68 . 1 1 12 12 PHE CE1 C 13 131.648 0.300 . 1 . . . . 12 PHE CE1 . 10244 1 69 . 1 1 12 12 PHE CE2 C 13 131.648 0.300 . 1 . . . . 12 PHE CE2 . 10244 1 70 . 1 1 12 12 PHE N N 15 118.808 0.300 . 1 . . . . 12 PHE N . 10244 1 71 . 1 1 13 13 ILE H H 1 8.167 0.030 . 1 . . . . 13 ILE H . 10244 1 72 . 1 1 13 13 ILE HA H 1 4.167 0.030 . 1 . . . . 13 ILE HA . 10244 1 73 . 1 1 13 13 ILE HB H 1 1.810 0.030 . 1 . . . . 13 ILE HB . 10244 1 74 . 1 1 13 13 ILE HD11 H 1 0.847 0.030 . 1 . . . . 13 ILE HD1 . 10244 1 75 . 1 1 13 13 ILE HD12 H 1 0.847 0.030 . 1 . . . . 13 ILE HD1 . 10244 1 76 . 1 1 13 13 ILE HD13 H 1 0.847 0.030 . 1 . . . . 13 ILE HD1 . 10244 1 77 . 1 1 13 13 ILE HG12 H 1 1.444 0.030 . 2 . . . . 13 ILE HG12 . 10244 1 78 . 1 1 13 13 ILE HG13 H 1 1.128 0.030 . 2 . . . . 13 ILE HG13 . 10244 1 79 . 1 1 13 13 ILE HG21 H 1 0.856 0.030 . 1 . . . . 13 ILE HG2 . 10244 1 80 . 1 1 13 13 ILE HG22 H 1 0.856 0.030 . 1 . . . . 13 ILE HG2 . 10244 1 81 . 1 1 13 13 ILE HG23 H 1 0.856 0.030 . 1 . . . . 13 ILE HG2 . 10244 1 82 . 1 1 13 13 ILE C C 13 175.712 0.300 . 1 . . . . 13 ILE C . 10244 1 83 . 1 1 13 13 ILE CA C 13 60.976 0.300 . 1 . . . . 13 ILE CA . 10244 1 84 . 1 1 13 13 ILE CB C 13 39.277 0.300 . 1 . . . . 13 ILE CB . 10244 1 85 . 1 1 13 13 ILE CD1 C 13 12.919 0.300 . 1 . . . . 13 ILE CD1 . 10244 1 86 . 1 1 13 13 ILE CG1 C 13 27.460 0.300 . 1 . . . . 13 ILE CG1 . 10244 1 87 . 1 1 13 13 ILE CG2 C 13 17.495 0.300 . 1 . . . . 13 ILE CG2 . 10244 1 88 . 1 1 13 13 ILE N N 15 122.190 0.300 . 1 . . . . 13 ILE N . 10244 1 89 . 1 1 14 14 ILE H H 1 8.287 0.030 . 1 . . . . 14 ILE H . 10244 1 90 . 1 1 14 14 ILE HA H 1 4.163 0.030 . 1 . . . . 14 ILE HA . 10244 1 91 . 1 1 14 14 ILE HB H 1 1.841 0.030 . 1 . . . . 14 ILE HB . 10244 1 92 . 1 1 14 14 ILE HD11 H 1 0.905 0.030 . 1 . . . . 14 ILE HD1 . 10244 1 93 . 1 1 14 14 ILE HD12 H 1 0.905 0.030 . 1 . . . . 14 ILE HD1 . 10244 1 94 . 1 1 14 14 ILE HD13 H 1 0.905 0.030 . 1 . . . . 14 ILE HD1 . 10244 1 95 . 1 1 14 14 ILE HG12 H 1 1.547 0.030 . 2 . . . . 14 ILE HG12 . 10244 1 96 . 1 1 14 14 ILE HG13 H 1 1.188 0.030 . 2 . . . . 14 ILE HG13 . 10244 1 97 . 1 1 14 14 ILE HG21 H 1 0.879 0.030 . 1 . . . . 14 ILE HG2 . 10244 1 98 . 1 1 14 14 ILE HG22 H 1 0.879 0.030 . 1 . . . . 14 ILE HG2 . 10244 1 99 . 1 1 14 14 ILE HG23 H 1 0.879 0.030 . 1 . . . . 14 ILE HG2 . 10244 1 100 . 1 1 14 14 ILE C C 13 176.116 0.300 . 1 . . . . 14 ILE C . 10244 1 101 . 1 1 14 14 ILE CA C 13 61.142 0.300 . 1 . . . . 14 ILE CA . 10244 1 102 . 1 1 14 14 ILE CB C 13 38.438 0.300 . 1 . . . . 14 ILE CB . 10244 1 103 . 1 1 14 14 ILE CD1 C 13 12.971 0.300 . 1 . . . . 14 ILE CD1 . 10244 1 104 . 1 1 14 14 ILE CG1 C 13 27.594 0.300 . 1 . . . . 14 ILE CG1 . 10244 1 105 . 1 1 14 14 ILE CG2 C 13 17.541 0.300 . 1 . . . . 14 ILE CG2 . 10244 1 106 . 1 1 14 14 ILE N N 15 125.550 0.300 . 1 . . . . 14 ILE N . 10244 1 107 . 1 1 15 15 LEU H H 1 8.398 0.030 . 1 . . . . 15 LEU H . 10244 1 108 . 1 1 15 15 LEU HA H 1 4.397 0.030 . 1 . . . . 15 LEU HA . 10244 1 109 . 1 1 15 15 LEU HB2 H 1 1.680 0.030 . 2 . . . . 15 LEU HB2 . 10244 1 110 . 1 1 15 15 LEU HB3 H 1 1.561 0.030 . 2 . . . . 15 LEU HB3 . 10244 1 111 . 1 1 15 15 LEU HD11 H 1 0.918 0.030 . 1 . . . . 15 LEU HD1 . 10244 1 112 . 1 1 15 15 LEU HD12 H 1 0.918 0.030 . 1 . . . . 15 LEU HD1 . 10244 1 113 . 1 1 15 15 LEU HD13 H 1 0.918 0.030 . 1 . . . . 15 LEU HD1 . 10244 1 114 . 1 1 15 15 LEU HD21 H 1 0.874 0.030 . 1 . . . . 15 LEU HD2 . 10244 1 115 . 1 1 15 15 LEU HD22 H 1 0.874 0.030 . 1 . . . . 15 LEU HD2 . 10244 1 116 . 1 1 15 15 LEU HD23 H 1 0.874 0.030 . 1 . . . . 15 LEU HD2 . 10244 1 117 . 1 1 15 15 LEU HG H 1 1.616 0.030 . 1 . . . . 15 LEU HG . 10244 1 118 . 1 1 15 15 LEU C C 13 177.749 0.300 . 1 . . . . 15 LEU C . 10244 1 119 . 1 1 15 15 LEU CA C 13 55.123 0.300 . 1 . . . . 15 LEU CA . 10244 1 120 . 1 1 15 15 LEU CB C 13 42.560 0.300 . 1 . . . . 15 LEU CB . 10244 1 121 . 1 1 15 15 LEU CD1 C 13 25.122 0.300 . 2 . . . . 15 LEU CD1 . 10244 1 122 . 1 1 15 15 LEU CD2 C 13 23.309 0.300 . 2 . . . . 15 LEU CD2 . 10244 1 123 . 1 1 15 15 LEU CG C 13 27.017 0.300 . 1 . . . . 15 LEU CG . 10244 1 124 . 1 1 15 15 LEU N N 15 127.408 0.300 . 1 . . . . 15 LEU N . 10244 1 125 . 1 1 16 16 GLY H H 1 8.347 0.030 . 1 . . . . 16 GLY H . 10244 1 126 . 1 1 16 16 GLY HA2 H 1 3.964 0.030 . 1 . . . . 16 GLY HA2 . 10244 1 127 . 1 1 16 16 GLY HA3 H 1 3.964 0.030 . 1 . . . . 16 GLY HA3 . 10244 1 128 . 1 1 16 16 GLY C C 13 172.979 0.300 . 1 . . . . 16 GLY C . 10244 1 129 . 1 1 16 16 GLY CA C 13 45.286 0.300 . 1 . . . . 16 GLY CA . 10244 1 130 . 1 1 16 16 GLY N N 15 109.546 0.300 . 1 . . . . 16 GLY N . 10244 1 131 . 1 1 17 17 ASN H H 1 7.974 0.030 . 1 . . . . 17 ASN H . 10244 1 132 . 1 1 17 17 ASN HA H 1 4.577 0.030 . 1 . . . . 17 ASN HA . 10244 1 133 . 1 1 17 17 ASN HB2 H 1 2.839 0.030 . 2 . . . . 17 ASN HB2 . 10244 1 134 . 1 1 17 17 ASN HB3 H 1 2.721 0.030 . 2 . . . . 17 ASN HB3 . 10244 1 135 . 1 1 17 17 ASN HD21 H 1 7.596 0.030 . 2 . . . . 17 ASN HD21 . 10244 1 136 . 1 1 17 17 ASN HD22 H 1 6.907 0.030 . 2 . . . . 17 ASN HD22 . 10244 1 137 . 1 1 17 17 ASN C C 13 175.869 0.300 . 1 . . . . 17 ASN C . 10244 1 138 . 1 1 17 17 ASN CA C 13 54.665 0.300 . 1 . . . . 17 ASN CA . 10244 1 139 . 1 1 17 17 ASN CB C 13 40.830 0.300 . 1 . . . . 17 ASN CB . 10244 1 140 . 1 1 17 17 ASN N N 15 124.057 0.300 . 1 . . . . 17 ASN N . 10244 1 141 . 1 1 17 17 ASN ND2 N 15 112.856 0.300 . 1 . . . . 17 ASN ND2 . 10244 1 142 . 1 1 18 18 GLY H H 1 8.150 0.030 . 1 . . . . 18 GLY H . 10244 1 143 . 1 1 18 18 GLY HA2 H 1 4.073 0.030 . 1 . . . . 18 GLY HA2 . 10244 1 144 . 1 1 18 18 GLY HA3 H 1 4.073 0.030 . 1 . . . . 18 GLY HA3 . 10244 1 145 . 1 1 18 18 GLY C C 13 172.372 0.300 . 1 . . . . 18 GLY C . 10244 1 146 . 1 1 18 18 GLY CA C 13 44.898 0.300 . 1 . . . . 18 GLY CA . 10244 1 147 . 1 1 18 18 GLY N N 15 113.988 0.300 . 1 . . . . 18 GLY N . 10244 1 148 . 1 1 19 19 PRO HA H 1 4.441 0.030 . 1 . . . . 19 PRO HA . 10244 1 149 . 1 1 19 19 PRO HB2 H 1 2.294 0.030 . 2 . . . . 19 PRO HB2 . 10244 1 150 . 1 1 19 19 PRO HB3 H 1 1.911 0.030 . 2 . . . . 19 PRO HB3 . 10244 1 151 . 1 1 19 19 PRO HD2 H 1 3.640 0.030 . 1 . . . . 19 PRO HD2 . 10244 1 152 . 1 1 19 19 PRO HD3 H 1 3.640 0.030 . 1 . . . . 19 PRO HD3 . 10244 1 153 . 1 1 19 19 PRO HG2 H 1 2.028 0.030 . 1 . . . . 19 PRO HG2 . 10244 1 154 . 1 1 19 19 PRO HG3 H 1 2.028 0.030 . 1 . . . . 19 PRO HG3 . 10244 1 155 . 1 1 19 19 PRO C C 13 177.039 0.300 . 1 . . . . 19 PRO C . 10244 1 156 . 1 1 19 19 PRO CA C 13 63.268 0.300 . 1 . . . . 19 PRO CA . 10244 1 157 . 1 1 19 19 PRO CB C 13 32.159 0.300 . 1 . . . . 19 PRO CB . 10244 1 158 . 1 1 19 19 PRO CD C 13 49.848 0.300 . 1 . . . . 19 PRO CD . 10244 1 159 . 1 1 19 19 PRO CG C 13 27.230 0.300 . 1 . . . . 19 PRO CG . 10244 1 160 . 1 1 20 20 ARG H H 1 8.414 0.030 . 1 . . . . 20 ARG H . 10244 1 161 . 1 1 20 20 ARG HA H 1 4.339 0.030 . 1 . . . . 20 ARG HA . 10244 1 162 . 1 1 20 20 ARG HB2 H 1 1.867 0.030 . 2 . . . . 20 ARG HB2 . 10244 1 163 . 1 1 20 20 ARG HB3 H 1 1.789 0.030 . 2 . . . . 20 ARG HB3 . 10244 1 164 . 1 1 20 20 ARG HD2 H 1 3.225 0.030 . 2 . . . . 20 ARG HD2 . 10244 1 165 . 1 1 20 20 ARG HG2 H 1 1.617 0.030 . 1 . . . . 20 ARG HG2 . 10244 1 166 . 1 1 20 20 ARG HG3 H 1 1.617 0.030 . 1 . . . . 20 ARG HG3 . 10244 1 167 . 1 1 20 20 ARG C C 13 176.312 0.300 . 1 . . . . 20 ARG C . 10244 1 168 . 1 1 20 20 ARG CA C 13 56.111 0.300 . 1 . . . . 20 ARG CA . 10244 1 169 . 1 1 20 20 ARG CB C 13 30.612 0.300 . 1 . . . . 20 ARG CB . 10244 1 170 . 1 1 20 20 ARG CD C 13 43.498 0.300 . 1 . . . . 20 ARG CD . 10244 1 171 . 1 1 20 20 ARG CG C 13 27.017 0.300 . 1 . . . . 20 ARG CG . 