data_11414 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11414 _Entry.Title ; Solution structure of C2H2 type Zinc finger domain 345 in Zinc finger protein 278 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-09-08 _Entry.Original_release_date 2011-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.0.46 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Kasahara . . . 11414 2 K. Tsuda . . . 11414 3 Y. Muto . . . 11414 4 M. Inoue . . . 11414 5 T. Kigawa . . . 11414 6 T. Terada . . . 11414 7 M. Shirouzu . . . 11414 8 S. Yokoyama . . . 11414 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11414 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11414 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 11414 '15N chemical shifts' 83 11414 '1H chemical shifts' 579 11414 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 . . 2011-09-08 2010-09-09 original author . 11414 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11414 _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 C2H2 type Zinc finger domain 345 in Zinc finger protein 278 ; _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 N. Kasahara . . . 11414 1 2 K. Tsuda . . . 11414 1 3 Y. Muto . . . 11414 1 4 M. Inoue . . . 11414 1 5 T. Kigawa . . . 11414 1 6 T. Terada . . . 11414 1 7 M. Shirouzu . . . 11414 1 8 S. Yokoyama . . . 11414 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11414 _Assembly.ID 1 _Assembly.Name 'zinc finger-containing protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C2H2 domain' 1 $entity_1 A . yes native no no . . . 11414 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11414 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11414 1 4 'ZINC ION no.3' 2 $ZN D . no native no no . . . 11414 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'C2H2 domain' 1 CYS 10 10 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 10 CYS SG . . . . ZN 11414 1 2 coordination single . 1 'C2H2 domain' 1 CYS 13 13 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 13 CYS SG . . . . ZN 11414 1 3 coordination single . 1 'C2H2 domain' 1 HIS 26 26 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 26 HIS NE2 . . . . ZN 11414 1 4 coordination single . 1 'C2H2 domain' 1 HIS 30 30 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 30 HIS NE2 . . . . ZN 11414 1 5 coordination single . 1 'C2H2 domain' 1 CYS 38 38 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11414 1 6 coordination single . 1 'C2H2 domain' 1 CYS 41 41 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11414 1 7 coordination single . 1 'C2H2 domain' 1 HIS 54 54 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 54 HIS NE2 . . . . ZN 11414 1 8 coordination single . 1 'C2H2 domain' 1 HIS 58 58 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 58 HIS NE2 . . . . ZN 11414 1 9 coordination single . 1 'C2H2 domain' 1 CYS 68 68 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 68 CYS SG . . . . ZN 11414 1 10 coordination single . 1 'C2H2 domain' 1 CYS 71 71 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 71 CYS SG . . . . ZN 11414 1 11 coordination single . 1 'C2H2 domain' 1 HIS 84 84 NE2 . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 84 HIS NE2 . . . . ZN 11414 1 12 coordination single . 1 'C2H2 domain' 1 HIS 89 89 NE2 . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 89 HIS NE2 . . . . ZN 11414 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 84 84 HE2 . 84 HIS HE2 11414 1 . . 1 1 HIS 89 89 HE2 . 89 HIS HE2 11414 1 . . 1 1 CYS 68 68 HG . 68 CYS HG 11414 1 . . 1 1 CYS 71 71 HG . 71 CYS HG 11414 1 . . 1 1 HIS 54 54 HE2 . 54 HIS HE2 11414 1 . . 1 1 HIS 58 58 HE2 . 58 HIS HE2 11414 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11414 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11414 1 . . 1 1 HIS 26 26 HE2 . 26 HIS HE2 11414 1 . . 1 1 HIS 30 30 HE2 . 30 HIS HE2 11414 1 . . 1 1 CYS 10 10 HG . 10 CYS HG 11414 1 . . 1 1 CYS 13 13 HG . 13 CYS HG 11414 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 yes PDB 2yt9 . . . . . . 11414 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11414 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2H2 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVACEICGKIFRDV YHLNRHKLSHSGEKPYSCPV CGLRFKRKDRMSYHVRSHDG SVGKPYICQSCGKGFSRPDH LNGHIKQVHSGPSSG ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YT9 . "Solution Structure Of C2h2 Type Zinc Finger Domain 345 In Zinc Finger Protein 278" . . . . . 100.00 95 100.00 100.00 5.49e-60 . . . . 11414 1 2 no DBJ BAE38619 . "unnamed protein product [Mus musculus]" . . . . . 87.37 537 98.80 100.00 5.18e-51 . . . . 11414 1 3 no DBJ BAF84492 . "unnamed protein product [Homo sapiens]" . . . . . 87.37 537 98.80 100.00 6.77e-51 . . . . 11414 1 4 no GB AAF32518 . "PATZ [Homo sapiens]" . . . . . 87.37 537 97.59 100.00 2.09e-50 . . . . 11414 1 5 no GB AAF99602 . "krueppel-related zinc finger protein SBZF5 [Homo sapiens]" . . . . . 73.68 424 100.00 100.00 2.05e-41 . . . . 11414 1 6 no GB AAG09031 . "zinc finger sarcoma gene short isoform [Homo sapiens]" . . . . . 87.37 537 98.80 100.00 6.92e-51 . . . . 11414 1 7 no GB AAG09035 . "EWS/ZSG fusion protein short isoform [Homo sapiens]" . . . . . 87.37 609 98.80 100.00 3.31e-52 . . . . 11414 1 8 no GB AAH21091 . "POZ (BTB) and AT hook containing zinc finger 1 [Homo sapiens]" . . . . . 87.37 537 98.80 100.00 6.92e-51 . . . . 11414 1 9 no REF NP_001240620 . "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 3 [Mus musculus]" . . . . . 87.37 516 98.80 100.00 7.01e-51 . . . . 11414 1 10 no REF NP_001264144 . "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 3 [Rattus norvegicus]" . . . . . 87.37 537 98.80 100.00 5.98e-51 . . . . 11414 1 11 no REF NP_114440 . "POZ-, AT hook-, and zinc finger-containing protein 1 short isoform [Homo sapiens]" . . . . . 87.37 537 98.80 100.00 6.92e-51 . . . . 11414 1 12 no REF XP_001927041 . "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 [Sus scrofa]" . . . . . 87.37 537 98.80 100.00 5.02e-51 . . . . 11414 1 13 no REF XP_003317256 . "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X4 [Pan troglodytes]" . . . . . 87.37 537 98.80 100.00 7.06e-51 . . . . 11414 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2H2 domain' . 11414 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 . 11414 1 2 . SER . 11414 1 3 . SER . 11414 1 4 . GLY . 11414 1 5 . SER . 11414 1 6 . SER . 11414 1 7 . GLY . 11414 1 8 . VAL . 11414 1 9 . ALA . 11414 1 10 . CYS . 11414 1 11 . GLU . 11414 1 12 . ILE . 11414 1 13 . CYS . 11414 1 14 . GLY . 11414 1 15 . LYS . 11414 1 16 . ILE . 11414 1 17 . PHE . 11414 1 18 . ARG . 11414 1 19 . ASP . 11414 1 20 . VAL . 11414 1 21 . TYR . 11414 1 22 . HIS . 11414 1 23 . LEU . 11414 1 24 . ASN . 11414 1 25 . ARG . 11414 1 26 . HIS . 11414 1 27 . LYS . 11414 1 28 . LEU . 11414 1 29 . SER . 11414 1 30 . HIS . 11414 1 31 . SER . 11414 1 32 . GLY . 11414 1 33 . GLU . 11414 1 34 . LYS . 11414 1 35 . PRO . 11414 1 36 . TYR . 11414 1 37 . SER . 11414 1 38 . CYS . 11414 1 39 . PRO . 11414 1 40 . VAL . 11414 1 41 . CYS . 11414 1 42 . GLY . 11414 1 43 . LEU . 11414 1 44 . ARG . 11414 1 45 . PHE . 11414 1 46 . LYS . 11414 1 47 . ARG . 11414 1 48 . LYS . 11414 1 49 . ASP . 11414 1 50 . ARG . 11414 1 51 . MET . 11414 1 52 . SER . 11414 1 53 . TYR . 11414 1 54 . HIS . 11414 1 55 . VAL . 11414 1 56 . ARG . 11414 1 57 . SER . 11414 1 58 . HIS . 11414 1 59 . ASP . 11414 1 60 . GLY . 11414 1 61 . SER . 11414 1 62 . VAL . 11414 1 63 . GLY . 11414 1 64 . LYS . 11414 1 65 . PRO . 11414 1 66 . TYR . 11414 1 67 . ILE . 11414 1 68 . CYS . 11414 1 69 . GLN . 11414 1 70 . SER . 11414 1 71 . CYS . 11414 1 72 . GLY . 11414 1 73 . LYS . 11414 1 74 . GLY . 11414 1 75 . PHE . 11414 1 76 . SER . 11414 1 77 . ARG . 11414 1 78 . PRO . 11414 1 79 . ASP . 11414 1 80 . HIS . 11414 1 81 . LEU . 11414 1 82 . ASN . 11414 1 83 . GLY . 11414 1 84 . HIS . 11414 1 85 . ILE . 11414 1 86 . LYS . 11414 1 87 . GLN . 11414 1 88 . VAL . 11414 1 89 . HIS . 11414 1 90 . SER . 11414 1 91 . GLY . 11414 1 92 . PRO . 11414 1 93 . SER . 11414 1 94 . SER . 11414 1 95 . GLY . 11414 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 11414 1 . SER 2 2 11414 1 . SER 3 3 11414 1 . GLY 4 4 11414 1 . SER 5 5 11414 1 . SER 6 6 11414 1 . GLY 7 7 11414 1 . VAL 8 8 11414 1 . ALA 9 9 11414 1 . CYS 10 10 11414 1 . GLU 11 11 11414 1 . ILE 12 12 11414 1 . CYS 13 13 11414 1 . GLY 14 14 11414 1 . LYS 15 15 11414 1 . ILE 16 16 11414 1 . PHE 17 17 11414 1 . ARG 18 18 11414 1 . ASP 19 19 11414 1 . VAL 20 20 11414 1 . TYR 21 21 11414 1 . HIS 22 22 11414 1 . LEU 23 23 11414 1 . ASN 24 24 11414 1 . ARG 25 25 11414 1 . HIS 26 26 11414 1 . LYS 27 27 11414 1 . LEU 28 28 11414 1 . SER 29 29 11414 1 . HIS 30 30 11414 1 . SER 31 31 11414 1 . GLY 32 32 11414 1 . GLU 33 33 11414 1 . LYS 34 34 11414 1 . PRO 35 35 11414 1 . TYR 36 36 11414 1 . SER 37 37 11414 1 . CYS 38 38 11414 1 . PRO 39 39 11414 1 . VAL 40 40 11414 1 . CYS 41 41 11414 1 . GLY 42 42 11414 1 . LEU 43 43 11414 1 . ARG 44 44 11414 1 . PHE 45 45 11414 1 . LYS 46 46 11414 1 . ARG 47 47 11414 1 . LYS 48 48 11414 1 . ASP 49 49 11414 1 . ARG 50 50 11414 1 . MET 51 51 11414 1 . SER 52 52 11414 1 . TYR 53 53 11414 1 . HIS 54 54 11414 1 . VAL 55 55 11414 1 . ARG 56 56 11414 1 . SER 57 57 11414 1 . HIS 58 58 11414 1 . ASP 59 59 11414 1 . GLY 60 60 11414 1 . SER 61 61 11414 1 . VAL 62 62 11414 1 . GLY 63 63 11414 1 . LYS 64 64 11414 1 . PRO 65 65 11414 1 . TYR 66 66 11414 1 . ILE 67 67 11414 1 . CYS 68 68 11414 1 . GLN 69 69 11414 1 . SER 70 70 11414 1 . CYS 71 71 11414 1 . GLY 72 72 11414 1 . LYS 73 73 11414 1 . GLY 74 74 11414 1 . PHE 75 75 11414 1 . SER 76 76 11414 1 . ARG 77 77 11414 1 . PRO 78 78 11414 1 . ASP 79 79 11414 1 . HIS 80 80 11414 1 . LEU 81 81 11414 1 . ASN 82 82 11414 1 . GLY 83 83 11414 1 . HIS 84 84 11414 1 . ILE 85 85 11414 1 . LYS 86 86 11414 1 . GLN 87 87 11414 1 . VAL 88 88 11414 1 . HIS 89 89 11414 1 . SER 90 90 11414 1 . GLY 91 91 11414 1 . PRO 92 92 11414 1 . SER 93 93 11414 1 . SER 94 94 11414 1 . GLY 95 95 11414 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11414 _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 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11414 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 11414 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11414 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 11414 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060718-20 . . . . . . 