data_10098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10098 _Entry.Title ; Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-13 _Entry.Last_release_date 2008-08-15 _Entry.Original_release_date 2008-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 10098 2 T. Tomizawa . . . 10098 3 S. Koshiba . . . 10098 4 M. Inoue . . . 10098 5 T. Kigawa . . . 10098 6 S. Yokoyama . . . 10098 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 10098 '15N chemical shifts' 75 10098 '1H chemical shifts' 506 10098 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 . . 2008-08-15 2007-02-13 original author . 10098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1R79 'BMRB Entry Tracking System' 10098 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10098 _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 Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta' _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 K. Miyamoto . . . 10098 1 2 T. Tomizawa . . . 10098 1 3 S. Koshiba . . . 10098 1 4 M. Inoue . . . 10098 1 5 T. Kigawa . . . 10098 1 6 S. Yokoyama . . . 10098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10098 _Assembly.ID 1 _Assembly.Name 'Diacylglycerol kinase, delta' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'Diacylglycerol kinase, delta' 1 $entity_1 . . yes native no no . . . 10098 1 2 'ZINC (II) ION, 1' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 10098 1 3 'ZINC (II) ION, 2' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 10098 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 SING . 1 . 1 HIS 28 28 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10098 1 2 coordination SING . 1 . 1 CYS 59 59 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10098 1 3 coordination SING . 1 . 1 CYS 62 62 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10098 1 4 coordination SING . 1 . 1 CYS 78 78 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10098 1 5 coordination SING . 1 . 1 CYS 41 41 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10098 1 6 coordination SING . 1 . 1 CYS 44 44 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10098 1 7 coordination SING . 1 . 1 HIS 67 67 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10098 1 8 coordination SING . 1 . 1 CYS 70 70 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10098 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 67 67 HD1 . . . . 10098 1 . . 1 1 CYS 70 70 HG . . . . 10098 1 . . 1 1 CYS 41 41 HG . . . . 10098 1 . . 1 1 CYS 44 44 HG . . . . 10098 1 . . 1 1 CYS 62 62 HG . . . . 10098 1 . . 1 1 CYS 78 78 HG . . . . 10098 1 . . 1 1 HIS 28 28 HD1 . . . . 10098 1 . . 1 1 CYS 59 59 HG . . . . 10098 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 1R79 . . . . . . 10098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C1 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 ; GSSGSSGTTLASIGKDIIED ADGIAMPHQWLEGNLPVSAK CTVCDKTCGSVLRLQDWRCL WCKAMVHTSCKESLLTKCSG PSSG ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _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 1R79 . "Solution Structure Of The C1 Domain Of The Human Diacylglycerol Kinase Delta" . . . . . 100.00 84 100.00 100.00 1.06e-51 . . . . 10098 1 2 no DBJ BAA09766 . "KIAA0145 protein [Homo sapiens]" . . . . . 84.52 1198 100.00 100.00 1.50e-40 . . . . 10098 1 3 no DBJ BAA11134 . "diacylglycerol kinase delta [Homo sapiens]" . . . . . 84.52 1169 100.00 100.00 1.74e-40 . . . . 10098 1 4 no DBJ BAC11809 . "diacylglycerol kinase delta2 [Homo sapiens]" . . . . . 84.52 1214 100.00 100.00 1.41e-40 . . . . 10098 1 5 no DBJ BAE02082 . "unnamed protein product [Macaca fascicularis]" . . . . . 63.10 692 100.00 100.00 1.21e-28 . . . . 10098 1 6 no GB AAY24321 . "unknown [Homo sapiens]" . . . . . 84.52 1098 100.00 100.00 2.36e-40 . . . . 10098 1 7 no GB EAW71047 . "diacylglycerol kinase, delta 130kDa, isoform CRA_a, partial [Homo sapiens]" . . . . . 84.52 779 100.00 100.00 1.02e-40 . . . . 10098 1 8 no GB EAW71048 . "diacylglycerol kinase, delta 130kDa, isoform CRA_b [Homo sapiens]" . . . . . 84.52 1170 100.00 100.00 1.62e-40 . . . . 10098 1 9 no GB EAW71049 . "diacylglycerol kinase, delta 130kDa, isoform CRA_c [Homo sapiens]" . . . . . 84.52 1214 100.00 100.00 1.41e-40 . . . . 10098 1 10 no GB EAW71050 . "diacylglycerol kinase, delta 130kDa, isoform CRA_b [Homo sapiens]" . . . . . 84.52 1170 100.00 100.00 1.62e-40 . . . . 10098 1 11 no REF NP_003639 . "diacylglycerol kinase delta isoform 1 [Homo sapiens]" . . . . . 84.52 1170 100.00 100.00 1.62e-40 . . . . 10098 1 12 no REF NP_690618 . "diacylglycerol kinase delta isoform 2 [Homo sapiens]" . . . . . 84.52 1214 100.00 100.00 1.41e-40 . . . . 10098 1 13 no REF XP_001114920 . "PREDICTED: diacylglycerol kinase delta-like [Macaca mulatta]" . . . . . 84.52 1167 100.00 100.00 1.44e-40 . . . . 10098 1 14 no REF XP_001916296 . "PREDICTED: diacylglycerol kinase delta isoform X1 [Equus caballus]" . . . . . 84.52 1163 97.18 98.59 2.71e-39 . . . . 10098 1 15 no REF XP_002918009 . "PREDICTED: LOW QUALITY PROTEIN: diacylglycerol kinase delta [Ailuropoda melanoleuca]" . . . . . 84.52 1171 97.18 97.18 4.29e-39 . . . . 10098 1 16 no SP Q16760 . "RecName: Full=Diacylglycerol kinase delta; Short=DAG kinase delta; AltName: Full=130 kDa diacylglycerol kinase; AltName: Full=D" . . . . . 84.52 1214 100.00 100.00 1.41e-40 . . . . 10098 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C1 Domain' . 10098 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 . 10098 1 2 . SER . 10098 1 3 . SER . 10098 1 4 . GLY . 10098 1 5 . SER . 10098 1 6 . SER . 10098 1 7 . GLY . 10098 1 8 . THR . 10098 1 9 . THR . 10098 1 10 . LEU . 10098 1 11 . ALA . 10098 1 12 . SER . 10098 1 13 . ILE . 10098 1 14 . GLY . 10098 1 15 . LYS . 10098 1 16 . ASP . 10098 1 17 . ILE . 10098 1 18 . ILE . 10098 1 19 . GLU . 10098 1 20 . ASP . 10098 1 21 . ALA . 10098 1 22 . ASP . 10098 1 23 . GLY . 10098 1 24 . ILE . 10098 1 25 . ALA . 10098 1 26 . MET . 10098 1 27 . PRO . 10098 1 28 . HIS . 10098 1 29 . GLN . 10098 1 30 . TRP . 10098 1 31 . LEU . 10098 1 32 . GLU . 10098 1 33 . GLY . 10098 1 34 . ASN . 10098 1 35 . LEU . 10098 1 36 . PRO . 10098 1 37 . VAL . 10098 1 38 . SER . 10098 1 39 . ALA . 10098 1 40 . LYS . 10098 1 41 . CYS . 10098 1 42 . THR . 10098 1 43 . VAL . 10098 1 44 . CYS . 10098 1 45 . ASP . 10098 1 46 . LYS . 10098 1 47 . THR . 10098 1 48 . CYS . 10098 1 49 . GLY . 10098 1 50 . SER . 10098 1 51 . VAL . 10098 1 52 . LEU . 10098 1 53 . ARG . 10098 1 54 . LEU . 10098 1 55 . GLN . 10098 1 56 . ASP . 10098 1 57 . TRP . 10098 1 58 . ARG . 10098 1 59 . CYS . 10098 1 60 . LEU . 10098 1 61 . TRP . 10098 1 62 . CYS . 10098 1 63 . LYS . 10098 1 64 . ALA . 10098 1 65 . MET . 10098 1 66 . VAL . 10098 1 67 . HIS . 10098 1 68 . THR . 10098 1 69 . SER . 10098 1 70 . CYS . 10098 1 71 . LYS . 10098 1 72 . GLU . 10098 1 73 . SER . 10098 1 74 . LEU . 10098 1 75 . LEU . 10098 1 76 . THR . 10098 1 77 . LYS . 10098 1 78 . CYS . 10098 1 79 . SER . 10098 1 80 . GLY . 10098 1 81 . PRO . 10098 1 82 . SER . 10098 1 83 . SER . 10098 1 84 . GLY . 10098 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 10098 1 . SER 2 2 10098 1 . SER 3 3 10098 1 . GLY 4 4 10098 1 . SER 5 5 10098 1 . SER 6 6 10098 1 . GLY 7 7 10098 1 . THR 8 8 10098 1 . THR 9 9 10098 1 . LEU 10 10 10098 1 . ALA 11 11 10098 1 . SER 12 12 10098 1 . ILE 13 13 10098 1 . GLY 14 14 10098 1 . LYS 15 15 10098 1 . ASP 16 16 10098 1 . ILE 17 17 10098 1 . ILE 18 18 10098 1 . GLU 19 19 10098 1 . ASP 20 20 10098 1 . ALA 21 21 10098 1 . ASP 22 22 10098 1 . GLY 23 23 10098 1 . ILE 24 24 10098 1 . ALA 25 25 10098 1 . MET 26 26 10098 1 . PRO 27 27 10098 1 . HIS 28 28 10098 1 . GLN 29 29 10098 1 . TRP 30 30 10098 1 . LEU 31 31 10098 1 . GLU 32 32 10098 1 . GLY 33 33 10098 1 . ASN 34 34 10098 1 . LEU 35 35 10098 1 . PRO 36 36 10098 1 . VAL 37 37 10098 1 . SER 38 38 10098 1 . ALA 39 39 10098 1 . LYS 40 40 10098 1 . CYS 41 41 10098 1 . THR 42 42 10098 1 . VAL 43 43 10098 1 . CYS 44 44 10098 1 . ASP 45 45 10098 1 . LYS 46 46 10098 1 . THR 47 47 10098 1 . CYS 48 48 10098 1 . GLY 49 49 10098 1 . SER 50 50 10098 1 . VAL 51 51 10098 1 . LEU 52 52 10098 1 . ARG 53 53 10098 1 . LEU 54 54 10098 1 . GLN 55 55 10098 1 . ASP 56 56 10098 1 . TRP 57 57 10098 1 . ARG 58 58 10098 1 . CYS 59 59 10098 1 . LEU 60 60 10098 1 . TRP 61 61 10098 1 . CYS 62 62 10098 1 . LYS 63 63 10098 1 . ALA 64 64 10098 1 . MET 65 65 10098 1 . VAL 66 66 10098 1 . HIS 67 67 10098 1 . THR 68 68 10098 1 . SER 69 69 10098 1 . CYS 70 70 10098 1 . LYS 71 71 10098 1 . GLU 72 72 10098 1 . SER 73 73 10098 1 . LEU 74 74 10098 1 . LEU 75 75 10098 1 . THR 76 76 10098 1 . LYS 77 77 10098 1 . CYS 78 78 10098 1 . SER 79 79 10098 1 . GLY 80 80 10098 1 . PRO 81 81 10098 1 . SER 82 82 10098 1 . SER 83 83 10098 1 . GLY 84 84 10098 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10098 _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 10098 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 10098 _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 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10098 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 10098 _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 . . P030128-49 . . . . . . 10098 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 10098 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 15:39:22 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 10098 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 10098 ZN [Zn++] SMILES CACTVS 3.341 10098 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 10098 ZN [Zn+2] SMILES ACDLabs 10.04 10098 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 10098 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 10098 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 10098 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 10098 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 10098 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10098 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C1 Domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.05 . . mM . . . . 