10244 1 172 . 1 1 20 20 ARG N N 15 120.839 0.300 . 1 . . . . 20 ARG N . 10244 1 173 . 1 1 21 21 LEU H H 1 8.306 0.030 . 1 . . . . 21 LEU H . 10244 1 174 . 1 1 21 21 LEU HA H 1 4.405 0.030 . 1 . . . . 21 LEU HA . 10244 1 175 . 1 1 21 21 LEU HB2 H 1 1.625 0.030 . 2 . . . . 21 LEU HB2 . 10244 1 176 . 1 1 21 21 LEU HD11 H 1 0.919 0.030 . 1 . . . . 21 LEU HD1 . 10244 1 177 . 1 1 21 21 LEU HD12 H 1 0.919 0.030 . 1 . . . . 21 LEU HD1 . 10244 1 178 . 1 1 21 21 LEU HD13 H 1 0.919 0.030 . 1 . . . . 21 LEU HD1 . 10244 1 179 . 1 1 21 21 LEU HD21 H 1 0.919 0.030 . 1 . . . . 21 LEU HD2 . 10244 1 180 . 1 1 21 21 LEU HD22 H 1 0.919 0.030 . 1 . . . . 21 LEU HD2 . 10244 1 181 . 1 1 21 21 LEU HD23 H 1 0.919 0.030 . 1 . . . . 21 LEU HD2 . 10244 1 182 . 1 1 21 21 LEU HG H 1 1.625 0.030 . 1 . . . . 21 LEU HG . 10244 1 183 . 1 1 21 21 LEU C C 13 177.403 0.300 . 1 . . . . 21 LEU C . 10244 1 184 . 1 1 21 21 LEU CA C 13 55.141 0.300 . 1 . . . . 21 LEU CA . 10244 1 185 . 1 1 21 21 LEU CB C 13 42.190 0.300 . 1 . . . . 21 LEU CB . 10244 1 186 . 1 1 21 21 LEU CD1 C 13 25.122 0.300 . 2 . . . . 21 LEU CD1 . 10244 1 187 . 1 1 21 21 LEU CD2 C 13 23.392 0.300 . 2 . . . . 21 LEU CD2 . 10244 1 188 . 1 1 21 21 LEU CG C 13 27.017 0.300 . 1 . . . . 21 LEU CG . 10244 1 189 . 1 1 21 21 LEU N N 15 123.561 0.300 . 1 . . . . 21 LEU N . 10244 1 190 . 1 1 22 22 GLN H H 1 8.406 0.030 . 1 . . . . 22 GLN H . 10244 1 191 . 1 1 22 22 GLN HA H 1 4.336 0.030 . 1 . . . . 22 GLN HA . 10244 1 192 . 1 1 22 22 GLN HB2 H 1 2.110 0.030 . 2 . . . . 22 GLN HB2 . 10244 1 193 . 1 1 22 22 GLN HB3 H 1 1.994 0.030 . 2 . . . . 22 GLN HB3 . 10244 1 194 . 1 1 22 22 GLN HE21 H 1 7.557 0.030 . 2 . . . . 22 GLN HE21 . 10244 1 195 . 1 1 22 22 GLN HE22 H 1 6.874 0.030 . 2 . . . . 22 GLN HE22 . 10244 1 196 . 1 1 22 22 GLN HG2 H 1 2.369 0.030 . 1 . . . . 22 GLN HG2 . 10244 1 197 . 1 1 22 22 GLN HG3 H 1 2.369 0.030 . 1 . . . . 22 GLN HG3 . 10244 1 198 . 1 1 22 22 GLN C C 13 175.699 0.300 . 1 . . . . 22 GLN C . 10244 1 199 . 1 1 22 22 GLN CA C 13 56.181 0.300 . 1 . . . . 22 GLN CA . 10244 1 200 . 1 1 22 22 GLN CB C 13 29.492 0.300 . 1 . . . . 22 GLN CB . 10244 1 201 . 1 1 22 22 GLN CG C 13 33.873 0.300 . 1 . . . . 22 GLN CG . 10244 1 202 . 1 1 22 22 GLN N N 15 120.835 0.300 . 1 . . . . 22 GLN N . 10244 1 203 . 1 1 22 22 GLN NE2 N 15 112.130 0.300 . 1 . . . . 22 GLN NE2 . 10244 1 204 . 1 1 24 24 SER HA H 1 4.451 0.030 . 1 . . . . 24 SER HA . 10244 1 205 . 1 1 24 24 SER HB2 H 1 3.775 0.030 . 2 . . . . 24 SER HB2 . 10244 1 206 . 1 1 24 24 SER HB3 H 1 3.712 0.030 . 2 . . . . 24 SER HB3 . 10244 1 207 . 1 1 24 24 SER C C 13 173.514 0.300 . 1 . . . . 24 SER C . 10244 1 208 . 1 1 24 24 SER CA C 13 58.579 0.300 . 1 . . . . 24 SER CA . 10244 1 209 . 1 1 24 24 SER CB C 13 63.967 0.300 . 1 . . . . 24 SER CB . 10244 1 210 . 1 1 25 25 THR H H 1 7.806 0.030 . 1 . . . . 25 THR H . 10244 1 211 . 1 1 25 25 THR HA H 1 4.348 0.030 . 1 . . . . 25 THR HA . 10244 1 212 . 1 1 25 25 THR HB H 1 3.905 0.030 . 1 . . . . 25 THR HB . 10244 1 213 . 1 1 25 25 THR HG21 H 1 1.020 0.030 . 1 . . . . 25 THR HG2 . 10244 1 214 . 1 1 25 25 THR HG22 H 1 1.020 0.030 . 1 . . . . 25 THR HG2 . 10244 1 215 . 1 1 25 25 THR HG23 H 1 1.020 0.030 . 1 . . . . 25 THR HG2 . 10244 1 216 . 1 1 25 25 THR C C 13 173.359 0.300 . 1 . . . . 25 THR C . 10244 1 217 . 1 1 25 25 THR CA C 13 61.593 0.300 . 1 . . . . 25 THR CA . 10244 1 218 . 1 1 25 25 THR CB C 13 70.716 0.300 . 1 . . . . 25 THR CB . 10244 1 219 . 1 1 25 25 THR CG2 C 13 21.826 0.300 . 1 . . . . 25 THR CG2 . 10244 1 220 . 1 1 25 25 THR N N 15 114.185 0.300 . 1 . . . . 25 THR N . 10244 1 221 . 1 1 26 26 TYR H H 1 8.598 0.030 . 1 . . . . 26 TYR H . 10244 1 222 . 1 1 26 26 TYR HA H 1 4.670 0.030 . 1 . . . . 26 TYR HA . 10244 1 223 . 1 1 26 26 TYR HB2 H 1 2.619 0.030 . 2 . . . . 26 TYR HB2 . 10244 1 224 . 1 1 26 26 TYR HB3 H 1 2.833 0.030 . 2 . . . . 26 TYR HB3 . 10244 1 225 . 1 1 26 26 TYR HD1 H 1 6.833 0.030 . 1 . . . . 26 TYR HD1 . 10244 1 226 . 1 1 26 26 TYR HD2 H 1 6.833 0.030 . 1 . . . . 26 TYR HD2 . 10244 1 227 . 1 1 26 26 TYR HE1 H 1 6.662 0.030 . 1 . . . . 26 TYR HE1 . 10244 1 228 . 1 1 26 26 TYR HE2 H 1 6.662 0.030 . 1 . . . . 26 TYR HE2 . 10244 1 229 . 1 1 26 26 TYR C C 13 174.444 0.300 . 1 . . . . 26 TYR C . 10244 1 230 . 1 1 26 26 TYR CA C 13 56.798 0.300 . 1 . . . . 26 TYR CA . 10244 1 231 . 1 1 26 26 TYR CB C 13 39.717 0.300 . 1 . . . . 26 TYR CB . 10244 1 232 . 1 1 26 26 TYR CD1 C 13 132.963 0.300 . 1 . . . . 26 TYR CD1 . 10244 1 233 . 1 1 26 26 TYR CD2 C 13 132.963 0.300 . 1 . . . . 26 TYR CD2 . 10244 1 234 . 1 1 26 26 TYR CE1 C 13 118.064 0.300 . 1 . . . . 26 TYR CE1 . 10244 1 235 . 1 1 26 26 TYR CE2 C 13 118.064 0.300 . 1 . . . . 26 TYR CE2 . 10244 1 236 . 1 1 26 26 TYR N N 15 121.326 0.300 . 1 . . . . 26 TYR N . 10244 1 237 . 1 1 27 27 GLN H H 1 8.528 0.030 . 1 . . . . 27 GLN H . 10244 1 238 . 1 1 27 27 GLN HA H 1 4.670 0.030 . 1 . . . . 27 GLN HA . 10244 1 239 . 1 1 27 27 GLN HB2 H 1 1.996 0.030 . 2 . . . . 27 GLN HB2 . 10244 1 240 . 1 1 27 27 GLN HB3 H 1 1.903 0.030 . 2 . . . . 27 GLN HB3 . 10244 1 241 . 1 1 27 27 GLN HE21 H 1 7.818 0.030 . 2 . . . . 27 GLN HE21 . 10244 1 242 . 1 1 27 27 GLN HE22 H 1 6.478 0.030 . 2 . . . . 27 GLN HE22 . 10244 1 243 . 1 1 27 27 GLN HG2 H 1 2.218 0.030 . 2 . . . . 27 GLN HG2 . 10244 1 244 . 1 1 27 27 GLN HG3 H 1 2.129 0.030 . 2 . . . . 27 GLN HG3 . 10244 1 245 . 1 1 27 27 GLN C C 13 175.055 0.300 . 1 . . . . 27 GLN C . 10244 1 246 . 1 1 27 27 GLN CA C 13 54.718 0.300 . 1 . . . . 27 GLN CA . 10244 1 247 . 1 1 27 27 GLN CB C 13 30.938 0.300 . 1 . . . . 27 GLN CB . 10244 1 248 . 1 1 27 27 GLN CG C 13 33.363 0.300 . 1 . . . . 27 GLN CG . 10244 1 249 . 1 1 27 27 GLN N N 15 123.045 0.300 . 1 . . . . 27 GLN N . 10244 1 250 . 1 1 27 27 GLN NE2 N 15 113.655 0.300 . 1 . . . . 27 GLN NE2 . 10244 1 251 . 1 1 28 28 CYS H H 1 8.682 0.030 . 1 . . . . 28 CYS H . 10244 1 252 . 1 1 28 28 CYS HA H 1 4.331 0.030 . 1 . . . . 28 CYS HA . 10244 1 253 . 1 1 28 28 CYS HB2 H 1 3.276 0.030 . 2 . . . . 28 CYS HB2 . 10244 1 254 . 1 1 28 28 CYS HB3 H 1 2.545 0.030 . 2 . . . . 28 CYS HB3 . 10244 1 255 . 1 1 28 28 CYS C C 13 176.610 0.300 . 1 . . . . 28 CYS C . 10244 1 256 . 1 1 28 28 CYS CA C 13 60.394 0.300 . 1 . . . . 28 CYS CA . 10244 1 257 . 1 1 28 28 CYS CB C 13 29.850 0.300 . 1 . . . . 28 CYS CB . 10244 1 258 . 1 1 28 28 CYS N N 15 129.276 0.300 . 1 . . . . 28 CYS N . 10244 1 259 . 1 1 29 29 LYS H H 1 8.454 0.030 . 1 . . . . 29 LYS H . 10244 1 260 . 1 1 29 29 LYS HA H 1 4.257 0.030 . 1 . . . . 29 LYS HA . 10244 1 261 . 1 1 29 29 LYS HB2 H 1 1.597 0.030 . 2 . . . . 29 LYS HB2 . 10244 1 262 . 1 1 29 29 LYS HB3 H 1 1.511 0.030 . 2 . . . . 29 LYS HB3 . 10244 1 263 . 1 1 29 29 LYS HD2 H 1 1.578 0.030 . 1 . . . . 29 LYS HD2 . 10244 1 264 . 1 1 29 29 LYS HD3 H 1 1.578 0.030 . 1 . . . . 29 LYS HD3 . 10244 1 265 . 1 1 29 29 LYS HE2 H 1 2.911 0.030 . 1 . . . . 29 LYS HE2 . 10244 1 266 . 1 1 29 29 LYS HE3 H 1 2.911 0.030 . 1 . . . . 29 LYS HE3 . 10244 1 267 . 1 1 29 29 LYS HG2 H 1 1.230 0.030 . 2 . . . . 29 LYS HG2 . 10244 1 268 . 1 1 29 29 LYS HG3 H 1 0.887 0.030 . 2 . . . . 29 LYS HG3 . 10244 1 269 . 1 1 29 29 LYS C C 13 176.581 0.300 . 1 . . . . 29 LYS C . 10244 1 270 . 1 1 29 29 LYS CA C 13 57.584 0.300 . 1 . . . . 29 LYS CA . 10244 1 271 . 1 1 29 29 LYS CB C 13 32.145 0.300 . 1 . . . . 29 LYS CB . 10244 1 272 . 1 1 29 29 LYS CD C 13 28.995 0.300 . 1 . . . . 29 LYS CD . 10244 1 273 . 1 1 29 29 LYS CE C 13 42.042 0.300 . 1 . . . . 29 LYS CE . 10244 1 274 . 1 1 29 29 LYS CG C 13 24.133 0.300 . 1 . . . . 29 LYS CG . 10244 1 275 . 1 1 29 29 LYS N N 15 127.445 0.300 . 1 . . . . 