11414 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 11414 _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 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11414 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11414 ZN [Zn++] SMILES CACTVS 3.341 11414 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11414 ZN [Zn+2] SMILES ACDLabs 10.04 11414 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11414 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11414 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 11414 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11414 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 . 11414 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11414 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 0.05mM ZnCl2+1mM IDA, 90% H2O,10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C2H2 domain' . . . 1 $entity_1 . protein . . . mM . . . . 11414 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11414 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11414 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11414 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11414 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11414 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11414 1 8 H2O . . . . . . solvent 90 . . % . . . . 11414 1 9 D2O . . . . . . solvent 10 . . % . . . . 11414 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 11414 _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 11414 1 pH 7.0 0.05 pH 11414 1 pressure 1 0.001 atm 11414 1 temperature 298 0.1 K 11414 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11414 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11414 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11414 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11414 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060702 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio F.' . . 11414 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11414 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11414 _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 'Jonson B.A.' . . 11414 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11414 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11414 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11414 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11414 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11414 _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 'Gutert P.' . . 11414 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11414 5 'structure solution' 11414 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 11414 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11414 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11414 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11414 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11414 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11414 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11414 _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 . . . . . . . . . 11414 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11414 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11414 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 11414 _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 11414 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11414 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11414 1 2 $NMRPipe . . 11414 1 3 $NMRview . . 11414 1 4 $Kujira . . 11414 1 5 $CYANA . . 11414 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 6 6 SER HA H 1 4.578 0.030 . 1 . . . . 6 SER HA . 11414 1 2 . 1 1 6 6 SER HB2 H 1 3.891 0.030 . 1 . . . . 6 SER HB2 . 11414 1 3 . 1 1 6 6 SER HB3 H 1 3.891 0.030 . 1 . . . . 6 SER HB3 . 11414 1 4 . 1 1 6 6 SER C C 13 174.187 0.300 . 1 . . . . 6 SER C . 11414 1 5 . 1 1 6 6 SER CA C 13 58.331 0.300 . 1 . . . . 6 SER CA . 11414 1 6 . 1 1 6 6 SER CB C 13 64.146 0.300 . 1 . . . . 6 SER CB . 11414 1 7 . 1 1 7 7 GLY H H 1 8.126 0.030 . 1 . . . . 7 GLY H . 11414 1 8 . 1 1 7 7 GLY HA2 H 1 4.038 0.030 . 1 . . . . 7 GLY HA2 . 11414 1 9 . 1 1 7 7 GLY HA3 H 1 4.038 0.030 . 1 . . . . 7 GLY HA3 . 11414 1 10 . 1 1 7 7 GLY C C 13 172.940 0.300 . 1 . . . . 7 GLY C . 11414 1 11 . 1 1 7 7 GLY CA C 13 44.867 0.300 . 1 . . . . 7 GLY CA . 11414 1 12 . 1 1 7 7 GLY N N 15 110.142 0.300 . 1 . . . . 7 GLY N . 11414 1 13 . 1 1 8 8 VAL H H 1 8.735 0.030 . 1 . . . . 8 VAL H . 11414 1 14 . 1 1 8 8 VAL HA H 1 4.528 0.030 . 1 . . . . 8 VAL HA . 11414 1 15 . 1 1 8 8 VAL HB H 1 2.036 0.030 . 1 . . . . 8 VAL HB . 11414 1 16 . 1 1 8 8 VAL HG11 H 1 0.890 0.030 . 1 . . . . 8 VAL HG1 . 11414 1 17 . 1 1 8 8 VAL HG12 H 1 0.890 0.030 . 1 . . . . 8 VAL HG1 . 11414 1 18 . 1 1 8 8 VAL HG13 H 1 0.890 0.030 . 1 . . . . 8 VAL HG1 . 11414 1 19 . 1 1 8 8 VAL HG21 H 1 0.807 0.030 . 1 . . . . 8 VAL HG2 . 11414 1 20 . 1 1 8 8 VAL HG22 H 1 0.807 0.030 . 1 . . . . 8 VAL HG2 . 11414 1 21 . 1 1 8 8 VAL HG23 H 1 0.807 0.030 . 1 . . . . 8 VAL HG2 . 11414 1 22 . 1 1 8 8 VAL C C 13 173.841 0.300 . 1 . . . . 8 VAL C . 11414 1 23 . 1 1 8 8 VAL CA C 13 60.166 0.300 . 1 . . . . 8 VAL CA . 11414 1 24 . 1 1 8 8 VAL CB C 13 34.078 0.300 . 1 . . . . 8 VAL CB . 11414 1 25 . 1 1 8 8 VAL CG1 C 13 22.057 0.300 . 2 . . . . 8 VAL CG1 . 11414 1 26 . 1 1 8 8 VAL CG2 C 13 20.482 0.300 . 2 . . . . 8 VAL CG2 . 11414 1 27 . 1 1 8 8 VAL N N 15 117.161 0.300 . 1 . . . . 8 VAL N . 11414 1 28 . 1 1 9 9 ALA H H 1 8.497 0.030 . 1 . . . . 9 ALA H . 11414 1 29 . 1 1 9 9 ALA HA H 1 5.126 0.030 . 1 . . . . 9 ALA HA . 11414 1 30 . 1 1 9 9 ALA HB1 H 1 1.186 0.030 . 1 . . . . 9 ALA HB . 11414 1 31 . 1 1 9 9 ALA HB2 H 1 1.186 0.030 . 1 . . . . 9 ALA HB . 11414 1 32 . 1 1 9 9 ALA HB3 H 1 1.186 0.030 . 1 . . . . 9 ALA HB . 11414 1 33 . 1 1 9 9 ALA C C 13 177.419 0.300 . 1 . . . . 9 ALA C . 11414 1 34 . 1 1 9 9 ALA CA C 13 50.505 0.300 . 1 . . . . 9 ALA CA . 11414 1 35 . 1 1 9 9 ALA CB C 13 21.036 0.300 . 1 . . . . 9 ALA CB . 11414 1 36 . 1 1 9 9 ALA N N 15 126.674 0.300 . 1 . . . . 9 ALA N . 11414 1 37 . 1 1 10 10 CYS H H 1 9.115 0.030 . 1 . . . . 10 CYS H . 11414 1 38 . 1 1 10 10 CYS HA H 1 4.398 0.030 . 1 . . . . 10 CYS HA . 11414 1 39 . 1 1 10 10 CYS HB2 H 1 2.894 0.030 . 2 . . . . 10 CYS HB2 . 11414 1 40 . 1 1 10 10 CYS HB3 H 1 3.434 0.030 . 2 . . . . 10 CYS HB3 . 11414 1 41 . 1 1 10 10 CYS C C 13 177.414 0.300 . 1 . . . . 10 CYS C . 11414 1 42 . 1 1 10 10 CYS CA C 13 60.100 0.300 . 1 . . . . 10 CYS CA . 11414 1 43 . 1 1 10 10 CYS CB C 13 30.054 0.300 . 1 . . . . 10 CYS CB . 11414 1 44 . 1 1 10 10 CYS N N 15 123.087 0.300 . 1 . . . . 10 CYS N . 11414 1 45 . 1 1 11 11 GLU H H 1 10.234 0.030 . 1 . . . . 11 GLU H . 11414 1 46 . 1 1 11 11 GLU HA H 1 4.268 0.030 . 1 . . . . 11 GLU HA . 11414 1 47 . 1 1 11 11 GLU HB2 H 1 2.142 0.030 . 2 . . . . 11 GLU HB2 . 11414 1 48 . 1 1 11 11 GLU HB3 H 1 2.209 0.030 . 2 . . . . 11 GLU HB3 . 11414 1 49 . 1 1 11 11 GLU HG2 H 1 2.363 0.030 . 2 . . . . 11 GLU HG2 . 11414 1 50 . 1 1 11 11 GLU HG3 H 1 2.469 0.030 . 2 . . . . 11 GLU HG3 . 11414 1 51 . 1 1 11 11 GLU C C 13 176.493 0.300 . 1 . . . . 11 GLU C . 11414 1 52 . 1 1 11 11 GLU CA C 13 59.006 0.300 . 1 . . . . 11 GLU CA . 11414 1 53 . 1 1 11 11 GLU CB C 13 28.778 0.300 . 1 . . . . 11 GLU CB . 11414 1 54 . 1 1 11 11 GLU CG C 13 35.939 0.300 . 1 . . . . 11 GLU CG . 11414 1 55 . 1 1 11 11 GLU N N 15 106.245 0.300 . 1 . . . . 11 GLU N . 11414 1 56 . 1 1 12 12 ILE H H 1 8.932 0.030 . 1 . . . . 12 ILE H . 11414 1 57 . 1 1 12 12 ILE HA H 1 3.955 0.030 . 1 . . . . 12 ILE HA . 11414 1 58 . 1 1 12 12 ILE HB H 1 1.308 0.030 . 1 . . . . 12 ILE HB . 11414 1 59 . 1 1 12 12 ILE HD11 H 1 0.717 0.030 . 1 . . . . 12 ILE HD1 . 11414 1 60 . 1 1 12 12 ILE HD12 H 1 0.717 0.030 . 1 . . . . 12 ILE HD1 . 11414 1 61 . 1 1 12 12 ILE HD13 H 1 0.717 0.030 . 1 . . . . 12 ILE HD1 . 11414 1 62 . 1 1 12 12 ILE HG12 H 1 1.405 0.030 . 2 . . . . 12 ILE HG12 . 11414 1 63 . 1 1 12 12 ILE HG13 H 1 1.087 0.030 . 2 . . . . 12 ILE HG13 . 11414 1 64 . 1 1 12 12 ILE HG21 H 1 0.283 0.030 . 1 . . . . 12 ILE HG2 . 11414 1 65 . 1 1 12 12 ILE HG22 H 1 0.283 0.030 . 1 . . . . 12 ILE HG2 . 11414 1 66 . 1 1 12 12 ILE HG23 H 1 0.283 0.030 . 1 . . . . 12 ILE HG2 . 11414 1 67 . 1 1 12 12 ILE C C 13 174.666 0.300 . 1 . . . . 12 ILE C . 11414 1 68 . 1 1 12 12 ILE CA C 13 63.459 0.300 . 1 . . . . 12 ILE CA . 11414 1 69 . 1 1 12 12 ILE CB C 13 38.194 0.300 . 1 . . . . 12 ILE CB . 11414 1 70 . 1 1 12 12 ILE CD1 C 13 12.617 0.300 . 1 . . . . 12 ILE CD1 . 11414 1 71 . 1 1 12 12 ILE CG1 C 13 28.349 0.300 . 1 . . . . 12 ILE CG1 . 11414 1 72 . 1 1 12 12 ILE CG2 C 13 16.396 0.300 . 1 . . . . 12 ILE CG2 . 11414 1 73 . 1 1 12 12 ILE N N 15 122.572 0.300 . 1 . . . . 12 ILE N . 11414 1 74 . 