10098 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10098 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10098 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 10098 1 5 ZnCl2 . . . . . . . 100 . . uM . . . . 10098 1 6 H2O . . . . . . solvent 90 . . % . . . . 10098 1 7 D2O . . . . . . solvent 10 . . % . . . . 10098 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 10098 _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 10098 1 pH 7.5 0.05 pH 10098 1 pressure 1 0.001 atm 10098 1 temperature 298 0.1 K 10098 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10098 _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 . . 10098 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10098 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10098 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10098 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10098 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10098 _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.' . . 10098 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10098 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10098 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10098 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10098 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10098 _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 'Guntert, P' . . 10098 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10098 5 'structure solution' 10098 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 10098 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10098 _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 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10098 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10098 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10098 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10098 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10098 _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 . . . . . . . . . 10098 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10098 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10098 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 10098 _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 10098 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10098 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 9 9 THR HA H 1 4.433 0.030 . 1 . . . . 9 THR HA . 10098 1 2 . 1 1 9 9 THR HB H 1 4.233 0.030 . 1 . . . . 9 THR HB . 10098 1 3 . 1 1 9 9 THR HG21 H 1 1.210 0.030 . 1 . . . . 9 THR HG2 . 10098 1 4 . 1 1 9 9 THR HG22 H 1 1.210 0.030 . 1 . . . . 9 THR HG2 . 10098 1 5 . 1 1 9 9 THR HG23 H 1 1.210 0.030 . 1 . . . . 9 THR HG2 . 10098 1 6 . 1 1 9 9 THR C C 13 174.553 0.300 . 1 . . . . 9 THR C . 10098 1 7 . 1 1 9 9 THR CA C 13 61.895 0.300 . 1 . . . . 9 THR CA . 10098 1 8 . 1 1 9 9 THR CB C 13 69.805 0.300 . 1 . . . . 9 THR CB . 10098 1 9 . 1 1 9 9 THR CG2 C 13 21.683 0.300 . 1 . . . . 9 THR CG2 . 10098 1 10 . 1 1 10 10 LEU H H 1 8.313 0.030 . 1 . . . . 10 LEU H . 10098 1 11 . 1 1 10 10 LEU HA H 1 4.333 0.030 . 1 . . . . 10 LEU HA . 10098 1 12 . 1 1 10 10 LEU HB2 H 1 1.586 0.030 . 2 . . . . 10 LEU HB2 . 10098 1 13 . 1 1 10 10 LEU HB3 H 1 1.638 0.030 . 2 . . . . 10 LEU HB3 . 10098 1 14 . 1 1 10 10 LEU HG H 1 1.638 0.030 . 1 . . . . 10 LEU HG . 10098 1 15 . 1 1 10 10 LEU HD11 H 1 0.910 0.030 . 1 . . . . 10 LEU HD1 . 10098 1 16 . 1 1 10 10 LEU HD12 H 1 0.910 0.030 . 1 . . . . 10 LEU HD1 . 10098 1 17 . 1 1 10 10 LEU HD13 H 1 0.910 0.030 . 1 . . . . 10 LEU HD1 . 10098 1 18 . 1 1 10 10 LEU HD21 H 1 0.865 0.030 . 1 . . . . 10 LEU HD2 . 10098 1 19 . 1 1 10 10 LEU HD22 H 1 0.865 0.030 . 1 . . . . 10 LEU HD2 . 10098 1 20 . 1 1 10 10 LEU HD23 H 1 0.865 0.030 . 1 . . . . 10 LEU HD2 . 10098 1 21 . 1 1 10 10 LEU C C 13 177.209 0.300 . 1 . . . . 10 LEU C . 10098 1 22 . 1 1 10 10 LEU CA C 13 55.392 0.300 . 1 . . . . 10 LEU CA . 10098 1 23 . 1 1 10 10 LEU CB C 13 42.334 0.300 . 1 . . . . 10 LEU CB . 10098 1 24 . 1 1 10 10 LEU CG C 13 27.020 0.300 . 1 . . . . 10 LEU CG . 10098 1 25 . 1 1 10 10 LEU CD1 C 13 24.886 0.300 . 2 . . . . 10 LEU CD1 . 10098 1 26 . 1 1 10 10 LEU CD2 C 13 23.509 0.300 . 2 . . . . 10 LEU CD2 . 10098 1 27 . 1 1 10 10 LEU N N 15 125.057 0.300 . 1 . . . . 10 LEU N . 10098 1 28 . 1 1 11 11 ALA H H 1 8.272 0.030 . 1 . . . . 11 ALA H . 10098 1 29 . 1 1 11 11 ALA HA H 1 4.256 0.030 . 1 . . . . 11 ALA HA . 10098 1 30 . 1 1 11 11 ALA HB1 H 1 1.390 0.030 . 1 . . . . 11 ALA HB . 10098 1 31 . 1 1 11 11 ALA HB2 H 1 1.390 0.030 . 1 . . . . 11 ALA HB . 10098 1 32 . 1 1 11 11 ALA HB3 H 1 1.390 0.030 . 1 . . . . 11 ALA HB . 10098 1 33 . 1 1 11 11 ALA C C 13 177.775 0.300 . 1 . . . . 11 ALA C . 10098 1 34 . 1 1 11 11 ALA CA C 13 53.244 0.300 . 1 . . . . 11 ALA CA . 10098 1 35 . 1 1 11 11 ALA CB C 13 19.437 0.300 . 1 . . . . 11 ALA CB . 10098 1 36 . 1 1 11 11 ALA N N 15 124.603 0.300 . 1 . . . . 11 ALA N . 10098 1 37 . 1 1 12 12 SER H H 1 8.200 0.030 . 1 . . . . 12 SER H . 10098 1 38 . 1 1 12 12 SER HA H 1 4.464 0.030 . 1 . . . . 12 SER HA . 10098 1 39 . 1 1 12 12 SER HB2 H 1 3.857 0.030 . 1 . . . . 12 SER HB2 . 10098 1 40 . 1 1 12 12 SER HB3 H 1 3.857 0.030 . 1 . . . . 12 SER HB3 . 10098 1 41 . 1 1 12 12 SER C C 13 174.703 0.300 . 1 . . . . 12 SER C . 10098 1 42 . 1 1 12 12 SER CA C 13 58.212 0.300 . 1 . . . . 12 SER CA . 10098 1 43 . 1 1 12 12 SER CB C 13 63.586 0.300 . 1 . . . . 12 SER CB . 10098 1 44 . 1 1 12 12 SER N N 15 114.846 0.300 . 1 . . . . 12 SER N . 10098 1 45 . 1 1 13 13 ILE H H 1 8.059 0.030 . 1 . . . . 13 ILE H . 10098 1 46 . 1 1 13 13 ILE HA H 1 4.217 0.030 . 1 . . . . 13 ILE HA . 10098 1 47 . 1 1 13 13 ILE HB H 1 1.910 0.030 . 1 . . . . 13 ILE HB . 10098 1 48 . 1 1 13 13 ILE HG12 H 1 1.483 0.030 . 2 . . . . 13 ILE HG12 . 10098 1 49 . 1 1 13 13 ILE HG13 H 1 1.215 0.030 . 2 . . . . 13 ILE HG13 . 10098 1 50 . 1 1 13 13 ILE HG21 H 1 0.929 0.030 . 1 . . . . 13 ILE HG2 . 10098 1 51 . 1 1 13 13 ILE HG22 H 1 0.929 0.030 . 1 . . . . 13 ILE HG2 . 10098 1 52 . 1 1 13 13 ILE HG23 H 1 0.929 0.030 . 1 . . . . 13 ILE HG2 . 10098 1 53 . 1 1 13 13 ILE HD11 H 1 0.867 0.030 . 1 . . . . 13 ILE HD1 . 10098 1 54 . 1 1 13 13 ILE HD12 H 1 0.867 0.030 . 1 . . . . 13 ILE HD1 . 10098 1 55 . 1 1 13 13 ILE HD13 H 1 0.867 0.030 . 1 . . . . 13 ILE HD1 . 10098 1 56 . 1 1 13 13 ILE C C 13 176.739 0.300 . 1 . . . . 13 ILE C . 10098 1 57 . 1 1 13 13 ILE CA C 13 61.451 0.300 . 1 . . . . 13 ILE CA . 10098 1 58 . 1 1 13 13 ILE CB C 13 38.792 0.300 . 1 . . . . 13 ILE CB . 10098 1 59 . 1 1 13 13 ILE CG1 C 13 27.274 0.300 . 1 . . . . 13 ILE CG1 . 10098 1 60 . 1 1 13 13 ILE CG2 C 13 17.572 0.300 . 1 . . . . 13 ILE CG2 . 10098 1 61 . 1 1 13 13 ILE CD1 C 13 13.132 0.300 . 1 . . . . 13 ILE CD1 . 10098 1 62 . 1 1 13 13 ILE N N 15 122.115 0.300 . 1 . . . . 13 ILE N . 10098 1 63 . 1 1 14 14 GLY H H 1 8.447 0.030 . 1 . . . . 14 GLY H . 10098 1 64 . 1 1 14 14 GLY HA2 H 1 4.221 0.030 . 2 . . . . 14 GLY HA2 . 10098 1 65 . 1 1 14 14 GLY HA3 H 1 3.948 0.030 . 2 . . . . 14 GLY HA3 . 10098 1 66 . 1 1 14 14 GLY C C 13 173.967 0.300 . 1 . . . . 14 GLY C . 10098 1 67 . 1 1 14 14 GLY CA C 13 45.403 0.300 . 1 . . . . 14 GLY CA . 10098 1 68 . 1 1 14 14 GLY N N 15 112.601 0.300 . 1 . . . . 14 GLY N . 10098 1 69 . 1 1 15 15 LYS H H 1 8.105 0.030 . 1 . . . . 15 LYS H . 10098 1 70 . 1 1 15 15 LYS HA H 1 4.353 0.030 . 1 . . . . 15 LYS HA . 10098 1 71 . 1 1 15 15 LYS HB2 H 1 1.738 0.030 . 2 . . . . 15 LYS HB2 . 10098 1 72 . 1 1 15 15 LYS HB3 H 1 1.838 0.030 . 2 . . . . 15 LYS HB3 . 10098 1 73 . 1 1 15 15 LYS HG2 H 1 1.418 0.030 . 1 . . . . 15 LYS HG2 . 10098 1 74 . 1 1 15 15 LYS HG3 H 1 1.418 0.030 . 1 . . . . 15 LYS HG3 . 10098 1 75 . 1 1 15 15 LYS HD2 H 1 1.684 0.030 . 1 . . . . 15 LYS HD2 . 10098 1 76 . 1 1 15 15 LYS HD3 H 1 1.684 0.030 . 1 . . . . 15 LYS HD3 . 10098 1 77 . 1 1 15 15 LYS HE2 H 1 3.011 0.030 . 1 . . . . 15 LYS HE2 . 10098 1 78 . 1 1 15 15 LYS HE3 H 1 3.011 0.030 . 1 . . . . 15 LYS HE3 . 10098 1 79 . 1 1 15 15 LYS C C 13 176.106 0.300 . 1 . . . . 15 LYS C . 10098 1 80 . 1 1 15 15 LYS CA C 13 56.146 0.300 . 1 . . . . 15 LYS CA . 10098 1 81 . 1 1 15 15 LYS CB C 13 33.334 0.300 . 1 . . . . 15 LYS CB . 10098 1 82 . 1 1 15 15 LYS CG C 13 24.802 0.300 . 1 . . . . 15 LYS CG . 10098 1 83 . 1 1 15 15 LYS CD C 13 28.939 0.300 . 1 . . . . 15 LYS CD . 10098 1 84 . 1 1 15 15 LYS CE C 13 42.239 0.300 . 1 . . . . 15 LYS CE . 10098 1 85 . 1 1 15 15 LYS N N 15 120.622 0.300 . 1 . . . . 15 LYS N . 10098 1 86 . 1 1 16 16 ASP H H 1 8.411 0.030 . 1 . . . . 16 ASP H . 10098 1 87 . 1 1 16 16 ASP HA H 1 4.585 0.030 . 1 . . . . 16 ASP HA . 10098 1 88 . 1 1 16 16 ASP HB2 H 1 2.687 0.030 . 2 . . . . 16 ASP HB2 . 10098 1 89 . 1 1 16 16 ASP HB3 H 1 2.591 0.030 . 2 . . . . 16 ASP HB3 . 10098 1 90 . 1 1 16 16 ASP C C 13 175.855 0.300 . 1 . . . . 16 ASP C . 10098 1 91 . 1 1 16 16 ASP CA C 13 54.561 0.300 . 1 . . . . 16 ASP CA . 10098 1 92 . 1 1 16 16 ASP CB C 13 41.132 0.300 . 1 . . . . 16 ASP CB . 10098 1 93 . 1 1 16 16 ASP N N 15 121.127 0.300 . 1 . . . . 16 ASP N . 10098 1 94 . 1 1 17 17 ILE H H 1 7.999 0.030 . 1 . . . . 17 ILE H . 10098 1 95 . 1 1 17 17 ILE HA H 1 4.159 0.030 . 1 . . . . 17 ILE HA . 10098 1 96 . 1 1 17 17 ILE HB H 1 1.841 0.030 . 1 . . . . 17 ILE HB . 10098 1 97 . 1 1 17 17 ILE HG12 H 1 1.434 0.030 . 2 . . . . 17 ILE HG12 . 10098 1 98 . 1 1 17 17 ILE HG13 H 1 1.149 0.030 . 2 . . . . 17 ILE HG13 . 