29 LYS N . 10244 1 276 . 1 1 30 30 HIS H H 1 9.625 0.030 . 1 . . . . 30 HIS H . 10244 1 277 . 1 1 30 30 HIS HA H 1 4.608 0.030 . 1 . . . . 30 HIS HA . 10244 1 278 . 1 1 30 30 HIS HB2 H 1 2.610 0.030 . 2 . . . . 30 HIS HB2 . 10244 1 279 . 1 1 30 30 HIS HB3 H 1 1.880 0.030 . 2 . . . . 30 HIS HB3 . 10244 1 280 . 1 1 30 30 HIS HE1 H 1 7.737 0.030 . 1 . . . . 30 HIS HE1 . 10244 1 281 . 1 1 30 30 HIS C C 13 175.524 0.300 . 1 . . . . 30 HIS C . 10244 1 282 . 1 1 30 30 HIS CA C 13 56.956 0.300 . 1 . . . . 30 HIS CA . 10244 1 283 . 1 1 30 30 HIS CB C 13 30.732 0.300 . 1 . . . . 30 HIS CB . 10244 1 284 . 1 1 30 30 HIS CE1 C 13 139.253 0.300 . 1 . . . . 30 HIS CE1 . 10244 1 285 . 1 1 30 30 HIS N N 15 121.657 0.300 . 1 . . . . 30 HIS N . 10244 1 286 . 1 1 31 31 CYS H H 1 8.086 0.030 . 1 . . . . 31 CYS H . 10244 1 287 . 1 1 31 31 CYS HA H 1 5.078 0.030 . 1 . . . . 31 CYS HA . 10244 1 288 . 1 1 31 31 CYS HB2 H 1 3.473 0.030 . 2 . . . . 31 CYS HB2 . 10244 1 289 . 1 1 31 31 CYS HB3 H 1 3.088 0.030 . 2 . . . . 31 CYS HB3 . 10244 1 290 . 1 1 31 31 CYS C C 13 173.769 0.300 . 1 . . . . 31 CYS C . 10244 1 291 . 1 1 31 31 CYS CA C 13 58.349 0.300 . 1 . . . . 31 CYS CA . 10244 1 292 . 1 1 31 31 CYS CB C 13 31.268 0.300 . 1 . . . . 31 CYS CB . 10244 1 293 . 1 1 31 31 CYS N N 15 118.457 0.300 . 1 . . . . 31 CYS N . 10244 1 294 . 1 1 32 32 ASP H H 1 8.135 0.030 . 1 . . . . 32 ASP H . 10244 1 295 . 1 1 32 32 ASP HA H 1 4.637 0.030 . 1 . . . . 32 ASP HA . 10244 1 296 . 1 1 32 32 ASP HB2 H 1 2.859 0.030 . 1 . . . . 32 ASP HB2 . 10244 1 297 . 1 1 32 32 ASP HB3 H 1 2.859 0.030 . 1 . . . . 32 ASP HB3 . 10244 1 298 . 1 1 32 32 ASP C C 13 176.540 0.300 . 1 . . . . 32 ASP C . 10244 1 299 . 1 1 32 32 ASP CA C 13 55.687 0.300 . 1 . . . . 32 ASP CA . 10244 1 300 . 1 1 32 32 ASP CB C 13 40.418 0.300 . 1 . . . . 32 ASP CB . 10244 1 301 . 1 1 32 32 ASP N N 15 116.820 0.300 . 1 . . . . 32 ASP N . 10244 1 302 . 1 1 33 33 SER H H 1 8.667 0.030 . 1 . . . . 33 SER H . 10244 1 303 . 1 1 33 33 SER HA H 1 4.267 0.030 . 1 . . . . 33 SER HA . 10244 1 304 . 1 1 33 33 SER HB2 H 1 3.491 0.030 . 2 . . . . 33 SER HB2 . 10244 1 305 . 1 1 33 33 SER HB3 H 1 3.380 0.030 . 2 . . . . 33 SER HB3 . 10244 1 306 . 1 1 33 33 SER C C 13 172.462 0.300 . 1 . . . . 33 SER C . 10244 1 307 . 1 1 33 33 SER CA C 13 61.452 0.300 . 1 . . . . 33 SER CA . 10244 1 308 . 1 1 33 33 SER CB C 13 63.893 0.300 . 1 . . . . 33 SER CB . 10244 1 309 . 1 1 33 33 SER N N 15 119.488 0.300 . 1 . . . . 33 SER N . 10244 1 310 . 1 1 34 34 LYS H H 1 8.389 0.030 . 1 . . . . 34 LYS H . 10244 1 311 . 1 1 34 34 LYS HA H 1 4.747 0.030 . 1 . . . . 34 LYS HA . 10244 1 312 . 1 1 34 34 LYS HB2 H 1 1.714 0.030 . 2 . . . . 34 LYS HB2 . 10244 1 313 . 1 1 34 34 LYS HB3 H 1 1.655 0.030 . 2 . . . . 34 LYS HB3 . 10244 1 314 . 1 1 34 34 LYS HD2 H 1 1.656 0.030 . 1 . . . . 34 LYS HD2 . 10244 1 315 . 1 1 34 34 LYS HD3 H 1 1.656 0.030 . 1 . . . . 34 LYS HD3 . 10244 1 316 . 1 1 34 34 LYS HE2 H 1 2.997 0.030 . 1 . . . . 34 LYS HE2 . 10244 1 317 . 1 1 34 34 LYS HE3 H 1 2.997 0.030 . 1 . . . . 34 LYS HE3 . 10244 1 318 . 1 1 34 34 LYS HG2 H 1 1.499 0.030 . 2 . . . . 34 LYS HG2 . 10244 1 319 . 1 1 34 34 LYS HG3 H 1 1.247 0.030 . 2 . . . . 34 LYS HG3 . 10244 1 320 . 1 1 34 34 LYS C C 13 175.517 0.300 . 1 . . . . 34 LYS C . 10244 1 321 . 1 1 34 34 LYS CA C 13 55.476 0.300 . 1 . . . . 34 LYS CA . 10244 1 322 . 1 1 34 34 LYS CB C 13 33.526 0.300 . 1 . . . . 34 LYS CB . 10244 1 323 . 1 1 34 34 LYS CD C 13 29.490 0.300 . 1 . . . . 34 LYS CD . 10244 1 324 . 1 1 34 34 LYS CE C 13 42.262 0.300 . 1 . . . . 34 LYS CE . 10244 1 325 . 1 1 34 34 LYS CG C 13 25.176 0.300 . 1 . . . . 34 LYS CG . 10244 1 326 . 1 1 34 34 LYS N N 15 122.954 0.300 . 1 . . . . 34 LYS N . 10244 1 327 . 1 1 35 35 LEU H H 1 8.825 0.030 . 1 . . . . 35 LEU H . 10244 1 328 . 1 1 35 35 LEU HA H 1 4.847 0.030 . 1 . . . . 35 LEU HA . 10244 1 329 . 1 1 35 35 LEU HB2 H 1 1.873 0.030 . 2 . . . . 35 LEU HB2 . 10244 1 330 . 1 1 35 35 LEU HB3 H 1 1.783 0.030 . 2 . . . . 35 LEU HB3 . 10244 1 331 . 1 1 35 35 LEU HD11 H 1 0.573 0.030 . 1 . . . . 35 LEU HD1 . 10244 1 332 . 1 1 35 35 LEU HD12 H 1 0.573 0.030 . 1 . . . . 35 LEU HD1 . 10244 1 333 . 1 1 35 35 LEU HD13 H 1 0.573 0.030 . 1 . . . . 35 LEU HD1 . 10244 1 334 . 1 1 35 35 LEU HD21 H 1 0.731 0.030 . 1 . . . . 35 LEU HD2 . 10244 1 335 . 1 1 35 35 LEU HD22 H 1 0.731 0.030 . 1 . . . . 35 LEU HD2 . 10244 1 336 . 1 1 35 35 LEU HD23 H 1 0.731 0.030 . 1 . . . . 35 LEU HD2 . 10244 1 337 . 1 1 35 35 LEU HG H 1 1.602 0.030 . 1 . . . . 35 LEU HG . 10244 1 338 . 1 1 35 35 LEU C C 13 177.476 0.300 . 1 . . . . 35 LEU C . 10244 1 339 . 1 1 35 35 LEU CA C 13 52.673 0.300 . 1 . . . . 35 LEU CA . 10244 1 340 . 1 1 35 35 LEU CB C 13 42.115 0.300 . 1 . . . . 35 LEU CB . 10244 1 341 . 1 1 35 35 LEU CD1 C 13 24.718 0.300 . 2 . . . . 35 LEU CD1 . 10244 1 342 . 1 1 35 35 LEU CD2 C 13 22.881 0.300 . 2 . . . . 35 LEU CD2 . 10244 1 343 . 1 1 35 35 LEU CG C 13 28.558 0.300 . 1 . . . . 35 LEU CG . 10244 1 344 . 1 1 35 35 LEU N N 15 126.489 0.300 . 1 . . . . 35 LEU N . 10244 1 345 . 1 1 36 36 GLN H H 1 8.883 0.030 . 1 . . . . 36 GLN H . 10244 1 346 . 1 1 36 36 GLN HA H 1 4.565 0.030 . 1 . . . . 36 GLN HA . 10244 1 347 . 1 1 36 36 GLN HB2 H 1 2.339 0.030 . 2 . . . . 36 GLN HB2 . 10244 1 348 . 1 1 36 36 GLN HB3 H 1 2.093 0.030 . 2 . . . . 36 GLN HB3 . 10244 1 349 . 1 1 36 36 GLN HE21 H 1 7.666 0.030 . 2 . . . . 36 GLN HE21 . 10244 1 350 . 1 1 36 36 GLN HE22 H 1 6.814 0.030 . 2 . . . . 36 GLN HE22 . 10244 1 351 . 1 1 36 36 GLN HG2 H 1 2.489 0.030 . 2 . . . . 36 GLN HG2 . 10244 1 352 . 1 1 36 36 GLN HG3 H 1 2.416 0.030 . 2 . . . . 36 GLN HG3 . 10244 1 353 . 1 1 36 36 GLN C C 13 175.227 0.300 . 1 . . . . 36 GLN C . 10244 1 354 . 1 1 36 36 GLN CA C 13 56.763 0.300 . 1 . . . . 36 GLN CA . 10244 1 355 . 1 1 36 36 GLN CB C 13 30.225 0.300 . 1 . . . . 36 GLN CB . 10244 1 356 . 1 1 36 36 GLN CG C 13 34.351 0.300 . 1 . . . . 36 GLN CG . 10244 1 357 . 1 1 36 36 GLN N N 15 116.410 0.300 . 1 . . . . 36 GLN N . 10244 1 358 . 1 1 36 36 GLN NE2 N 15 112.405 0.300 . 1 . . . . 36 GLN NE2 . 10244 1 359 . 1 1 37 37 SER H H 1 7.345 0.030 . 1 . . . . 37 SER H . 10244 1 360 . 1 1 37 37 SER HA H 1 4.569 0.030 . 1 . . . . 37 SER HA . 10244 1 361 . 1 1 37 37 SER HB2 H 1 4.206 0.030 . 2 . . . . 37 SER HB2 . 10244 1 362 . 1 1 37 37 SER HB3 H 1 3.984 0.030 . 2 . . . . 37 SER HB3 . 10244 1 363 . 1 1 37 37 SER C C 13 179.414 0.300 . 1 . . . . 37 SER C . 10244 1 364 . 1 1 37 37 SER CA C 13 56.780 0.300 . 1 . . . . 37 SER CA . 10244 1 365 . 1 1 37 37 SER CB C 13 66.444 0.300 . 1 . . . . 37 SER CB . 10244 1 366 . 1 1 37 37 SER N N 15 110.125 0.300 . 1 . . . . 37 SER N . 10244 1 367 . 1 1 38 38 THR H H 1 8.099 0.030 . 1 . . . . 38 THR H . 10244 1 368 . 1 1 38 38 THR HA H 1 3.627 0.030 . 1 . . . . 38 THR HA . 10244 1 369 . 1 1 38 38 THR HB H 1 4.100 0.030 . 1 . . . . 38 THR HB . 10244 1 370 . 1 1 38 38 THR HG21 H 1 1.141 0.030 . 1 . . . . 38 THR HG2 . 10244 1 371 . 1 1 38 38 THR HG22 H 1 1.141 0.030 . 1 . . . . 38 THR HG2 . 10244 1 372 . 1 1 38 38 THR HG23 H 1 1.141 0.030 . 1 . . . . 38 THR HG2 . 10244 1 373 . 1 1 38 38 THR CA C 13 65.831 0.300 . 1 . . . . 38 THR CA . 10244 1 374 . 1 1 38 38 THR CB C 13 68.118 0.300 . 1 . . . . 38 THR CB . 10244 1 375 . 1 1 38 38 THR CG2 C 13 22.333 0.300 . 1 . . . . 38 THR CG2 . 10244 1 376 . 1 1 38 38 THR N N 15 121.696 0.300 . 1 . . . . 38 THR N . 10244 1 377 . 1 1 39 39 ALA HA H 1 4.155 0.030 . 1 . . . . 39 ALA HA . 10244 1 378 . 1 1 39 39 ALA HB1 H 1 1.426 0.030 . 1 . . . . 39 ALA HB . 10244 1 379 . 1 1 39 39 ALA HB2 H 1 1.426 0.030 . 1 . . . . 39 ALA HB . 