1 1 13 13 CYS H H 1 8.146 0.030 . 1 . . . . 13 CYS H . 11414 1 75 . 1 1 13 13 CYS HA H 1 5.208 0.030 . 1 . . . . 13 CYS HA . 11414 1 76 . 1 1 13 13 CYS HB2 H 1 2.914 0.030 . 2 . . . . 13 CYS HB2 . 11414 1 77 . 1 1 13 13 CYS HB3 H 1 3.536 0.030 . 2 . . . . 13 CYS HB3 . 11414 1 78 . 1 1 13 13 CYS CA C 13 58.389 0.300 . 1 . . . . 13 CYS CA . 11414 1 79 . 1 1 13 13 CYS CB C 13 32.867 0.300 . 1 . . . . 13 CYS CB . 11414 1 80 . 1 1 13 13 CYS N N 15 116.098 0.300 . 1 . . . . 13 CYS N . 11414 1 81 . 1 1 14 14 GLY H H 1 8.286 0.030 . 1 . . . . 14 GLY H . 11414 1 82 . 1 1 14 14 GLY HA2 H 1 4.259 0.030 . 2 . . . . 14 GLY HA2 . 11414 1 83 . 1 1 14 14 GLY HA3 H 1 3.869 0.030 . 2 . . . . 14 GLY HA3 . 11414 1 84 . 1 1 14 14 GLY C C 13 173.693 0.300 . 1 . . . . 14 GLY C . 11414 1 85 . 1 1 14 14 GLY CA C 13 46.316 0.300 . 1 . . . . 14 GLY CA . 11414 1 86 . 1 1 14 14 GLY N N 15 113.792 0.300 . 1 . . . . 14 GLY N . 11414 1 87 . 1 1 15 15 LYS H H 1 7.923 0.030 . 1 . . . . 15 LYS H . 11414 1 88 . 1 1 15 15 LYS HA H 1 4.077 0.030 . 1 . . . . 15 LYS HA . 11414 1 89 . 1 1 15 15 LYS HB2 H 1 1.576 0.030 . 2 . . . . 15 LYS HB2 . 11414 1 90 . 1 1 15 15 LYS HB3 H 1 1.420 0.030 . 2 . . . . 15 LYS HB3 . 11414 1 91 . 1 1 15 15 LYS HD2 H 1 1.657 0.030 . 2 . . . . 15 LYS HD2 . 11414 1 92 . 1 1 15 15 LYS HD3 H 1 1.588 0.030 . 2 . . . . 15 LYS HD3 . 11414 1 93 . 1 1 15 15 LYS HE2 H 1 3.025 0.030 . 1 . . . . 15 LYS HE2 . 11414 1 94 . 1 1 15 15 LYS HE3 H 1 3.025 0.030 . 1 . . . . 15 LYS HE3 . 11414 1 95 . 1 1 15 15 LYS HG2 H 1 1.217 0.030 . 2 . . . . 15 LYS HG2 . 11414 1 96 . 1 1 15 15 LYS HG3 H 1 1.585 0.030 . 2 . . . . 15 LYS HG3 . 11414 1 97 . 1 1 15 15 LYS C C 13 174.102 0.300 . 1 . . . . 15 LYS C . 11414 1 98 . 1 1 15 15 LYS CA C 13 58.085 0.300 . 1 . . . . 15 LYS CA . 11414 1 99 . 1 1 15 15 LYS CB C 13 33.996 0.300 . 1 . . . . 15 LYS CB . 11414 1 100 . 1 1 15 15 LYS CD C 13 29.439 0.300 . 1 . . . . 15 LYS CD . 11414 1 101 . 1 1 15 15 LYS CE C 13 42.378 0.300 . 1 . . . . 15 LYS CE . 11414 1 102 . 1 1 15 15 LYS CG C 13 26.512 0.300 . 1 . . . . 15 LYS CG . 11414 1 103 . 1 1 15 15 LYS N N 15 122.367 0.300 . 1 . . . . 15 LYS N . 11414 1 104 . 1 1 16 16 ILE H H 1 7.788 0.030 . 1 . . . . 16 ILE H . 11414 1 105 . 1 1 16 16 ILE HA H 1 4.365 0.030 . 1 . . . . 16 ILE HA . 11414 1 106 . 1 1 16 16 ILE HB H 1 1.508 0.030 . 1 . . . . 16 ILE HB . 11414 1 107 . 1 1 16 16 ILE HD11 H 1 0.741 0.030 . 1 . . . . 16 ILE HD1 . 11414 1 108 . 1 1 16 16 ILE HD12 H 1 0.741 0.030 . 1 . . . . 16 ILE HD1 . 11414 1 109 . 1 1 16 16 ILE HD13 H 1 0.741 0.030 . 1 . . . . 16 ILE HD1 . 11414 1 110 . 1 1 16 16 ILE HG12 H 1 1.511 0.030 . 2 . . . . 16 ILE HG12 . 11414 1 111 . 1 1 16 16 ILE HG13 H 1 1.033 0.030 . 2 . . . . 16 ILE HG13 . 11414 1 112 . 1 1 16 16 ILE HG21 H 1 0.693 0.030 . 1 . . . . 16 ILE HG2 . 11414 1 113 . 1 1 16 16 ILE HG22 H 1 0.693 0.030 . 1 . . . . 16 ILE HG2 . 11414 1 114 . 1 1 16 16 ILE HG23 H 1 0.693 0.030 . 1 . . . . 16 ILE HG2 . 11414 1 115 . 1 1 16 16 ILE C C 13 175.476 0.300 . 1 . . . . 16 ILE C . 11414 1 116 . 1 1 16 16 ILE CA C 13 60.245 0.300 . 1 . . . . 16 ILE CA . 11414 1 117 . 1 1 16 16 ILE CB C 13 38.833 0.300 . 1 . . . . 16 ILE CB . 11414 1 118 . 1 1 16 16 ILE CD1 C 13 12.028 0.300 . 1 . . . . 16 ILE CD1 . 11414 1 119 . 1 1 16 16 ILE CG1 C 13 27.854 0.300 . 1 . . . . 16 ILE CG1 . 11414 1 120 . 1 1 16 16 ILE CG2 C 13 17.856 0.300 . 1 . . . . 16 ILE CG2 . 11414 1 121 . 1 1 16 16 ILE N N 15 120.569 0.300 . 1 . . . . 16 ILE N . 11414 1 122 . 1 1 17 17 PHE H H 1 8.909 0.030 . 1 . . . . 17 PHE H . 11414 1 123 . 1 1 17 17 PHE HA H 1 4.530 0.030 . 1 . . . . 17 PHE HA . 11414 1 124 . 1 1 17 17 PHE HB2 H 1 2.649 0.030 . 2 . . . . 17 PHE HB2 . 11414 1 125 . 1 1 17 17 PHE HB3 H 1 3.161 0.030 . 2 . . . . 17 PHE HB3 . 11414 1 126 . 1 1 17 17 PHE HD1 H 1 7.136 0.030 . 1 . . . . 17 PHE HD1 . 11414 1 127 . 1 1 17 17 PHE HD2 H 1 7.136 0.030 . 1 . . . . 17 PHE HD2 . 11414 1 128 . 1 1 17 17 PHE HE1 H 1 6.747 0.030 . 1 . . . . 17 PHE HE1 . 11414 1 129 . 1 1 17 17 PHE HE2 H 1 6.747 0.030 . 1 . . . . 17 PHE HE2 . 11414 1 130 . 1 1 17 17 PHE HZ H 1 6.159 0.030 . 1 . . . . 17 PHE HZ . 11414 1 131 . 1 1 17 17 PHE C C 13 175.860 0.300 . 1 . . . . 17 PHE C . 11414 1 132 . 1 1 17 17 PHE CA C 13 57.295 0.300 . 1 . . . . 17 PHE CA . 11414 1 133 . 1 1 17 17 PHE CB C 13 43.407 0.300 . 1 . . . . 17 PHE CB . 11414 1 134 . 1 1 17 17 PHE CD1 C 13 131.745 0.300 . 1 . . . . 17 PHE CD1 . 11414 1 135 . 1 1 17 17 PHE CD2 C 13 131.745 0.300 . 1 . . . . 17 PHE CD2 . 11414 1 136 . 1 1 17 17 PHE CE1 C 13 130.816 0.300 . 1 . . . . 17 PHE CE1 . 11414 1 137 . 1 1 17 17 PHE CE2 C 13 130.816 0.300 . 1 . . . . 17 PHE CE2 . 11414 1 138 . 1 1 17 17 PHE CZ C 13 128.330 0.300 . 1 . . . . 17 PHE CZ . 11414 1 139 . 1 1 17 17 PHE N N 15 124.847 0.300 . 1 . . . . 17 PHE N . 11414 1 140 . 1 1 18 18 ARG H H 1 9.106 0.030 . 1 . . . . 18 ARG H . 11414 1 141 . 1 1 18 18 ARG HA H 1 4.131 0.030 . 1 . . . . 18 ARG HA . 11414 1 142 . 1 1 18 18 ARG HB2 H 1 1.690 0.030 . 2 . . . . 18 ARG HB2 . 11414 1 143 . 1 1 18 18 ARG HB3 H 1 1.807 0.030 . 2 . . . . 18 ARG HB3 . 11414 1 144 . 1 1 18 18 ARG HD2 H 1 3.074 0.030 . 1 . . . . 18 ARG HD2 . 11414 1 145 . 1 1 18 18 ARG HD3 H 1 3.074 0.030 . 1 . . . . 18 ARG HD3 . 11414 1 146 . 1 1 18 18 ARG HG2 H 1 1.652 0.030 . 2 . . . . 18 ARG HG2 . 11414 1 147 . 1 1 18 18 ARG HG3 H 1 1.563 0.030 . 2 . . . . 18 ARG HG3 . 11414 1 148 . 1 1 18 18 ARG C C 13 175.810 0.300 . 1 . . . . 18 ARG C . 11414 1 149 . 1 1 18 18 ARG CA C 13 58.709 0.300 . 1 . . . . 18 ARG CA . 11414 1 150 . 1 1 18 18 ARG CB C 13 30.997 0.300 . 1 . . . . 18 ARG CB . 11414 1 151 . 1 1 18 18 ARG CD C 13 43.322 0.300 . 1 . . . . 18 ARG CD . 11414 1 152 . 1 1 18 18 ARG CG C 13 26.775 0.300 . 1 . . . . 18 ARG CG . 11414 1 153 . 1 1 18 18 ARG N N 15 118.537 0.300 . 1 . . . . 18 ARG N . 11414 1 154 . 1 1 19 19 ASP H H 1 7.535 0.030 . 1 . . . . 19 ASP H . 11414 1 155 . 1 1 19 19 ASP HA H 1 4.704 0.030 . 1 . . . . 19 ASP HA . 11414 1 156 . 1 1 19 19 ASP HB2 H 1 3.153 0.030 . 1 . . . . 19 ASP HB2 . 11414 1 157 . 1 1 19 19 ASP HB3 H 1 3.153 0.030 . 1 . . . . 19 ASP HB3 . 11414 1 158 . 1 1 19 19 ASP C C 13 175.924 0.300 . 1 . . . . 19 ASP C . 11414 1 159 . 1 1 19 19 ASP CA C 13 52.735 0.300 . 1 . . . . 19 ASP CA . 11414 1 160 . 1 1 19 19 ASP CB C 13 42.810 0.300 . 1 . . . . 19 ASP CB . 11414 1 161 . 1 1 19 19 ASP N N 15 110.966 0.300 . 1 . . . . 19 ASP N . 11414 1 162 . 1 1 20 20 VAL H H 1 8.578 0.030 . 1 . . . . 20 VAL H . 11414 1 163 . 1 1 20 20 VAL HA H 1 3.818 0.030 . 1 . . . . 20 VAL HA . 11414 1 164 . 1 1 20 20 VAL HB H 1 2.100 0.030 . 1 . . . . 20 VAL HB . 11414 1 165 . 1 1 20 20 VAL HG11 H 1 1.016 0.030 . 1 . . . . 20 VAL HG1 . 11414 1 166 . 1 1 20 20 VAL HG12 H 1 1.016 0.030 . 1 . . . . 20 VAL HG1 . 11414 1 167 . 1 1 20 20 VAL HG13 H 1 1.016 0.030 . 1 . . . . 20 VAL HG1 . 11414 1 168 . 1 1 20 20 VAL HG21 H 1 0.903 0.030 . 1 . . . . 20 VAL HG2 . 11414 1 169 . 1 1 20 20 VAL HG22 H 1 0.903 0.030 . 1 . . . . 20 VAL HG2 . 11414 1 170 . 1 1 20 20 VAL HG23 H 1 0.903 0.030 . 1 . . . . 20 VAL HG2 . 11414 1 171 . 1 1 20 20 VAL C C 13 176.033 0.300 . 1 . . . . 20 VAL C . 11414 1 172 . 1 1 20 20 VAL CA C 13 65.520 0.300 . 1 . . . . 20 VAL CA . 11414 1 173 . 1 1 20 20 VAL CB C 13 31.946 0.300 . 1 . . . . 20 VAL CB . 11414 1 174 . 1 1 20 20 VAL CG1 C 13 21.757 0.300 . 2 . . . . 20 VAL CG1 . 11414 1 175 . 1 1 20 20 VAL CG2 C 13 20.796 0.300 . 2 . . . . 20 VAL CG2 . 11414 1 176 . 1 1 20 20 VAL N N 15 118.036 0.300 . 1 . . . . 20 VAL N . 11414 1 177 . 1 1 21 21 TYR H H 1 8.020 0.030 . 1 . . . . 21 TYR H . 11414 1 178 . 1 1 21 21 TYR HA H 1 4.244 0.030 . 1 . . . . 21 TYR HA . 11414 1 179 . 1 1 21 21 TYR HB2 H 1 3.083 0.030 . 2 . . . . 21 TYR HB2 . 11414 1 180 . 1 1 21 21 TYR HB3 H 1 3.160 0.030 . 2 . . . . 21 TYR HB3 . 11414 1 181 . 1 1 21 21 TYR HD1 H 1 6.889 0.030 . 1 . . . . 21 TYR HD1 . 11414 1 182 . 1 1 21 21 TYR HD2 H 1 6.889 0.030 . 1 . . . . 21 TYR HD2 . 11414 1 183 . 1 1 21 21 TYR HE1 H 1 6.752 0.030 . 1 . . . . 21 TYR HE1 . 11414 1 184 . 1 1 21 21 TYR HE2 H 1 6.752 0.030 . 1 . . . . 21 TYR HE2 . 11414 1 185 . 1 1 21 21 TYR C C 13 179.172 0.300 . 1 . . . . 21 TYR C . 11414 1 186 . 1 1 21 21 TYR CA C 13 61.440 0.300 . 1 . . . . 21 TYR CA . 11414 1 187 . 1 1 21 21 TYR CB C 13 37.260 0.300 . 1 . . . . 21 TYR CB . 11414 1 188 . 1 1 21 21 TYR CD1 C 13 132.970 0.300 . 1 . . . . 21 TYR CD1 . 11414 1 189 . 1 1 21 21 TYR CD2 C 13 132.970 0.300 . 1 . . . . 21 TYR CD2 . 11414 1 190 . 1 1 21 21 TYR CE1 C 13 118.179 0.300 . 1 . . . . 21 TYR CE1 . 11414 1 191 . 1 1 21 21 TYR CE2 C 13 118.179 0.300 . 1 . . . . 21 TYR CE2 . 11414 1 192 . 1 1 21 21 TYR N N 15 122.935 0.300 . 1 . . . . 21 TYR N . 11414 1 193 . 1 1 22 22 HIS H H 1 8.677 0.030 . 1 . . . . 22 HIS H . 11414 1 194 . 1 1 22 22 HIS HA H 1 4.106 0.030 . 1 . . . . 22 HIS HA . 11414 1 195 . 1 1 22 22 HIS HB2 H 1 3.281 0.030 . 2 . . . . 22 HIS HB2 . 11414 1 196 . 1 1 22 22 HIS HB3 H 1 3.492 0.030 . 2 . . . . 22 HIS HB3 . 11414 1 197 . 1 1 22 22 HIS HE1 H 1 7.995 0.030 . 1 . . . . 22 HIS HE1 . 11414 1 198 . 1 1 22 22 HIS C C 13 178.801 0.300 . 1 . . . . 22 HIS C . 11414 1 199 . 1 1 22 22 HIS CA C 13 60.734 0.300 . 1 . . . . 22 HIS CA . 11414 1 200 . 1 1 22 22 HIS CB C 13 30.558 0.300 . 1 . . . . 22 HIS CB . 11414 1 201 . 1 1 22 22 HIS CE1 C 13 138.905 0.300 . 1 . . . . 22 HIS CE1 . 11414 1 202 . 1 1 22 22 HIS N N 15 118.623 0.300 . 1 . . . . 22 HIS N . 11414 1 203 . 1 1 23 23 LEU H H 1 8.196 0.030 . 1 . . . . 23 LEU H . 11414 1 204 . 1 1 23 23 LEU HA H 1 3.371 0.030 . 1 . . . . 23 LEU HA . 11414 1 205 . 1 1 23 23 LEU HB2 H 1 2.044 0.030 . 2 . . . . 23 LEU HB2 . 11414 1 206 . 