10098 1 99 . 1 1 17 17 ILE HG21 H 1 0.892 0.030 . 1 . . . . 17 ILE HG2 . 10098 1 100 . 1 1 17 17 ILE HG22 H 1 0.892 0.030 . 1 . . . . 17 ILE HG2 . 10098 1 101 . 1 1 17 17 ILE HG23 H 1 0.892 0.030 . 1 . . . . 17 ILE HG2 . 10098 1 102 . 1 1 17 17 ILE HD11 H 1 0.861 0.030 . 1 . . . . 17 ILE HD1 . 10098 1 103 . 1 1 17 17 ILE HD12 H 1 0.861 0.030 . 1 . . . . 17 ILE HD1 . 10098 1 104 . 1 1 17 17 ILE HD13 H 1 0.861 0.030 . 1 . . . . 17 ILE HD1 . 10098 1 105 . 1 1 17 17 ILE C C 13 175.967 0.300 . 1 . . . . 17 ILE C . 10098 1 106 . 1 1 17 17 ILE CA C 13 61.068 0.300 . 1 . . . . 17 ILE CA . 10098 1 107 . 1 1 17 17 ILE CB C 13 38.785 0.300 . 1 . . . . 17 ILE CB . 10098 1 108 . 1 1 17 17 ILE CG1 C 13 27.274 0.300 . 1 . . . . 17 ILE CG1 . 10098 1 109 . 1 1 17 17 ILE CG2 C 13 17.572 0.300 . 1 . . . . 17 ILE CG2 . 10098 1 110 . 1 1 17 17 ILE CD1 C 13 12.885 0.300 . 1 . . . . 17 ILE CD1 . 10098 1 111 . 1 1 17 17 ILE N N 15 120.709 0.300 . 1 . . . . 17 ILE N . 10098 1 112 . 1 1 18 18 ILE H H 1 8.225 0.030 . 1 . . . . 18 ILE H . 10098 1 113 . 1 1 18 18 ILE HA H 1 4.177 0.030 . 1 . . . . 18 ILE HA . 10098 1 114 . 1 1 18 18 ILE HB H 1 1.861 0.030 . 1 . . . . 18 ILE HB . 10098 1 115 . 1 1 18 18 ILE HG12 H 1 1.476 0.030 . 2 . . . . 18 ILE HG12 . 10098 1 116 . 1 1 18 18 ILE HG13 H 1 1.186 0.030 . 2 . . . . 18 ILE HG13 . 10098 1 117 . 1 1 18 18 ILE HG21 H 1 0.946 0.030 . 1 . . . . 18 ILE HG2 . 10098 1 118 . 1 1 18 18 ILE HG22 H 1 0.946 0.030 . 1 . . . . 18 ILE HG2 . 10098 1 119 . 1 1 18 18 ILE HG23 H 1 0.946 0.030 . 1 . . . . 18 ILE HG2 . 10098 1 120 . 1 1 18 18 ILE HD11 H 1 0.861 0.030 . 1 . . . . 18 ILE HD1 . 10098 1 121 . 1 1 18 18 ILE HD12 H 1 0.861 0.030 . 1 . . . . 18 ILE HD1 . 10098 1 122 . 1 1 18 18 ILE HD13 H 1 0.861 0.030 . 1 . . . . 18 ILE HD1 . 10098 1 123 . 1 1 18 18 ILE C C 13 176.084 0.300 . 1 . . . . 18 ILE C . 10098 1 124 . 1 1 18 18 ILE CA C 13 60.903 0.300 . 1 . . . . 18 ILE CA . 10098 1 125 . 1 1 18 18 ILE CB C 13 38.621 0.300 . 1 . . . . 18 ILE CB . 10098 1 126 . 1 1 18 18 ILE CG1 C 13 27.357 0.300 . 1 . . . . 18 ILE CG1 . 10098 1 127 . 1 1 18 18 ILE CG2 C 13 17.654 0.300 . 1 . . . . 18 ILE CG2 . 10098 1 128 . 1 1 18 18 ILE CD1 C 13 12.721 0.300 . 1 . . . . 18 ILE CD1 . 10098 1 129 . 1 1 18 18 ILE N N 15 125.581 0.300 . 1 . . . . 18 ILE N . 10098 1 130 . 1 1 19 19 GLU H H 1 8.493 0.030 . 1 . . . . 19 GLU H . 10098 1 131 . 1 1 19 19 GLU HA H 1 4.286 0.030 . 1 . . . . 19 GLU HA . 10098 1 132 . 1 1 19 19 GLU HB2 H 1 1.906 0.030 . 2 . . . . 19 GLU HB2 . 10098 1 133 . 1 1 19 19 GLU HB3 H 1 2.013 0.030 . 2 . . . . 19 GLU HB3 . 10098 1 134 . 1 1 19 19 GLU HG2 H 1 2.198 0.030 . 2 . . . . 19 GLU HG2 . 10098 1 135 . 1 1 19 19 GLU HG3 H 1 2.243 0.030 . 2 . . . . 19 GLU HG3 . 10098 1 136 . 1 1 19 19 GLU C C 13 176.030 0.300 . 1 . . . . 19 GLU C . 10098 1 137 . 1 1 19 19 GLU CA C 13 56.536 0.300 . 1 . . . . 19 GLU CA . 10098 1 138 . 1 1 19 19 GLU CB C 13 30.628 0.300 . 1 . . . . 19 GLU CB . 10098 1 139 . 1 1 19 19 GLU CG C 13 36.179 0.300 . 1 . . . . 19 GLU CG . 10098 1 140 . 1 1 19 19 GLU N N 15 125.713 0.300 . 1 . . . . 19 GLU N . 10098 1 141 . 1 1 20 20 ASP H H 1 8.366 0.030 . 1 . . . . 20 ASP H . 10098 1 142 . 1 1 20 20 ASP HA H 1 4.573 0.030 . 1 . . . . 20 ASP HA . 10098 1 143 . 1 1 20 20 ASP HB2 H 1 2.646 0.030 . 1 . . . . 20 ASP HB2 . 10098 1 144 . 1 1 20 20 ASP HB3 H 1 2.646 0.030 . 1 . . . . 20 ASP HB3 . 10098 1 145 . 1 1 20 20 ASP C C 13 176.256 0.300 . 1 . . . . 20 ASP C . 10098 1 146 . 1 1 20 20 ASP CA C 13 54.277 0.300 . 1 . . . . 20 ASP CA . 10098 1 147 . 1 1 20 20 ASP CB C 13 41.263 0.300 . 1 . . . . 20 ASP CB . 10098 1 148 . 1 1 20 20 ASP N N 15 121.989 0.300 . 1 . . . . 20 ASP N . 10098 1 149 . 1 1 21 21 ALA H H 1 8.309 0.030 . 1 . . . . 21 ALA H . 10098 1 150 . 1 1 21 21 ALA HA H 1 4.258 0.030 . 1 . . . . 21 ALA HA . 10098 1 151 . 1 1 21 21 ALA HB1 H 1 1.393 0.030 . 1 . . . . 21 ALA HB . 10098 1 152 . 1 1 21 21 ALA HB2 H 1 1.393 0.030 . 1 . . . . 21 ALA HB . 10098 1 153 . 1 1 21 21 ALA HB3 H 1 1.393 0.030 . 1 . . . . 21 ALA HB . 10098 1 154 . 1 1 21 21 ALA C C 13 177.847 0.300 . 1 . . . . 21 ALA C . 10098 1 155 . 1 1 21 21 ALA CA C 13 53.081 0.300 . 1 . . . . 21 ALA CA . 10098 1 156 . 1 1 21 21 ALA CB C 13 19.413 0.300 . 1 . . . . 21 ALA CB . 10098 1 157 . 1 1 21 21 ALA N N 15 124.821 0.300 . 1 . . . . 21 ALA N . 10098 1 158 . 1 1 22 22 ASP H H 1 8.302 0.030 . 1 . . . . 22 ASP H . 10098 1 159 . 1 1 22 22 ASP HA H 1 4.599 0.030 . 1 . . . . 22 ASP HA . 10098 1 160 . 1 1 22 22 ASP HB2 H 1 2.682 0.030 . 1 . . . . 22 ASP HB2 . 10098 1 161 . 1 1 22 22 ASP HB3 H 1 2.682 0.030 . 1 . . . . 22 ASP HB3 . 10098 1 162 . 1 1 22 22 ASP C C 13 176.873 0.300 . 1 . . . . 22 ASP C . 10098 1 163 . 1 1 22 22 ASP CA C 13 54.734 0.300 . 1 . . . . 22 ASP CA . 10098 1 164 . 1 1 22 22 ASP CB C 13 41.249 0.300 . 1 . . . . 22 ASP CB . 10098 1 165 . 1 1 22 22 ASP N N 15 118.660 0.300 . 1 . . . . 22 ASP N . 10098 1 166 . 1 1 23 23 GLY H H 1 8.119 0.030 . 1 . . . . 23 GLY H . 10098 1 167 . 1 1 23 23 GLY HA2 H 1 3.913 0.030 . 1 . . . . 23 GLY HA2 . 10098 1 168 . 1 1 23 23 GLY HA3 H 1 3.913 0.030 . 1 . . . . 23 GLY HA3 . 10098 1 169 . 1 1 23 23 GLY C C 13 174.052 0.300 . 1 . . . . 23 GLY C . 10098 1 170 . 1 1 23 23 GLY CA C 13 45.537 0.300 . 1 . . . . 23 GLY CA . 10098 1 171 . 1 1 23 23 GLY N N 15 108.740 0.300 . 1 . . . . 23 GLY N . 10098 1 172 . 1 1 24 24 ILE H H 1 7.914 0.030 . 1 . . . . 24 ILE H . 10098 1 173 . 1 1 24 24 ILE HA H 1 4.109 0.030 . 1 . . . . 24 ILE HA . 10098 1 174 . 1 1 24 24 ILE HB H 1 1.846 0.030 . 1 . . . . 24 ILE HB . 10098 1 175 . 1 1 24 24 ILE HG12 H 1 1.423 0.030 . 2 . . . . 24 ILE HG12 . 10098 1 176 . 1 1 24 24 ILE HG13 H 1 1.127 0.030 . 2 . . . . 24 ILE HG13 . 10098 1 177 . 1 1 24 24 ILE HG21 H 1 0.864 0.030 . 1 . . . . 24 ILE HG2 . 10098 1 178 . 1 1 24 24 ILE HG22 H 1 0.864 0.030 . 1 . . . . 24 ILE HG2 . 10098 1 179 . 1 1 24 24 ILE HG23 H 1 0.864 0.030 . 1 . . . . 24 ILE HG2 . 10098 1 180 . 1 1 24 24 ILE HD11 H 1 0.835 0.030 . 1 . . . . 24 ILE HD1 . 10098 1 181 . 1 1 24 24 ILE HD12 H 1 0.835 0.030 . 1 . . . . 24 ILE HD1 . 10098 1 182 . 1 1 24 24 ILE HD13 H 1 0.835 0.030 . 1 . . . . 24 ILE HD1 . 10098 1 183 . 1 1 24 24 ILE C C 13 175.778 0.300 . 1 . . . . 24 ILE C . 10098 1 184 . 1 1 24 24 ILE CA C 13 61.001 0.300 . 1 . . . . 24 ILE CA . 10098 1 185 . 1 1 24 24 ILE CB C 13 38.703 0.300 . 1 . . . . 24 ILE CB . 10098 1 186 . 1 1 24 24 ILE CG1 C 13 27.274 0.300 . 1 . . . . 24 ILE CG1 . 10098 1 187 . 1 1 24 24 ILE CG2 C 13 17.490 0.300 . 1 . . . . 24 ILE CG2 . 10098 1 188 . 1 1 24 24 ILE CD1 C 13 12.885 0.300 . 1 . . . . 24 ILE CD1 . 10098 1 189 . 1 1 24 24 ILE N N 15 120.097 0.300 . 1 . . . . 24 ILE N . 10098 1 190 . 1 1 25 25 ALA H H 1 8.314 0.030 . 1 . . . . 25 ALA H . 10098 1 191 . 1 1 25 25 ALA HA H 1 4.314 0.030 . 1 . . . . 25 ALA HA . 10098 1 192 . 1 1 25 25 ALA HB1 H 1 1.314 0.030 . 1 . . . . 25 ALA HB . 10098 1 193 . 1 1 25 25 ALA HB2 H 1 1.314 0.030 . 1 . . . . 25 ALA HB . 10098 1 194 . 1 1 25 25 ALA HB3 H 1 1.314 0.030 . 1 . . . . 25 ALA HB . 10098 1 195 . 1 1 25 25 ALA C C 13 176.787 0.300 . 1 . . . . 25 ALA C . 10098 1 196 . 1 1 25 25 ALA CA C 13 52.126 0.300 . 1 . . . . 25 ALA CA . 10098 1 197 . 1 1 25 25 ALA CB C 13 19.663 0.300 . 1 . . . . 25 ALA CB . 10098 1 198 . 1 1 25 25 ALA N N 15 128.312 0.300 . 1 . . . . 25 ALA N . 10098 1 199 . 1 1 26 26 MET H H 1 8.386 0.030 . 1 . . . . 26 MET H . 10098 1 200 . 1 1 26 26 MET HA H 1 4.800 0.030 . 1 . . . . 26 MET HA . 10098 1 201 . 1 1 26 26 MET HB2 H 1 2.057 0.030 . 2 . . . . 26 MET HB2 . 10098 1 202 . 1 1 26 26 MET HB3 H 1 1.839 0.030 . 2 . . . . 26 MET HB3 . 10098 1 203 . 1 1 26 26 MET HG2 H 1 2.443 0.030 . 1 . . . . 26 MET HG2 . 10098 1 204 . 1 1 26 26 MET HG3 H 1 2.443 0.030 . 1 . . . . 26 MET HG3 . 10098 1 205 . 1 1 26 26 MET HE1 H 1 1.928 0.030 . 1 . . . . 26 MET HE . 10098 1 206 . 1 1 26 26 MET HE2 H 1 1.928 0.030 . 1 . . . . 26 MET HE . 10098 1 207 . 1 1 26 26 MET HE3 H 1 1.928 0.030 . 1 . . . . 26 MET HE . 10098 1 208 . 1 1 26 26 MET C C 13 172.799 0.300 . 1 . . . . 26 MET C . 10098 1 209 . 1 1 26 26 MET CA C 13 53.046 0.300 . 1 . . . . 26 MET CA . 10098 1 210 . 1 1 26 26 MET CB C 13 32.970 0.300 . 1 . . . . 26 MET CB . 10098 1 211 . 1 1 26 26 MET CG C 13 31.929 0.300 . 1 . . . . 26 MET CG . 10098 1 212 . 1 1 26 26 MET CE C 13 17.016 0.300 . 1 . . . . 26 MET CE . 10098 1 213 . 1 1 26 26 MET N N 15 121.696 0.300 . 1 . . . . 26 MET N . 10098 1 214 . 1 1 27 27 PRO HA H 1 4.557 0.030 . 1 . . . . 27 PRO HA . 10098 1 215 . 1 1 27 27 PRO HB2 H 1 2.300 0.030 . 2 . . . . 27 PRO HB2 . 10098 1 216 . 1 1 27 27 PRO HB3 H 1 2.041 0.030 . 2 . . . . 27 PRO HB3 . 10098 1 217 . 1 1 27 27 PRO HG2 H 1 2.020 0.030 . 1 . . . . 27 PRO HG2 . 10098 1 218 . 1 1 27 27 PRO HG3 H 1 2.020 0.030 . 1 . . . . 27 PRO HG3 . 10098 1 219 . 1 1 27 27 PRO HD2 H 1 3.720 0.030 . 1 . . . . 27 PRO HD2 . 10098 1 220 . 1 1 27 27 PRO HD3 H 1 3.720 0.030 . 1 . . . . 27 PRO HD3 . 10098 1 221 . 1 1 27 27 PRO C C 13 176.874 0.300 . 1 . . . . 27 PRO C . 10098 1 222 . 1 1 27 27 PRO CA C 13 62.233 0.300 . 1 . . . . 27 PRO CA . 10098 1 223 . 1 1 27 27 PRO CB C 13 32.297 0.300 . 1 . . . . 27 PRO CB . 10098 1 224 . 1 1 27 27 PRO CG C 13 27.110 0.300 . 1 . . . . 27 PRO CG . 10098 1 225 . 1 1 27 27 PRO CD C 13 50.564 0.300 . 1 . . . . 27 PRO CD . 10098 1 226 . 1 1 28 28 HIS H H 1 7.835 0.030 . 1 . . . . 28 HIS H . 10098 1 227 . 1 1 28 28 HIS HA H 1 4.634 0.030 . 1 . . . . 28 HIS HA . 10098 1 228 . 1 1 28 28 HIS HB2 H 1 1.829 0.030 . 1 . . . . 28 HIS HB2 . 10098 1 229 . 1 1 28 28 HIS HB3 H 1 1.829 0.030 . 1 . . . . 28 HIS HB3 . 10098 1 230 . 1 1 28 28 HIS HD2 H 1 7.400 0.030 . 1 . . . . 28 HIS HD2 . 10098 1 231 . 1 1 28 28 HIS HE1 H 1 7.792 0.030 . 1 . . . . 28 HIS HE1 . 10098 1 232 . 1 1 28 28 HIS C C 13 174.603 0.300 . 