10244 1 380 . 1 1 39 39 ALA HB3 H 1 1.426 0.030 . 1 . . . . 39 ALA HB . 10244 1 381 . 1 1 39 39 ALA C C 13 180.623 0.300 . 1 . . . . 39 ALA C . 10244 1 382 . 1 1 39 39 ALA CA C 13 55.406 0.300 . 1 . . . . 39 ALA CA . 10244 1 383 . 1 1 39 39 ALA CB C 13 18.098 0.300 . 1 . . . . 39 ALA CB . 10244 1 384 . 1 1 40 40 GLU H H 1 7.881 0.030 . 1 . . . . 40 GLU H . 10244 1 385 . 1 1 40 40 GLU HA H 1 4.114 0.030 . 1 . . . . 40 GLU HA . 10244 1 386 . 1 1 40 40 GLU HB2 H 1 2.149 0.030 . 2 . . . . 40 GLU HB2 . 10244 1 387 . 1 1 40 40 GLU HB3 H 1 2.035 0.030 . 2 . . . . 40 GLU HB3 . 10244 1 388 . 1 1 40 40 GLU HG2 H 1 2.388 0.030 . 2 . . . . 40 GLU HG2 . 10244 1 389 . 1 1 40 40 GLU HG3 H 1 2.306 0.030 . 2 . . . . 40 GLU HG3 . 10244 1 390 . 1 1 40 40 GLU C C 13 179.352 0.300 . 1 . . . . 40 GLU C . 10244 1 391 . 1 1 40 40 GLU CA C 13 58.914 0.300 . 1 . . . . 40 GLU CA . 10244 1 392 . 1 1 40 40 GLU CB C 13 30.822 0.300 . 1 . . . . 40 GLU CB . 10244 1 393 . 1 1 40 40 GLU CG C 13 37.316 0.300 . 1 . . . . 40 GLU CG . 10244 1 394 . 1 1 40 40 GLU N N 15 118.475 0.300 . 1 . . . . 40 GLU N . 10244 1 395 . 1 1 41 41 LEU H H 1 8.096 0.030 . 1 . . . . 41 LEU H . 10244 1 396 . 1 1 41 41 LEU HA H 1 4.115 0.030 . 1 . . . . 41 LEU HA . 10244 1 397 . 1 1 41 41 LEU HB2 H 1 2.033 0.030 . 2 . . . . 41 LEU HB2 . 10244 1 398 . 1 1 41 41 LEU HB3 H 1 1.327 0.030 . 2 . . . . 41 LEU HB3 . 10244 1 399 . 1 1 41 41 LEU HD11 H 1 0.864 0.030 . 1 . . . . 41 LEU HD1 . 10244 1 400 . 1 1 41 41 LEU HD12 H 1 0.864 0.030 . 1 . . . . 41 LEU HD1 . 10244 1 401 . 1 1 41 41 LEU HD13 H 1 0.864 0.030 . 1 . . . . 41 LEU HD1 . 10244 1 402 . 1 1 41 41 LEU HD21 H 1 0.919 0.030 . 1 . . . . 41 LEU HD2 . 10244 1 403 . 1 1 41 41 LEU HD22 H 1 0.919 0.030 . 1 . . . . 41 LEU HD2 . 10244 1 404 . 1 1 41 41 LEU HD23 H 1 0.919 0.030 . 1 . . . . 41 LEU HD2 . 10244 1 405 . 1 1 41 41 LEU HG H 1 1.606 0.030 . 1 . . . . 41 LEU HG . 10244 1 406 . 1 1 41 41 LEU C C 13 177.620 0.300 . 1 . . . . 41 LEU C . 10244 1 407 . 1 1 41 41 LEU CA C 13 58.841 0.300 . 1 . . . . 41 LEU CA . 10244 1 408 . 1 1 41 41 LEU CB C 13 41.442 0.300 . 1 . . . . 41 LEU CB . 10244 1 409 . 1 1 41 41 LEU CD1 C 13 22.815 0.300 . 2 . . . . 41 LEU CD1 . 10244 1 410 . 1 1 41 41 LEU CD2 C 13 25.035 0.300 . 2 . . . . 41 LEU CD2 . 10244 1 411 . 1 1 41 41 LEU CG C 13 26.990 0.300 . 1 . . . . 41 LEU CG . 10244 1 412 . 1 1 41 41 LEU N N 15 121.715 0.300 . 1 . . . . 41 LEU N . 10244 1 413 . 1 1 42 42 THR H H 1 8.599 0.030 . 1 . . . . 42 THR H . 10244 1 414 . 1 1 42 42 THR HA H 1 3.860 0.030 . 1 . . . . 42 THR HA . 10244 1 415 . 1 1 42 42 THR HB H 1 4.282 0.030 . 1 . . . . 42 THR HB . 10244 1 416 . 1 1 42 42 THR HG21 H 1 1.261 0.030 . 1 . . . . 42 THR HG2 . 10244 1 417 . 1 1 42 42 THR HG22 H 1 1.261 0.030 . 1 . . . . 42 THR HG2 . 10244 1 418 . 1 1 42 42 THR HG23 H 1 1.261 0.030 . 1 . . . . 42 THR HG2 . 10244 1 419 . 1 1 42 42 THR C C 13 176.761 0.300 . 1 . . . . 42 THR C . 10244 1 420 . 1 1 42 42 THR CA C 13 67.345 0.300 . 1 . . . . 42 THR CA . 10244 1 421 . 1 1 42 42 THR CB C 13 68.758 0.300 . 1 . . . . 42 THR CB . 10244 1 422 . 1 1 42 42 THR CG2 C 13 21.671 0.300 . 1 . . . . 42 THR CG2 . 10244 1 423 . 1 1 42 42 THR N N 15 115.801 0.300 . 1 . . . . 42 THR N . 10244 1 424 . 1 1 43 43 SER H H 1 7.833 0.030 . 1 . . . . 43 SER H . 10244 1 425 . 1 1 43 43 SER HA H 1 4.251 0.030 . 1 . . . . 43 SER HA . 10244 1 426 . 1 1 43 43 SER HB2 H 1 3.978 0.030 . 1 . . . . 43 SER HB2 . 10244 1 427 . 1 1 43 43 SER HB3 H 1 3.978 0.030 . 1 . . . . 43 SER HB3 . 10244 1 428 . 1 1 43 43 SER C C 13 176.836 0.300 . 1 . . . . 43 SER C . 10244 1 429 . 1 1 43 43 SER CA C 13 61.646 0.300 . 1 . . . . 43 SER CA . 10244 1 430 . 1 1 43 43 SER CB C 13 62.750 0.300 . 1 . . . . 43 SER CB . 10244 1 431 . 1 1 43 43 SER N N 15 115.657 0.300 . 1 . . . . 43 SER N . 10244 1 432 . 1 1 44 44 HIS H H 1 8.415 0.030 . 1 . . . . 44 HIS H . 10244 1 433 . 1 1 44 44 HIS HA H 1 4.182 0.030 . 1 . . . . 44 HIS HA . 10244 1 434 . 1 1 44 44 HIS HB2 H 1 3.594 0.030 . 2 . . . . 44 HIS HB2 . 10244 1 435 . 1 1 44 44 HIS HB3 H 1 3.297 0.030 . 2 . . . . 44 HIS HB3 . 10244 1 436 . 1 1 44 44 HIS HD2 H 1 7.274 0.030 . 1 . . . . 44 HIS HD2 . 10244 1 437 . 1 1 44 44 HIS HE1 H 1 7.870 0.030 . 1 . . . . 44 HIS HE1 . 10244 1 438 . 1 1 44 44 HIS C C 13 177.125 0.300 . 1 . . . . 44 HIS C . 10244 1 439 . 1 1 44 44 HIS CA C 13 60.094 0.300 . 1 . . . . 44 HIS CA . 10244 1 440 . 1 1 44 44 HIS CB C 13 28.846 0.300 . 1 . . . . 44 HIS CB . 10244 1 441 . 1 1 44 44 HIS CD2 C 13 127.144 0.300 . 1 . . . . 44 HIS CD2 . 10244 1 442 . 1 1 44 44 HIS CE1 C 13 139.635 0.300 . 1 . . . . 44 HIS CE1 . 10244 1 443 . 1 1 44 44 HIS N N 15 122.271 0.300 . 1 . . . . 44 HIS N . 10244 1 444 . 1 1 45 45 LEU H H 1 8.854 0.030 . 1 . . . . 45 LEU H . 10244 1 445 . 1 1 45 45 LEU HA H 1 4.100 0.030 . 1 . . . . 45 LEU HA . 10244 1 446 . 1 1 45 45 LEU HB2 H 1 2.102 0.030 . 2 . . . . 45 LEU HB2 . 10244 1 447 . 1 1 45 45 LEU HB3 H 1 1.680 0.030 . 2 . . . . 45 LEU HB3 . 10244 1 448 . 1 1 45 45 LEU HD11 H 1 1.092 0.030 . 1 . . . . 45 LEU HD1 . 10244 1 449 . 1 1 45 45 LEU HD12 H 1 1.092 0.030 . 1 . . . . 45 LEU HD1 . 10244 1 450 . 1 1 45 45 LEU HD13 H 1 1.092 0.030 . 1 . . . . 45 LEU HD1 . 10244 1 451 . 1 1 45 45 LEU HD21 H 1 1.382 0.030 . 1 . . . . 45 LEU HD2 . 10244 1 452 . 1 1 45 45 LEU HD22 H 1 1.382 0.030 . 1 . . . . 45 LEU HD2 . 10244 1 453 . 1 1 45 45 LEU HD23 H 1 1.382 0.030 . 1 . . . . 45 LEU HD2 . 10244 1 454 . 1 1 45 45 LEU HG H 1 2.196 0.030 . 1 . . . . 45 LEU HG . 10244 1 455 . 1 1 45 45 LEU C C 13 179.448 0.300 . 1 . . . . 45 LEU C . 10244 1 456 . 1 1 45 45 LEU CA C 13 58.297 0.300 . 1 . . . . 45 LEU CA . 10244 1 457 . 1 1 45 45 LEU CB C 13 41.666 0.300 . 1 . . . . 45 LEU CB . 10244 1 458 . 1 1 45 45 LEU CD1 C 13 25.838 0.300 . 2 . . . . 45 LEU CD1 . 10244 1 459 . 1 1 45 45 LEU CD2 C 13 24.463 0.300 . 2 . . . . 45 LEU CD2 . 10244 1 460 . 1 1 45 45 LEU CG C 13 27.151 0.300 . 1 . . . . 45 LEU CG . 10244 1 461 . 1 1 45 45 LEU N N 15 118.289 0.300 . 1 . . . . 45 LEU N . 10244 1 462 . 1 1 46 46 ASN H H 1 7.730 0.030 . 1 . . . . 46 ASN H . 10244 1 463 . 1 1 46 46 ASN HA H 1 4.502 0.030 . 1 . . . . 46 ASN HA . 10244 1 464 . 1 1 46 46 ASN HB2 H 1 2.916 0.030 . 2 . . . . 46 ASN HB2 . 10244 1 465 . 1 1 46 46 ASN HB3 H 1 2.787 0.030 . 2 . . . . 46 ASN HB3 . 10244 1 466 . 1 1 46 46 ASN HD21 H 1 7.653 0.030 . 2 . . . . 46 ASN HD21 . 10244 1 467 . 1 1 46 46 ASN HD22 H 1 6.976 0.030 . 2 . . . . 46 ASN HD22 . 10244 1 468 . 1 1 46 46 ASN C C 13 177.759 0.300 . 1 . . . . 46 ASN C . 10244 1 469 . 1 1 46 46 ASN CA C 13 56.163 0.300 . 1 . . . . 46 ASN CA . 10244 1 470 . 1 1 46 46 ASN CB C 13 38.069 0.300 . 1 . . . . 46 ASN CB . 10244 1 471 . 1 1 46 46 ASN N N 15 117.155 0.300 . 1 . . . . 46 ASN N . 10244 1 472 . 1 1 46 46 ASN ND2 N 15 113.208 0.300 . 1 . . . . 46 ASN ND2 . 10244 1 473 . 1 1 47 47 ILE H H 1 7.670 0.030 . 1 . . . . 47 ILE H . 10244 1 474 . 1 1 47 47 ILE HA H 1 3.787 0.030 . 1 . . . . 47 ILE HA . 10244 1 475 . 1 1 47 47 ILE HB H 1 1.674 0.030 . 1 . . . . 47 ILE HB . 10244 1 476 . 1 1 47 47 ILE HD11 H 1 0.707 0.030 . 1 . . . . 47 ILE HD1 . 10244 1 477 . 1 1 47 47 ILE HD12 H 1 0.707 0.030 . 1 . . . . 47 ILE HD1 . 10244 1 478 . 1 1 47 47 ILE HD13 H 1 0.707 0.030 . 1 . . . . 47 ILE HD1 . 10244 1 479 . 1 1 47 47 ILE HG12 H 1 1.196 0.030 . 2 . . . . 47 ILE HG12 . 10244 1 480 . 1 1 47 47 ILE HG13 H 1 1.019 0.030 . 2 . . . . 47 ILE HG13 . 10244 1 481 . 1 1 47 47 ILE HG21 H 1 0.609 0.030 . 1 . . . . 47 ILE HG2 . 10244 1 482 . 1 1 47 47 ILE HG22 H 1 0.609 0.030 . 1 . . . . 47 ILE HG2 . 10244 1 483 . 1 1 47 47 ILE HG23 H 1 0.609 0.030 . 1 . . . . 