1 1 23 23 LEU HB3 H 1 1.408 0.030 . 2 . . . . 23 LEU HB3 . 11414 1 207 . 1 1 23 23 LEU HD11 H 1 0.997 0.030 . 1 . . . . 23 LEU HD1 . 11414 1 208 . 1 1 23 23 LEU HD12 H 1 0.997 0.030 . 1 . . . . 23 LEU HD1 . 11414 1 209 . 1 1 23 23 LEU HD13 H 1 0.997 0.030 . 1 . . . . 23 LEU HD1 . 11414 1 210 . 1 1 23 23 LEU HD21 H 1 0.990 0.030 . 1 . . . . 23 LEU HD2 . 11414 1 211 . 1 1 23 23 LEU HD22 H 1 0.990 0.030 . 1 . . . . 23 LEU HD2 . 11414 1 212 . 1 1 23 23 LEU HD23 H 1 0.990 0.030 . 1 . . . . 23 LEU HD2 . 11414 1 213 . 1 1 23 23 LEU HG H 1 1.530 0.030 . 1 . . . . 23 LEU HG . 11414 1 214 . 1 1 23 23 LEU C C 13 177.694 0.300 . 1 . . . . 23 LEU C . 11414 1 215 . 1 1 23 23 LEU CA C 13 58.140 0.300 . 1 . . . . 23 LEU CA . 11414 1 216 . 1 1 23 23 LEU CB C 13 41.269 0.300 . 1 . . . . 23 LEU CB . 11414 1 217 . 1 1 23 23 LEU CD1 C 13 26.334 0.300 . 2 . . . . 23 LEU CD1 . 11414 1 218 . 1 1 23 23 LEU CD2 C 13 23.118 0.300 . 2 . . . . 23 LEU CD2 . 11414 1 219 . 1 1 23 23 LEU CG C 13 27.442 0.300 . 1 . . . . 23 LEU CG . 11414 1 220 . 1 1 23 23 LEU N N 15 122.722 0.300 . 1 . . . . 23 LEU N . 11414 1 221 . 1 1 24 24 ASN H H 1 8.881 0.030 . 1 . . . . 24 ASN H . 11414 1 222 . 1 1 24 24 ASN HA H 1 4.344 0.030 . 1 . . . . 24 ASN HA . 11414 1 223 . 1 1 24 24 ASN HB2 H 1 2.935 0.030 . 2 . . . . 24 ASN HB2 . 11414 1 224 . 1 1 24 24 ASN HB3 H 1 2.720 0.030 . 2 . . . . 24 ASN HB3 . 11414 1 225 . 1 1 24 24 ASN HD21 H 1 6.841 0.030 . 2 . . . . 24 ASN HD21 . 11414 1 226 . 1 1 24 24 ASN HD22 H 1 7.497 0.030 . 2 . . . . 24 ASN HD22 . 11414 1 227 . 1 1 24 24 ASN C C 13 178.549 0.300 . 1 . . . . 24 ASN C . 11414 1 228 . 1 1 24 24 ASN CA C 13 56.637 0.300 . 1 . . . . 24 ASN CA . 11414 1 229 . 1 1 24 24 ASN CB C 13 37.134 0.300 . 1 . . . . 24 ASN CB . 11414 1 230 . 1 1 24 24 ASN N N 15 119.084 0.300 . 1 . . . . 24 ASN N . 11414 1 231 . 1 1 24 24 ASN ND2 N 15 110.599 0.300 . 1 . . . . 24 ASN ND2 . 11414 1 232 . 1 1 25 25 ARG H H 1 7.409 0.030 . 1 . . . . 25 ARG H . 11414 1 233 . 1 1 25 25 ARG HA H 1 4.027 0.030 . 1 . . . . 25 ARG HA . 11414 1 234 . 1 1 25 25 ARG HB2 H 1 1.736 0.030 . 2 . . . . 25 ARG HB2 . 11414 1 235 . 1 1 25 25 ARG HB3 H 1 1.844 0.030 . 2 . . . . 25 ARG HB3 . 11414 1 236 . 1 1 25 25 ARG HD2 H 1 3.069 0.030 . 1 . . . . 25 ARG HD2 . 11414 1 237 . 1 1 25 25 ARG HD3 H 1 3.069 0.030 . 1 . . . . 25 ARG HD3 . 11414 1 238 . 1 1 25 25 ARG HE H 1 6.741 0.030 . 1 . . . . 25 ARG HE . 11414 1 239 . 1 1 25 25 ARG HG2 H 1 1.615 0.030 . 2 . . . . 25 ARG HG2 . 11414 1 240 . 1 1 25 25 ARG HG3 H 1 1.514 0.030 . 2 . . . . 25 ARG HG3 . 11414 1 241 . 1 1 25 25 ARG C C 13 178.986 0.300 . 1 . . . . 25 ARG C . 11414 1 242 . 1 1 25 25 ARG CA C 13 58.996 0.300 . 1 . . . . 25 ARG CA . 11414 1 243 . 1 1 25 25 ARG CB C 13 29.877 0.300 . 1 . . . . 25 ARG CB . 11414 1 244 . 1 1 25 25 ARG CD C 13 43.099 0.300 . 1 . . . . 25 ARG CD . 11414 1 245 . 1 1 25 25 ARG CG C 13 27.064 0.300 . 1 . . . . 25 ARG CG . 11414 1 246 . 1 1 25 25 ARG N N 15 119.266 0.300 . 1 . . . . 25 ARG N . 11414 1 247 . 1 1 26 26 HIS H H 1 7.634 0.030 . 1 . . . . 26 HIS H . 11414 1 248 . 1 1 26 26 HIS HA H 1 4.271 0.030 . 1 . . . . 26 HIS HA . 11414 1 249 . 1 1 26 26 HIS HB2 H 1 2.655 0.030 . 2 . . . . 26 HIS HB2 . 11414 1 250 . 1 1 26 26 HIS HB3 H 1 2.981 0.030 . 2 . . . . 26 HIS HB3 . 11414 1 251 . 1 1 26 26 HIS HD2 H 1 6.714 0.030 . 1 . . . . 26 HIS HD2 . 11414 1 252 . 1 1 26 26 HIS HE1 H 1 7.962 0.030 . 1 . . . . 26 HIS HE1 . 11414 1 253 . 1 1 26 26 HIS C C 13 178.143 0.300 . 1 . . . . 26 HIS C . 11414 1 254 . 1 1 26 26 HIS CA C 13 58.764 0.300 . 1 . . . . 26 HIS CA . 11414 1 255 . 1 1 26 26 HIS CB C 13 27.443 0.300 . 1 . . . . 26 HIS CB . 11414 1 256 . 1 1 26 26 HIS CD2 C 13 127.406 0.300 . 1 . . . . 26 HIS CD2 . 11414 1 257 . 1 1 26 26 HIS CE1 C 13 139.080 0.300 . 1 . . . . 26 HIS CE1 . 11414 1 258 . 1 1 26 26 HIS N N 15 119.823 0.300 . 1 . . . . 26 HIS N . 11414 1 259 . 1 1 27 27 LYS H H 1 8.670 0.030 . 1 . . . . 27 LYS H . 11414 1 260 . 1 1 27 27 LYS HA H 1 3.567 0.030 . 1 . . . . 27 LYS HA . 11414 1 261 . 1 1 27 27 LYS HB2 H 1 1.980 0.030 . 1 . . . . 27 LYS HB2 . 11414 1 262 . 1 1 27 27 LYS HB3 H 1 1.980 0.030 . 1 . . . . 27 LYS HB3 . 11414 1 263 . 1 1 27 27 LYS HD2 H 1 1.730 0.030 . 1 . . . . 27 LYS HD2 . 11414 1 264 . 1 1 27 27 LYS HD3 H 1 1.730 0.030 . 1 . . . . 27 LYS HD3 . 11414 1 265 . 1 1 27 27 LYS HE2 H 1 3.171 0.030 . 2 . . . . 27 LYS HE2 . 11414 1 266 . 1 1 27 27 LYS HE3 H 1 3.023 0.030 . 2 . . . . 27 LYS HE3 . 11414 1 267 . 1 1 27 27 LYS HG2 H 1 1.772 0.030 . 2 . . . . 27 LYS HG2 . 11414 1 268 . 1 1 27 27 LYS HG3 H 1 1.968 0.030 . 2 . . . . 27 LYS HG3 . 11414 1 269 . 1 1 27 27 LYS C C 13 178.247 0.300 . 1 . . . . 27 LYS C . 11414 1 270 . 1 1 27 27 LYS CA C 13 60.620 0.300 . 1 . . . . 27 LYS CA . 11414 1 271 . 1 1 27 27 LYS CB C 13 32.152 0.300 . 1 . . . . 27 LYS CB . 11414 1 272 . 1 1 27 27 LYS CD C 13 29.858 0.300 . 1 . . . . 27 LYS CD . 11414 1 273 . 1 1 27 27 LYS CE C 13 41.886 0.300 . 1 . . . . 27 LYS CE . 11414 1 274 . 1 1 27 27 LYS CG C 13 27.126 0.300 . 1 . . . . 27 LYS CG . 11414 1 275 . 1 1 27 27 LYS N N 15 120.304 0.300 . 1 . . . . 27 LYS N . 11414 1 276 . 1 1 28 28 LEU H H 1 7.095 0.030 . 1 . . . . 28 LEU H . 11414 1 277 . 1 1 28 28 LEU HA H 1 4.120 0.030 . 1 . . . . 28 LEU HA . 11414 1 278 . 1 1 28 28 LEU HB2 H 1 1.797 0.030 . 2 . . . . 28 LEU HB2 . 11414 1 279 . 1 1 28 28 LEU HB3 H 1 1.561 0.030 . 2 . . . . 28 LEU HB3 . 11414 1 280 . 1 1 28 28 LEU HD11 H 1 0.967 0.030 . 1 . . . . 28 LEU HD1 . 11414 1 281 . 1 1 28 28 LEU HD12 H 1 0.967 0.030 . 1 . . . . 28 LEU HD1 . 11414 1 282 . 1 1 28 28 LEU HD13 H 1 0.967 0.030 . 1 . . . . 28 LEU HD1 . 11414 1 283 . 1 1 28 28 LEU HD21 H 1 0.881 0.030 . 1 . . . . 28 LEU HD2 . 11414 1 284 . 1 1 28 28 LEU HD22 H 1 0.881 0.030 . 1 . . . . 28 LEU HD2 . 11414 1 285 . 1 1 28 28 LEU HD23 H 1 0.881 0.030 . 1 . . . . 28 LEU HD2 . 11414 1 286 . 1 1 28 28 LEU HG H 1 1.864 0.030 . 1 . . . . 28 LEU HG . 11414 1 287 . 1 1 28 28 LEU C C 13 179.036 0.300 . 1 . . . . 28 LEU C . 11414 1 288 . 1 1 28 28 LEU CA C 13 57.396 0.300 . 1 . . . . 28 LEU CA . 11414 1 289 . 1 1 28 28 LEU CB C 13 41.343 0.300 . 1 . . . . 28 LEU CB . 11414 1 290 . 1 1 28 28 LEU CD1 C 13 25.156 0.300 . 2 . . . . 28 LEU CD1 . 11414 1 291 . 1 1 28 28 LEU CD2 C 13 22.654 0.300 . 2 . . . . 28 LEU CD2 . 11414 1 292 . 1 1 28 28 LEU CG C 13 26.734 0.300 . 1 . . . . 28 LEU CG . 11414 1 293 . 1 1 28 28 LEU N N 15 118.989 0.300 . 1 . . . . 28 LEU N . 11414 1 294 . 1 1 29 29 SER H H 1 7.908 0.030 . 1 . . . . 29 SER H . 11414 1 295 . 1 1 29 29 SER HA H 1 4.210 0.030 . 1 . . . . 29 SER HA . 11414 1 296 . 1 1 29 29 SER HB2 H 1 3.722 0.030 . 2 . . . . 29 SER HB2 . 11414 1 297 . 1 1 29 29 SER HB3 H 1 3.823 0.030 . 2 . . . . 29 SER HB3 . 11414 1 298 . 1 1 29 29 SER C C 13 174.980 0.300 . 1 . . . . 29 SER C . 11414 1 299 . 1 1 29 29 SER CA C 13 60.604 0.300 . 1 . . . . 29 SER CA . 11414 1 300 . 1 1 29 29 SER CB C 13 63.288 0.300 . 1 . . . . 29 SER CB . 11414 1 301 . 1 1 29 29 SER N N 15 114.008 0.300 . 1 . . . . 29 SER N . 11414 1 302 . 1 1 30 30 HIS H H 1 7.301 0.030 . 1 . . . . 30 HIS H . 11414 1 303 . 1 1 30 30 HIS HA H 1 4.974 0.030 . 1 . . . . 30 HIS HA . 11414 1 304 . 1 1 30 30 HIS HB2 H 1 3.142 0.030 . 2 . . . . 30 HIS HB2 . 11414 1 305 . 1 1 30 30 HIS HB3 H 1 3.323 0.030 . 2 . . . . 30 HIS HB3 . 11414 1 306 . 1 1 30 30 HIS HD2 H 1 6.498 0.030 . 1 . . . . 30 HIS HD2 . 11414 1 307 . 1 1 30 30 HIS HE1 H 1 8.118 0.030 . 1 . . . . 30 HIS HE1 . 11414 1 308 . 1 1 30 30 HIS CA C 13 55.168 0.300 . 1 . . . . 30 HIS CA . 11414 1 309 . 1 1 30 30 HIS CB C 13 28.801 0.300 . 1 . . . . 30 HIS CB . 11414 1 310 . 1 1 30 30 HIS CD2 C 13 126.957 0.300 . 1 . . . . 30 HIS CD2 . 11414 1 311 . 1 1 30 30 HIS CE1 C 13 140.306 0.300 . 1 . . . . 30 HIS CE1 . 11414 1 312 . 1 1 30 30 HIS N N 15 118.870 0.300 . 1 . . . . 30 HIS N . 11414 1 313 . 1 1 32 32 GLY H H 1 8.749 0.030 . 1 . . . . 32 GLY H . 11414 1 314 . 1 1 32 32 GLY HA2 H 1 4.041 0.030 . 1 . . . . 32 GLY HA2 . 11414 1 315 . 1 1 32 32 GLY HA3 H 1 4.041 0.030 . 1 . . . . 32 GLY HA3 . 11414 1 316 . 1 1 32 32 GLY C C 13 174.080 0.300 . 1 . . . . 32 GLY C . 11414 1 317 . 1 1 32 32 GLY CA C 13 45.386 0.300 . 1 . . . . 32 GLY CA . 11414 1 318 . 1 1 33 33 GLU H H 1 7.993 0.030 . 1 . . . . 33 GLU H . 11414 1 319 . 1 1 33 33 GLU HA H 1 4.209 0.030 . 1 . . . . 33 GLU HA . 11414 1 320 . 1 1 33 33 GLU HB2 H 1 2.023 0.030 . 1 . . . . 33 GLU HB2 . 11414 1 321 . 1 1 33 33 GLU HB3 H 1 2.023 0.030 . 1 . . . . 33 GLU HB3 . 11414 1 322 . 1 1 33 33 GLU HG2 H 1 2.267 0.030 . 2 . . . . 33 GLU HG2 . 11414 1 323 . 1 1 33 33 GLU HG3 H 1 2.310 0.030 . 2 . . . . 33 GLU HG3 . 11414 1 324 . 1 1 33 33 GLU C C 13 176.312 0.300 . 1 . . . . 33 GLU C . 11414 1 325 . 1 1 33 33 GLU CA C 13 57.131 0.300 . 1 . . . . 33 GLU CA . 11414 1 326 . 1 1 33 33 GLU CB C 13 30.544 0.300 . 1 . . . . 33 GLU CB . 11414 1 327 . 1 1 33 33 GLU CG C 13 36.406 0.300 . 1 . . . . 33 GLU CG . 11414 1 328 . 1 1 33 33 GLU N N 15 119.901 0.300 . 1 . . . . 33 GLU N . 11414 1 329 . 1 1 34 34 LYS H H 1 8.258 0.030 . 1 . . . . 34 LYS H . 11414 1 330 . 1 1 34 34 LYS HA H 1 4.604 0.030 . 1 . . . . 34 LYS HA . 11414 1 331 . 1 1 34 34 LYS HB2 H 1 1.700 0.030 . 2 . . . . 34 LYS HB2 . 11414 1 332 . 1 1 34 34 LYS HB3 H 1 1.471 0.030 . 2 . . . . 34 LYS HB3 . 11414 1 333 . 1 1 34 34 LYS HD2 H 1 1.510 0.030 . 1 . . . . 34 LYS HD2 . 11414 1 334 . 1 1 34 34 LYS HD3 H 1 1.510 0.030 . 1 . . . . 34 LYS HD3 . 11414 1 335 . 1 1 34 34 LYS HE2 H 1 2.926 0.030 . 1 . . . . 34 LYS HE2 . 11414 1 336 . 1 1 34 34 LYS HE3 H 1 2.926 0.030 . 1 . . . . 34 LYS HE3 . 11414 1 337 . 1 1 34 34 LYS HG2 H 1 1.171 0.030 . 2 . . . . 34 LYS HG2 . 11414 1 338 . 