1 . . . . 28 HIS C . 10098 1 233 . 1 1 28 28 HIS CA C 13 56.372 0.300 . 1 . . . . 28 HIS CA . 10098 1 234 . 1 1 28 28 HIS CB C 13 29.543 0.300 . 1 . . . . 28 HIS CB . 10098 1 235 . 1 1 28 28 HIS CD2 C 13 120.452 0.300 . 1 . . . . 28 HIS CD2 . 10098 1 236 . 1 1 28 28 HIS CE1 C 13 139.778 0.300 . 1 . . . . 28 HIS CE1 . 10098 1 237 . 1 1 28 28 HIS N N 15 117.546 0.300 . 1 . . . . 28 HIS N . 10098 1 238 . 1 1 29 29 GLN H H 1 8.243 0.030 . 1 . . . . 29 GLN H . 10098 1 239 . 1 1 29 29 GLN HA H 1 4.387 0.030 . 1 . . . . 29 GLN HA . 10098 1 240 . 1 1 29 29 GLN HB2 H 1 1.080 0.030 . 2 . . . . 29 GLN HB2 . 10098 1 241 . 1 1 29 29 GLN HB3 H 1 1.330 0.030 . 2 . . . . 29 GLN HB3 . 10098 1 242 . 1 1 29 29 GLN HG2 H 1 1.749 0.030 . 1 . . . . 29 GLN HG2 . 10098 1 243 . 1 1 29 29 GLN HG3 H 1 1.749 0.030 . 1 . . . . 29 GLN HG3 . 10098 1 244 . 1 1 29 29 GLN HE21 H 1 6.832 0.030 . 2 . . . . 29 GLN HE21 . 10098 1 245 . 1 1 29 29 GLN HE22 H 1 6.907 0.030 . 2 . . . . 29 GLN HE22 . 10098 1 246 . 1 1 29 29 GLN C C 13 173.772 0.300 . 1 . . . . 29 GLN C . 10098 1 247 . 1 1 29 29 GLN CA C 13 53.369 0.300 . 1 . . . . 29 GLN CA . 10098 1 248 . 1 1 29 29 GLN CB C 13 28.639 0.300 . 1 . . . . 29 GLN CB . 10098 1 249 . 1 1 29 29 GLN CG C 13 33.335 0.300 . 1 . . . . 29 GLN CG . 10098 1 250 . 1 1 29 29 GLN N N 15 125.480 0.300 . 1 . . . . 29 GLN N . 10098 1 251 . 1 1 29 29 GLN NE2 N 15 112.086 0.300 . 1 . . . . 29 GLN NE2 . 10098 1 252 . 1 1 30 30 TRP H H 1 7.891 0.030 . 1 . . . . 30 TRP H . 10098 1 253 . 1 1 30 30 TRP HA H 1 5.078 0.030 . 1 . . . . 30 TRP HA . 10098 1 254 . 1 1 30 30 TRP HB2 H 1 3.054 0.030 . 2 . . . . 30 TRP HB2 . 10098 1 255 . 1 1 30 30 TRP HB3 H 1 3.381 0.030 . 2 . . . . 30 TRP HB3 . 10098 1 256 . 1 1 30 30 TRP HD1 H 1 7.143 0.030 . 1 . . . . 30 TRP HD1 . 10098 1 257 . 1 1 30 30 TRP HE1 H 1 10.226 0.030 . 1 . . . . 30 TRP HE1 . 10098 1 258 . 1 1 30 30 TRP HE3 H 1 7.294 0.030 . 1 . . . . 30 TRP HE3 . 10098 1 259 . 1 1 30 30 TRP HZ2 H 1 6.961 0.030 . 1 . . . . 30 TRP HZ2 . 10098 1 260 . 1 1 30 30 TRP HZ3 H 1 6.682 0.030 . 1 . . . . 30 TRP HZ3 . 10098 1 261 . 1 1 30 30 TRP HH2 H 1 6.327 0.030 . 1 . . . . 30 TRP HH2 . 10098 1 262 . 1 1 30 30 TRP C C 13 176.890 0.300 . 1 . . . . 30 TRP C . 10098 1 263 . 1 1 30 30 TRP CA C 13 57.073 0.300 . 1 . . . . 30 TRP CA . 10098 1 264 . 1 1 30 30 TRP CB C 13 31.739 0.300 . 1 . . . . 30 TRP CB . 10098 1 265 . 1 1 30 30 TRP CD1 C 13 127.479 0.300 . 1 . . . . 30 TRP CD1 . 10098 1 266 . 1 1 30 30 TRP CE3 C 13 119.723 0.300 . 1 . . . . 30 TRP CE3 . 10098 1 267 . 1 1 30 30 TRP CZ2 C 13 114.355 0.300 . 1 . . . . 30 TRP CZ2 . 10098 1 268 . 1 1 30 30 TRP CZ3 C 13 122.136 0.300 . 1 . . . . 30 TRP CZ3 . 10098 1 269 . 1 1 30 30 TRP CH2 C 13 123.677 0.300 . 1 . . . . 30 TRP CH2 . 10098 1 270 . 1 1 30 30 TRP N N 15 123.666 0.300 . 1 . . . . 30 TRP N . 10098 1 271 . 1 1 30 30 TRP NE1 N 15 128.889 0.300 . 1 . . . . 30 TRP NE1 . 10098 1 272 . 1 1 31 31 LEU H H 1 9.873 0.030 . 1 . . . . 31 LEU H . 10098 1 273 . 1 1 31 31 LEU HA H 1 4.913 0.030 . 1 . . . . 31 LEU HA . 10098 1 274 . 1 1 31 31 LEU HB2 H 1 1.702 0.030 . 2 . . . . 31 LEU HB2 . 10098 1 275 . 1 1 31 31 LEU HB3 H 1 1.655 0.030 . 2 . . . . 31 LEU HB3 . 10098 1 276 . 1 1 31 31 LEU HG H 1 1.727 0.030 . 1 . . . . 31 LEU HG . 10098 1 277 . 1 1 31 31 LEU HD11 H 1 0.965 0.030 . 1 . . . . 31 LEU HD1 . 10098 1 278 . 1 1 31 31 LEU HD12 H 1 0.965 0.030 . 1 . . . . 31 LEU HD1 . 10098 1 279 . 1 1 31 31 LEU HD13 H 1 0.965 0.030 . 1 . . . . 31 LEU HD1 . 10098 1 280 . 1 1 31 31 LEU HD21 H 1 0.956 0.030 . 1 . . . . 31 LEU HD2 . 10098 1 281 . 1 1 31 31 LEU HD22 H 1 0.956 0.030 . 1 . . . . 31 LEU HD2 . 10098 1 282 . 1 1 31 31 LEU HD23 H 1 0.956 0.030 . 1 . . . . 31 LEU HD2 . 10098 1 283 . 1 1 31 31 LEU C C 13 175.403 0.300 . 1 . . . . 31 LEU C . 10098 1 284 . 1 1 31 31 LEU CA C 13 54.216 0.300 . 1 . . . . 31 LEU CA . 10098 1 285 . 1 1 31 31 LEU CB C 13 45.370 0.300 . 1 . . . . 31 LEU CB . 10098 1 286 . 1 1 31 31 LEU CG C 13 27.129 0.300 . 1 . . . . 31 LEU CG . 10098 1 287 . 1 1 31 31 LEU CD1 C 13 24.285 0.300 . 2 . . . . 31 LEU CD1 . 10098 1 288 . 1 1 31 31 LEU CD2 C 13 25.578 0.300 . 2 . . . . 31 LEU CD2 . 10098 1 289 . 1 1 31 31 LEU N N 15 125.672 0.300 . 1 . . . . 31 LEU N . 10098 1 290 . 1 1 32 32 GLU H H 1 8.593 0.030 . 1 . . . . 32 GLU H . 10098 1 291 . 1 1 32 32 GLU HA H 1 3.789 0.030 . 1 . . . . 32 GLU HA . 10098 1 292 . 1 1 32 32 GLU HB2 H 1 0.695 0.030 . 2 . . . . 32 GLU HB2 . 10098 1 293 . 1 1 32 32 GLU HB3 H 1 1.349 0.030 . 2 . . . . 32 GLU HB3 . 10098 1 294 . 1 1 32 32 GLU HG2 H 1 0.747 0.030 . 2 . . . . 32 GLU HG2 . 10098 1 295 . 1 1 32 32 GLU HG3 H 1 1.285 0.030 . 2 . . . . 32 GLU HG3 . 10098 1 296 . 1 1 32 32 GLU C C 13 177.876 0.300 . 1 . . . . 32 GLU C . 10098 1 297 . 1 1 32 32 GLU CA C 13 55.504 0.300 . 1 . . . . 32 GLU CA . 10098 1 298 . 1 1 32 32 GLU CB C 13 30.451 0.300 . 1 . . . . 32 GLU CB . 10098 1 299 . 1 1 32 32 GLU CG C 13 35.857 0.300 . 1 . . . . 32 GLU CG . 10098 1 300 . 1 1 32 32 GLU N N 15 126.490 0.300 . 1 . . . . 32 GLU N . 10098 1 301 . 1 1 33 33 GLY H H 1 8.395 0.030 . 1 . . . . 33 GLY H . 10098 1 302 . 1 1 33 33 GLY HA2 H 1 3.686 0.030 . 2 . . . . 33 GLY HA2 . 10098 1 303 . 1 1 33 33 GLY HA3 H 1 3.822 0.030 . 2 . . . . 33 GLY HA3 . 10098 1 304 . 1 1 33 33 GLY C C 13 171.712 0.300 . 1 . . . . 33 GLY C . 10098 1 305 . 1 1 33 33 GLY CA C 13 44.938 0.300 . 1 . . . . 33 GLY CA . 10098 1 306 . 1 1 33 33 GLY N N 15 112.023 0.300 . 1 . . . . 33 GLY N . 10098 1 307 . 1 1 34 34 ASN H H 1 8.370 0.030 . 1 . . . . 34 ASN H . 10098 1 308 . 1 1 34 34 ASN HA H 1 4.391 0.030 . 1 . . . . 34 ASN HA . 10098 1 309 . 1 1 34 34 ASN HB2 H 1 2.815 0.030 . 2 . . . . 34 ASN HB2 . 10098 1 310 . 1 1 34 34 ASN HB3 H 1 2.733 0.030 . 2 . . . . 34 ASN HB3 . 10098 1 311 . 1 1 34 34 ASN HD21 H 1 6.856 0.030 . 2 . . . . 34 ASN HD21 . 10098 1 312 . 1 1 34 34 ASN HD22 H 1 7.584 0.030 . 2 . . . . 34 ASN HD22 . 10098 1 313 . 1 1 34 34 ASN C C 13 174.522 0.300 . 1 . . . . 34 ASN C . 10098 1 314 . 1 1 34 34 ASN CA C 13 54.206 0.300 . 1 . . . . 34 ASN CA . 10098 1 315 . 1 1 34 34 ASN CB C 13 37.826 0.300 . 1 . . . . 34 ASN CB . 10098 1 316 . 1 1 34 34 ASN N N 15 113.341 0.300 . 1 . . . . 34 ASN N . 10098 1 317 . 1 1 34 34 ASN ND2 N 15 113.767 0.300 . 1 . . . . 34 ASN ND2 . 10098 1 318 . 1 1 35 35 LEU H H 1 8.260 0.030 . 1 . . . . 35 LEU H . 10098 1 319 . 1 1 35 35 LEU HA H 1 4.314 0.030 . 1 . . . . 35 LEU HA . 10098 1 320 . 1 1 35 35 LEU HB2 H 1 1.536 0.030 . 2 . . . . 35 LEU HB2 . 10098 1 321 . 1 1 35 35 LEU HB3 H 1 1.584 0.030 . 2 . . . . 35 LEU HB3 . 10098 1 322 . 1 1 35 35 LEU HG H 1 1.577 0.030 . 1 . . . . 35 LEU HG . 10098 1 323 . 1 1 35 35 LEU HD11 H 1 0.780 0.030 . 1 . . . . 35 LEU HD1 . 10098 1 324 . 1 1 35 35 LEU HD12 H 1 0.780 0.030 . 1 . . . . 35 LEU HD1 . 10098 1 325 . 1 1 35 35 LEU HD13 H 1 0.780 0.030 . 1 . . . . 35 LEU HD1 . 10098 1 326 . 1 1 35 35 LEU HD21 H 1 0.736 0.030 . 1 . . . . 35 LEU HD2 . 10098 1 327 . 1 1 35 35 LEU HD22 H 1 0.736 0.030 . 1 . . . . 35 LEU HD2 . 10098 1 328 . 1 1 35 35 LEU HD23 H 1 0.736 0.030 . 1 . . . . 35 LEU HD2 . 10098 1 329 . 1 1 35 35 LEU C C 13 174.968 0.300 . 1 . . . . 35 LEU C . 10098 1 330 . 1 1 35 35 LEU CA C 13 54.806 0.300 . 1 . . . . 35 LEU CA . 10098 1 331 . 1 1 35 35 LEU CB C 13 40.717 0.300 . 1 . . . . 35 LEU CB . 10098 1 332 . 1 1 35 35 LEU CG C 13 30.711 0.300 . 1 . . . . 35 LEU CG . 10098 1 333 . 1 1 35 35 LEU CD1 C 13 26.267 0.300 . 2 . . . . 35 LEU CD1 . 10098 1 334 . 1 1 35 35 LEU CD2 C 13 24.627 0.300 . 2 . . . . 35 LEU CD2 . 10098 1 335 . 1 1 35 35 LEU N N 15 121.545 0.300 . 1 . . . . 35 LEU N . 10098 1 336 . 1 1 36 36 PRO HA H 1 4.508 0.030 . 1 . . . . 36 PRO HA . 10098 1 337 . 1 1 36 36 PRO HB2 H 1 2.304 0.030 . 2 . . . . 36 PRO HB2 . 10098 1 338 . 1 1 36 36 PRO HB3 H 1 1.918 0.030 . 2 . . . . 36 PRO HB3 . 10098 1 339 . 1 1 36 36 PRO HG2 H 1 1.952 0.030 . 2 . . . . 36 PRO HG2 . 10098 1 340 . 1 1 36 36 PRO HG3 H 1 2.037 0.030 . 2 . . . . 36 PRO HG3 . 10098 1 341 . 1 1 36 36 PRO HD2 H 1 3.606 0.030 . 2 . . . . 36 PRO HD2 . 10098 1 342 . 1 1 36 36 PRO HD3 H 1 3.694 0.030 . 2 . . . . 36 PRO HD3 . 10098 1 343 . 1 1 36 36 PRO C C 13 176.989 0.300 . 1 . . . . 36 PRO C . 10098 1 344 . 1 1 36 36 PRO CA C 13 62.486 0.300 . 1 . . . . 36 PRO CA . 10098 1 345 . 1 1 36 36 PRO CB C 13 32.208 0.300 . 1 . . . . 36 PRO CB . 10098 1 346 . 1 1 36 36 PRO CG C 13 27.439 0.300 . 1 . . . . 36 PRO CG . 10098 1 347 . 1 1 36 36 PRO CD C 13 50.218 0.300 . 1 . . . . 36 PRO CD . 10098 1 348 . 1 1 37 37 VAL H H 1 8.243 0.030 . 1 . . . . 37 VAL H . 10098 1 349 . 1 1 37 37 VAL HA H 1 3.907 0.030 . 1 . . . . 37 VAL HA . 10098 1 350 . 1 1 37 37 VAL HB H 1 2.074 0.030 . 1 . . . . 37 VAL HB . 10098 1 351 . 1 1 37 37 VAL HG11 H 1 1.001 0.030 . 1 . . . . 37 VAL HG1 . 10098 1 352 . 1 1 37 37 VAL HG12 H 1 1.001 0.030 . 1 . . . . 37 VAL HG1 . 10098 1 353 . 1 1 37 37 VAL HG13 H 1 1.001 0.030 . 1 . . . . 37 VAL HG1 . 10098 1 354 . 1 1 37 37 VAL HG21 H 1 1.001 0.030 . 1 . . . . 37 VAL HG2 . 10098 1 355 . 1 1 37 37 VAL HG22 H 1 1.001 0.030 . 1 . . . . 37 VAL HG2 . 10098 1 356 . 1 1 37 37 VAL HG23 H 1 1.001 0.030 . 1 . . . . 37 VAL HG2 . 10098 1 357 . 1 1 37 37 VAL C C 13 176.412 0.300 . 1 . . . . 37 VAL C . 10098 1 358 . 1 1 37 37 VAL CA C 13 63.895 0.300 . 1 . . . . 37 VAL CA . 10098 1 359 . 1 1 37 37 VAL CB C 13 32.118 0.300 . 1 . . . . 37 VAL CB . 10098 1 360 . 1 1 37 37 VAL CG1 C 13 20.924 0.300 . 1 . . . . 37 VAL CG1 . 10098 1 361 . 1 1 37 37 VAL CG2 C 13 20.924 0.300 . 1 . . . . 37 VAL CG2 . 10098 1 362 . 1 1 37 37 VAL N N 15 119.207 0.300 . 1 . . . . 37 VAL N . 10098 1 363 . 1 1 38 38 SER H H 1 8.050 0.030 . 1 . . . . 38 SER H . 10098 1 364 . 1 1 38 38 SER HA H 1 4.259 0.030 . 1 . . . . 38 SER HA . 10098 1 365 . 1 1 38 38 SER HB2 H 1 3.902 0.030 . 