47 ILE HG2 . 10244 1 484 . 1 1 47 47 ILE C C 13 178.447 0.300 . 1 . . . . 47 ILE C . 10244 1 485 . 1 1 47 47 ILE CA C 13 64.273 0.300 . 1 . . . . 47 ILE CA . 10244 1 486 . 1 1 47 47 ILE CB C 13 37.214 0.300 . 1 . . . . 47 ILE CB . 10244 1 487 . 1 1 47 47 ILE CD1 C 13 13.379 0.300 . 1 . . . . 47 ILE CD1 . 10244 1 488 . 1 1 47 47 ILE CG1 C 13 27.624 0.300 . 1 . . . . 47 ILE CG1 . 10244 1 489 . 1 1 47 47 ILE CG2 C 13 16.663 0.300 . 1 . . . . 47 ILE CG2 . 10244 1 490 . 1 1 47 47 ILE N N 15 119.392 0.300 . 1 . . . . 47 ILE N . 10244 1 491 . 1 1 48 48 HIS H H 1 6.999 0.030 . 1 . . . . 48 HIS H . 10244 1 492 . 1 1 48 48 HIS HA H 1 4.437 0.030 . 1 . . . . 48 HIS HA . 10244 1 493 . 1 1 48 48 HIS HB2 H 1 2.993 0.030 . 2 . . . . 48 HIS HB2 . 10244 1 494 . 1 1 48 48 HIS HB3 H 1 2.629 0.030 . 2 . . . . 48 HIS HB3 . 10244 1 495 . 1 1 48 48 HIS HD2 H 1 6.736 0.030 . 1 . . . . 48 HIS HD2 . 10244 1 496 . 1 1 48 48 HIS HE1 H 1 8.000 0.030 . 1 . . . . 48 HIS HE1 . 10244 1 497 . 1 1 48 48 HIS C C 13 175.932 0.300 . 1 . . . . 48 HIS C . 10244 1 498 . 1 1 48 48 HIS CA C 13 56.855 0.300 . 1 . . . . 48 HIS CA . 10244 1 499 . 1 1 48 48 HIS CB C 13 27.971 0.300 . 1 . . . . 48 HIS CB . 10244 1 500 . 1 1 48 48 HIS CD2 C 13 127.469 0.300 . 1 . . . . 48 HIS CD2 . 10244 1 501 . 1 1 48 48 HIS CE1 C 13 140.391 0.300 . 1 . . . . 48 HIS CE1 . 10244 1 502 . 1 1 48 48 HIS N N 15 116.931 0.300 . 1 . . . . 48 HIS N . 10244 1 503 . 1 1 49 49 ASN H H 1 8.059 0.030 . 1 . . . . 49 ASN H . 10244 1 504 . 1 1 49 49 ASN HA H 1 4.555 0.030 . 1 . . . . 49 ASN HA . 10244 1 505 . 1 1 49 49 ASN HB2 H 1 2.963 0.030 . 2 . . . . 49 ASN HB2 . 10244 1 506 . 1 1 49 49 ASN HB3 H 1 2.923 0.030 . 2 . . . . 49 ASN HB3 . 10244 1 507 . 1 1 49 49 ASN HD21 H 1 7.771 0.030 . 2 . . . . 49 ASN HD21 . 10244 1 508 . 1 1 49 49 ASN HD22 H 1 6.981 0.030 . 2 . . . . 49 ASN HD22 . 10244 1 509 . 1 1 49 49 ASN C C 13 177.139 0.300 . 1 . . . . 49 ASN C . 10244 1 510 . 1 1 49 49 ASN CA C 13 55.552 0.300 . 1 . . . . 49 ASN CA . 10244 1 511 . 1 1 49 49 ASN CB C 13 38.495 0.300 . 1 . . . . 49 ASN CB . 10244 1 512 . 1 1 49 49 ASN N N 15 118.208 0.300 . 1 . . . . 49 ASN N . 10244 1 513 . 1 1 49 49 ASN ND2 N 15 112.523 0.300 . 1 . . . . 49 ASN ND2 . 10244 1 514 . 1 1 50 50 GLU H H 1 8.336 0.030 . 1 . . . . 50 GLU H . 10244 1 515 . 1 1 50 50 GLU HA H 1 4.090 0.030 . 1 . . . . 50 GLU HA . 10244 1 516 . 1 1 50 50 GLU HB2 H 1 2.088 0.030 . 1 . . . . 50 GLU HB2 . 10244 1 517 . 1 1 50 50 GLU HB3 H 1 2.088 0.030 . 1 . . . . 50 GLU HB3 . 10244 1 518 . 1 1 50 50 GLU HG2 H 1 2.394 0.030 . 2 . . . . 50 GLU HG2 . 10244 1 519 . 1 1 50 50 GLU HG3 H 1 2.271 0.030 . 2 . . . . 50 GLU HG3 . 10244 1 520 . 1 1 50 50 GLU C C 13 178.637 0.300 . 1 . . . . 50 GLU C . 10244 1 521 . 1 1 50 50 GLU CA C 13 59.246 0.300 . 1 . . . . 50 GLU CA . 10244 1 522 . 1 1 50 50 GLU CB C 13 29.582 0.300 . 1 . . . . 50 GLU CB . 10244 1 523 . 1 1 50 50 GLU CG C 13 36.419 0.300 . 1 . . . . 50 GLU CG . 10244 1 524 . 1 1 50 50 GLU N N 15 121.316 0.300 . 1 . . . . 50 GLU N . 10244 1 525 . 1 1 51 51 GLU H H 1 7.932 0.030 . 1 . . . . 51 GLU H . 10244 1 526 . 1 1 51 51 GLU HA H 1 4.093 0.030 . 1 . . . . 51 GLU HA . 10244 1 527 . 1 1 51 51 GLU HB2 H 1 2.109 0.030 . 2 . . . . 51 GLU HB2 . 10244 1 528 . 1 1 51 51 GLU HB3 H 1 2.024 0.030 . 2 . . . . 51 GLU HB3 . 10244 1 529 . 1 1 51 51 GLU HG2 H 1 2.317 0.030 . 2 . . . . 51 GLU HG2 . 10244 1 530 . 1 1 51 51 GLU HG3 H 1 2.257 0.030 . 2 . . . . 51 GLU HG3 . 10244 1 531 . 1 1 51 51 GLU C C 13 179.088 0.300 . 1 . . . . 51 GLU C . 10244 1 532 . 1 1 51 51 GLU CA C 13 59.037 0.300 . 1 . . . . 51 GLU CA . 10244 1 533 . 1 1 51 51 GLU CB C 13 29.183 0.300 . 1 . . . . 51 GLU CB . 10244 1 534 . 1 1 51 51 GLU CG C 13 36.028 0.300 . 1 . . . . 51 GLU CG . 10244 1 535 . 1 1 51 51 GLU N N 15 120.058 0.300 . 1 . . . . 51 GLU N . 10244 1 536 . 1 1 52 52 PHE H H 1 8.345 0.030 . 1 . . . . 52 PHE H . 10244 1 537 . 1 1 52 52 PHE HA H 1 4.411 0.030 . 1 . . . . 52 PHE HA . 10244 1 538 . 1 1 52 52 PHE HB2 H 1 3.316 0.030 . 2 . . . . 52 PHE HB2 . 10244 1 539 . 1 1 52 52 PHE HB3 H 1 3.230 0.030 . 2 . . . . 52 PHE HB3 . 10244 1 540 . 1 1 52 52 PHE HD1 H 1 7.210 0.030 . 1 . . . . 52 PHE HD1 . 10244 1 541 . 1 1 52 52 PHE HD2 H 1 7.210 0.030 . 1 . . . . 52 PHE HD2 . 10244 1 542 . 1 1 52 52 PHE HE1 H 1 7.117 0.030 . 1 . . . . 52 PHE HE1 . 10244 1 543 . 1 1 52 52 PHE HE2 H 1 7.117 0.030 . 1 . . . . 52 PHE HE2 . 10244 1 544 . 1 1 52 52 PHE HZ H 1 6.902 0.030 . 1 . . . . 52 PHE HZ . 10244 1 545 . 1 1 52 52 PHE C C 13 178.654 0.300 . 1 . . . . 52 PHE C . 10244 1 546 . 1 1 52 52 PHE CA C 13 59.523 0.300 . 1 . . . . 52 PHE CA . 10244 1 547 . 1 1 52 52 PHE CB C 13 38.261 0.300 . 1 . . . . 52 PHE CB . 10244 1 548 . 1 1 52 52 PHE CD1 C 13 131.368 0.300 . 1 . . . . 52 PHE CD1 . 10244 1 549 . 1 1 52 52 PHE CD2 C 13 131.368 0.300 . 1 . . . . 52 PHE CD2 . 10244 1 550 . 1 1 52 52 PHE CE1 C 13 131.287 0.300 . 1 . . . . 52 PHE CE1 . 10244 1 551 . 1 1 52 52 PHE CE2 C 13 131.287 0.300 . 1 . . . . 52 PHE CE2 . 10244 1 552 . 1 1 52 52 PHE CZ C 13 129.504 0.300 . 1 . . . . 52 PHE CZ . 10244 1 553 . 1 1 52 52 PHE N N 15 119.698 0.300 . 1 . . . . 52 PHE N . 10244 1 554 . 1 1 53 53 GLN H H 1 8.197 0.030 . 1 . . . . 53 GLN H . 10244 1 555 . 1 1 53 53 GLN HA H 1 4.153 0.030 . 1 . . . . 53 GLN HA . 10244 1 556 . 1 1 53 53 GLN HB2 H 1 2.188 0.030 . 1 . . . . 53 GLN HB2 . 10244 1 557 . 1 1 53 53 GLN HB3 H 1 2.188 0.030 . 1 . . . . 53 GLN HB3 . 10244 1 558 . 1 1 53 53 GLN HE21 H 1 7.447 0.030 . 2 . . . . 53 GLN HE21 . 10244 1 559 . 1 1 53 53 GLN HE22 H 1 6.928 0.030 . 2 . . . . 53 GLN HE22 . 10244 1 560 . 1 1 53 53 GLN HG2 H 1 2.552 0.030 . 2 . . . . 53 GLN HG2 . 10244 1 561 . 1 1 53 53 GLN HG3 H 1 2.496 0.030 . 2 . . . . 53 GLN HG3 . 10244 1 562 . 1 1 53 53 GLN C C 13 178.059 0.300 . 1 . . . . 53 GLN C . 10244 1 563 . 1 1 53 53 GLN CA C 13 58.120 0.300 . 1 . . . . 53 GLN CA . 10244 1 564 . 1 1 53 53 GLN CB C 13 28.591 0.300 . 1 . . . . 53 GLN CB . 10244 1 565 . 1 1 53 53 GLN CG C 13 33.918 0.300 . 1 . . . . 53 GLN CG . 10244 1 566 . 1 1 53 53 GLN N N 15 118.967 0.300 . 1 . . . . 53 GLN N . 10244 1 567 . 1 1 53 53 GLN NE2 N 15 111.951 0.300 . 1 . . . . 53 GLN NE2 . 10244 1 568 . 1 1 54 54 LYS H H 1 8.008 0.030 . 1 . . . . 54 LYS H . 10244 1 569 . 1 1 54 54 LYS HA H 1 4.118 0.030 . 1 . . . . 54 LYS HA . 10244 1 570 . 1 1 54 54 LYS HB2 H 1 1.919 0.030 . 1 . . . . 54 LYS HB2 . 10244 1 571 . 1 1 54 54 LYS HB3 H 1 1.919 0.030 . 1 . . . . 54 LYS HB3 . 10244 1 572 . 1 1 54 54 LYS HD2 H 1 1.703 0.030 . 1 . . . . 54 LYS HD2 . 10244 1 573 . 1 1 54 54 LYS HD3 H 1 1.703 0.030 . 1 . . . . 54 LYS HD3 . 10244 1 574 . 1 1 54 54 LYS HE2 H 1 2.993 0.030 . 2 . . . . 54 LYS HE2 . 10244 1 575 . 1 1 54 54 LYS HG2 H 1 1.642 0.030 . 2 . . . . 54 LYS HG2 . 10244 1 576 . 1 1 54 54 LYS HG3 H 1 1.457 0.030 . 2 . . . . 54 LYS HG3 . 10244 1 577 . 1 1 54 54 LYS C C 13 178.686 0.300 . 1 . . . . 54 LYS C . 10244 1 578 . 1 1 54 54 LYS CA C 13 59.002 0.300 . 1 . . . . 54 LYS CA . 10244 1 579 . 1 1 54 54 LYS CB C 13 32.608 0.300 . 1 . . . . 54 LYS CB . 10244 1 580 . 1 1 54 54 LYS CD C 13 29.299 0.300 . 1 . . . . 54 LYS CD . 10244 1 581 . 1 1 54 54 LYS CE C 13 42.262 0.300 . 1 . . . . 54 LYS CE . 10244 1 582 . 1 1 54 54 LYS CG C 13 25.474 0.300 . 1 . . . . 54 LYS CG . 10244 1 583 . 1 1 54 54 LYS N N 15 119.791 0.300 . 1 . . . . 54 LYS N . 10244 1 584 . 1 1 55 55 ARG H H 1 7.978 0.030 . 1 . . . . 55 ARG H . 10244 1 585 . 1 1 55 55 ARG HA H 1 4.136 0.030 . 1 . . . . 55 ARG HA . 10244 1 586 . 1 1 55 55 ARG HB2 H 1 1.909 0.030 . 1 . . . . 55 ARG HB2 . 10244 1 587 . 1 1 55 55 ARG HB3 H 1 1.909 0.030 . 