1 1 34 34 LYS HG3 H 1 1.398 0.030 . 2 . . . . 34 LYS HG3 . 11414 1 339 . 1 1 34 34 LYS C C 13 173.967 0.300 . 1 . . . . 34 LYS C . 11414 1 340 . 1 1 34 34 LYS CA C 13 53.841 0.300 . 1 . . . . 34 LYS CA . 11414 1 341 . 1 1 34 34 LYS CB C 13 33.821 0.300 . 1 . . . . 34 LYS CB . 11414 1 342 . 1 1 34 34 LYS CD C 13 29.963 0.300 . 1 . . . . 34 LYS CD . 11414 1 343 . 1 1 34 34 LYS CE C 13 42.380 0.300 . 1 . . . . 34 LYS CE . 11414 1 344 . 1 1 34 34 LYS CG C 13 25.374 0.300 . 1 . . . . 34 LYS CG . 11414 1 345 . 1 1 34 34 LYS N N 15 120.460 0.300 . 1 . . . . 34 LYS N . 11414 1 346 . 1 1 35 35 PRO HA H 1 4.302 0.030 . 1 . . . . 35 PRO HA . 11414 1 347 . 1 1 35 35 PRO HB2 H 1 1.172 0.030 . 2 . . . . 35 PRO HB2 . 11414 1 348 . 1 1 35 35 PRO HB3 H 1 2.070 0.030 . 2 . . . . 35 PRO HB3 . 11414 1 349 . 1 1 35 35 PRO HD2 H 1 3.736 0.030 . 1 . . . . 35 PRO HD2 . 11414 1 350 . 1 1 35 35 PRO HD3 H 1 3.736 0.030 . 1 . . . . 35 PRO HD3 . 11414 1 351 . 1 1 35 35 PRO HG2 H 1 1.812 0.030 . 2 . . . . 35 PRO HG2 . 11414 1 352 . 1 1 35 35 PRO HG3 H 1 1.545 0.030 . 2 . . . . 35 PRO HG3 . 11414 1 353 . 1 1 35 35 PRO C C 13 176.319 0.300 . 1 . . . . 35 PRO C . 11414 1 354 . 1 1 35 35 PRO CA C 13 63.758 0.300 . 1 . . . . 35 PRO CA . 11414 1 355 . 1 1 35 35 PRO CB C 13 32.551 0.300 . 1 . . . . 35 PRO CB . 11414 1 356 . 1 1 35 35 PRO CD C 13 50.646 0.300 . 1 . . . . 35 PRO CD . 11414 1 357 . 1 1 35 35 PRO CG C 13 26.566 0.300 . 1 . . . . 35 PRO CG . 11414 1 358 . 1 1 36 36 TYR H H 1 7.766 0.030 . 1 . . . . 36 TYR H . 11414 1 359 . 1 1 36 36 TYR HA H 1 4.852 0.030 . 1 . . . . 36 TYR HA . 11414 1 360 . 1 1 36 36 TYR HB2 H 1 3.256 0.030 . 2 . . . . 36 TYR HB2 . 11414 1 361 . 1 1 36 36 TYR HB3 H 1 2.769 0.030 . 2 . . . . 36 TYR HB3 . 11414 1 362 . 1 1 36 36 TYR HD1 H 1 7.019 0.030 . 1 . . . . 36 TYR HD1 . 11414 1 363 . 1 1 36 36 TYR HD2 H 1 7.019 0.030 . 1 . . . . 36 TYR HD2 . 11414 1 364 . 1 1 36 36 TYR HE1 H 1 6.930 0.030 . 1 . . . . 36 TYR HE1 . 11414 1 365 . 1 1 36 36 TYR HE2 H 1 6.930 0.030 . 1 . . . . 36 TYR HE2 . 11414 1 366 . 1 1 36 36 TYR C C 13 174.968 0.300 . 1 . . . . 36 TYR C . 11414 1 367 . 1 1 36 36 TYR CA C 13 57.002 0.300 . 1 . . . . 36 TYR CA . 11414 1 368 . 1 1 36 36 TYR CB C 13 39.671 0.300 . 1 . . . . 36 TYR CB . 11414 1 369 . 1 1 36 36 TYR CD1 C 13 133.101 0.300 . 1 . . . . 36 TYR CD1 . 11414 1 370 . 1 1 36 36 TYR CD2 C 13 133.101 0.300 . 1 . . . . 36 TYR CD2 . 11414 1 371 . 1 1 36 36 TYR CE1 C 13 118.497 0.300 . 1 . . . . 36 TYR CE1 . 11414 1 372 . 1 1 36 36 TYR CE2 C 13 118.497 0.300 . 1 . . . . 36 TYR CE2 . 11414 1 373 . 1 1 36 36 TYR N N 15 117.739 0.300 . 1 . . . . 36 TYR N . 11414 1 374 . 1 1 37 37 SER H H 1 8.739 0.030 . 1 . . . . 37 SER H . 11414 1 375 . 1 1 37 37 SER HA H 1 5.342 0.030 . 1 . . . . 37 SER HA . 11414 1 376 . 1 1 37 37 SER HB2 H 1 3.579 0.030 . 2 . . . . 37 SER HB2 . 11414 1 377 . 1 1 37 37 SER HB3 H 1 3.627 0.030 . 2 . . . . 37 SER HB3 . 11414 1 378 . 1 1 37 37 SER C C 13 173.066 0.300 . 1 . . . . 37 SER C . 11414 1 379 . 1 1 37 37 SER CA C 13 56.372 0.300 . 1 . . . . 37 SER CA . 11414 1 380 . 1 1 37 37 SER CB C 13 65.660 0.300 . 1 . . . . 37 SER CB . 11414 1 381 . 1 1 37 37 SER N N 15 116.801 0.300 . 1 . . . . 37 SER N . 11414 1 382 . 1 1 38 38 CYS H H 1 9.323 0.030 . 1 . . . . 38 CYS H . 11414 1 383 . 1 1 38 38 CYS HA H 1 4.855 0.030 . 1 . . . . 38 CYS HA . 11414 1 384 . 1 1 38 38 CYS HB2 H 1 3.103 0.030 . 2 . . . . 38 CYS HB2 . 11414 1 385 . 1 1 38 38 CYS HB3 H 1 3.502 0.030 . 2 . . . . 38 CYS HB3 . 11414 1 386 . 1 1 38 38 CYS C C 13 176.377 0.300 . 1 . . . . 38 CYS C . 11414 1 387 . 1 1 38 38 CYS CA C 13 57.326 0.300 . 1 . . . . 38 CYS CA . 11414 1 388 . 1 1 38 38 CYS CB C 13 30.811 0.300 . 1 . . . . 38 CYS CB . 11414 1 389 . 1 1 38 38 CYS N N 15 127.390 0.300 . 1 . . . . 38 CYS N . 11414 1 390 . 1 1 39 39 PRO HA H 1 4.545 0.030 . 1 . . . . 39 PRO HA . 11414 1 391 . 1 1 39 39 PRO HB2 H 1 2.445 0.030 . 2 . . . . 39 PRO HB2 . 11414 1 392 . 1 1 39 39 PRO HB3 H 1 2.101 0.030 . 2 . . . . 39 PRO HB3 . 11414 1 393 . 1 1 39 39 PRO HD2 H 1 4.221 0.030 . 2 . . . . 39 PRO HD2 . 11414 1 394 . 1 1 39 39 PRO HD3 H 1 4.299 0.030 . 2 . . . . 39 PRO HD3 . 11414 1 395 . 1 1 39 39 PRO HG2 H 1 2.085 0.030 . 2 . . . . 39 PRO HG2 . 11414 1 396 . 1 1 39 39 PRO HG3 H 1 2.244 0.030 . 2 . . . . 39 PRO HG3 . 11414 1 397 . 1 1 39 39 PRO C C 13 176.460 0.300 . 1 . . . . 39 PRO C . 11414 1 398 . 1 1 39 39 PRO CA C 13 64.409 0.300 . 1 . . . . 39 PRO CA . 11414 1 399 . 1 1 39 39 PRO CB C 13 32.414 0.300 . 1 . . . . 39 PRO CB . 11414 1 400 . 1 1 39 39 PRO CD C 13 51.824 0.300 . 1 . . . . 39 PRO CD . 11414 1 401 . 1 1 39 39 PRO CG C 13 26.996 0.300 . 1 . . . . 39 PRO CG . 11414 1 402 . 1 1 40 40 VAL H H 1 8.935 0.030 . 1 . . . . 40 VAL H . 11414 1 403 . 1 1 40 40 VAL HA H 1 3.862 0.030 . 1 . . . . 40 VAL HA . 11414 1 404 . 1 1 40 40 VAL HB H 1 1.303 0.030 . 1 . . . . 40 VAL HB . 11414 1 405 . 1 1 40 40 VAL HG11 H 1 0.806 0.030 . 1 . . . . 40 VAL HG1 . 11414 1 406 . 1 1 40 40 VAL HG12 H 1 0.806 0.030 . 1 . . . . 40 VAL HG1 . 11414 1 407 . 1 1 40 40 VAL HG13 H 1 0.806 0.030 . 1 . . . . 40 VAL HG1 . 11414 1 408 . 1 1 40 40 VAL HG21 H 1 0.318 0.030 . 1 . . . . 40 VAL HG2 . 11414 1 409 . 1 1 40 40 VAL HG22 H 1 0.318 0.030 . 1 . . . . 40 VAL HG2 . 11414 1 410 . 1 1 40 40 VAL HG23 H 1 0.318 0.030 . 1 . . . . 40 VAL HG2 . 11414 1 411 . 1 1 40 40 VAL C C 13 176.881 0.300 . 1 . . . . 40 VAL C . 11414 1 412 . 1 1 40 40 VAL CA C 13 64.835 0.300 . 1 . . . . 40 VAL CA . 11414 1 413 . 1 1 40 40 VAL CB C 13 33.110 0.300 . 1 . . . . 40 VAL CB . 11414 1 414 . 1 1 40 40 VAL CG1 C 13 21.141 0.300 . 2 . . . . 40 VAL CG1 . 11414 1 415 . 1 1 40 40 VAL CG2 C 13 20.027 0.300 . 2 . . . . 40 VAL CG2 . 11414 1 416 . 1 1 40 40 VAL N N 15 121.723 0.300 . 1 . . . . 40 VAL N . 11414 1 417 . 1 1 41 41 CYS H H 1 8.409 0.030 . 1 . . . . 41 CYS H . 11414 1 418 . 1 1 41 41 CYS HA H 1 5.174 0.030 . 1 . . . . 41 CYS HA . 11414 1 419 . 1 1 41 41 CYS HB2 H 1 3.490 0.030 . 2 . . . . 41 CYS HB2 . 11414 1 420 . 1 1 41 41 CYS HB3 H 1 2.736 0.030 . 2 . . . . 41 CYS HB3 . 11414 1 421 . 1 1 41 41 CYS C C 13 176.608 0.300 . 1 . . . . 41 CYS C . 11414 1 422 . 1 1 41 41 CYS CA C 13 58.453 0.300 . 1 . . . . 41 CYS CA . 11414 1 423 . 1 1 41 41 CYS CB C 13 32.949 0.300 . 1 . . . . 41 CYS CB . 11414 1 424 . 1 1 41 41 CYS N N 15 116.885 0.300 . 1 . . . . 41 CYS N . 11414 1 425 . 1 1 42 42 GLY H H 1 8.120 0.030 . 1 . . . . 42 GLY H . 11414 1 426 . 1 1 42 42 GLY HA2 H 1 4.258 0.030 . 2 . . . . 42 GLY HA2 . 11414 1 427 . 1 1 42 42 GLY HA3 H 1 3.873 0.030 . 2 . . . . 42 GLY HA3 . 11414 1 428 . 1 1 42 42 GLY C C 13 173.659 0.300 . 1 . . . . 42 GLY C . 11414 1 429 . 1 1 42 42 GLY CA C 13 46.294 0.300 . 1 . . . . 42 GLY CA . 11414 1 430 . 1 1 42 42 GLY N N 15 112.835 0.300 . 1 . . . . 42 GLY N . 11414 1 431 . 1 1 43 43 LEU H H 1 8.020 0.030 . 1 . . . . 43 LEU H . 11414 1 432 . 1 1 43 43 LEU HA H 1 4.060 0.030 . 1 . . . . 43 LEU HA . 11414 1 433 . 1 1 43 43 LEU HB2 H 1 1.128 0.030 . 2 . . . . 43 LEU HB2 . 11414 1 434 . 1 1 43 43 LEU HB3 H 1 1.478 0.030 . 2 . . . . 43 LEU HB3 . 11414 1 435 . 1 1 43 43 LEU HD11 H 1 0.564 0.030 . 1 . . . . 43 LEU HD1 . 11414 1 436 . 1 1 43 43 LEU HD12 H 1 0.564 0.030 . 1 . . . . 43 LEU HD1 . 11414 1 437 . 1 1 43 43 LEU HD13 H 1 0.564 0.030 . 1 . . . . 43 LEU HD1 . 11414 1 438 . 1 1 43 43 LEU HD21 H 1 0.779 0.030 . 1 . . . . 43 LEU HD2 . 11414 1 439 . 1 1 43 43 LEU HD22 H 1 0.779 0.030 . 1 . . . . 43 LEU HD2 . 11414 1 440 . 1 1 43 43 LEU HD23 H 1 0.779 0.030 . 1 . . . . 43 LEU HD2 . 11414 1 441 . 1 1 43 43 LEU HG H 1 1.341 0.030 . 1 . . . . 43 LEU HG . 11414 1 442 . 1 1 43 43 LEU C C 13 175.504 0.300 . 1 . . . . 43 LEU C . 11414 1 443 . 1 1 43 43 LEU CA C 13 56.841 0.300 . 1 . . . . 43 LEU CA . 11414 1 444 . 1 1 43 43 LEU CB C 13 43.527 0.300 . 1 . . . . 43 LEU CB . 11414 1 445 . 1 1 43 43 LEU CD1 C 13 24.797 0.300 . 2 . . . . 43 LEU CD1 . 11414 1 446 . 1 1 43 43 LEU CD2 C 13 23.867 0.300 . 2 . . . . 43 LEU CD2 . 11414 1 447 . 1 1 43 43 LEU CG C 13 26.460 0.300 . 1 . . . . 43 LEU CG . 11414 1 448 . 1 1 43 43 LEU N N 15 124.664 0.300 . 1 . . . . 43 LEU N . 11414 1 449 . 1 1 44 44 ARG H H 1 7.801 0.030 . 1 . . . . 44 ARG H . 11414 1 450 . 1 1 44 44 ARG HA H 1 5.214 0.030 . 1 . . . . 44 ARG HA . 11414 1 451 . 1 1 44 44 ARG HB2 H 1 1.829 0.030 . 2 . . . . 44 ARG HB2 . 11414 1 452 . 1 1 44 44 ARG HB3 H 1 1.577 0.030 . 2 . . . . 44 ARG HB3 . 11414 1 453 . 1 1 44 44 ARG HD2 H 1 3.182 0.030 . 2 . . . . 44 ARG HD2 . 11414 1 454 . 1 1 44 44 ARG HD3 H 1 3.273 0.030 . 2 . . . . 44 ARG HD3 . 11414 1 455 . 1 1 44 44 ARG HG2 H 1 1.476 0.030 . 2 . . . . 44 ARG HG2 . 11414 1 456 . 1 1 44 44 ARG HG3 H 1 1.861 0.030 . 2 . . . . 44 ARG HG3 . 11414 1 457 . 1 1 44 44 ARG C C 13 176.025 0.300 . 1 . . . . 44 ARG C . 11414 1 458 . 1 1 44 44 ARG CA C 13 55.393 0.300 . 1 . . . . 44 ARG CA . 11414 1 459 . 1 1 44 44 ARG CB C 13 32.861 0.300 . 1 . . . . 44 ARG CB . 11414 1 460 . 1 1 44 44 ARG CD C 13 43.353 0.300 . 1 . . . . 44 ARG CD . 11414 1 461 . 1 1 44 44 ARG CG C 13 28.359 0.300 . 1 . . . . 44 ARG CG . 11414 1 462 . 1 1 44 44 ARG N N 15 121.043 0.300 . 1 . . . . 44 ARG N . 11414 1 463 . 1 1 45 45 PHE H H 1 8.888 0.030 . 1 . . . . 45 PHE H . 11414 1 464 . 1 1 45 45 PHE HA H 1 4.695 0.030 . 1 . . . . 45 PHE HA . 11414 1 465 . 1 1 45 45 PHE HB2 H 1 2.605 0.030 . 2 . . . . 45 PHE HB2 . 11414 1 466 . 1 1 45 45 PHE HB3 H 1 3.512 0.030 . 2 . . . . 45 PHE HB3 . 11414 1 467 . 1 1 45 45 PHE HD1 H 1 7.291 0.030 . 1 . . . . 45 PHE HD1 . 11414 1 468 . 1 1 45 45 PHE HD2 H 1 7.291 0.030 . 1 . . . . 45 PHE HD2 . 11414 1 469 . 1 1 45 45 PHE HE1 H 1 6.943 0.030 . 1 . . . . 45 PHE HE1 . 