2 . . . . 38 SER HB2 . 10098 1 366 . 1 1 38 38 SER HB3 H 1 4.021 0.030 . 2 . . . . 38 SER HB3 . 10098 1 367 . 1 1 38 38 SER C C 13 173.929 0.300 . 1 . . . . 38 SER C . 10098 1 368 . 1 1 38 38 SER CA C 13 58.145 0.300 . 1 . . . . 38 SER CA . 10098 1 369 . 1 1 38 38 SER CB C 13 62.790 0.300 . 1 . . . . 38 SER CB . 10098 1 370 . 1 1 38 38 SER N N 15 114.250 0.300 . 1 . . . . 38 SER N . 10098 1 371 . 1 1 39 39 ALA H H 1 7.602 0.030 . 1 . . . . 39 ALA H . 10098 1 372 . 1 1 39 39 ALA HA H 1 4.136 0.030 . 1 . . . . 39 ALA HA . 10098 1 373 . 1 1 39 39 ALA HB1 H 1 1.402 0.030 . 1 . . . . 39 ALA HB . 10098 1 374 . 1 1 39 39 ALA HB2 H 1 1.402 0.030 . 1 . . . . 39 ALA HB . 10098 1 375 . 1 1 39 39 ALA HB3 H 1 1.402 0.030 . 1 . . . . 39 ALA HB . 10098 1 376 . 1 1 39 39 ALA C C 13 176.582 0.300 . 1 . . . . 39 ALA C . 10098 1 377 . 1 1 39 39 ALA CA C 13 53.023 0.300 . 1 . . . . 39 ALA CA . 10098 1 378 . 1 1 39 39 ALA CB C 13 21.579 0.300 . 1 . . . . 39 ALA CB . 10098 1 379 . 1 1 39 39 ALA N N 15 124.582 0.300 . 1 . . . . 39 ALA N . 10098 1 380 . 1 1 40 40 LYS H H 1 8.029 0.030 . 1 . . . . 40 LYS H . 10098 1 381 . 1 1 40 40 LYS HA H 1 4.444 0.030 . 1 . . . . 40 LYS HA . 10098 1 382 . 1 1 40 40 LYS HB2 H 1 1.403 0.030 . 2 . . . . 40 LYS HB2 . 10098 1 383 . 1 1 40 40 LYS HB3 H 1 1.588 0.030 . 2 . . . . 40 LYS HB3 . 10098 1 384 . 1 1 40 40 LYS HG2 H 1 1.179 0.030 . 2 . . . . 40 LYS HG2 . 10098 1 385 . 1 1 40 40 LYS HG3 H 1 1.380 0.030 . 2 . . . . 40 LYS HG3 . 10098 1 386 . 1 1 40 40 LYS HD2 H 1 1.514 0.030 . 2 . . . . 40 LYS HD2 . 10098 1 387 . 1 1 40 40 LYS HD3 H 1 1.613 0.030 . 2 . . . . 40 LYS HD3 . 10098 1 388 . 1 1 40 40 LYS HE2 H 1 2.934 0.030 . 1 . . . . 40 LYS HE2 . 10098 1 389 . 1 1 40 40 LYS HE3 H 1 2.934 0.030 . 1 . . . . 40 LYS HE3 . 10098 1 390 . 1 1 40 40 LYS C C 13 174.871 0.300 . 1 . . . . 40 LYS C . 10098 1 391 . 1 1 40 40 LYS CA C 13 54.427 0.300 . 1 . . . . 40 LYS CA . 10098 1 392 . 1 1 40 40 LYS CB C 13 35.225 0.300 . 1 . . . . 40 LYS CB . 10098 1 393 . 1 1 40 40 LYS CG C 13 24.725 0.300 . 1 . . . . 40 LYS CG . 10098 1 394 . 1 1 40 40 LYS CD C 13 28.850 0.300 . 1 . . . . 40 LYS CD . 10098 1 395 . 1 1 40 40 LYS CE C 13 42.027 0.300 . 1 . . . . 40 LYS CE . 10098 1 396 . 1 1 40 40 LYS N N 15 119.947 0.300 . 1 . . . . 40 LYS N . 10098 1 397 . 1 1 41 41 CYS H H 1 8.327 0.030 . 1 . . . . 41 CYS H . 10098 1 398 . 1 1 41 41 CYS HA H 1 4.358 0.030 . 1 . . . . 41 CYS HA . 10098 1 399 . 1 1 41 41 CYS HB2 H 1 3.422 0.030 . 2 . . . . 41 CYS HB2 . 10098 1 400 . 1 1 41 41 CYS HB3 H 1 2.133 0.030 . 2 . . . . 41 CYS HB3 . 10098 1 401 . 1 1 41 41 CYS C C 13 178.232 0.300 . 1 . . . . 41 CYS C . 10098 1 402 . 1 1 41 41 CYS CA C 13 58.028 0.300 . 1 . . . . 41 CYS CA . 10098 1 403 . 1 1 41 41 CYS CB C 13 31.926 0.300 . 1 . . . . 41 CYS CB . 10098 1 404 . 1 1 41 41 CYS N N 15 124.401 0.300 . 1 . . . . 41 CYS N . 10098 1 405 . 1 1 42 42 THR H H 1 9.995 0.030 . 1 . . . . 42 THR H . 10098 1 406 . 1 1 42 42 THR HA H 1 4.056 0.030 . 1 . . . . 42 THR HA . 10098 1 407 . 1 1 42 42 THR HB H 1 4.036 0.030 . 1 . . . . 42 THR HB . 10098 1 408 . 1 1 42 42 THR HG21 H 1 1.402 0.030 . 1 . . . . 42 THR HG2 . 10098 1 409 . 1 1 42 42 THR HG22 H 1 1.402 0.030 . 1 . . . . 42 THR HG2 . 10098 1 410 . 1 1 42 42 THR HG23 H 1 1.402 0.030 . 1 . . . . 42 THR HG2 . 10098 1 411 . 1 1 42 42 THR C C 13 174.244 0.300 . 1 . . . . 42 THR C . 10098 1 412 . 1 1 42 42 THR CA C 13 66.305 0.300 . 1 . . . . 42 THR CA . 10098 1 413 . 1 1 42 42 THR CB C 13 70.562 0.300 . 1 . . . . 42 THR CB . 10098 1 414 . 1 1 42 42 THR CG2 C 13 22.834 0.300 . 1 . . . . 42 THR CG2 . 10098 1 415 . 1 1 42 42 THR N N 15 128.054 0.300 . 1 . . . . 42 THR N . 10098 1 416 . 1 1 43 43 VAL H H 1 8.890 0.030 . 1 . . . . 43 VAL H . 10098 1 417 . 1 1 43 43 VAL HA H 1 3.978 0.030 . 1 . . . . 43 VAL HA . 10098 1 418 . 1 1 43 43 VAL HB H 1 2.184 0.030 . 1 . . . . 43 VAL HB . 10098 1 419 . 1 1 43 43 VAL HG11 H 1 0.984 0.030 . 1 . . . . 43 VAL HG1 . 10098 1 420 . 1 1 43 43 VAL HG12 H 1 0.984 0.030 . 1 . . . . 43 VAL HG1 . 10098 1 421 . 1 1 43 43 VAL HG13 H 1 0.984 0.030 . 1 . . . . 43 VAL HG1 . 10098 1 422 . 1 1 43 43 VAL HG21 H 1 0.953 0.030 . 1 . . . . 43 VAL HG2 . 10098 1 423 . 1 1 43 43 VAL HG22 H 1 0.953 0.030 . 1 . . . . 43 VAL HG2 . 10098 1 424 . 1 1 43 43 VAL HG23 H 1 0.953 0.030 . 1 . . . . 43 VAL HG2 . 10098 1 425 . 1 1 43 43 VAL C C 13 177.099 0.300 . 1 . . . . 43 VAL C . 10098 1 426 . 1 1 43 43 VAL CA C 13 65.568 0.300 . 1 . . . . 43 VAL CA . 10098 1 427 . 1 1 43 43 VAL CB C 13 33.140 0.300 . 1 . . . . 43 VAL CB . 10098 1 428 . 1 1 43 43 VAL CG1 C 13 22.701 0.300 . 2 . . . . 43 VAL CG1 . 10098 1 429 . 1 1 43 43 VAL CG2 C 13 20.657 0.300 . 2 . . . . 43 VAL CG2 . 10098 1 430 . 1 1 43 43 VAL N N 15 121.966 0.300 . 1 . . . . 43 VAL N . 10098 1 431 . 1 1 44 44 CYS H H 1 8.097 0.030 . 1 . . . . 44 CYS H . 10098 1 432 . 1 1 44 44 CYS HA H 1 4.933 0.030 . 1 . . . . 44 CYS HA . 10098 1 433 . 1 1 44 44 CYS HB2 H 1 2.875 0.030 . 2 . . . . 44 CYS HB2 . 10098 1 434 . 1 1 44 44 CYS HB3 H 1 3.330 0.030 . 2 . . . . 44 CYS HB3 . 10098 1 435 . 1 1 44 44 CYS C C 13 175.740 0.300 . 1 . . . . 44 CYS C . 10098 1 436 . 1 1 44 44 CYS CA C 13 59.067 0.300 . 1 . . . . 44 CYS CA . 10098 1 437 . 1 1 44 44 CYS CB C 13 31.723 0.300 . 1 . . . . 44 CYS CB . 10098 1 438 . 1 1 44 44 CYS N N 15 117.244 0.300 . 1 . . . . 44 CYS N . 10098 1 439 . 1 1 45 45 ASP H H 1 8.321 0.030 . 1 . . . . 45 ASP H . 10098 1 440 . 1 1 45 45 ASP HA H 1 4.539 0.030 . 1 . . . . 45 ASP HA . 10098 1 441 . 1 1 45 45 ASP HB2 H 1 3.102 0.030 . 2 . . . . 45 ASP HB2 . 10098 1 442 . 1 1 45 45 ASP HB3 H 1 2.578 0.030 . 2 . . . . 45 ASP HB3 . 10098 1 443 . 1 1 45 45 ASP C C 13 174.599 0.300 . 1 . . . . 45 ASP C . 10098 1 444 . 1 1 45 45 ASP CA C 13 56.596 0.300 . 1 . . . . 45 ASP CA . 10098 1 445 . 1 1 45 45 ASP CB C 13 41.620 0.300 . 1 . . . . 45 ASP CB . 10098 1 446 . 1 1 45 45 ASP N N 15 121.133 0.300 . 1 . . . . 45 ASP N . 10098 1 447 . 1 1 46 46 LYS H H 1 8.032 0.030 . 1 . . . . 46 LYS H . 10098 1 448 . 1 1 46 46 LYS HA H 1 4.827 0.030 . 1 . . . . 46 LYS HA . 10098 1 449 . 1 1 46 46 LYS HB2 H 1 2.077 0.030 . 2 . . . . 46 LYS HB2 . 10098 1 450 . 1 1 46 46 LYS HB3 H 1 2.105 0.030 . 2 . . . . 46 LYS HB3 . 10098 1 451 . 1 1 46 46 LYS HG2 H 1 1.531 0.030 . 2 . . . . 46 LYS HG2 . 10098 1 452 . 1 1 46 46 LYS HG3 H 1 1.642 0.030 . 2 . . . . 46 LYS HG3 . 10098 1 453 . 1 1 46 46 LYS HD2 H 1 1.711 0.030 . 1 . . . . 46 LYS HD2 . 10098 1 454 . 1 1 46 46 LYS HD3 H 1 1.711 0.030 . 1 . . . . 46 LYS HD3 . 10098 1 455 . 1 1 46 46 LYS HE2 H 1 3.044 0.030 . 1 . . . . 46 LYS HE2 . 10098 1 456 . 1 1 46 46 LYS HE3 H 1 3.044 0.030 . 1 . . . . 46 LYS HE3 . 10098 1 457 . 1 1 46 46 LYS C C 13 177.201 0.300 . 1 . . . . 46 LYS C . 10098 1 458 . 1 1 46 46 LYS CA C 13 55.044 0.300 . 1 . . . . 46 LYS CA . 10098 1 459 . 1 1 46 46 LYS CB C 13 34.455 0.300 . 1 . . . . 46 LYS CB . 10098 1 460 . 1 1 46 46 LYS CG C 13 25.465 0.300 . 1 . . . . 46 LYS CG . 10098 1 461 . 1 1 46 46 LYS CD C 13 28.837 0.300 . 1 . . . . 46 LYS CD . 10098 1 462 . 1 1 46 46 LYS CE C 13 42.486 0.300 . 1 . . . . 46 LYS CE . 10098 1 463 . 1 1 46 46 LYS N N 15 117.367 0.300 . 1 . . . . 46 LYS N . 10098 1 464 . 1 1 47 47 THR H H 1 8.519 0.030 . 1 . . . . 47 THR H . 10098 1 465 . 1 1 47 47 THR HA H 1 4.475 0.030 . 1 . . . . 47 THR HA . 10098 1 466 . 1 1 47 47 THR HB H 1 4.172 0.030 . 1 . . . . 47 THR HB . 10098 1 467 . 1 1 47 47 THR HG21 H 1 1.320 0.030 . 1 . . . . 47 THR HG2 . 10098 1 468 . 1 1 47 47 THR HG22 H 1 1.320 0.030 . 1 . . . . 47 THR HG2 . 10098 1 469 . 1 1 47 47 THR HG23 H 1 1.320 0.030 . 1 . . . . 47 THR HG2 . 10098 1 470 . 1 1 47 47 THR C C 13 174.809 0.300 . 1 . . . . 47 THR C . 10098 1 471 . 1 1 47 47 THR CA C 13 64.002 0.300 . 1 . . . . 47 THR CA . 10098 1 472 . 1 1 47 47 THR CB C 13 69.501 0.300 . 1 . . . . 47 THR CB . 10098 1 473 . 1 1 47 47 THR CG2 C 13 22.012 0.300 . 1 . . . . 47 THR CG2 . 10098 1 474 . 1 1 47 47 THR N N 15 115.920 0.300 . 1 . . . . 47 THR N . 10098 1 475 . 1 1 48 48 CYS H H 1 8.395 0.030 . 1 . . . . 48 CYS H . 10098 1 476 . 1 1 48 48 CYS HA H 1 4.804 0.030 . 1 . . . . 48 CYS HA . 10098 1 477 . 1 1 48 48 CYS HB2 H 1 2.449 0.030 . 2 . . . . 48 CYS HB2 . 10098 1 478 . 1 1 48 48 CYS HB3 H 1 1.736 0.030 . 2 . . . . 48 CYS HB3 . 10098 1 479 . 1 1 48 48 CYS C C 13 173.232 0.300 . 1 . . . . 48 CYS C . 10098 1 480 . 1 1 48 48 CYS CA C 13 57.177 0.300 . 1 . . . . 48 CYS CA . 10098 1 481 . 1 1 48 48 CYS CB C 13 29.836 0.300 . 1 . . . . 48 CYS CB . 10098 1 482 . 1 1 48 48 CYS N N 15 123.734 0.300 . 1 . . . . 48 CYS N . 10098 1 483 . 1 1 49 49 GLY H H 1 9.712 0.030 . 1 . . . . 49 GLY H . 10098 1 484 . 1 1 49 49 GLY HA2 H 1 4.178 0.030 . 2 . . . . 49 GLY HA2 . 10098 1 485 . 1 1 49 49 GLY HA3 H 1 3.865 0.030 . 2 . . . . 49 GLY HA3 . 10098 1 486 . 1 1 49 49 GLY C C 13 173.725 0.300 . 1 . . . . 49 GLY C . 10098 1 487 . 1 1 49 49 GLY CA C 13 45.475 0.300 . 1 . . . . 49 GLY CA . 10098 1 488 . 1 1 49 49 GLY N N 15 109.518 0.300 . 1 . . . . 49 GLY N . 10098 1 489 . 1 1 50 50 SER H H 1 8.204 0.030 . 1 . . . . 50 SER H . 10098 1 490 . 1 1 50 50 SER HA H 1 4.534 0.030 . 1 . . . . 50 SER HA . 10098 1 491 . 1 1 50 50 SER HB2 H 1 3.733 0.030 . 2 . . . . 50 SER HB2 . 10098 1 492 . 1 1 50 50 SER HB3 H 1 3.943 0.030 . 2 . . . . 50 SER HB3 . 10098 1 493 . 1 1 50 50 SER C C 13 174.953 0.300 . 1 . . . . 50 SER C . 10098 1 494 . 1 1 50 50 SER CA C 13 58.224 0.300 . 1 . . . . 50 SER CA . 10098 1 495 . 1 1 50 50 SER CB C 13 64.601 0.300 . 1 . . . . 50 SER CB . 10098 1 496 . 1 1 50 50 SER N N 15 113.236 0.300 . 1 . . . . 50 SER N . 10098 1 497 . 1 1 51 51 VAL H H 1 8.410 0.030 . 1 . . . . 51 VAL H . 10098 1 498 . 1 1 51 51 VAL HA H 1 4.260 0.030 . 1 . . . . 51 VAL HA . 10098 1 499 . 1 1 51 51 VAL HB H 1 2.235 0.030 . 1 . . . . 