1 . . . . 55 ARG HB3 . 10244 1 588 . 1 1 55 55 ARG HD2 H 1 3.214 0.030 . 1 . . . . 55 ARG HD2 . 10244 1 589 . 1 1 55 55 ARG HD3 H 1 3.214 0.030 . 1 . . . . 55 ARG HD3 . 10244 1 590 . 1 1 55 55 ARG HG2 H 1 1.788 0.030 . 2 . . . . 55 ARG HG2 . 10244 1 591 . 1 1 55 55 ARG HG3 H 1 1.648 0.030 . 2 . . . . 55 ARG HG3 . 10244 1 592 . 1 1 55 55 ARG C C 13 177.610 0.300 . 1 . . . . 55 ARG C . 10244 1 593 . 1 1 55 55 ARG CA C 13 58.183 0.300 . 1 . . . . 55 ARG CA . 10244 1 594 . 1 1 55 55 ARG CB C 13 30.410 0.300 . 1 . . . . 55 ARG CB . 10244 1 595 . 1 1 55 55 ARG CD C 13 43.746 0.300 . 1 . . . . 55 ARG CD . 10244 1 596 . 1 1 55 55 ARG CG C 13 27.366 0.300 . 1 . . . . 55 ARG CG . 10244 1 597 . 1 1 55 55 ARG N N 15 119.619 0.300 . 1 . . . . 55 ARG N . 10244 1 598 . 1 1 56 56 ALA H H 1 8.008 0.030 . 1 . . . . 56 ALA H . 10244 1 599 . 1 1 56 56 ALA HA H 1 4.196 0.030 . 1 . . . . 56 ALA HA . 10244 1 600 . 1 1 56 56 ALA HB1 H 1 1.416 0.030 . 1 . . . . 56 ALA HB . 10244 1 601 . 1 1 56 56 ALA HB2 H 1 1.416 0.030 . 1 . . . . 56 ALA HB . 10244 1 602 . 1 1 56 56 ALA HB3 H 1 1.416 0.030 . 1 . . . . 56 ALA HB . 10244 1 603 . 1 1 56 56 ALA C C 13 179.269 0.300 . 1 . . . . 56 ALA C . 10244 1 604 . 1 1 56 56 ALA CA C 13 53.930 0.300 . 1 . . . . 56 ALA CA . 10244 1 605 . 1 1 56 56 ALA CB C 13 18.539 0.300 . 1 . . . . 56 ALA CB . 10244 1 606 . 1 1 56 56 ALA N N 15 122.850 0.300 . 1 . . . . 56 ALA N . 10244 1 607 . 1 1 57 57 LYS H H 1 8.014 0.030 . 1 . . . . 57 LYS H . 10244 1 608 . 1 1 57 57 LYS HA H 1 4.225 0.030 . 1 . . . . 57 LYS HA . 10244 1 609 . 1 1 57 57 LYS HB2 H 1 1.920 0.030 . 1 . . . . 57 LYS HB2 . 10244 1 610 . 1 1 57 57 LYS HB3 H 1 1.920 0.030 . 1 . . . . 57 LYS HB3 . 10244 1 611 . 1 1 57 57 LYS HD2 H 1 1.708 0.030 . 1 . . . . 57 LYS HD2 . 10244 1 612 . 1 1 57 57 LYS HD3 H 1 1.708 0.030 . 1 . . . . 57 LYS HD3 . 10244 1 613 . 1 1 57 57 LYS HE2 H 1 2.992 0.030 . 1 . . . . 57 LYS HE2 . 10244 1 614 . 1 1 57 57 LYS HE3 H 1 2.992 0.030 . 1 . . . . 57 LYS HE3 . 10244 1 615 . 1 1 57 57 LYS HG2 H 1 1.566 0.030 . 2 . . . . 57 LYS HG2 . 10244 1 616 . 1 1 57 57 LYS HG3 H 1 1.486 0.030 . 2 . . . . 57 LYS HG3 . 10244 1 617 . 1 1 57 57 LYS C C 13 177.892 0.300 . 1 . . . . 57 LYS C . 10244 1 618 . 1 1 57 57 LYS CA C 13 57.504 0.300 . 1 . . . . 57 LYS CA . 10244 1 619 . 1 1 57 57 LYS CB C 13 32.646 0.300 . 1 . . . . 57 LYS CB . 10244 1 620 . 1 1 57 57 LYS CD C 13 29.158 0.300 . 1 . . . . 57 LYS CD . 10244 1 621 . 1 1 57 57 LYS CE C 13 42.345 0.300 . 1 . . . . 57 LYS CE . 10244 1 622 . 1 1 57 57 LYS CG C 13 25.008 0.300 . 1 . . . . 57 LYS CG . 10244 1 623 . 1 1 57 57 LYS N N 15 118.986 0.300 . 1 . . . . 57 LYS N . 10244 1 624 . 1 1 58 58 ARG H H 1 8.039 0.030 . 1 . . . . 58 ARG H . 10244 1 625 . 1 1 58 58 ARG HA H 1 4.229 0.030 . 1 . . . . 58 ARG HA . 10244 1 626 . 1 1 58 58 ARG HB2 H 1 1.845 0.030 . 1 . . . . 58 ARG HB2 . 10244 1 627 . 1 1 58 58 ARG HB3 H 1 1.845 0.030 . 1 . . . . 58 ARG HB3 . 10244 1 628 . 1 1 58 58 ARG HD2 H 1 3.225 0.030 . 1 . . . . 58 ARG HD2 . 10244 1 629 . 1 1 58 58 ARG HD3 H 1 3.225 0.030 . 1 . . . . 58 ARG HD3 . 10244 1 630 . 1 1 58 58 ARG HG2 H 1 1.691 0.030 . 1 . . . . 58 ARG HG2 . 10244 1 631 . 1 1 58 58 ARG HG3 H 1 1.691 0.030 . 1 . . . . 58 ARG HG3 . 10244 1 632 . 1 1 58 58 ARG C C 13 177.156 0.300 . 1 . . . . 58 ARG C . 10244 1 633 . 1 1 58 58 ARG CA C 13 57.425 0.300 . 1 . . . . 58 ARG CA . 10244 1 634 . 1 1 58 58 ARG CB C 13 30.561 0.300 . 1 . . . . 58 ARG CB . 10244 1 635 . 1 1 58 58 ARG CD C 13 43.498 0.300 . 1 . . . . 58 ARG CD . 10244 1 636 . 1 1 58 58 ARG CG C 13 27.265 0.300 . 1 . . . . 58 ARG CG . 10244 1 637 . 1 1 58 58 ARG N N 15 120.747 0.300 . 1 . . . . 58 ARG N . 10244 1 638 . 1 1 59 59 GLN H H 1 8.195 0.030 . 1 . . . . 59 GLN H . 10244 1 639 . 1 1 59 59 GLN HA H 1 4.228 0.030 . 1 . . . . 59 GLN HA . 10244 1 640 . 1 1 59 59 GLN HB2 H 1 1.849 0.030 . 1 . . . . 59 GLN HB2 . 10244 1 641 . 1 1 59 59 GLN HB3 H 1 1.849 0.030 . 1 . . . . 59 GLN HB3 . 10244 1 642 . 1 1 59 59 GLN HG2 H 1 2.341 0.030 . 2 . . . . 59 GLN HG2 . 10244 1 643 . 1 1 59 59 GLN HG3 H 1 2.284 0.030 . 2 . . . . 59 GLN HG3 . 10244 1 644 . 1 1 59 59 GLN CA C 13 57.412 0.300 . 1 . . . . 59 GLN CA . 10244 1 645 . 1 1 59 59 GLN CB C 13 32.773 0.300 . 1 . . . . 59 GLN CB . 10244 1 646 . 1 1 59 59 GLN CG C 13 36.252 0.300 . 1 . . . . 59 GLN CG . 10244 1 647 . 1 1 59 59 GLN N N 15 121.145 0.300 . 1 . . . . 59 GLN N . 10244 1 648 . 1 1 60 60 GLU HA H 1 4.256 0.030 . 1 . . . . 60 GLU HA . 10244 1 649 . 1 1 60 60 GLU HB2 H 1 2.028 0.030 . 1 . . . . 60 GLU HB2 . 10244 1 650 . 1 1 60 60 GLU HB3 H 1 2.028 0.030 . 1 . . . . 60 GLU HB3 . 10244 1 651 . 1 1 60 60 GLU HG2 H 1 2.323 0.030 . 1 . . . . 60 GLU HG2 . 10244 1 652 . 1 1 60 60 GLU HG3 H 1 2.323 0.030 . 1 . . . . 60 GLU HG3 . 10244 1 653 . 1 1 60 60 GLU CA C 13 56.093 0.300 . 1 . . . . 60 GLU CA . 10244 1 654 . 1 1 60 60 GLU CB C 13 29.429 0.300 . 1 . . . . 60 GLU CB . 10244 1 655 . 1 1 60 60 GLU CG C 13 33.855 0.300 . 1 . . . . 60 GLU CG . 10244 1 656 . 1 1 63 63 LYS HA H 1 4.263 0.030 . 1 . . . . 63 LYS HA . 10244 1 657 . 1 1 63 63 LYS HB2 H 1 1.881 0.030 . 1 . . . . 63 LYS HB2 . 10244 1 658 . 1 1 63 63 LYS HB3 H 1 1.881 0.030 . 1 . . . . 63 LYS HB3 . 10244 1 659 . 1 1 63 63 LYS HE2 H 1 3.208 0.030 . 1 . . . . 63 LYS HE2 . 10244 1 660 . 1 1 63 63 LYS HE3 H 1 3.208 0.030 . 1 . . . . 63 LYS HE3 . 10244 1 661 . 1 1 63 63 LYS HG2 H 1 1.668 0.030 . 1 . . . . 63 LYS HG2 . 10244 1 662 . 1 1 63 63 LYS HG3 H 1 1.668 0.030 . 1 . . . . 63 LYS HG3 . 10244 1 663 . 1 1 63 63 LYS CA C 13 56.908 0.300 . 1 . . . . 63 LYS CA . 10244 1 664 . 1 1 63 63 LYS CB C 13 32.778 0.300 . 1 . . . . 63 LYS CB . 10244 1 665 . 1 1 64 64 GLN H H 1 8.261 0.030 . 1 . . . . 64 GLN H . 10244 1 666 . 1 1 64 64 GLN HA H 1 4.253 0.030 . 1 . . . . 64 GLN HA . 10244 1 667 . 1 1 64 64 GLN HB2 H 1 2.119 0.030 . 1 . . . . 64 GLN HB2 . 10244 1 668 . 1 1 64 64 GLN HB3 H 1 2.119 0.030 . 1 . . . . 64 GLN HB3 . 10244 1 669 . 1 1 64 64 GLN HE21 H 1 7.514 0.030 . 2 . . . . 64 GLN HE21 . 10244 1 670 . 1 1 64 64 GLN HE22 H 1 6.877 0.030 . 2 . . . . 64 GLN HE22 . 10244 1 671 . 1 1 64 64 GLN HG2 H 1 2.432 0.030 . 1 . . . . 64 GLN HG2 . 10244 1 672 . 1 1 64 64 GLN HG3 H 1 2.432 0.030 . 1 . . . . 64 GLN HG3 . 10244 1 673 . 1 1 64 64 GLN C C 13 176.687 0.300 . 1 . . . . 64 GLN C . 10244 1 674 . 1 1 64 64 GLN CA C 13 56.780 0.300 . 1 . . . . 64 GLN CA . 10244 1 675 . 1 1 64 64 GLN CB C 13 29.198 0.300 . 1 . . . . 64 GLN CB . 10244 1 676 . 1 1 64 64 GLN CG C 13 33.879 0.300 . 1 . . . . 64 GLN CG . 10244 1 677 . 1 1 64 64 GLN N N 15 120.299 0.300 . 1 . . . . 64 GLN N . 10244 1 678 . 1 1 64 64 GLN NE2 N 15 112.144 0.300 . 1 . . . . 64 GLN NE2 . 10244 1 679 . 1 1 65 65 LEU H H 1 8.190 0.030 . 1 . . . . 65 LEU H . 10244 1 680 . 1 1 65 65 LEU HA H 1 4.306 0.030 . 1 . . . . 65 LEU HA . 10244 1 681 . 1 1 65 65 LEU HB2 H 1 1.717 0.030 . 2 . . . . 65 LEU HB2 . 10244 1 682 . 1 1 65 65 LEU HB3 H 1 1.616 0.030 . 2 . . . . 65 LEU HB3 . 10244 1 683 . 1 1 65 65 LEU HD11 H 1 0.924 0.030 . 1 . . . . 65 LEU HD1 . 10244 1 684 . 1 1 65 65 LEU HD12 H 1 0.924 0.030 . 1 . . . . 65 LEU HD1 . 10244 1 685 . 1 1 65 65 LEU HD13 H 1 0.924 0.030 . 1 . . . . 65 LEU HD1 . 10244 1 686 . 1 1 65 65 LEU HD21 H 1 0.873 0.030 . 1 . . . . 65 LEU HD2 . 10244 1 687 . 1 1 65 65 LEU HD22 H 1 0.873 0.030 . 1 . . . . 65 LEU HD2 . 10244 1 688 . 1 1 65 65 LEU HD23 H 1 0.873 0.030 . 1 . . . . 65 LEU HD2 . 10244 1 689 . 1 1 65 65 LEU HG H 1 1.658 0.030 . 1 . . . . 65 LEU HG . 10244 1 690 . 1 1 65 65 LEU C C 13 177.894 0.300 . 1 . . . . 65 LEU C . 10244 1 691 . 1 1 65 65 LEU CA C 13 55.952 0.300 . 