11414 1 470 . 1 1 45 45 PHE HE2 H 1 6.943 0.030 . 1 . . . . 45 PHE HE2 . 11414 1 471 . 1 1 45 45 PHE HZ H 1 6.559 0.030 . 1 . . . . 45 PHE HZ . 11414 1 472 . 1 1 45 45 PHE C C 13 174.780 0.300 . 1 . . . . 45 PHE C . 11414 1 473 . 1 1 45 45 PHE CA C 13 57.438 0.300 . 1 . . . . 45 PHE CA . 11414 1 474 . 1 1 45 45 PHE CB C 13 44.086 0.300 . 1 . . . . 45 PHE CB . 11414 1 475 . 1 1 45 45 PHE CD1 C 13 132.316 0.300 . 1 . . . . 45 PHE CD1 . 11414 1 476 . 1 1 45 45 PHE CD2 C 13 132.316 0.300 . 1 . . . . 45 PHE CD2 . 11414 1 477 . 1 1 45 45 PHE CE1 C 13 130.706 0.300 . 1 . . . . 45 PHE CE1 . 11414 1 478 . 1 1 45 45 PHE CE2 C 13 130.706 0.300 . 1 . . . . 45 PHE CE2 . 11414 1 479 . 1 1 45 45 PHE CZ C 13 129.441 0.300 . 1 . . . . 45 PHE CZ . 11414 1 480 . 1 1 45 45 PHE N N 15 117.283 0.300 . 1 . . . . 45 PHE N . 11414 1 481 . 1 1 46 46 LYS H H 1 7.767 0.030 . 1 . . . . 46 LYS H . 11414 1 482 . 1 1 46 46 LYS HA H 1 4.627 0.030 . 1 . . . . 46 LYS HA . 11414 1 483 . 1 1 46 46 LYS HB2 H 1 2.148 0.030 . 2 . . . . 46 LYS HB2 . 11414 1 484 . 1 1 46 46 LYS HB3 H 1 2.092 0.030 . 2 . . . . 46 LYS HB3 . 11414 1 485 . 1 1 46 46 LYS HD2 H 1 1.836 0.030 . 1 . . . . 46 LYS HD2 . 11414 1 486 . 1 1 46 46 LYS HD3 H 1 1.836 0.030 . 1 . . . . 46 LYS HD3 . 11414 1 487 . 1 1 46 46 LYS HE2 H 1 3.082 0.030 . 1 . . . . 46 LYS HE2 . 11414 1 488 . 1 1 46 46 LYS HE3 H 1 3.082 0.030 . 1 . . . . 46 LYS HE3 . 11414 1 489 . 1 1 46 46 LYS HG2 H 1 1.651 0.030 . 2 . . . . 46 LYS HG2 . 11414 1 490 . 1 1 46 46 LYS HG3 H 1 1.690 0.030 . 2 . . . . 46 LYS HG3 . 11414 1 491 . 1 1 46 46 LYS CA C 13 58.722 0.300 . 1 . . . . 46 LYS CA . 11414 1 492 . 1 1 46 46 LYS CB C 13 34.179 0.300 . 1 . . . . 46 LYS CB . 11414 1 493 . 1 1 46 46 LYS CD C 13 29.460 0.300 . 1 . . . . 46 LYS CD . 11414 1 494 . 1 1 46 46 LYS CE C 13 42.077 0.300 . 1 . . . . 46 LYS CE . 11414 1 495 . 1 1 46 46 LYS CG C 13 25.870 0.300 . 1 . . . . 46 LYS CG . 11414 1 496 . 1 1 46 46 LYS N N 15 126.016 0.300 . 1 . . . . 46 LYS N . 11414 1 497 . 1 1 47 47 ARG H H 1 7.979 0.030 . 1 . . . . 47 ARG H . 11414 1 498 . 1 1 47 47 ARG HA H 1 4.844 0.030 . 1 . . . . 47 ARG HA . 11414 1 499 . 1 1 47 47 ARG HB2 H 1 2.373 0.030 . 2 . . . . 47 ARG HB2 . 11414 1 500 . 1 1 47 47 ARG HB3 H 1 1.835 0.030 . 2 . . . . 47 ARG HB3 . 11414 1 501 . 1 1 47 47 ARG HD2 H 1 3.476 0.030 . 2 . . . . 47 ARG HD2 . 11414 1 502 . 1 1 47 47 ARG HD3 H 1 3.248 0.030 . 2 . . . . 47 ARG HD3 . 11414 1 503 . 1 1 47 47 ARG HG2 H 1 1.800 0.030 . 1 . . . . 47 ARG HG2 . 11414 1 504 . 1 1 47 47 ARG HG3 H 1 1.800 0.030 . 1 . . . . 47 ARG HG3 . 11414 1 505 . 1 1 47 47 ARG CA C 13 54.559 0.300 . 1 . . . . 47 ARG CA . 11414 1 506 . 1 1 47 47 ARG CB C 13 33.879 0.300 . 1 . . . . 47 ARG CB . 11414 1 507 . 1 1 47 47 ARG CD C 13 43.849 0.300 . 1 . . . . 47 ARG CD . 11414 1 508 . 1 1 47 47 ARG CG C 13 27.387 0.300 . 1 . . . . 47 ARG CG . 11414 1 509 . 1 1 47 47 ARG N N 15 116.392 0.300 . 1 . . . . 47 ARG N . 11414 1 510 . 1 1 48 48 LYS H H 1 8.617 0.030 . 1 . . . . 48 LYS H . 11414 1 511 . 1 1 48 48 LYS HA H 1 3.094 0.030 . 1 . . . . 48 LYS HA . 11414 1 512 . 1 1 48 48 LYS HB2 H 1 1.440 0.030 . 2 . . . . 48 LYS HB2 . 11414 1 513 . 1 1 48 48 LYS HB3 H 1 1.090 0.030 . 2 . . . . 48 LYS HB3 . 11414 1 514 . 1 1 48 48 LYS HD2 H 1 1.487 0.030 . 1 . . . . 48 LYS HD2 . 11414 1 515 . 1 1 48 48 LYS HD3 H 1 1.487 0.030 . 1 . . . . 48 LYS HD3 . 11414 1 516 . 1 1 48 48 LYS HE2 H 1 2.879 0.030 . 1 . . . . 48 LYS HE2 . 11414 1 517 . 1 1 48 48 LYS HE3 H 1 2.879 0.030 . 1 . . . . 48 LYS HE3 . 11414 1 518 . 1 1 48 48 LYS HG2 H 1 0.920 0.030 . 2 . . . . 48 LYS HG2 . 11414 1 519 . 1 1 48 48 LYS HG3 H 1 1.099 0.030 . 2 . . . . 48 LYS HG3 . 11414 1 520 . 1 1 48 48 LYS CA C 13 59.518 0.300 . 1 . . . . 48 LYS CA . 11414 1 521 . 1 1 48 48 LYS CB C 13 32.113 0.300 . 1 . . . . 48 LYS CB . 11414 1 522 . 1 1 48 48 LYS CD C 13 29.330 0.300 . 1 . . . . 48 LYS CD . 11414 1 523 . 1 1 48 48 LYS CE C 13 42.059 0.300 . 1 . . . . 48 LYS CE . 11414 1 524 . 1 1 48 48 LYS CG C 13 25.162 0.300 . 1 . . . . 48 LYS CG . 11414 1 525 . 1 1 48 48 LYS N N 15 125.681 0.300 . 1 . . . . 48 LYS N . 11414 1 526 . 1 1 49 49 ASP H H 1 7.914 0.030 . 1 . . . . 49 ASP H . 11414 1 527 . 1 1 49 49 ASP HA H 1 4.180 0.030 . 1 . . . . 49 ASP HA . 11414 1 528 . 1 1 49 49 ASP HB2 H 1 2.629 0.030 . 2 . . . . 49 ASP HB2 . 11414 1 529 . 1 1 49 49 ASP HB3 H 1 2.781 0.030 . 2 . . . . 49 ASP HB3 . 11414 1 530 . 1 1 49 49 ASP C C 13 178.726 0.300 . 1 . . . . 49 ASP C . 11414 1 531 . 1 1 49 49 ASP CA C 13 56.457 0.300 . 1 . . . . 49 ASP CA . 11414 1 532 . 1 1 49 49 ASP CB C 13 38.460 0.300 . 1 . . . . 49 ASP CB . 11414 1 533 . 1 1 49 49 ASP N N 15 119.625 0.300 . 1 . . . . 49 ASP N . 11414 1 534 . 1 1 50 50 ARG H H 1 7.483 0.030 . 1 . . . . 50 ARG H . 11414 1 535 . 1 1 50 50 ARG HA H 1 4.073 0.030 . 1 . . . . 50 ARG HA . 11414 1 536 . 1 1 50 50 ARG HB2 H 1 2.051 0.030 . 2 . . . . 50 ARG HB2 . 11414 1 537 . 1 1 50 50 ARG HB3 H 1 2.115 0.030 . 2 . . . . 50 ARG HB3 . 11414 1 538 . 1 1 50 50 ARG HD2 H 1 3.390 0.030 . 1 . . . . 50 ARG HD2 . 11414 1 539 . 1 1 50 50 ARG HD3 H 1 3.390 0.030 . 1 . . . . 50 ARG HD3 . 11414 1 540 . 1 1 50 50 ARG HG2 H 1 1.959 0.030 . 2 . . . . 50 ARG HG2 . 11414 1 541 . 1 1 50 50 ARG HG3 H 1 1.741 0.030 . 2 . . . . 50 ARG HG3 . 11414 1 542 . 1 1 50 50 ARG C C 13 178.650 0.300 . 1 . . . . 50 ARG C . 11414 1 543 . 1 1 50 50 ARG CA C 13 58.083 0.300 . 1 . . . . 50 ARG CA . 11414 1 544 . 1 1 50 50 ARG CB C 13 29.777 0.300 . 1 . . . . 50 ARG CB . 11414 1 545 . 1 1 50 50 ARG CD C 13 42.990 0.300 . 1 . . . . 50 ARG CD . 11414 1 546 . 1 1 50 50 ARG CG C 13 27.509 0.300 . 1 . . . . 50 ARG CG . 11414 1 547 . 1 1 50 50 ARG N N 15 121.159 0.300 . 1 . . . . 50 ARG N . 11414 1 548 . 1 1 51 51 MET H H 1 7.297 0.030 . 1 . . . . 51 MET H . 11414 1 549 . 1 1 51 51 MET HA H 1 2.425 0.030 . 1 . . . . 51 MET HA . 11414 1 550 . 1 1 51 51 MET HB2 H 1 2.255 0.030 . 2 . . . . 51 MET HB2 . 11414 1 551 . 1 1 51 51 MET HB3 H 1 2.187 0.030 . 2 . . . . 51 MET HB3 . 11414 1 552 . 1 1 51 51 MET HE1 H 1 2.106 0.030 . 1 . . . . 51 MET HE . 11414 1 553 . 1 1 51 51 MET HE2 H 1 2.106 0.030 . 1 . . . . 51 MET HE . 11414 1 554 . 1 1 51 51 MET HE3 H 1 2.106 0.030 . 1 . . . . 51 MET HE . 11414 1 555 . 1 1 51 51 MET HG2 H 1 1.520 0.030 . 2 . . . . 51 MET HG2 . 11414 1 556 . 1 1 51 51 MET HG3 H 1 2.107 0.030 . 2 . . . . 51 MET HG3 . 11414 1 557 . 1 1 51 51 MET C C 13 177.327 0.300 . 1 . . . . 51 MET C . 11414 1 558 . 1 1 51 51 MET CA C 13 59.161 0.300 . 1 . . . . 51 MET CA . 11414 1 559 . 1 1 51 51 MET CB C 13 31.561 0.300 . 1 . . . . 51 MET CB . 11414 1 560 . 1 1 51 51 MET CE C 13 17.691 0.300 . 1 . . . . 51 MET CE . 11414 1 561 . 1 1 51 51 MET CG C 13 31.455 0.300 . 1 . . . . 51 MET CG . 11414 1 562 . 1 1 51 51 MET N N 15 121.157 0.300 . 1 . . . . 51 MET N . 11414 1 563 . 1 1 52 52 SER H H 1 8.393 0.030 . 1 . . . . 52 SER H . 11414 1 564 . 1 1 52 52 SER HA H 1 4.058 0.030 . 1 . . . . 52 SER HA . 11414 1 565 . 1 1 52 52 SER HB2 H 1 3.875 0.030 . 1 . . . . 52 SER HB2 . 11414 1 566 . 1 1 52 52 SER HB3 H 1 3.875 0.030 . 1 . . . . 52 SER HB3 . 11414 1 567 . 1 1 52 52 SER C C 13 176.579 0.300 . 1 . . . . 52 SER C . 11414 1 568 . 1 1 52 52 SER CA C 13 62.144 0.300 . 1 . . . . 52 SER CA . 11414 1 569 . 1 1 52 52 SER CB C 13 62.552 0.300 . 1 . . . . 52 SER CB . 11414 1 570 . 1 1 52 52 SER N N 15 115.413 0.300 . 1 . . . . 52 SER N . 11414 1 571 . 1 1 53 53 TYR H H 1 7.647 0.030 . 1 . . . . 53 TYR H . 11414 1 572 . 1 1 53 53 TYR HA H 1 4.188 0.030 . 1 . . . . 53 TYR HA . 11414 1 573 . 1 1 53 53 TYR HB2 H 1 3.074 0.030 . 1 . . . . 53 TYR HB2 . 11414 1 574 . 1 1 53 53 TYR HB3 H 1 3.074 0.030 . 1 . . . . 53 TYR HB3 . 11414 1 575 . 1 1 53 53 TYR HD1 H 1 7.133 0.030 . 1 . . . . 53 TYR HD1 . 11414 1 576 . 1 1 53 53 TYR HD2 H 1 7.133 0.030 . 1 . . . . 53 TYR HD2 . 11414 1 577 . 1 1 53 53 TYR HE1 H 1 6.821 0.030 . 1 . . . . 53 TYR HE1 . 11414 1 578 . 1 1 53 53 TYR HE2 H 1 6.821 0.030 . 1 . . . . 53 TYR HE2 . 11414 1 579 . 1 1 53 53 TYR C C 13 178.154 0.300 . 1 . . . . 53 TYR C . 11414 1 580 . 1 1 53 53 TYR CA C 13 60.904 0.300 . 1 . . . . 53 TYR CA . 11414 1 581 . 1 1 53 53 TYR CB C 13 38.083 0.300 . 1 . . . . 53 TYR CB . 11414 1 582 . 1 1 53 53 TYR CD1 C 13 132.955 0.300 . 1 . . . . 53 TYR CD1 . 11414 1 583 . 1 1 53 53 TYR CD2 C 13 132.955 0.300 . 1 . . . . 53 TYR CD2 . 11414 1 584 . 1 1 53 53 TYR CE1 C 13 118.182 0.300 . 1 . . . . 53 TYR CE1 . 11414 1 585 . 1 1 53 53 TYR CE2 C 13 118.182 0.300 . 1 . . . . 53 TYR CE2 . 11414 1 586 . 1 1 53 53 TYR N N 15 121.125 0.300 . 1 . . . . 53 TYR N . 11414 1 587 . 1 1 54 54 HIS H H 1 7.719 0.030 . 1 . . . . 54 HIS H . 11414 1 588 . 1 1 54 54 HIS HA H 1 4.249 0.030 . 1 . . . . 54 HIS HA . 11414 1 589 . 1 1 54 54 HIS HB2 H 1 3.279 0.030 . 2 . . . . 54 HIS HB2 . 11414 1 590 . 1 1 54 54 HIS HB3 H 1 3.324 0.030 . 2 . . . . 54 HIS HB3 . 11414 1 591 . 1 1 54 54 HIS HD2 H 1 7.147 0.030 . 1 . . . . 54 HIS HD2 . 11414 1 592 . 1 1 54 54 HIS HE1 H 1 7.930 0.030 . 1 . . . . 54 HIS HE1 . 11414 1 593 . 1 1 54 54 HIS C C 13 178.479 0.300 . 1 . . . . 54 HIS C . 11414 1 594 . 1 1 54 54 HIS CA C 13 59.698 0.300 . 1 . . . . 54 HIS CA . 11414 1 595 . 1 1 54 54 HIS CB C 13 28.416 0.300 . 1 . . . . 54 HIS CB . 11414 1 596 . 1 1 54 54 HIS CD2 C 13 127.831 0.300 . 1 . . . . 54 HIS CD2 . 11414 1 597 . 1 1 54 54 HIS CE1 C 13 139.889 0.300 . 1 . . . . 54 HIS CE1 . 11414 1 598 . 1 1 54 54 HIS N N 15 118.745 0.300 . 1 . . . . 54 HIS N . 11414 1 599 . 1 1 55 55 VAL H H 1 8.835 0.030 . 1 . . . . 55 VAL H . 11414 1 600 . 1 1 55 55 VAL HA H 1 3.659 0.030 . 1 . . . . 55 VAL HA . 11414 1 601 . 1 1 55 55 VAL HB H 1 2.299 0.030 . 1 . . . . 