51 VAL HB . 10098 1 500 . 1 1 51 51 VAL HG11 H 1 0.985 0.030 . 1 . . . . 51 VAL HG1 . 10098 1 501 . 1 1 51 51 VAL HG12 H 1 0.985 0.030 . 1 . . . . 51 VAL HG1 . 10098 1 502 . 1 1 51 51 VAL HG13 H 1 0.985 0.030 . 1 . . . . 51 VAL HG1 . 10098 1 503 . 1 1 51 51 VAL HG21 H 1 0.951 0.030 . 1 . . . . 51 VAL HG2 . 10098 1 504 . 1 1 51 51 VAL HG22 H 1 0.951 0.030 . 1 . . . . 51 VAL HG2 . 10098 1 505 . 1 1 51 51 VAL HG23 H 1 0.951 0.030 . 1 . . . . 51 VAL HG2 . 10098 1 506 . 1 1 51 51 VAL C C 13 176.658 0.300 . 1 . . . . 51 VAL C . 10098 1 507 . 1 1 51 51 VAL CA C 13 62.846 0.300 . 1 . . . . 51 VAL CA . 10098 1 508 . 1 1 51 51 VAL CB C 13 32.035 0.300 . 1 . . . . 51 VAL CB . 10098 1 509 . 1 1 51 51 VAL CG1 C 13 21.354 0.300 . 2 . . . . 51 VAL CG1 . 10098 1 510 . 1 1 51 51 VAL CG2 C 13 20.077 0.300 . 2 . . . . 51 VAL CG2 . 10098 1 511 . 1 1 51 51 VAL N N 15 121.184 0.300 . 1 . . . . 51 VAL N . 10098 1 512 . 1 1 52 52 LEU H H 1 8.330 0.030 . 1 . . . . 52 LEU H . 10098 1 513 . 1 1 52 52 LEU HA H 1 4.250 0.030 . 1 . . . . 52 LEU HA . 10098 1 514 . 1 1 52 52 LEU HB2 H 1 1.570 0.030 . 2 . . . . 52 LEU HB2 . 10098 1 515 . 1 1 52 52 LEU HB3 H 1 1.633 0.030 . 2 . . . . 52 LEU HB3 . 10098 1 516 . 1 1 52 52 LEU HG H 1 1.587 0.030 . 1 . . . . 52 LEU HG . 10098 1 517 . 1 1 52 52 LEU HD11 H 1 0.898 0.030 . 1 . . . . 52 LEU HD1 . 10098 1 518 . 1 1 52 52 LEU HD12 H 1 0.898 0.030 . 1 . . . . 52 LEU HD1 . 10098 1 519 . 1 1 52 52 LEU HD13 H 1 0.898 0.030 . 1 . . . . 52 LEU HD1 . 10098 1 520 . 1 1 52 52 LEU HD21 H 1 0.856 0.030 . 1 . . . . 52 LEU HD2 . 10098 1 521 . 1 1 52 52 LEU HD22 H 1 0.856 0.030 . 1 . . . . 52 LEU HD2 . 10098 1 522 . 1 1 52 52 LEU HD23 H 1 0.856 0.030 . 1 . . . . 52 LEU HD2 . 10098 1 523 . 1 1 52 52 LEU C C 13 177.007 0.300 . 1 . . . . 52 LEU C . 10098 1 524 . 1 1 52 52 LEU CA C 13 55.832 0.300 . 1 . . . . 52 LEU CA . 10098 1 525 . 1 1 52 52 LEU CB C 13 42.671 0.300 . 1 . . . . 52 LEU CB . 10098 1 526 . 1 1 52 52 LEU CG C 13 27.028 0.300 . 1 . . . . 52 LEU CG . 10098 1 527 . 1 1 52 52 LEU CD1 C 13 25.054 0.300 . 2 . . . . 52 LEU CD1 . 10098 1 528 . 1 1 52 52 LEU CD2 C 13 23.081 0.300 . 2 . . . . 52 LEU CD2 . 10098 1 529 . 1 1 52 52 LEU N N 15 122.253 0.300 . 1 . . . . 52 LEU N . 10098 1 530 . 1 1 53 53 ARG H H 1 7.789 0.030 . 1 . . . . 53 ARG H . 10098 1 531 . 1 1 53 53 ARG HA H 1 4.323 0.030 . 1 . . . . 53 ARG HA . 10098 1 532 . 1 1 53 53 ARG HB2 H 1 1.801 0.030 . 2 . . . . 53 ARG HB2 . 10098 1 533 . 1 1 53 53 ARG HB3 H 1 1.871 0.030 . 2 . . . . 53 ARG HB3 . 10098 1 534 . 1 1 53 53 ARG HG2 H 1 1.479 0.030 . 2 . . . . 53 ARG HG2 . 10098 1 535 . 1 1 53 53 ARG HG3 H 1 1.512 0.030 . 2 . . . . 53 ARG HG3 . 10098 1 536 . 1 1 53 53 ARG HD2 H 1 3.180 0.030 . 1 . . . . 53 ARG HD2 . 10098 1 537 . 1 1 53 53 ARG HD3 H 1 3.180 0.030 . 1 . . . . 53 ARG HD3 . 10098 1 538 . 1 1 53 53 ARG C C 13 175.473 0.300 . 1 . . . . 53 ARG C . 10098 1 539 . 1 1 53 53 ARG CA C 13 55.694 0.300 . 1 . . . . 53 ARG CA . 10098 1 540 . 1 1 53 53 ARG CB C 13 30.743 0.300 . 1 . . . . 53 ARG CB . 10098 1 541 . 1 1 53 53 ARG CG C 13 26.945 0.300 . 1 . . . . 53 ARG CG . 10098 1 542 . 1 1 53 53 ARG CD C 13 43.209 0.300 . 1 . . . . 53 ARG CD . 10098 1 543 . 1 1 53 53 ARG N N 15 115.482 0.300 . 1 . . . . 53 ARG N . 10098 1 544 . 1 1 54 54 LEU H H 1 8.092 0.030 . 1 . . . . 54 LEU H . 10098 1 545 . 1 1 54 54 LEU HA H 1 4.351 0.030 . 1 . . . . 54 LEU HA . 10098 1 546 . 1 1 54 54 LEU HB2 H 1 1.474 0.030 . 2 . . . . 54 LEU HB2 . 10098 1 547 . 1 1 54 54 LEU HB3 H 1 1.594 0.030 . 2 . . . . 54 LEU HB3 . 10098 1 548 . 1 1 54 54 LEU HG H 1 1.482 0.030 . 1 . . . . 54 LEU HG . 10098 1 549 . 1 1 54 54 LEU HD11 H 1 0.888 0.030 . 1 . . . . 54 LEU HD1 . 10098 1 550 . 1 1 54 54 LEU HD12 H 1 0.888 0.030 . 1 . . . . 54 LEU HD1 . 10098 1 551 . 1 1 54 54 LEU HD13 H 1 0.888 0.030 . 1 . . . . 54 LEU HD1 . 10098 1 552 . 1 1 54 54 LEU HD21 H 1 0.834 0.030 . 1 . . . . 54 LEU HD2 . 10098 1 553 . 1 1 54 54 LEU HD22 H 1 0.834 0.030 . 1 . . . . 54 LEU HD2 . 10098 1 554 . 1 1 54 54 LEU HD23 H 1 0.834 0.030 . 1 . . . . 54 LEU HD2 . 10098 1 555 . 1 1 54 54 LEU C C 13 175.885 0.300 . 1 . . . . 54 LEU C . 10098 1 556 . 1 1 54 54 LEU CA C 13 54.860 0.300 . 1 . . . . 54 LEU CA . 10098 1 557 . 1 1 54 54 LEU CB C 13 41.575 0.300 . 1 . . . . 54 LEU CB . 10098 1 558 . 1 1 54 54 LEU CG C 13 26.871 0.300 . 1 . . . . 54 LEU CG . 10098 1 559 . 1 1 54 54 LEU CD1 C 13 25.319 0.300 . 2 . . . . 54 LEU CD1 . 10098 1 560 . 1 1 54 54 LEU CD2 C 13 23.800 0.300 . 2 . . . . 54 LEU CD2 . 10098 1 561 . 1 1 54 54 LEU N N 15 121.598 0.300 . 1 . . . . 54 LEU N . 10098 1 562 . 1 1 55 55 GLN H H 1 7.795 0.030 . 1 . . . . 55 GLN H . 10098 1 563 . 1 1 55 55 GLN HA H 1 4.390 0.030 . 1 . . . . 55 GLN HA . 10098 1 564 . 1 1 55 55 GLN HB2 H 1 1.790 0.030 . 2 . . . . 55 GLN HB2 . 10098 1 565 . 1 1 55 55 GLN HB3 H 1 1.836 0.030 . 2 . . . . 55 GLN HB3 . 10098 1 566 . 1 1 55 55 GLN HG2 H 1 2.152 0.030 . 2 . . . . 55 GLN HG2 . 10098 1 567 . 1 1 55 55 GLN HG3 H 1 2.204 0.030 . 2 . . . . 55 GLN HG3 . 10098 1 568 . 1 1 55 55 GLN HE21 H 1 6.775 0.030 . 2 . . . . 55 GLN HE21 . 10098 1 569 . 1 1 55 55 GLN HE22 H 1 7.517 0.030 . 2 . . . . 55 GLN HE22 . 10098 1 570 . 1 1 55 55 GLN C C 13 174.640 0.300 . 1 . . . . 55 GLN C . 10098 1 571 . 1 1 55 55 GLN CA C 13 55.798 0.300 . 1 . . . . 55 GLN CA . 10098 1 572 . 1 1 55 55 GLN CB C 13 32.062 0.300 . 1 . . . . 55 GLN CB . 10098 1 573 . 1 1 55 55 GLN CG C 13 34.099 0.300 . 1 . . . . 55 GLN CG . 10098 1 574 . 1 1 55 55 GLN N N 15 121.791 0.300 . 1 . . . . 55 GLN N . 10098 1 575 . 1 1 55 55 GLN NE2 N 15 112.767 0.300 . 1 . . . . 55 GLN NE2 . 10098 1 576 . 1 1 56 56 ASP H H 1 8.252 0.030 . 1 . . . . 56 ASP H . 10098 1 577 . 1 1 56 56 ASP HA H 1 4.770 0.030 . 1 . . . . 56 ASP HA . 10098 1 578 . 1 1 56 56 ASP HB2 H 1 2.759 0.030 . 2 . . . . 56 ASP HB2 . 10098 1 579 . 1 1 56 56 ASP HB3 H 1 2.991 0.030 . 2 . . . . 56 ASP HB3 . 10098 1 580 . 1 1 56 56 ASP C C 13 172.808 0.300 . 1 . . . . 56 ASP C . 10098 1 581 . 1 1 56 56 ASP CA C 13 56.301 0.300 . 1 . . . . 56 ASP CA . 10098 1 582 . 1 1 56 56 ASP CB C 13 41.911 0.300 . 1 . . . . 56 ASP CB . 10098 1 583 . 1 1 56 56 ASP N N 15 119.528 0.300 . 1 . . . . 56 ASP N . 10098 1 584 . 1 1 57 57 TRP H H 1 8.134 0.030 . 1 . . . . 57 TRP H . 10098 1 585 . 1 1 57 57 TRP HA H 1 5.398 0.030 . 1 . . . . 57 TRP HA . 10098 1 586 . 1 1 57 57 TRP HB2 H 1 3.037 0.030 . 2 . . . . 57 TRP HB2 . 10098 1 587 . 1 1 57 57 TRP HB3 H 1 2.565 0.030 . 2 . . . . 57 TRP HB3 . 10098 1 588 . 1 1 57 57 TRP HD1 H 1 6.826 0.030 . 1 . . . . 57 TRP HD1 . 10098 1 589 . 1 1 57 57 TRP HE1 H 1 10.157 0.030 . 1 . . . . 57 TRP HE1 . 10098 1 590 . 1 1 57 57 TRP HE3 H 1 7.336 0.030 . 1 . . . . 57 TRP HE3 . 10098 1 591 . 1 1 57 57 TRP HZ2 H 1 7.437 0.030 . 1 . . . . 57 TRP HZ2 . 10098 1 592 . 1 1 57 57 TRP HZ3 H 1 7.078 0.030 . 1 . . . . 57 TRP HZ3 . 10098 1 593 . 1 1 57 57 TRP HH2 H 1 7.190 0.030 . 1 . . . . 57 TRP HH2 . 10098 1 594 . 1 1 57 57 TRP C C 13 174.815 0.300 . 1 . . . . 57 TRP C . 10098 1 595 . 1 1 57 57 TRP CA C 13 56.789 0.300 . 1 . . . . 57 TRP CA . 10098 1 596 . 1 1 57 57 TRP CB C 13 33.097 0.300 . 1 . . . . 57 TRP CB . 10098 1 597 . 1 1 57 57 TRP CD1 C 13 126.631 0.300 . 1 . . . . 57 TRP CD1 . 10098 1 598 . 1 1 57 57 TRP CE3 C 13 119.889 0.300 . 1 . . . . 57 TRP CE3 . 10098 1 599 . 1 1 57 57 TRP CZ2 C 13 115.509 0.300 . 1 . . . . 57 TRP CZ2 . 10098 1 600 . 1 1 57 57 TRP CZ3 C 13 122.243 0.300 . 1 . . . . 57 TRP CZ3 . 10098 1 601 . 1 1 57 57 TRP CH2 C 13 124.943 0.300 . 1 . . . . 57 TRP CH2 . 10098 1 602 . 1 1 57 57 TRP N N 15 114.704 0.300 . 1 . . . . 57 TRP N . 10098 1 603 . 1 1 57 57 TRP NE1 N 15 131.525 0.300 . 1 . . . . 57 TRP NE1 . 10098 1 604 . 1 1 58 58 ARG H H 1 9.504 0.030 . 1 . . . . 58 ARG H . 10098 1 605 . 1 1 58 58 ARG HA H 1 5.888 0.030 . 1 . . . . 58 ARG HA . 10098 1 606 . 1 1 58 58 ARG HB2 H 1 1.656 0.030 . 2 . . . . 58 ARG HB2 . 10098 1 607 . 1 1 58 58 ARG HB3 H 1 1.882 0.030 . 2 . . . . 58 ARG HB3 . 10098 1 608 . 1 1 58 58 ARG HG2 H 1 1.507 0.030 . 2 . . . . 58 ARG HG2 . 10098 1 609 . 1 1 58 58 ARG HG3 H 1 1.742 0.030 . 2 . . . . 58 ARG HG3 . 10098 1 610 . 1 1 58 58 ARG HD2 H 1 2.913 0.030 . 2 . . . . 58 ARG HD2 . 10098 1 611 . 1 1 58 58 ARG HD3 H 1 3.148 0.030 . 2 . . . . 58 ARG HD3 . 10098 1 612 . 1 1 58 58 ARG C C 13 174.317 0.300 . 1 . . . . 58 ARG C . 10098 1 613 . 1 1 58 58 ARG CA C 13 53.097 0.300 . 1 . . . . 58 ARG CA . 10098 1 614 . 1 1 58 58 ARG CB C 13 33.869 0.300 . 1 . . . . 58 ARG CB . 10098 1 615 . 1 1 58 58 ARG CG C 13 26.871 0.300 . 1 . . . . 58 ARG CG . 10098 1 616 . 1 1 58 58 ARG CD C 13 44.018 0.300 . 1 . . . . 58 ARG CD . 10098 1 617 . 1 1 58 58 ARG N N 15 118.081 0.300 . 1 . . . . 58 ARG N . 10098 1 618 . 1 1 59 59 CYS H H 1 8.913 0.030 . 1 . . . . 59 CYS H . 10098 1 619 . 1 1 59 59 CYS HA H 1 4.651 0.030 . 1 . . . . 59 CYS HA . 10098 1 620 . 1 1 59 59 CYS HB2 H 1 2.914 0.030 . 2 . . . . 59 CYS HB2 . 10098 1 621 . 1 1 59 59 CYS HB3 H 1 1.734 0.030 . 2 . . . . 59 CYS HB3 . 10098 1 622 . 1 1 59 59 CYS C C 13 177.451 0.300 . 1 . . . . 59 CYS C . 10098 1 623 . 1 1 59 59 CYS CA C 13 57.639 0.300 . 1 . . . . 59 CYS CA . 10098 1 624 . 1 1 59 59 CYS CB C 13 29.874 0.300 . 1 . . . . 59 CYS CB . 10098 1 625 . 1 1 59 59 CYS N N 15 126.589 0.300 . 1 . . . . 59 CYS N . 10098 1 626 . 1 1 60 60 LEU H H 1 8.706 0.030 . 1 . . . . 60 LEU H . 10098 1 627 . 1 1 60 60 LEU HA H 1 3.915 0.030 . 1 . . . . 60 LEU HA . 10098 1 628 . 1 1 60 60 LEU HB2 H 1 0.977 0.030 . 2 . . . . 60 LEU HB2 . 10098 1 629 . 1 1 60 60 LEU HB3 H 1 1.221 0.030 . 2 . . . . 60 LEU HB3 . 10098 1 630 . 1 1 60 60 LEU HG H 1 1.202 0.030 . 1 . . . . 60 LEU HG . 10098 1 631 . 1 1 60 60 LEU HD11 H 1 0.596 0.030 . 1 . . . . 60 LEU HD1 . 10098 1 632 . 1 1 60 60 LEU HD12 H 1 0.596 0.030 . 1 . . . . 60 LEU HD1 . 