1 . . . . 65 LEU CA . 10244 1 692 . 1 1 65 65 LEU CB C 13 42.313 0.300 . 1 . . . . 65 LEU CB . 10244 1 693 . 1 1 65 65 LEU CD1 C 13 25.122 0.300 . 2 . . . . 65 LEU CD1 . 10244 1 694 . 1 1 65 65 LEU CD2 C 13 23.557 0.300 . 2 . . . . 65 LEU CD2 . 10244 1 695 . 1 1 65 65 LEU CG C 13 27.182 0.300 . 1 . . . . 65 LEU CG . 10244 1 696 . 1 1 65 65 LEU N N 15 122.723 0.300 . 1 . . . . 65 LEU N . 10244 1 697 . 1 1 66 66 LEU H H 1 8.165 0.030 . 1 . . . . 66 LEU H . 10244 1 698 . 1 1 66 66 LEU HA H 1 4.305 0.030 . 1 . . . . 66 LEU HA . 10244 1 699 . 1 1 66 66 LEU HB2 H 1 1.647 0.030 . 2 . . . . 66 LEU HB2 . 10244 1 700 . 1 1 66 66 LEU HB3 H 1 1.615 0.030 . 2 . . . . 66 LEU HB3 . 10244 1 701 . 1 1 66 66 LEU HD11 H 1 0.873 0.030 . 1 . . . . 66 LEU HD1 . 10244 1 702 . 1 1 66 66 LEU HD12 H 1 0.873 0.030 . 1 . . . . 66 LEU HD1 . 10244 1 703 . 1 1 66 66 LEU HD13 H 1 0.873 0.030 . 1 . . . . 66 LEU HD1 . 10244 1 704 . 1 1 66 66 LEU HD21 H 1 0.919 0.030 . 1 . . . . 66 LEU HD2 . 10244 1 705 . 1 1 66 66 LEU HD22 H 1 0.919 0.030 . 1 . . . . 66 LEU HD2 . 10244 1 706 . 1 1 66 66 LEU HD23 H 1 0.919 0.030 . 1 . . . . 66 LEU HD2 . 10244 1 707 . 1 1 66 66 LEU HG H 1 1.647 0.030 . 1 . . . . 66 LEU HG . 10244 1 708 . 1 1 66 66 LEU C C 13 177.867 0.300 . 1 . . . . 66 LEU C . 10244 1 709 . 1 1 66 66 LEU CA C 13 55.775 0.300 . 1 . . . . 66 LEU CA . 10244 1 710 . 1 1 66 66 LEU CB C 13 42.336 0.300 . 1 . . . . 66 LEU CB . 10244 1 711 . 1 1 66 66 LEU CD1 C 13 23.392 0.300 . 2 . . . . 66 LEU CD1 . 10244 1 712 . 1 1 66 66 LEU CD2 C 13 25.073 0.300 . 2 . . . . 66 LEU CD2 . 10244 1 713 . 1 1 66 66 LEU CG C 13 27.077 0.300 . 1 . . . . 66 LEU CG . 10244 1 714 . 1 1 66 66 LEU N N 15 121.812 0.300 . 1 . . . . 66 LEU N . 10244 1 715 . 1 1 67 67 SER H H 1 8.104 0.030 . 1 . . . . 67 SER H . 10244 1 716 . 1 1 67 67 SER CA C 13 58.896 0.300 . 1 . . . . 67 SER CA . 10244 1 717 . 1 1 67 67 SER CB C 13 63.674 0.300 . 1 . . . . 67 SER CB . 10244 1 718 . 1 1 67 67 SER N N 15 115.632 0.300 . 1 . . . . 67 SER N . 10244 1 719 . 1 1 69 69 GLN HA H 1 4.221 0.030 . 1 . . . . 69 GLN HA . 10244 1 720 . 1 1 69 69 GLN HB2 H 1 2.055 0.030 . 1 . . . . 69 GLN HB2 . 10244 1 721 . 1 1 69 69 GLN HB3 H 1 2.055 0.030 . 1 . . . . 69 GLN HB3 . 10244 1 722 . 1 1 69 69 GLN HG2 H 1 2.341 0.030 . 2 . . . . 69 GLN HG2 . 10244 1 723 . 1 1 69 69 GLN HG3 H 1 2.285 0.030 . 2 . . . . 69 GLN HG3 . 10244 1 724 . 1 1 69 69 GLN CA C 13 57.547 0.300 . 1 . . . . 69 GLN CA . 10244 1 725 . 1 1 69 69 GLN CB C 13 30.314 0.300 . 1 . . . . 69 GLN CB . 10244 1 726 . 1 1 69 69 GLN CG C 13 36.263 0.300 . 1 . . . . 69 GLN CG . 10244 1 727 . 1 1 70 70 LYS H H 1 8.255 0.030 . 1 . . . . 70 LYS H . 10244 1 728 . 1 1 70 70 LYS HA H 1 4.220 0.030 . 1 . . . . 70 LYS HA . 10244 1 729 . 1 1 70 70 LYS HB2 H 1 1.669 0.030 . 1 . . . . 70 LYS HB2 . 10244 1 730 . 1 1 70 70 LYS HB3 H 1 1.669 0.030 . 1 . . . . 70 LYS HB3 . 10244 1 731 . 1 1 70 70 LYS HD2 H 1 1.628 0.030 . 1 . . . . 70 LYS HD2 . 10244 1 732 . 1 1 70 70 LYS HD3 H 1 1.628 0.030 . 1 . . . . 70 LYS HD3 . 10244 1 733 . 1 1 70 70 LYS HE2 H 1 2.960 0.030 . 1 . . . . 70 LYS HE2 . 10244 1 734 . 1 1 70 70 LYS HE3 H 1 2.960 0.030 . 1 . . . . 70 LYS HE3 . 10244 1 735 . 1 1 70 70 LYS HG2 H 1 1.321 0.030 . 2 . . . . 70 LYS HG2 . 10244 1 736 . 1 1 70 70 LYS HG3 H 1 1.222 0.030 . 2 . . . . 70 LYS HG3 . 10244 1 737 . 1 1 70 70 LYS C C 13 176.303 0.300 . 1 . . . . 70 LYS C . 10244 1 738 . 1 1 70 70 LYS CA C 13 56.639 0.300 . 1 . . . . 70 LYS CA . 10244 1 739 . 1 1 70 70 LYS CB C 13 33.080 0.300 . 1 . . . . 70 LYS CB . 10244 1 740 . 1 1 70 70 LYS CD C 13 29.160 0.300 . 1 . . . . 70 LYS CD . 10244 1 741 . 1 1 70 70 LYS CE C 13 42.097 0.300 . 1 . . . . 70 LYS CE . 10244 1 742 . 1 1 70 70 LYS CG C 13 24.710 0.300 . 1 . . . . 70 LYS CG . 10244 1 743 . 1 1 70 70 LYS N N 15 121.417 0.300 . 1 . . . . 70 LYS N . 10244 1 744 . 1 1 71 71 TYR H H 1 8.142 0.030 . 1 . . . . 71 TYR H . 10244 1 745 . 1 1 71 71 TYR HA H 1 4.571 0.030 . 1 . . . . 71 TYR HA . 10244 1 746 . 1 1 71 71 TYR HB2 H 1 3.095 0.030 . 2 . . . . 71 TYR HB2 . 10244 1 747 . 1 1 71 71 TYR HB3 H 1 2.919 0.030 . 2 . . . . 71 TYR HB3 . 10244 1 748 . 1 1 71 71 TYR HD1 H 1 7.117 0.030 . 1 . . . . 71 TYR HD1 . 10244 1 749 . 1 1 71 71 TYR HD2 H 1 7.117 0.030 . 1 . . . . 71 TYR HD2 . 10244 1 750 . 1 1 71 71 TYR HE1 H 1 6.817 0.030 . 1 . . . . 71 TYR HE1 . 10244 1 751 . 1 1 71 71 TYR HE2 H 1 6.817 0.030 . 1 . . . . 71 TYR HE2 . 10244 1 752 . 1 1 71 71 TYR C C 13 175.736 0.300 . 1 . . . . 71 TYR C . 10244 1 753 . 1 1 71 71 TYR CA C 13 57.768 0.300 . 1 . . . . 71 TYR CA . 10244 1 754 . 1 1 71 71 TYR CB C 13 38.894 0.300 . 1 . . . . 71 TYR CB . 10244 1 755 . 1 1 71 71 TYR CD1 C 13 133.355 0.300 . 1 . . . . 71 TYR CD1 . 10244 1 756 . 1 1 71 71 TYR CD2 C 13 133.355 0.300 . 1 . . . . 71 TYR CD2 . 10244 1 757 . 1 1 71 71 TYR CE1 C 13 118.260 0.300 . 1 . . . . 71 TYR CE1 . 10244 1 758 . 1 1 71 71 TYR CE2 C 13 118.260 0.300 . 1 . . . . 71 TYR CE2 . 10244 1 759 . 1 1 71 71 TYR N N 15 120.561 0.300 . 1 . . . . 71 TYR N . 10244 1 760 . 1 1 72 72 ALA H H 1 8.237 0.030 . 1 . . . . 72 ALA H . 10244 1 761 . 1 1 72 72 ALA HA H 1 4.292 0.030 . 1 . . . . 72 ALA HA . 10244 1 762 . 1 1 72 72 ALA HB1 H 1 1.378 0.030 . 1 . . . . 72 ALA HB . 10244 1 763 . 1 1 72 72 ALA HB2 H 1 1.378 0.030 . 1 . . . . 72 ALA HB . 10244 1 764 . 1 1 72 72 ALA HB3 H 1 1.378 0.030 . 1 . . . . 72 ALA HB . 10244 1 765 . 1 1 72 72 ALA C C 13 177.276 0.300 . 1 . . . . 72 ALA C . 10244 1 766 . 1 1 72 72 ALA CA C 13 52.642 0.300 . 1 . . . . 72 ALA CA . 10244 1 767 . 1 1 72 72 ALA CB C 13 19.405 0.300 . 1 . . . . 72 ALA CB . 10244 1 768 . 1 1 72 72 ALA N N 15 125.192 0.300 . 1 . . . . 72 ALA N . 10244 1 769 . 1 1 73 73 ASP H H 1 8.220 0.030 . 1 . . . . 73 ASP H . 10244 1 770 . 1 1 73 73 ASP HA H 1 4.549 0.030 . 1 . . . . 73 ASP HA . 10244 1 771 . 1 1 73 73 ASP HB2 H 1 2.707 0.030 . 1 . . . . 73 ASP HB2 . 10244 1 772 . 1 1 73 73 ASP HB3 H 1 2.707 0.030 . 1 . . . . 73 ASP HB3 . 10244 1 773 . 1 1 73 73 ASP C C 13 176.922 0.300 . 1 . . . . 73 ASP C . 10244 1 774 . 1 1 73 73 ASP CA C 13 54.682 0.300 . 1 . . . . 73 ASP CA . 10244 1 775 . 1 1 73 73 ASP CB C 13 41.239 0.300 . 1 . . . . 73 ASP CB . 10244 1 776 . 1 1 73 73 ASP N N 15 119.269 0.300 . 1 . . . . 73 ASP N . 10244 1 777 . 1 1 74 74 GLY H H 1 8.269 0.030 . 1 . . . . 74 GLY H . 10244 1 778 . 1 1 74 74 GLY HA2 H 1 3.963 0.030 . 2 . . . . 74 GLY HA2 . 10244 1 779 . 1 1 74 74 GLY HA3 H 1 3.879 0.030 . 2 . . . . 74 GLY HA3 . 10244 1 780 . 1 1 74 74 GLY C C 13 174.132 0.300 . 1 . . . . 74 GLY C . 10244 1 781 . 1 1 74 74 GLY CA C 13 45.551 0.300 . 1 . . . . 74 GLY CA . 10244 1 782 . 1 1 74 74 GLY N N 15 109.209 0.300 . 1 . . . . 74 GLY N . 10244 1 783 . 1 1 75 75 ALA H H 1 8.048 0.030 . 1 . . . . 75 ALA H . 10244 1 784 . 1 1 75 75 ALA HA H 1 4.221 0.030 . 1 . . . . 75 ALA HA . 10244 1 785 . 1 1 75 75 ALA HB1 H 1 1.276 0.030 . 1 . . . . 75 ALA HB . 10244 1 786 . 1 1 75 75 ALA HB2 H 1 1.276 0.030 . 1 . . . . 75 ALA HB . 10244 1 787 . 1 1 75 75 ALA HB3 H 1 1.276 0.030 . 1 . . . . 75 ALA HB . 10244 1 788 . 1 1 75 75 ALA C C 13 177.507 0.300 . 1 . . . . 75 ALA C . 10244 1 789 . 1 1 75 75 ALA CA C 13 52.638 0.300 . 1 . . . . 75 ALA CA . 10244 1 790 . 1 1 75 75 ALA CB C 13 19.281 0.300 . 1 . . . . 75 ALA CB . 10244 1 791 . 1 1 75 75 ALA N N 15 123.382 0.300 . 1 . . . . 75 ALA N . 10244 1 792 . 1 1 76 76 PHE H H 1 8.126 0.030 . 1 . . . . 76 PHE H . 10244 1 793 . 1 1 76 76 PHE HA H 1 4.541 0.030 . 1 . . . . 76 PHE HA . 10244 1 794 . 1 1 76 76 PHE HB2 H 1 3.164 0.030 . 2 . . . . 76 PHE HB2 . 10244 1 795 . 1 1 76 76 PHE HB3 H 1 2.985 0.030 . 2 . . . . 