55 VAL HB . 11414 1 602 . 1 1 55 55 VAL HG11 H 1 1.550 0.030 . 1 . . . . 55 VAL HG1 . 11414 1 603 . 1 1 55 55 VAL HG12 H 1 1.550 0.030 . 1 . . . . 55 VAL HG1 . 11414 1 604 . 1 1 55 55 VAL HG13 H 1 1.550 0.030 . 1 . . . . 55 VAL HG1 . 11414 1 605 . 1 1 55 55 VAL HG21 H 1 1.172 0.030 . 1 . . . . 55 VAL HG2 . 11414 1 606 . 1 1 55 55 VAL HG22 H 1 1.172 0.030 . 1 . . . . 55 VAL HG2 . 11414 1 607 . 1 1 55 55 VAL HG23 H 1 1.172 0.030 . 1 . . . . 55 VAL HG2 . 11414 1 608 . 1 1 55 55 VAL C C 13 178.255 0.300 . 1 . . . . 55 VAL C . 11414 1 609 . 1 1 55 55 VAL CA C 13 67.039 0.300 . 1 . . . . 55 VAL CA . 11414 1 610 . 1 1 55 55 VAL CB C 13 31.922 0.300 . 1 . . . . 55 VAL CB . 11414 1 611 . 1 1 55 55 VAL CG1 C 13 23.856 0.300 . 2 . . . . 55 VAL CG1 . 11414 1 612 . 1 1 55 55 VAL CG2 C 13 21.630 0.300 . 2 . . . . 55 VAL CG2 . 11414 1 613 . 1 1 55 55 VAL N N 15 121.882 0.300 . 1 . . . . 55 VAL N . 11414 1 614 . 1 1 56 56 ARG H H 1 7.189 0.030 . 1 . . . . 56 ARG H . 11414 1 615 . 1 1 56 56 ARG HA H 1 4.137 0.030 . 1 . . . . 56 ARG HA . 11414 1 616 . 1 1 56 56 ARG HB2 H 1 1.892 0.030 . 2 . . . . 56 ARG HB2 . 11414 1 617 . 1 1 56 56 ARG HB3 H 1 1.803 0.030 . 2 . . . . 56 ARG HB3 . 11414 1 618 . 1 1 56 56 ARG HD2 H 1 3.168 0.030 . 1 . . . . 56 ARG HD2 . 11414 1 619 . 1 1 56 56 ARG HD3 H 1 3.168 0.030 . 1 . . . . 56 ARG HD3 . 11414 1 620 . 1 1 56 56 ARG HG2 H 1 1.791 0.030 . 2 . . . . 56 ARG HG2 . 11414 1 621 . 1 1 56 56 ARG HG3 H 1 1.716 0.030 . 2 . . . . 56 ARG HG3 . 11414 1 622 . 1 1 56 56 ARG C C 13 177.823 0.300 . 1 . . . . 56 ARG C . 11414 1 623 . 1 1 56 56 ARG CA C 13 58.133 0.300 . 1 . . . . 56 ARG CA . 11414 1 624 . 1 1 56 56 ARG CB C 13 29.861 0.300 . 1 . . . . 56 ARG CB . 11414 1 625 . 1 1 56 56 ARG CD C 13 43.549 0.300 . 1 . . . . 56 ARG CD . 11414 1 626 . 1 1 56 56 ARG CG C 13 27.096 0.300 . 1 . . . . 56 ARG CG . 11414 1 627 . 1 1 56 56 ARG N N 15 118.067 0.300 . 1 . . . . 56 ARG N . 11414 1 628 . 1 1 57 57 SER H H 1 7.692 0.030 . 1 . . . . 57 SER H . 11414 1 629 . 1 1 57 57 SER HA H 1 4.160 0.030 . 1 . . . . 57 SER HA . 11414 1 630 . 1 1 57 57 SER HB2 H 1 3.776 0.030 . 1 . . . . 57 SER HB2 . 11414 1 631 . 1 1 57 57 SER HB3 H 1 3.776 0.030 . 1 . . . . 57 SER HB3 . 11414 1 632 . 1 1 57 57 SER C C 13 175.176 0.300 . 1 . . . . 57 SER C . 11414 1 633 . 1 1 57 57 SER CA C 13 60.725 0.300 . 1 . . . . 57 SER CA . 11414 1 634 . 1 1 57 57 SER CB C 13 63.077 0.300 . 1 . . . . 57 SER CB . 11414 1 635 . 1 1 57 57 SER N N 15 114.924 0.300 . 1 . . . . 57 SER N . 11414 1 636 . 1 1 58 58 HIS H H 1 7.311 0.030 . 1 . . . . 58 HIS H . 11414 1 637 . 1 1 58 58 HIS HA H 1 4.685 0.030 . 1 . . . . 58 HIS HA . 11414 1 638 . 1 1 58 58 HIS HB2 H 1 3.342 0.030 . 2 . . . . 58 HIS HB2 . 11414 1 639 . 1 1 58 58 HIS HB3 H 1 3.278 0.030 . 2 . . . . 58 HIS HB3 . 11414 1 640 . 1 1 58 58 HIS HD2 H 1 6.748 0.030 . 1 . . . . 58 HIS HD2 . 11414 1 641 . 1 1 58 58 HIS HE1 H 1 8.130 0.030 . 1 . . . . 58 HIS HE1 . 11414 1 642 . 1 1 58 58 HIS C C 13 175.191 0.300 . 1 . . . . 58 HIS C . 11414 1 643 . 1 1 58 58 HIS CA C 13 56.328 0.300 . 1 . . . . 58 HIS CA . 11414 1 644 . 1 1 58 58 HIS CB C 13 28.391 0.300 . 1 . . . . 58 HIS CB . 11414 1 645 . 1 1 58 58 HIS CD2 C 13 127.565 0.300 . 1 . . . . 58 HIS CD2 . 11414 1 646 . 1 1 58 58 HIS CE1 C 13 140.312 0.300 . 1 . . . . 58 HIS CE1 . 11414 1 647 . 1 1 58 58 HIS N N 15 118.969 0.300 . 1 . . . . 58 HIS N . 11414 1 648 . 1 1 59 59 ASP H H 1 7.832 0.030 . 1 . . . . 59 ASP H . 11414 1 649 . 1 1 59 59 ASP HA H 1 4.606 0.030 . 1 . . . . 59 ASP HA . 11414 1 650 . 1 1 59 59 ASP HB2 H 1 2.785 0.030 . 1 . . . . 59 ASP HB2 . 11414 1 651 . 1 1 59 59 ASP HB3 H 1 2.785 0.030 . 1 . . . . 59 ASP HB3 . 11414 1 652 . 1 1 59 59 ASP C C 13 176.945 0.300 . 1 . . . . 59 ASP C . 11414 1 653 . 1 1 59 59 ASP CA C 13 55.157 0.300 . 1 . . . . 59 ASP CA . 11414 1 654 . 1 1 59 59 ASP CB C 13 41.104 0.300 . 1 . . . . 59 ASP CB . 11414 1 655 . 1 1 59 59 ASP N N 15 120.411 0.300 . 1 . . . . 59 ASP N . 11414 1 656 . 1 1 60 60 GLY H H 1 8.383 0.030 . 1 . . . . 60 GLY H . 11414 1 657 . 1 1 60 60 GLY HA2 H 1 4.016 0.030 . 1 . . . . 60 GLY HA2 . 11414 1 658 . 1 1 60 60 GLY HA3 H 1 4.016 0.030 . 1 . . . . 60 GLY HA3 . 11414 1 659 . 1 1 60 60 GLY C C 13 175.736 0.300 . 1 . . . . 60 GLY C . 11414 1 660 . 1 1 60 60 GLY CA C 13 45.688 0.300 . 1 . . . . 60 GLY CA . 11414 1 661 . 1 1 60 60 GLY N N 15 109.717 0.300 . 1 . . . . 60 GLY N . 11414 1 662 . 1 1 61 61 SER H H 1 8.254 0.030 . 1 . . . . 61 SER H . 11414 1 663 . 1 1 61 61 SER HA H 1 4.472 0.030 . 1 . . . . 61 SER HA . 11414 1 664 . 1 1 61 61 SER HB2 H 1 4.007 0.030 . 1 . . . . 61 SER HB2 . 11414 1 665 . 1 1 61 61 SER HB3 H 1 4.007 0.030 . 1 . . . . 61 SER HB3 . 11414 1 666 . 1 1 61 61 SER C C 13 174.658 0.300 . 1 . . . . 61 SER C . 11414 1 667 . 1 1 61 61 SER CA C 13 58.763 0.300 . 1 . . . . 61 SER CA . 11414 1 668 . 1 1 61 61 SER CB C 13 64.018 0.300 . 1 . . . . 61 SER CB . 11414 1 669 . 1 1 61 61 SER N N 15 115.827 0.300 . 1 . . . . 61 SER N . 11414 1 670 . 1 1 62 62 VAL H H 1 7.976 0.030 . 1 . . . . 62 VAL H . 11414 1 671 . 1 1 62 62 VAL HA H 1 4.122 0.030 . 1 . . . . 62 VAL HA . 11414 1 672 . 1 1 62 62 VAL HB H 1 2.130 0.030 . 1 . . . . 62 VAL HB . 11414 1 673 . 1 1 62 62 VAL HG11 H 1 0.951 0.030 . 1 . . . . 62 VAL HG1 . 11414 1 674 . 1 1 62 62 VAL HG12 H 1 0.951 0.030 . 1 . . . . 62 VAL HG1 . 11414 1 675 . 1 1 62 62 VAL HG13 H 1 0.951 0.030 . 1 . . . . 62 VAL HG1 . 11414 1 676 . 1 1 62 62 VAL HG21 H 1 0.963 0.030 . 1 . . . . 62 VAL HG2 . 11414 1 677 . 1 1 62 62 VAL HG22 H 1 0.963 0.030 . 1 . . . . 62 VAL HG2 . 11414 1 678 . 1 1 62 62 VAL HG23 H 1 0.963 0.030 . 1 . . . . 62 VAL HG2 . 11414 1 679 . 1 1 62 62 VAL C C 13 176.687 0.300 . 1 . . . . 62 VAL C . 11414 1 680 . 1 1 62 62 VAL CA C 13 62.724 0.300 . 1 . . . . 62 VAL CA . 11414 1 681 . 1 1 62 62 VAL CB C 13 32.570 0.300 . 1 . . . . 62 VAL CB . 11414 1 682 . 1 1 62 62 VAL CG1 C 13 21.150 0.300 . 2 . . . . 62 VAL CG1 . 11414 1 683 . 1 1 62 62 VAL CG2 C 13 20.631 0.300 . 2 . . . . 62 VAL CG2 . 11414 1 684 . 1 1 62 62 VAL N N 15 120.864 0.300 . 1 . . . . 62 VAL N . 11414 1 685 . 1 1 63 63 GLY H H 1 8.418 0.030 . 1 . . . . 63 GLY H . 11414 1 686 . 1 1 63 63 GLY HA2 H 1 3.927 0.030 . 1 . . . . 63 GLY HA2 . 11414 1 687 . 1 1 63 63 GLY HA3 H 1 3.927 0.030 . 1 . . . . 63 GLY HA3 . 11414 1 688 . 1 1 63 63 GLY C C 13 176.634 0.300 . 1 . . . . 63 GLY C . 11414 1 689 . 1 1 63 63 GLY CA C 13 45.387 0.300 . 1 . . . . 63 GLY CA . 11414 1 690 . 1 1 63 63 GLY N N 15 111.814 0.300 . 1 . . . . 63 GLY N . 11414 1 691 . 1 1 64 64 LYS H H 1 7.972 0.030 . 1 . . . . 64 LYS H . 11414 1 692 . 1 1 64 64 LYS HA H 1 4.515 0.030 . 1 . . . . 64 LYS HA . 11414 1 693 . 1 1 64 64 LYS HB2 H 1 1.549 0.030 . 2 . . . . 64 LYS HB2 . 11414 1 694 . 1 1 64 64 LYS HB3 H 1 1.445 0.030 . 2 . . . . 64 LYS HB3 . 11414 1 695 . 1 1 64 64 LYS HD2 H 1 1.433 0.030 . 2 . . . . 64 LYS HD2 . 11414 1 696 . 1 1 64 64 LYS HD3 H 1 1.536 0.030 . 2 . . . . 64 LYS HD3 . 11414 1 697 . 1 1 64 64 LYS HE2 H 1 2.930 0.030 . 1 . . . . 64 LYS HE2 . 11414 1 698 . 1 1 64 64 LYS HE3 H 1 2.930 0.030 . 1 . . . . 64 LYS HE3 . 11414 1 699 . 1 1 64 64 LYS HG2 H 1 1.305 0.030 . 2 . . . . 64 LYS HG2 . 11414 1 700 . 1 1 64 64 LYS HG3 H 1 1.160 0.030 . 2 . . . . 64 LYS HG3 . 11414 1 701 . 1 1 64 64 LYS CA C 13 53.643 0.300 . 1 . . . . 64 LYS CA . 11414 1 702 . 1 1 64 64 LYS CB C 13 32.706 0.300 . 1 . . . . 64 LYS CB . 11414 1 703 . 1 1 64 64 LYS CD C 13 29.362 0.300 . 1 . . . . 64 LYS CD . 11414 1 704 . 1 1 64 64 LYS CE C 13 42.380 0.300 . 1 . . . . 64 LYS CE . 11414 1 705 . 1 1 64 64 LYS CG C 13 24.812 0.300 . 1 . . . . 64 LYS CG . 11414 1 706 . 1 1 64 64 LYS N N 15 120.532 0.300 . 1 . . . . 64 LYS N . 11414 1 707 . 1 1 65 65 PRO HA H 1 4.330 0.030 . 1 . . . . 65 PRO HA . 11414 1 708 . 1 1 65 65 PRO HB2 H 1 2.032 0.030 . 2 . . . . 65 PRO HB2 . 11414 1 709 . 1 1 65 65 PRO HB3 H 1 1.376 0.030 . 2 . . . . 65 PRO HB3 . 11414 1 710 . 1 1 65 65 PRO HD2 H 1 3.666 0.030 . 1 . . . . 65 PRO HD2 . 11414 1 711 . 1 1 65 65 PRO HD3 H 1 3.666 0.030 . 1 . . . . 65 PRO HD3 . 11414 1 712 . 1 1 65 65 PRO HG2 H 1 1.643 0.030 . 2 . . . . 65 PRO HG2 . 11414 1 713 . 1 1 65 65 PRO HG3 H 1 1.898 0.030 . 2 . . . . 65 PRO HG3 . 11414 1 714 . 1 1 65 65 PRO C C 13 176.319 0.300 . 1 . . . . 65 PRO C . 11414 1 715 . 1 1 65 65 PRO CA C 13 63.542 0.300 . 1 . . . . 65 PRO CA . 11414 1 716 . 1 1 65 65 PRO CB C 13 32.101 0.300 . 1 . . . . 65 PRO CB . 11414 1 717 . 1 1 65 65 PRO CD C 13 49.908 0.300 . 1 . . . . 65 PRO CD . 11414 1 718 . 1 1 65 65 PRO CG C 13 26.652 0.300 . 1 . . . . 65 PRO CG . 11414 1 719 . 1 1 66 66 TYR H H 1 7.863 0.030 . 1 . . . . 66 TYR H . 11414 1 720 . 1 1 66 66 TYR HA H 1 4.609 0.030 . 1 . . . . 66 TYR HA . 11414 1 721 . 1 1 66 66 TYR HB2 H 1 2.836 0.030 . 2 . . . . 66 TYR HB2 . 11414 1 722 . 1 1 66 66 TYR HB3 H 1 2.946 0.030 . 2 . . . . 66 TYR HB3 . 11414 1 723 . 1 1 66 66 TYR HD1 H 1 7.061 0.030 . 1 . . . . 66 TYR HD1 . 11414 1 724 . 1 1 66 66 TYR HD2 H 1 7.061 0.030 . 1 . . . . 66 TYR HD2 . 11414 1 725 . 1 1 66 66 TYR HE1 H 1 6.885 0.030 . 1 . . . . 66 TYR HE1 . 11414 1 726 . 1 1 66 66 TYR HE2 H 1 6.885 0.030 . 1 . . . . 66 TYR HE2 . 11414 1 727 . 1 1 66 66 TYR C C 13 174.395 0.300 . 1 . . . . 66 TYR C . 11414 1 728 . 1 1 66 66 TYR CA C 13 57.790 0.300 . 1 . . . . 66 TYR CA . 11414 1 729 . 1 1 66 66 TYR CB C 13 37.899 0.300 . 1 . . . . 66 TYR CB . 11414 1 730 . 1 1 66 66 TYR CD1 C 13 133.165 0.300 . 1 . . . . 66 TYR CD1 . 11414 1 731 . 1 1 66 66 TYR CD2 C 13 133.165 0.300 . 1 . . . . 66 TYR CD2 . 11414 1 732 . 1 1 66 66 TYR CE1 C 13 118.198 0.300 . 1 . . . . 66 TYR CE1 . 11414 1 733 . 1 1 66 66 TYR CE2 C 13 118.198 0.300 . 