10098 1 633 . 1 1 60 60 LEU HD13 H 1 0.596 0.030 . 1 . . . . 60 LEU HD1 . 10098 1 634 . 1 1 60 60 LEU HD21 H 1 0.780 0.030 . 1 . . . . 60 LEU HD2 . 10098 1 635 . 1 1 60 60 LEU HD22 H 1 0.780 0.030 . 1 . . . . 60 LEU HD2 . 10098 1 636 . 1 1 60 60 LEU HD23 H 1 0.780 0.030 . 1 . . . . 60 LEU HD2 . 10098 1 637 . 1 1 60 60 LEU C C 13 176.986 0.300 . 1 . . . . 60 LEU C . 10098 1 638 . 1 1 60 60 LEU CA C 13 57.403 0.300 . 1 . . . . 60 LEU CA . 10098 1 639 . 1 1 60 60 LEU CB C 13 43.439 0.300 . 1 . . . . 60 LEU CB . 10098 1 640 . 1 1 60 60 LEU CG C 13 26.612 0.300 . 1 . . . . 60 LEU CG . 10098 1 641 . 1 1 60 60 LEU CD1 C 13 24.805 0.300 . 2 . . . . 60 LEU CD1 . 10098 1 642 . 1 1 60 60 LEU CD2 C 13 23.484 0.300 . 2 . . . . 60 LEU CD2 . 10098 1 643 . 1 1 60 60 LEU N N 15 130.603 0.300 . 1 . . . . 60 LEU N . 10098 1 644 . 1 1 61 61 TRP H H 1 8.757 0.030 . 1 . . . . 61 TRP H . 10098 1 645 . 1 1 61 61 TRP HA H 1 5.020 0.030 . 1 . . . . 61 TRP HA . 10098 1 646 . 1 1 61 61 TRP HB2 H 1 3.230 0.030 . 2 . . . . 61 TRP HB2 . 10098 1 647 . 1 1 61 61 TRP HB3 H 1 2.949 0.030 . 2 . . . . 61 TRP HB3 . 10098 1 648 . 1 1 61 61 TRP HD1 H 1 7.231 0.030 . 1 . . . . 61 TRP HD1 . 10098 1 649 . 1 1 61 61 TRP HE1 H 1 10.207 0.030 . 1 . . . . 61 TRP HE1 . 10098 1 650 . 1 1 61 61 TRP HE3 H 1 7.923 0.030 . 1 . . . . 61 TRP HE3 . 10098 1 651 . 1 1 61 61 TRP HZ2 H 1 7.425 0.030 . 1 . . . . 61 TRP HZ2 . 10098 1 652 . 1 1 61 61 TRP HZ3 H 1 7.166 0.030 . 1 . . . . 61 TRP HZ3 . 10098 1 653 . 1 1 61 61 TRP HH2 H 1 7.181 0.030 . 1 . . . . 61 TRP HH2 . 10098 1 654 . 1 1 61 61 TRP C C 13 176.717 0.300 . 1 . . . . 61 TRP C . 10098 1 655 . 1 1 61 61 TRP CA C 13 56.840 0.300 . 1 . . . . 61 TRP CA . 10098 1 656 . 1 1 61 61 TRP CB C 13 32.032 0.300 . 1 . . . . 61 TRP CB . 10098 1 657 . 1 1 61 61 TRP CD1 C 13 125.477 0.300 . 1 . . . . 61 TRP CD1 . 10098 1 658 . 1 1 61 61 TRP CE3 C 13 122.271 0.300 . 1 . . . . 61 TRP CE3 . 10098 1 659 . 1 1 61 61 TRP CZ2 C 13 114.541 0.300 . 1 . . . . 61 TRP CZ2 . 10098 1 660 . 1 1 61 61 TRP CZ3 C 13 122.429 0.300 . 1 . . . . 61 TRP CZ3 . 10098 1 661 . 1 1 61 61 TRP CH2 C 13 124.948 0.300 . 1 . . . . 61 TRP CH2 . 10098 1 662 . 1 1 61 61 TRP N N 15 119.462 0.300 . 1 . . . . 61 TRP N . 10098 1 663 . 1 1 61 61 TRP NE1 N 15 128.889 0.300 . 1 . . . . 61 TRP NE1 . 10098 1 664 . 1 1 62 62 CYS H H 1 8.184 0.030 . 1 . . . . 62 CYS H . 10098 1 665 . 1 1 62 62 CYS HA H 1 5.015 0.030 . 1 . . . . 62 CYS HA . 10098 1 666 . 1 1 62 62 CYS HB2 H 1 3.447 0.030 . 2 . . . . 62 CYS HB2 . 10098 1 667 . 1 1 62 62 CYS HB3 H 1 3.166 0.030 . 2 . . . . 62 CYS HB3 . 10098 1 668 . 1 1 62 62 CYS C C 13 176.227 0.300 . 1 . . . . 62 CYS C . 10098 1 669 . 1 1 62 62 CYS CA C 13 58.760 0.300 . 1 . . . . 62 CYS CA . 10098 1 670 . 1 1 62 62 CYS CB C 13 31.976 0.300 . 1 . . . . 62 CYS CB . 10098 1 671 . 1 1 62 62 CYS N N 15 118.686 0.300 . 1 . . . . 62 CYS N . 10098 1 672 . 1 1 63 63 LYS H H 1 7.598 0.030 . 1 . . . . 63 LYS H . 10098 1 673 . 1 1 63 63 LYS HA H 1 4.210 0.030 . 1 . . . . 63 LYS HA . 10098 1 674 . 1 1 63 63 LYS HB2 H 1 2.099 0.030 . 2 . . . . 63 LYS HB2 . 10098 1 675 . 1 1 63 63 LYS HB3 H 1 2.176 0.030 . 2 . . . . 63 LYS HB3 . 10098 1 676 . 1 1 63 63 LYS HG2 H 1 1.379 0.030 . 1 . . . . 63 LYS HG2 . 10098 1 677 . 1 1 63 63 LYS HG3 H 1 1.379 0.030 . 1 . . . . 63 LYS HG3 . 10098 1 678 . 1 1 63 63 LYS HD2 H 1 1.649 0.030 . 1 . . . . 63 LYS HD2 . 10098 1 679 . 1 1 63 63 LYS HD3 H 1 1.649 0.030 . 1 . . . . 63 LYS HD3 . 10098 1 680 . 1 1 63 63 LYS HE2 H 1 3.037 0.030 . 1 . . . . 63 LYS HE2 . 10098 1 681 . 1 1 63 63 LYS HE3 H 1 3.037 0.030 . 1 . . . . 63 LYS HE3 . 10098 1 682 . 1 1 63 63 LYS C C 13 175.835 0.300 . 1 . . . . 63 LYS C . 10098 1 683 . 1 1 63 63 LYS CA C 13 57.901 0.300 . 1 . . . . 63 LYS CA . 10098 1 684 . 1 1 63 63 LYS CB C 13 29.678 0.300 . 1 . . . . 63 LYS CB . 10098 1 685 . 1 1 63 63 LYS CG C 13 25.301 0.300 . 1 . . . . 63 LYS CG . 10098 1 686 . 1 1 63 63 LYS CD C 13 28.939 0.300 . 1 . . . . 63 LYS CD . 10098 1 687 . 1 1 63 63 LYS CE C 13 42.486 0.300 . 1 . . . . 63 LYS CE . 10098 1 688 . 1 1 63 63 LYS N N 15 115.102 0.300 . 1 . . . . 63 LYS N . 10098 1 689 . 1 1 64 64 ALA H H 1 8.551 0.030 . 1 . . . . 64 ALA H . 10098 1 690 . 1 1 64 64 ALA HA H 1 4.291 0.030 . 1 . . . . 64 ALA HA . 10098 1 691 . 1 1 64 64 ALA HB1 H 1 1.314 0.030 . 1 . . . . 64 ALA HB . 10098 1 692 . 1 1 64 64 ALA HB2 H 1 1.314 0.030 . 1 . . . . 64 ALA HB . 10098 1 693 . 1 1 64 64 ALA HB3 H 1 1.314 0.030 . 1 . . . . 64 ALA HB . 10098 1 694 . 1 1 64 64 ALA C C 13 176.575 0.300 . 1 . . . . 64 ALA C . 10098 1 695 . 1 1 64 64 ALA CA C 13 54.236 0.300 . 1 . . . . 64 ALA CA . 10098 1 696 . 1 1 64 64 ALA CB C 13 19.372 0.300 . 1 . . . . 64 ALA CB . 10098 1 697 . 1 1 64 64 ALA N N 15 124.651 0.300 . 1 . . . . 64 ALA N . 10098 1 698 . 1 1 65 65 MET H H 1 8.185 0.030 . 1 . . . . 65 MET H . 10098 1 699 . 1 1 65 65 MET HA H 1 5.596 0.030 . 1 . . . . 65 MET HA . 10098 1 700 . 1 1 65 65 MET HB2 H 1 1.829 0.030 . 2 . . . . 65 MET HB2 . 10098 1 701 . 1 1 65 65 MET HB3 H 1 2.050 0.030 . 2 . . . . 65 MET HB3 . 10098 1 702 . 1 1 65 65 MET HG2 H 1 2.480 0.030 . 2 . . . . 65 MET HG2 . 10098 1 703 . 1 1 65 65 MET HG3 H 1 2.810 0.030 . 2 . . . . 65 MET HG3 . 10098 1 704 . 1 1 65 65 MET HE1 H 1 2.194 0.030 . 1 . . . . 65 MET HE . 10098 1 705 . 1 1 65 65 MET HE2 H 1 2.194 0.030 . 1 . . . . 65 MET HE . 10098 1 706 . 1 1 65 65 MET HE3 H 1 2.194 0.030 . 1 . . . . 65 MET HE . 10098 1 707 . 1 1 65 65 MET C C 13 174.833 0.300 . 1 . . . . 65 MET C . 10098 1 708 . 1 1 65 65 MET CA C 13 54.757 0.300 . 1 . . . . 65 MET CA . 10098 1 709 . 1 1 65 65 MET CB C 13 36.051 0.300 . 1 . . . . 65 MET CB . 10098 1 710 . 1 1 65 65 MET CG C 13 32.538 0.300 . 1 . . . . 65 MET CG . 10098 1 711 . 1 1 65 65 MET CE C 13 17.569 0.300 . 1 . . . . 65 MET CE . 10098 1 712 . 1 1 65 65 MET N N 15 120.096 0.300 . 1 . . . . 65 MET N . 10098 1 713 . 1 1 66 66 VAL H H 1 8.987 0.030 . 1 . . . . 66 VAL H . 10098 1 714 . 1 1 66 66 VAL HA H 1 6.008 0.030 . 1 . . . . 66 VAL HA . 10098 1 715 . 1 1 66 66 VAL HB H 1 1.935 0.030 . 1 . . . . 66 VAL HB . 10098 1 716 . 1 1 66 66 VAL HG11 H 1 0.729 0.030 . 1 . . . . 66 VAL HG1 . 10098 1 717 . 1 1 66 66 VAL HG12 H 1 0.729 0.030 . 1 . . . . 66 VAL HG1 . 10098 1 718 . 1 1 66 66 VAL HG13 H 1 0.729 0.030 . 1 . . . . 66 VAL HG1 . 10098 1 719 . 1 1 66 66 VAL HG21 H 1 0.182 0.030 . 1 . . . . 66 VAL HG2 . 10098 1 720 . 1 1 66 66 VAL HG22 H 1 0.182 0.030 . 1 . . . . 66 VAL HG2 . 10098 1 721 . 1 1 66 66 VAL HG23 H 1 0.182 0.030 . 1 . . . . 66 VAL HG2 . 10098 1 722 . 1 1 66 66 VAL C C 13 175.913 0.300 . 1 . . . . 66 VAL C . 10098 1 723 . 1 1 66 66 VAL CA C 13 57.865 0.300 . 1 . . . . 66 VAL CA . 10098 1 724 . 1 1 66 66 VAL CB C 13 37.116 0.300 . 1 . . . . 66 VAL CB . 10098 1 725 . 1 1 66 66 VAL CG1 C 13 23.410 0.300 . 2 . . . . 66 VAL CG1 . 10098 1 726 . 1 1 66 66 VAL CG2 C 13 19.386 0.300 . 2 . . . . 66 VAL CG2 . 10098 1 727 . 1 1 66 66 VAL N N 15 113.399 0.300 . 1 . . . . 66 VAL N . 10098 1 728 . 1 1 67 67 HIS H H 1 7.702 0.030 . 1 . . . . 67 HIS H . 10098 1 729 . 1 1 67 67 HIS HA H 1 4.937 0.030 . 1 . . . . 67 HIS HA . 10098 1 730 . 1 1 67 67 HIS HB2 H 1 3.503 0.030 . 2 . . . . 67 HIS HB2 . 10098 1 731 . 1 1 67 67 HIS HB3 H 1 3.670 0.030 . 2 . . . . 67 HIS HB3 . 10098 1 732 . 1 1 67 67 HIS HD2 H 1 7.688 0.030 . 1 . . . . 67 HIS HD2 . 10098 1 733 . 1 1 67 67 HIS HE1 H 1 7.287 0.030 . 1 . . . . 67 HIS HE1 . 10098 1 734 . 1 1 67 67 HIS C C 13 178.806 0.300 . 1 . . . . 67 HIS C . 10098 1 735 . 1 1 67 67 HIS CA C 13 58.196 0.300 . 1 . . . . 67 HIS CA . 10098 1 736 . 1 1 67 67 HIS CB C 13 31.866 0.300 . 1 . . . . 67 HIS CB . 10098 1 737 . 1 1 67 67 HIS CD2 C 13 119.456 0.300 . 1 . . . . 67 HIS CD2 . 10098 1 738 . 1 1 67 67 HIS CE1 C 13 138.454 0.300 . 1 . . . . 67 HIS CE1 . 10098 1 739 . 1 1 67 67 HIS N N 15 119.664 0.300 . 1 . . . . 67 HIS N . 10098 1 740 . 1 1 68 68 THR H H 1 9.458 0.030 . 1 . . . . 68 THR H . 10098 1 741 . 1 1 68 68 THR HA H 1 3.854 0.030 . 1 . . . . 68 THR HA . 10098 1 742 . 1 1 68 68 THR HB H 1 4.420 0.030 . 1 . . . . 68 THR HB . 10098 1 743 . 1 1 68 68 THR HG21 H 1 1.374 0.030 . 1 . . . . 68 THR HG2 . 10098 1 744 . 1 1 68 68 THR HG22 H 1 1.374 0.030 . 1 . . . . 68 THR HG2 . 10098 1 745 . 1 1 68 68 THR HG23 H 1 1.374 0.030 . 1 . . . . 68 THR HG2 . 10098 1 746 . 1 1 68 68 THR C C 13 178.828 0.300 . 1 . . . . 68 THR C . 10098 1 747 . 1 1 68 68 THR CA C 13 68.511 0.300 . 1 . . . . 68 THR CA . 10098 1 748 . 1 1 68 68 THR CB C 13 68.640 0.300 . 1 . . . . 68 THR CB . 10098 1 749 . 1 1 68 68 THR CG2 C 13 22.475 0.300 . 1 . . . . 68 THR CG2 . 10098 1 750 . 1 1 68 68 THR N N 15 121.820 0.300 . 1 . . . . 68 THR N . 10098 1 751 . 1 1 69 69 SER HA H 1 4.272 0.030 . 1 . . . . 69 SER HA . 10098 1 752 . 1 1 69 69 SER HB2 H 1 3.892 0.030 . 2 . . . . 69 SER HB2 . 10098 1 753 . 1 1 69 69 SER HB3 H 1 4.011 0.030 . 2 . . . . 69 SER HB3 . 10098 1 754 . 1 1 69 69 SER C C 13 175.217 0.300 . 1 . . . . 69 SER C . 10098 1 755 . 1 1 69 69 SER CA C 13 60.748 0.300 . 1 . . . . 69 SER CA . 10098 1 756 . 1 1 69 69 SER CB C 13 62.810 0.300 . 1 . . . . 69 SER CB . 10098 1 757 . 1 1 70 70 CYS H H 1 7.195 0.030 . 1 . . . . 70 CYS H . 10098 1 758 . 1 1 70 70 CYS HA H 1 4.268 0.030 . 1 . . . . 70 CYS HA . 10098 1 759 . 1 1 70 70 CYS HB2 H 1 2.793 0.030 . 2 . . . . 70 CYS HB2 . 10098 1 760 . 1 1 70 70 CYS HB3 H 1 2.929 0.030 . 2 . . . . 70 CYS HB3 . 10098 1 761 . 1 1 70 70 CYS C C 13 175.835 0.300 . 1 . . . . 70 CYS C . 10098 1 762 . 1 1 70 70 CYS CA C 13 60.947 0.300 . 1 . . . . 70 CYS CA . 10098 1 763 . 1 1 70 70 CYS CB C 13 31.452 0.300 . 1 . . . . 70 CYS CB . 10098 1 764 . 1 1 70 70 CYS N N 15 120.040 0.300 . 1 . . . . 70 CYS N . 10098 1 765 . 1 1 71 71 LYS H H 1 7.187 0.030 . 1 . . . . 71 LYS H . 10098 1 766 . 1 1 71 71 LYS HA H 1 3.226 0.030 . 