76 PHE HB3 . 10244 1 796 . 1 1 76 76 PHE HD1 H 1 7.210 0.030 . 1 . . . . 76 PHE HD1 . 10244 1 797 . 1 1 76 76 PHE HD2 H 1 7.210 0.030 . 1 . . . . 76 PHE HD2 . 10244 1 798 . 1 1 76 76 PHE C C 13 175.620 0.300 . 1 . . . . 76 PHE C . 10244 1 799 . 1 1 76 76 PHE CA C 13 57.733 0.300 . 1 . . . . 76 PHE CA . 10244 1 800 . 1 1 76 76 PHE CB C 13 39.429 0.300 . 1 . . . . 76 PHE CB . 10244 1 801 . 1 1 76 76 PHE N N 15 118.540 0.300 . 1 . . . . 76 PHE N . 10244 1 802 . 1 1 77 77 ALA H H 1 8.017 0.030 . 1 . . . . 77 ALA H . 10244 1 803 . 1 1 77 77 ALA HA H 1 4.207 0.030 . 1 . . . . 77 ALA HA . 10244 1 804 . 1 1 77 77 ALA HB1 H 1 1.281 0.030 . 1 . . . . 77 ALA HB . 10244 1 805 . 1 1 77 77 ALA HB2 H 1 1.281 0.030 . 1 . . . . 77 ALA HB . 10244 1 806 . 1 1 77 77 ALA HB3 H 1 1.281 0.030 . 1 . . . . 77 ALA HB . 10244 1 807 . 1 1 77 77 ALA C C 13 176.990 0.300 . 1 . . . . 77 ALA C . 10244 1 808 . 1 1 77 77 ALA CA C 13 52.602 0.300 . 1 . . . . 77 ALA CA . 10244 1 809 . 1 1 77 77 ALA CB C 13 19.528 0.300 . 1 . . . . 77 ALA CB . 10244 1 810 . 1 1 77 77 ALA N N 15 124.826 0.300 . 1 . . . . 77 ALA N . 10244 1 811 . 1 1 78 78 ASP H H 1 8.061 0.030 . 1 . . . . 78 ASP H . 10244 1 812 . 1 1 78 78 ASP HA H 1 4.538 0.030 . 1 . . . . 78 ASP HA . 10244 1 813 . 1 1 78 78 ASP HB2 H 1 2.646 0.030 . 2 . . . . 78 ASP HB2 . 10244 1 814 . 1 1 78 78 ASP HB3 H 1 2.527 0.030 . 2 . . . . 78 ASP HB3 . 10244 1 815 . 1 1 78 78 ASP C C 13 175.908 0.300 . 1 . . . . 78 ASP C . 10244 1 816 . 1 1 78 78 ASP CA C 13 54.189 0.300 . 1 . . . . 78 ASP CA . 10244 1 817 . 1 1 78 78 ASP CB C 13 41.242 0.300 . 1 . . . . 78 ASP CB . 10244 1 818 . 1 1 78 78 ASP N N 15 119.019 0.300 . 1 . . . . 78 ASP N . 10244 1 819 . 1 1 79 79 PHE H H 1 8.023 0.030 . 1 . . . . 79 PHE H . 10244 1 820 . 1 1 79 79 PHE HA H 1 4.586 0.030 . 1 . . . . 79 PHE HA . 10244 1 821 . 1 1 79 79 PHE HB2 H 1 3.132 0.030 . 2 . . . . 79 PHE HB2 . 10244 1 822 . 1 1 79 79 PHE HB3 H 1 3.052 0.030 . 2 . . . . 79 PHE HB3 . 10244 1 823 . 1 1 79 79 PHE HD1 H 1 7.228 0.030 . 1 . . . . 79 PHE HD1 . 10244 1 824 . 1 1 79 79 PHE HD2 H 1 7.228 0.030 . 1 . . . . 79 PHE HD2 . 10244 1 825 . 1 1 79 79 PHE C C 13 175.551 0.300 . 1 . . . . 79 PHE C . 10244 1 826 . 1 1 79 79 PHE CA C 13 57.891 0.300 . 1 . . . . 79 PHE CA . 10244 1 827 . 1 1 79 79 PHE CB C 13 39.484 0.300 . 1 . . . . 79 PHE CB . 10244 1 828 . 1 1 79 79 PHE N N 15 120.449 0.300 . 1 . . . . 79 PHE N . 10244 1 829 . 1 1 80 80 LYS H H 1 8.161 0.030 . 1 . . . . 80 LYS H . 10244 1 830 . 1 1 80 80 LYS HA H 1 4.251 0.030 . 1 . . . . 80 LYS HA . 10244 1 831 . 1 1 80 80 LYS HB2 H 1 1.777 0.030 . 2 . . . . 80 LYS HB2 . 10244 1 832 . 1 1 80 80 LYS HB3 H 1 1.707 0.030 . 2 . . . . 80 LYS HB3 . 10244 1 833 . 1 1 80 80 LYS HD2 H 1 1.658 0.030 . 2 . . . . 80 LYS HD2 . 10244 1 834 . 1 1 80 80 LYS HE2 H 1 2.993 0.030 . 2 . . . . 80 LYS HE2 . 10244 1 835 . 1 1 80 80 LYS HG2 H 1 1.338 0.030 . 2 . . . . 80 LYS HG2 . 10244 1 836 . 1 1 80 80 LYS C C 13 176.027 0.300 . 1 . . . . 80 LYS C . 10244 1 837 . 1 1 80 80 LYS CA C 13 56.233 0.300 . 1 . . . . 80 LYS CA . 10244 1 838 . 1 1 80 80 LYS CB C 13 33.084 0.300 . 1 . . . . 80 LYS CB . 10244 1 839 . 1 1 80 80 LYS CD C 13 29.160 0.300 . 1 . . . . 80 LYS CD . 10244 1 840 . 1 1 80 80 LYS CE C 13 42.097 0.300 . 1 . . . . 80 LYS CE . 10244 1 841 . 1 1 80 80 LYS CG C 13 24.710 0.300 . 1 . . . . 80 LYS CG . 10244 1 842 . 1 1 80 80 LYS N N 15 123.309 0.300 . 1 . . . . 80 LYS N . 10244 1 843 . 1 1 81 81 GLN H H 1 8.329 0.030 . 1 . . . . 81 GLN H . 10244 1 844 . 1 1 81 81 GLN HA H 1 4.284 0.030 . 1 . . . . 81 GLN HA . 10244 1 845 . 1 1 81 81 GLN HB2 H 1 2.090 0.030 . 1 . . . . 81 GLN HB2 . 10244 1 846 . 1 1 81 81 GLN HB3 H 1 2.090 0.030 . 1 . . . . 81 GLN HB3 . 10244 1 847 . 1 1 81 81 GLN HE21 H 1 7.534 0.030 . 2 . . . . 81 GLN HE21 . 10244 1 848 . 1 1 81 81 GLN HE22 H 1 6.862 0.030 . 2 . . . . 81 GLN HE22 . 10244 1 849 . 1 1 81 81 GLN HG2 H 1 2.364 0.030 . 1 . . . . 81 GLN HG2 . 10244 1 850 . 1 1 81 81 GLN HG3 H 1 2.364 0.030 . 1 . . . . 81 GLN HG3 . 10244 1 851 . 1 1 81 81 GLN C C 13 176.009 0.300 . 1 . . . . 81 GLN C . 10244 1 852 . 1 1 81 81 GLN CA C 13 55.952 0.300 . 1 . . . . 81 GLN CA . 10244 1 853 . 1 1 81 81 GLN CB C 13 29.623 0.300 . 1 . . . . 81 GLN CB . 10244 1 854 . 1 1 81 81 GLN CG C 13 33.939 0.300 . 1 . . . . 81 GLN CG . 10244 1 855 . 1 1 81 81 GLN N N 15 121.944 0.300 . 1 . . . . 81 GLN N . 10244 1 856 . 1 1 81 81 GLN NE2 N 15 112.260 0.300 . 1 . . . . 81 GLN NE2 . 10244 1 857 . 1 1 82 82 GLU H H 1 8.542 0.030 . 1 . . . . 82 GLU H . 10244 1 858 . 1 1 82 82 GLU HA H 1 4.350 0.030 . 1 . . . . 82 GLU HA . 10244 1 859 . 1 1 82 82 GLU HB2 H 1 1.992 0.030 . 2 . . . . 82 GLU HB2 . 10244 1 860 . 1 1 82 82 GLU HB3 H 1 1.904 0.030 . 2 . . . . 82 GLU HB3 . 10244 1 861 . 1 1 82 82 GLU HG2 H 1 2.254 0.030 . 2 . . . . 82 GLU HG2 . 10244 1 862 . 1 1 82 82 GLU C C 13 176.509 0.300 . 1 . . . . 82 GLU C . 10244 1 863 . 1 1 82 82 GLU CA C 13 56.675 0.300 . 1 . . . . 82 GLU CA . 10244 1 864 . 1 1 82 82 GLU CB C 13 30.447 0.300 . 1 . . . . 82 GLU CB . 10244 1 865 . 1 1 82 82 GLU CG C 13 36.247 0.300 . 1 . . . . 82 GLU CG . 10244 1 866 . 1 1 82 82 GLU N N 15 122.687 0.300 . 1 . . . . 82 GLU N . 10244 1 867 . 1 1 83 83 SER H H 1 8.418 0.030 . 1 . . . . 83 SER H . 10244 1 868 . 1 1 83 83 SER HA H 1 4.516 0.030 . 1 . . . . 83 SER HA . 10244 1 869 . 1 1 83 83 SER HB2 H 1 3.887 0.030 . 1 . . . . 83 SER HB2 . 10244 1 870 . 1 1 83 83 SER HB3 H 1 3.887 0.030 . 1 . . . . 83 SER HB3 . 10244 1 871 . 1 1 83 83 SER C C 13 174.538 0.300 . 1 . . . . 83 SER C . 10244 1 872 . 1 1 83 83 SER CA C 13 58.403 0.300 . 1 . . . . 83 SER CA . 10244 1 873 . 1 1 83 83 SER CB C 13 64.018 0.300 . 1 . . . . 83 SER CB . 10244 1 874 . 1 1 83 83 SER N N 15 116.897 0.300 . 1 . . . . 83 SER N . 10244 1 875 . 1 1 84 84 GLY H H 1 8.276 0.030 . 1 . . . . 84 GLY H . 10244 1 876 . 1 1 84 84 GLY C C 13 171.814 0.300 . 1 . . . . 84 GLY C . 10244 1 877 . 1 1 84 84 GLY CA C 13 44.722 0.300 . 1 . . . . 84 GLY CA . 10244 1 878 . 1 1 84 84 GLY N N 15 110.673 0.300 . 1 . . . . 84 GLY N . 10244 1 879 . 1 1 85 85 PRO HA H 1 4.497 0.030 . 1 . . . . 85 PRO HA . 10244 1 880 . 1 1 85 85 PRO HB2 H 1 2.283 0.030 . 2 . . . . 85 PRO HB2 . 10244 1 881 . 1 1 85 85 PRO HB3 H 1 1.998 0.030 . 2 . . . . 85 PRO HB3 . 10244 1 882 . 1 1 85 85 PRO HD2 H 1 3.910 0.030 . 2 . . . . 85 PRO HD2 . 10244 1 883 . 1 1 85 85 PRO HD3 H 1 3.708 0.030 . 2 . . . . 85 PRO HD3 . 10244 1 884 . 1 1 85 85 PRO HG2 H 1 1.989 0.030 . 2 . . . . 85 PRO HG2 . 10244 1 885 . 1 1 85 85 PRO C C 13 177.204 0.300 . 1 . . . . 85 PRO C . 10244 1 886 . 1 1 85 85 PRO CA C 13 63.290 0.300 . 1 . . . . 85 PRO CA . 10244 1 887 . 1 1 85 85 PRO CB C 13 32.228 0.300 . 1 . . . . 85 PRO CB . 10244 1 888 . 1 1 85 85 PRO CD C 13 51.161 0.300 . 1 . . . . 85 PRO CD . 10244 1 889 . 1 1 85 85 PRO CG C 13 27.338 0.300 . 1 . . . . 85 PRO CG . 10244 1 890 . 1 1 86 86 SER H H 1 8.331 0.030 . 1 . . . . 86 SER H . 10244 1 891 . 1 1 86 86 SER HA H 1 4.339 0.030 . 1 . . . . 86 SER HA . 10244 1 892 . 1 1 86 86 SER C C 13 174.935 0.300 . 1 . . . . 86 SER C . 10244 1 893 . 1 1 86 86 SER CA C 13 61.769 0.300 . 1 . . . . 86 SER CA . 10244 1 894 . 1 1 86 86 SER CB C 13 69.836 0.300 . 1 . . . . 86 SER CB . 10244 1 895 . 1 1 86 86 SER N N 15 114.681 0.300 . 1 . . . . 86 SER N . 10244 1 896 . 1 1 87 87 SER H H 1 8.121 0.030 . 1 . . . . 87 SER H . 10244 1 897 . 1 1 87 87 SER CA C 13 61.963 0.300 . 1 . . . . 87 SER CA . 10244 1 898 . 1 1 87 87 SER CB C 13 69.818 0.300 . 1 . . . . 87 SER CB . 10244 1 899 . 1 1 87 87 SER N N 15 115.469 0.300 . 1 . . . . 87 SER N . 10244 1 stop_ save_