1 . . . . 71 LYS HA . 10098 1 767 . 1 1 71 71 LYS HB2 H 1 1.095 0.030 . 2 . . . . 71 LYS HB2 . 10098 1 768 . 1 1 71 71 LYS HB3 H 1 1.443 0.030 . 2 . . . . 71 LYS HB3 . 10098 1 769 . 1 1 71 71 LYS HG2 H 1 -0.025 0.030 . 2 . . . . 71 LYS HG2 . 10098 1 770 . 1 1 71 71 LYS HG3 H 1 0.601 0.030 . 2 . . . . 71 LYS HG3 . 10098 1 771 . 1 1 71 71 LYS HD2 H 1 -0.129 0.030 . 2 . . . . 71 LYS HD2 . 10098 1 772 . 1 1 71 71 LYS HD3 H 1 0.250 0.030 . 2 . . . . 71 LYS HD3 . 10098 1 773 . 1 1 71 71 LYS HE2 H 1 0.949 0.030 . 2 . . . . 71 LYS HE2 . 10098 1 774 . 1 1 71 71 LYS HE3 H 1 1.026 0.030 . 2 . . . . 71 LYS HE3 . 10098 1 775 . 1 1 71 71 LYS C C 13 177.452 0.300 . 1 . . . . 71 LYS C . 10098 1 776 . 1 1 71 71 LYS CA C 13 60.807 0.300 . 1 . . . . 71 LYS CA . 10098 1 777 . 1 1 71 71 LYS CB C 13 32.923 0.300 . 1 . . . . 71 LYS CB . 10098 1 778 . 1 1 71 71 LYS CG C 13 22.786 0.300 . 1 . . . . 71 LYS CG . 10098 1 779 . 1 1 71 71 LYS CD C 13 28.605 0.300 . 1 . . . . 71 LYS CD . 10098 1 780 . 1 1 71 71 LYS CE C 13 40.105 0.300 . 1 . . . . 71 LYS CE . 10098 1 781 . 1 1 71 71 LYS N N 15 121.113 0.300 . 1 . . . . 71 LYS N . 10098 1 782 . 1 1 72 72 GLU H H 1 8.213 0.030 . 1 . . . . 72 GLU H . 10098 1 783 . 1 1 72 72 GLU HA H 1 4.096 0.030 . 1 . . . . 72 GLU HA . 10098 1 784 . 1 1 72 72 GLU HB2 H 1 1.907 0.030 . 2 . . . . 72 GLU HB2 . 10098 1 785 . 1 1 72 72 GLU HB3 H 1 2.102 0.030 . 2 . . . . 72 GLU HB3 . 10098 1 786 . 1 1 72 72 GLU HG2 H 1 2.235 0.030 . 1 . . . . 72 GLU HG2 . 10098 1 787 . 1 1 72 72 GLU HG3 H 1 2.235 0.030 . 1 . . . . 72 GLU HG3 . 10098 1 788 . 1 1 72 72 GLU C C 13 177.017 0.300 . 1 . . . . 72 GLU C . 10098 1 789 . 1 1 72 72 GLU CA C 13 57.811 0.300 . 1 . . . . 72 GLU CA . 10098 1 790 . 1 1 72 72 GLU CB C 13 28.906 0.300 . 1 . . . . 72 GLU CB . 10098 1 791 . 1 1 72 72 GLU CG C 13 36.730 0.300 . 1 . . . . 72 GLU CG . 10098 1 792 . 1 1 72 72 GLU N N 15 114.701 0.300 . 1 . . . . 72 GLU N . 10098 1 793 . 1 1 73 73 SER H H 1 7.709 0.030 . 1 . . . . 73 SER H . 10098 1 794 . 1 1 73 73 SER HA H 1 4.467 0.030 . 1 . . . . 73 SER HA . 10098 1 795 . 1 1 73 73 SER HB2 H 1 3.963 0.030 . 2 . . . . 73 SER HB2 . 10098 1 796 . 1 1 73 73 SER HB3 H 1 4.020 0.030 . 2 . . . . 73 SER HB3 . 10098 1 797 . 1 1 73 73 SER C C 13 173.131 0.300 . 1 . . . . 73 SER C . 10098 1 798 . 1 1 73 73 SER CA C 13 58.731 0.300 . 1 . . . . 73 SER CA . 10098 1 799 . 1 1 73 73 SER CB C 13 64.103 0.300 . 1 . . . . 73 SER CB . 10098 1 800 . 1 1 73 73 SER N N 15 113.324 0.300 . 1 . . . . 73 SER N . 10098 1 801 . 1 1 74 74 LEU H H 1 7.155 0.030 . 1 . . . . 74 LEU H . 10098 1 802 . 1 1 74 74 LEU HA H 1 4.457 0.030 . 1 . . . . 74 LEU HA . 10098 1 803 . 1 1 74 74 LEU HB2 H 1 1.130 0.030 . 2 . . . . 74 LEU HB2 . 10098 1 804 . 1 1 74 74 LEU HB3 H 1 2.147 0.030 . 2 . . . . 74 LEU HB3 . 10098 1 805 . 1 1 74 74 LEU HG H 1 1.696 0.030 . 1 . . . . 74 LEU HG . 10098 1 806 . 1 1 74 74 LEU HD11 H 1 0.992 0.030 . 1 . . . . 74 LEU HD1 . 10098 1 807 . 1 1 74 74 LEU HD12 H 1 0.992 0.030 . 1 . . . . 74 LEU HD1 . 10098 1 808 . 1 1 74 74 LEU HD13 H 1 0.992 0.030 . 1 . . . . 74 LEU HD1 . 10098 1 809 . 1 1 74 74 LEU HD21 H 1 0.836 0.030 . 1 . . . . 74 LEU HD2 . 10098 1 810 . 1 1 74 74 LEU HD22 H 1 0.836 0.030 . 1 . . . . 74 LEU HD2 . 10098 1 811 . 1 1 74 74 LEU HD23 H 1 0.836 0.030 . 1 . . . . 74 LEU HD2 . 10098 1 812 . 1 1 74 74 LEU C C 13 176.188 0.300 . 1 . . . . 74 LEU C . 10098 1 813 . 1 1 74 74 LEU CA C 13 54.795 0.300 . 1 . . . . 74 LEU CA . 10098 1 814 . 1 1 74 74 LEU CB C 13 41.294 0.300 . 1 . . . . 74 LEU CB . 10098 1 815 . 1 1 74 74 LEU CG C 13 27.388 0.300 . 1 . . . . 74 LEU CG . 10098 1 816 . 1 1 74 74 LEU CD1 C 13 24.314 0.300 . 2 . . . . 74 LEU CD1 . 10098 1 817 . 1 1 74 74 LEU CD2 C 13 26.543 0.300 . 2 . . . . 74 LEU CD2 . 10098 1 818 . 1 1 74 74 LEU N N 15 122.433 0.300 . 1 . . . . 74 LEU N . 10098 1 819 . 1 1 75 75 LEU H H 1 8.901 0.030 . 1 . . . . 75 LEU H . 10098 1 820 . 1 1 75 75 LEU HA H 1 4.586 0.030 . 1 . . . . 75 LEU HA . 10098 1 821 . 1 1 75 75 LEU HB2 H 1 1.731 0.030 . 1 . . . . 75 LEU HB2 . 10098 1 822 . 1 1 75 75 LEU HB3 H 1 1.731 0.030 . 1 . . . . 75 LEU HB3 . 10098 1 823 . 1 1 75 75 LEU HG H 1 1.705 0.030 . 1 . . . . 75 LEU HG . 10098 1 824 . 1 1 75 75 LEU HD11 H 1 0.972 0.030 . 1 . . . . 75 LEU HD1 . 10098 1 825 . 1 1 75 75 LEU HD12 H 1 0.972 0.030 . 1 . . . . 75 LEU HD1 . 10098 1 826 . 1 1 75 75 LEU HD13 H 1 0.972 0.030 . 1 . . . . 75 LEU HD1 . 10098 1 827 . 1 1 75 75 LEU HD21 H 1 0.860 0.030 . 1 . . . . 75 LEU HD2 . 10098 1 828 . 1 1 75 75 LEU HD22 H 1 0.860 0.030 . 1 . . . . 75 LEU HD2 . 10098 1 829 . 1 1 75 75 LEU HD23 H 1 0.860 0.030 . 1 . . . . 75 LEU HD2 . 10098 1 830 . 1 1 75 75 LEU C C 13 177.722 0.300 . 1 . . . . 75 LEU C . 10098 1 831 . 1 1 75 75 LEU CA C 13 54.990 0.300 . 1 . . . . 75 LEU CA . 10098 1 832 . 1 1 75 75 LEU CB C 13 42.152 0.300 . 1 . . . . 75 LEU CB . 10098 1 833 . 1 1 75 75 LEU CG C 13 26.871 0.300 . 1 . . . . 75 LEU CG . 10098 1 834 . 1 1 75 75 LEU CD1 C 13 25.383 0.300 . 2 . . . . 75 LEU CD1 . 10098 1 835 . 1 1 75 75 LEU CD2 C 13 22.670 0.300 . 2 . . . . 75 LEU CD2 . 10098 1 836 . 1 1 75 75 LEU N N 15 128.394 0.300 . 1 . . . . 75 LEU N . 10098 1 837 . 1 1 76 76 THR H H 1 7.293 0.030 . 1 . . . . 76 THR H . 10098 1 838 . 1 1 76 76 THR HA H 1 4.274 0.030 . 1 . . . . 76 THR HA . 10098 1 839 . 1 1 76 76 THR HB H 1 4.357 0.030 . 1 . . . . 76 THR HB . 10098 1 840 . 1 1 76 76 THR HG21 H 1 1.373 0.030 . 1 . . . . 76 THR HG2 . 10098 1 841 . 1 1 76 76 THR HG22 H 1 1.373 0.030 . 1 . . . . 76 THR HG2 . 10098 1 842 . 1 1 76 76 THR HG23 H 1 1.373 0.030 . 1 . . . . 76 THR HG2 . 10098 1 843 . 1 1 76 76 THR C C 13 174.960 0.300 . 1 . . . . 76 THR C . 10098 1 844 . 1 1 76 76 THR CA C 13 61.435 0.300 . 1 . . . . 76 THR CA . 10098 1 845 . 1 1 76 76 THR CB C 13 70.193 0.300 . 1 . . . . 76 THR CB . 10098 1 846 . 1 1 76 76 THR CG2 C 13 22.505 0.300 . 1 . . . . 76 THR CG2 . 10098 1 847 . 1 1 76 76 THR N N 15 111.091 0.300 . 1 . . . . 76 THR N . 10098 1 848 . 1 1 77 77 LYS H H 1 8.486 0.030 . 1 . . . . 77 LYS H . 10098 1 849 . 1 1 77 77 LYS HA H 1 4.179 0.030 . 1 . . . . 77 LYS HA . 10098 1 850 . 1 1 77 77 LYS HB2 H 1 1.713 0.030 . 2 . . . . 77 LYS HB2 . 10098 1 851 . 1 1 77 77 LYS HB3 H 1 1.799 0.030 . 2 . . . . 77 LYS HB3 . 10098 1 852 . 1 1 77 77 LYS HG2 H 1 1.410 0.030 . 1 . . . . 77 LYS HG2 . 10098 1 853 . 1 1 77 77 LYS HG3 H 1 1.410 0.030 . 1 . . . . 77 LYS HG3 . 10098 1 854 . 1 1 77 77 LYS HD2 H 1 1.609 0.030 . 1 . . . . 77 LYS HD2 . 10098 1 855 . 1 1 77 77 LYS HD3 H 1 1.609 0.030 . 1 . . . . 77 LYS HD3 . 10098 1 856 . 1 1 77 77 LYS HE2 H 1 2.974 0.030 . 1 . . . . 77 LYS HE2 . 10098 1 857 . 1 1 77 77 LYS HE3 H 1 2.974 0.030 . 1 . . . . 77 LYS HE3 . 10098 1 858 . 1 1 77 77 LYS C C 13 174.960 0.300 . 1 . . . . 77 LYS C . 10098 1 859 . 1 1 77 77 LYS CA C 13 55.478 0.300 . 1 . . . . 77 LYS CA . 10098 1 860 . 1 1 77 77 LYS CB C 13 32.827 0.300 . 1 . . . . 77 LYS CB . 10098 1 861 . 1 1 77 77 LYS CG C 13 24.808 0.300 . 1 . . . . 77 LYS CG . 10098 1 862 . 1 1 77 77 LYS CD C 13 28.919 0.300 . 1 . . . . 77 LYS CD . 10098 1 863 . 1 1 77 77 LYS CE C 13 42.239 0.300 . 1 . . . . 77 LYS CE . 10098 1 864 . 1 1 77 77 LYS N N 15 123.155 0.300 . 1 . . . . 77 LYS N . 10098 1 865 . 1 1 78 78 CYS H H 1 8.375 0.030 . 1 . . . . 78 CYS H . 10098 1 866 . 1 1 78 78 CYS HA H 1 3.811 0.030 . 1 . . . . 78 CYS HA . 10098 1 867 . 1 1 78 78 CYS HB2 H 1 2.239 0.030 . 2 . . . . 78 CYS HB2 . 10098 1 868 . 1 1 78 78 CYS HB3 H 1 1.335 0.030 . 2 . . . . 78 CYS HB3 . 10098 1 869 . 1 1 78 78 CYS C C 13 175.445 0.300 . 1 . . . . 78 CYS C . 10098 1 870 . 1 1 78 78 CYS CA C 13 61.126 0.300 . 1 . . . . 78 CYS CA . 10098 1 871 . 1 1 78 78 CYS CB C 13 29.670 0.300 . 1 . . . . 78 CYS CB . 10098 1 872 . 1 1 78 78 CYS N N 15 125.049 0.300 . 1 . . . . 78 CYS N . 10098 1 873 . 1 1 79 79 SER H H 1 8.114 0.030 . 1 . . . . 79 SER H . 10098 1 874 . 1 1 79 79 SER HA H 1 4.308 0.030 . 1 . . . . 79 SER HA . 10098 1 875 . 1 1 79 79 SER HB2 H 1 3.857 0.030 . 2 . . . . 79 SER HB2 . 10098 1 876 . 1 1 79 79 SER HB3 H 1 3.989 0.030 . 2 . . . . 79 SER HB3 . 10098 1 877 . 1 1 79 79 SER C C 13 176.139 0.300 . 1 . . . . 79 SER C . 10098 1 878 . 1 1 79 79 SER CA C 13 59.513 0.300 . 1 . . . . 79 SER CA . 10098 1 879 . 1 1 79 79 SER CB C 13 63.554 0.300 . 1 . . . . 79 SER CB . 10098 1 880 . 1 1 79 79 SER N N 15 121.308 0.300 . 1 . . . . 79 SER N . 10098 1 881 . 1 1 80 80 GLY H H 1 8.664 0.030 . 1 . . . . 80 GLY H . 10098 1 882 . 1 1 80 80 GLY HA2 H 1 3.414 0.030 . 2 . . . . 80 GLY HA2 . 10098 1 883 . 1 1 80 80 GLY HA3 H 1 3.908 0.030 . 2 . . . . 80 GLY HA3 . 10098 1 884 . 1 1 80 80 GLY C C 13 170.398 0.300 . 1 . . . . 80 GLY C . 10098 1 885 . 1 1 80 80 GLY CA C 13 44.769 0.300 . 1 . . . . 80 GLY CA . 10098 1 886 . 1 1 80 80 GLY N N 15 112.079 0.300 . 1 . . . . 80 GLY N . 10098 1 887 . 1 1 81 81 PRO HA H 1 3.701 0.030 . 1 . . . . 81 PRO HA . 10098 1 888 . 1 1 81 81 PRO HB2 H 1 1.633 0.030 . 1 . . . . 81 PRO HB2 . 10098 1 889 . 1 1 81 81 PRO HB3 H 1 1.633 0.030 . 1 . . . . 81 PRO HB3 . 10098 1 890 . 1 1 81 81 PRO HG2 H 1 1.278 0.030 . 2 . . . . 81 PRO HG2 . 10098 1 891 . 1 1 81 81 PRO HG3 H 1 1.626 0.030 . 2 . . . . 81 PRO HG3 . 10098 1 892 . 1 1 81 81 PRO HD2 H 1 2.096 0.030 . 2 . . . . 81 PRO HD2 . 10098 1 893 . 1 1 81 81 PRO HD3 H 1 3.100 0.030 . 2 . . . . 81 PRO HD3 . 10098 1 894 . 1 1 81 81 PRO CA C 13 62.810 0.300 . 1 . . . . 81 PRO CA . 10098 1 895 . 1 1 81 81 PRO CB C 13 31.594 0.300 . 1 . . . . 81 PRO CB . 10098 1 896 . 1 1 81 81 PRO CG C 13 26.515 0.300 . 1 . . . . 81 PRO CG . 10098 1 897 . 1 1 81 81 PRO CD C 13 48.773 0.300 . 1 . . . . 81 PRO CD . 10098 1 898 . 1 1 82 82 SER H H 1 8.193 0.030 . 1 . . . . 82 SER H . 10098 1 899 . 1 1 82 82 SER N N 15 116.745 0.300 . 1 . . . . 82 SER N . 10098 1 stop_ save_