1 . . . . 66 TYR CE2 . 11414 1 734 . 1 1 66 66 TYR N N 15 118.987 0.300 . 1 . . . . 66 TYR N . 11414 1 735 . 1 1 67 67 ILE H H 1 8.364 0.030 . 1 . . . . 67 ILE H . 11414 1 736 . 1 1 67 67 ILE HA H 1 4.639 0.030 . 1 . . . . 67 ILE HA . 11414 1 737 . 1 1 67 67 ILE HB H 1 1.719 0.030 . 1 . . . . 67 ILE HB . 11414 1 738 . 1 1 67 67 ILE HD11 H 1 0.757 0.030 . 1 . . . . 67 ILE HD1 . 11414 1 739 . 1 1 67 67 ILE HD12 H 1 0.757 0.030 . 1 . . . . 67 ILE HD1 . 11414 1 740 . 1 1 67 67 ILE HD13 H 1 0.757 0.030 . 1 . . . . 67 ILE HD1 . 11414 1 741 . 1 1 67 67 ILE HG12 H 1 1.388 0.030 . 2 . . . . 67 ILE HG12 . 11414 1 742 . 1 1 67 67 ILE HG13 H 1 1.103 0.030 . 2 . . . . 67 ILE HG13 . 11414 1 743 . 1 1 67 67 ILE HG21 H 1 0.692 0.030 . 1 . . . . 67 ILE HG2 . 11414 1 744 . 1 1 67 67 ILE HG22 H 1 0.692 0.030 . 1 . . . . 67 ILE HG2 . 11414 1 745 . 1 1 67 67 ILE HG23 H 1 0.692 0.030 . 1 . . . . 67 ILE HG2 . 11414 1 746 . 1 1 67 67 ILE C C 13 175.769 0.300 . 1 . . . . 67 ILE C . 11414 1 747 . 1 1 67 67 ILE CA C 13 59.508 0.300 . 1 . . . . 67 ILE CA . 11414 1 748 . 1 1 67 67 ILE CB C 13 39.924 0.300 . 1 . . . . 67 ILE CB . 11414 1 749 . 1 1 67 67 ILE CD1 C 13 12.112 0.300 . 1 . . . . 67 ILE CD1 . 11414 1 750 . 1 1 67 67 ILE CG1 C 13 27.571 0.300 . 1 . . . . 67 ILE CG1 . 11414 1 751 . 1 1 67 67 ILE CG2 C 13 17.128 0.300 . 1 . . . . 67 ILE CG2 . 11414 1 752 . 1 1 67 67 ILE N N 15 125.275 0.300 . 1 . . . . 67 ILE N . 11414 1 753 . 1 1 68 68 CYS H H 1 9.197 0.030 . 1 . . . . 68 CYS H . 11414 1 754 . 1 1 68 68 CYS HA H 1 4.546 0.030 . 1 . . . . 68 CYS HA . 11414 1 755 . 1 1 68 68 CYS HB2 H 1 2.919 0.030 . 2 . . . . 68 CYS HB2 . 11414 1 756 . 1 1 68 68 CYS HB3 H 1 3.401 0.030 . 2 . . . . 68 CYS HB3 . 11414 1 757 . 1 1 68 68 CYS C C 13 177.432 0.300 . 1 . . . . 68 CYS C . 11414 1 758 . 1 1 68 68 CYS CA C 13 60.026 0.300 . 1 . . . . 68 CYS CA . 11414 1 759 . 1 1 68 68 CYS CB C 13 29.478 0.300 . 1 . . . . 68 CYS CB . 11414 1 760 . 1 1 68 68 CYS N N 15 129.505 0.300 . 1 . . . . 68 CYS N . 11414 1 761 . 1 1 69 69 GLN H H 1 9.614 0.030 . 1 . . . . 69 GLN H . 11414 1 762 . 1 1 69 69 GLN HA H 1 4.183 0.030 . 1 . . . . 69 GLN HA . 11414 1 763 . 1 1 69 69 GLN HB2 H 1 2.147 0.030 . 2 . . . . 69 GLN HB2 . 11414 1 764 . 1 1 69 69 GLN HB3 H 1 2.281 0.030 . 2 . . . . 69 GLN HB3 . 11414 1 765 . 1 1 69 69 GLN HE21 H 1 6.918 0.030 . 2 . . . . 69 GLN HE21 . 11414 1 766 . 1 1 69 69 GLN HE22 H 1 7.457 0.030 . 2 . . . . 69 GLN HE22 . 11414 1 767 . 1 1 69 69 GLN HG2 H 1 2.560 0.030 . 1 . . . . 69 GLN HG2 . 11414 1 768 . 1 1 69 69 GLN HG3 H 1 2.560 0.030 . 1 . . . . 69 GLN HG3 . 11414 1 769 . 1 1 69 69 GLN CA C 13 57.846 0.300 . 1 . . . . 69 GLN CA . 11414 1 770 . 1 1 69 69 GLN CB C 13 28.609 0.300 . 1 . . . . 69 GLN CB . 11414 1 771 . 1 1 69 69 GLN CG C 13 34.176 0.300 . 1 . . . . 69 GLN CG . 11414 1 772 . 1 1 69 69 GLN N N 15 131.719 0.300 . 1 . . . . 69 GLN N . 11414 1 773 . 1 1 69 69 GLN NE2 N 15 112.690 0.300 . 1 . . . . 69 GLN NE2 . 11414 1 774 . 1 1 70 70 SER H H 1 8.786 0.030 . 1 . . . . 70 SER H . 11414 1 775 . 1 1 70 70 SER HA H 1 4.446 0.030 . 1 . . . . 70 SER HA . 11414 1 776 . 1 1 70 70 SER HB2 H 1 3.182 0.030 . 2 . . . . 70 SER HB2 . 11414 1 777 . 1 1 70 70 SER HB3 H 1 2.821 0.030 . 2 . . . . 70 SER HB3 . 11414 1 778 . 1 1 70 70 SER C C 13 174.796 0.300 . 1 . . . . 70 SER C . 11414 1 779 . 1 1 70 70 SER CA C 13 61.331 0.300 . 1 . . . . 70 SER CA . 11414 1 780 . 1 1 70 70 SER CB C 13 62.208 0.300 . 1 . . . . 70 SER CB . 11414 1 781 . 1 1 70 70 SER N N 15 116.261 0.300 . 1 . . . . 70 SER N . 11414 1 782 . 1 1 71 71 CYS H H 1 8.136 0.030 . 1 . . . . 71 CYS H . 11414 1 783 . 1 1 71 71 CYS HA H 1 5.238 0.030 . 1 . . . . 71 CYS HA . 11414 1 784 . 1 1 71 71 CYS HB2 H 1 3.477 0.030 . 2 . . . . 71 CYS HB2 . 11414 1 785 . 1 1 71 71 CYS HB3 H 1 2.986 0.030 . 2 . . . . 71 CYS HB3 . 11414 1 786 . 1 1 71 71 CYS C C 13 175.895 0.300 . 1 . . . . 71 CYS C . 11414 1 787 . 1 1 71 71 CYS CA C 13 58.849 0.300 . 1 . . . . 71 CYS CA . 11414 1 788 . 1 1 71 71 CYS CB C 13 32.735 0.300 . 1 . . . . 71 CYS CB . 11414 1 789 . 1 1 71 71 CYS N N 15 117.248 0.300 . 1 . . . . 71 CYS N . 11414 1 790 . 1 1 72 72 GLY H H 1 8.277 0.030 . 1 . . . . 72 GLY H . 11414 1 791 . 1 1 72 72 GLY HA2 H 1 4.208 0.030 . 2 . . . . 72 GLY HA2 . 11414 1 792 . 1 1 72 72 GLY HA3 H 1 3.725 0.030 . 2 . . . . 72 GLY HA3 . 11414 1 793 . 1 1 72 72 GLY C C 13 173.537 0.300 . 1 . . . . 72 GLY C . 11414 1 794 . 1 1 72 72 GLY CA C 13 46.234 0.300 . 1 . . . . 72 GLY CA . 11414 1 795 . 1 1 72 72 GLY N N 15 113.578 0.300 . 1 . . . . 72 GLY N . 11414 1 796 . 1 1 73 73 LYS H H 1 7.935 0.030 . 1 . . . . 73 LYS H . 11414 1 797 . 1 1 73 73 LYS HA H 1 4.014 0.030 . 1 . . . . 73 LYS HA . 11414 1 798 . 1 1 73 73 LYS HB2 H 1 1.533 0.030 . 2 . . . . 73 LYS HB2 . 11414 1 799 . 1 1 73 73 LYS HB3 H 1 1.303 0.030 . 2 . . . . 73 LYS HB3 . 11414 1 800 . 1 1 73 73 LYS HD2 H 1 1.506 0.030 . 2 . . . . 73 LYS HD2 . 11414 1 801 . 1 1 73 73 LYS HD3 H 1 1.540 0.030 . 2 . . . . 73 LYS HD3 . 11414 1 802 . 1 1 73 73 LYS HE2 H 1 2.988 0.030 . 2 . . . . 73 LYS HE2 . 11414 1 803 . 1 1 73 73 LYS HE3 H 1 3.057 0.030 . 2 . . . . 73 LYS HE3 . 11414 1 804 . 1 1 73 73 LYS HG2 H 1 1.088 0.030 . 2 . . . . 73 LYS HG2 . 11414 1 805 . 1 1 73 73 LYS HG3 H 1 1.440 0.030 . 2 . . . . 73 LYS HG3 . 11414 1 806 . 1 1 73 73 LYS C C 13 174.587 0.300 . 1 . . . . 73 LYS C . 11414 1 807 . 1 1 73 73 LYS CA C 13 58.100 0.300 . 1 . . . . 73 LYS CA . 11414 1 808 . 1 1 73 73 LYS CB C 13 33.873 0.300 . 1 . . . . 73 LYS CB . 11414 1 809 . 1 1 73 73 LYS CD C 13 29.364 0.300 . 1 . . . . 73 LYS CD . 11414 1 810 . 1 1 73 73 LYS CE C 13 42.259 0.300 . 1 . . . . 73 LYS CE . 11414 1 811 . 1 1 73 73 LYS CG C 13 26.179 0.300 . 1 . . . . 73 LYS CG . 11414 1 812 . 1 1 73 73 LYS N N 15 122.938 0.300 . 1 . . . . 73 LYS N . 11414 1 813 . 1 1 74 74 GLY H H 1 7.974 0.030 . 1 . . . . 74 GLY H . 11414 1 814 . 1 1 74 74 GLY HA2 H 1 4.983 0.030 . 2 . . . . 74 GLY HA2 . 11414 1 815 . 1 1 74 74 GLY HA3 H 1 3.318 0.030 . 2 . . . . 74 GLY HA3 . 11414 1 816 . 1 1 74 74 GLY C C 13 172.537 0.300 . 1 . . . . 74 GLY C . 11414 1 817 . 1 1 74 74 GLY CA C 13 44.228 0.300 . 1 . . . . 74 GLY CA . 11414 1 818 . 1 1 74 74 GLY N N 15 108.490 0.300 . 1 . . . . 74 GLY N . 11414 1 819 . 1 1 75 75 PHE H H 1 8.819 0.030 . 1 . . . . 75 PHE H . 11414 1 820 . 1 1 75 75 PHE HA H 1 4.855 0.030 . 1 . . . . 75 PHE HA . 11414 1 821 . 1 1 75 75 PHE HB2 H 1 2.902 0.030 . 2 . . . . 75 PHE HB2 . 11414 1 822 . 1 1 75 75 PHE HB3 H 1 3.512 0.030 . 2 . . . . 75 PHE HB3 . 11414 1 823 . 1 1 75 75 PHE HD1 H 1 7.390 0.030 . 1 . . . . 75 PHE HD1 . 11414 1 824 . 1 1 75 75 PHE HD2 H 1 7.390 0.030 . 1 . . . . 75 PHE HD2 . 11414 1 825 . 1 1 75 75 PHE HE1 H 1 6.863 0.030 . 1 . . . . 75 PHE HE1 . 11414 1 826 . 1 1 75 75 PHE HE2 H 1 6.863 0.030 . 1 . . . . 75 PHE HE2 . 11414 1 827 . 1 1 75 75 PHE HZ H 1 6.220 0.030 . 1 . . . . 75 PHE HZ . 11414 1 828 . 1 1 75 75 PHE C C 13 175.536 0.300 . 1 . . . . 75 PHE C . 11414 1 829 . 1 1 75 75 PHE CA C 13 57.292 0.300 . 1 . . . . 75 PHE CA . 11414 1 830 . 1 1 75 75 PHE CB C 13 43.874 0.300 . 1 . . . . 75 PHE CB . 11414 1 831 . 1 1 75 75 PHE CD1 C 13 132.499 0.300 . 1 . . . . 75 PHE CD1 . 11414 1 832 . 1 1 75 75 PHE CD2 C 13 132.499 0.300 . 1 . . . . 75 PHE CD2 . 11414 1 833 . 1 1 75 75 PHE CE1 C 13 130.748 0.300 . 1 . . . . 75 PHE CE1 . 11414 1 834 . 1 1 75 75 PHE CE2 C 13 130.748 0.300 . 1 . . . . 75 PHE CE2 . 11414 1 835 . 1 1 75 75 PHE CZ C 13 128.563 0.300 . 1 . . . . 75 PHE CZ . 11414 1 836 . 1 1 75 75 PHE N N 15 117.852 0.300 . 1 . . . . 75 PHE N . 11414 1 837 . 1 1 76 76 SER HA H 1 4.797 0.030 . 1 . . . . 76 SER HA . 11414 1 838 . 1 1 76 76 SER HB2 H 1 4.181 0.030 . 2 . . . . 76 SER HB2 . 11414 1 839 . 1 1 76 76 SER HB3 H 1 4.131 0.030 . 2 . . . . 76 SER HB3 . 11414 1 840 . 1 1 76 76 SER CA C 13 60.259 0.300 . 1 . . . . 76 SER CA . 11414 1 841 . 1 1 76 76 SER CB C 13 64.596 0.300 . 1 . . . . 76 SER CB . 11414 1 842 . 1 1 77 77 ARG H H 1 7.226 0.030 . 1 . . . . 77 ARG H . 11414 1 843 . 1 1 77 77 ARG HA H 1 4.822 0.030 . 1 . . . . 77 ARG HA . 11414 1 844 . 1 1 77 77 ARG HB2 H 1 0.947 0.030 . 2 . . . . 77 ARG HB2 . 11414 1 845 . 1 1 77 77 ARG HB3 H 1 1.941 0.030 . 2 . . . . 77 ARG HB3 . 11414 1 846 . 1 1 77 77 ARG HD2 H 1 2.869 0.030 . 2 . . . . 77 ARG HD2 . 11414 1 847 . 1 1 77 77 ARG HD3 H 1 3.155 0.030 . 2 . . . . 77 ARG HD3 . 11414 1 848 . 1 1 77 77 ARG HG2 H 1 1.418 0.030 . 2 . . . . 77 ARG HG2 . 11414 1 849 . 1 1 77 77 ARG HG3 H 1 1.597 0.030 . 2 . . . . 77 ARG HG3 . 11414 1 850 . 1 1 77 77 ARG CA C 13 52.752 0.300 . 1 . . . . 77 ARG CA . 11414 1 851 . 1 1 77 77 ARG CB C 13 33.540 0.300 . 1 . . . . 77 ARG CB . 11414 1 852 . 1 1 77 77 ARG CD C 13 43.524 0.300 . 1 . . . . 77 ARG CD . 11414 1 853 . 1 1 77 77 ARG CG C 13 26.416 0.300 . 1 . . . . 77 ARG CG . 11414 1 854 . 1 1 77 77 ARG N N 15 117.146 0.300 . 1 . . . . 77 ARG N . 11414 1 855 . 1 1 78 78 PRO HA H 1 3.543 0.030 . 1 . . . . 78 PRO HA . 11414 1 856 . 1 1 78 78 PRO HB2 H 1 1.833 0.030 . 1 . . . . 78 PRO HB2 . 11414 1 857 . 1 1 78 78 PRO HB3 H 1 1.833 0.030 . 1 . . . . 78 PRO HB3 . 11414 1 858 . 1 1 78 78 PRO HD2 H 1 3.120 0.030 . 2 . . . . 78 PRO HD2 . 11414 1 859 . 1 1 78 78 PRO HD3 H 1 3.610 0.030 . 2 . . . . 78 PRO HD3 . 11414 1 860 . 1 1 78 78 PRO HG2 H 1 1.606 0.030 . 2 . . . . 78 PRO HG2 . 11414 1 861 . 1 1 78 78 PRO HG3 H 1 1.960 0.030 . 2 . . . . 78 PRO HG3 . 11414 1 862 . 1 1 78 78 PRO C C 13 178.147 0.300 . 1 . . . . 78 PRO C . 11414 1 863 . 1 1 78 78 PRO CA C 13 64.572 0.300 . 1 . . . . 78 PRO CA . 11414 1 864 . 1 1 78 78 PRO CB C 13 31.193 0.300 . 1 . . . . 78 PRO CB . 11414 1 865 . 1 1 78 78 PRO CD C 13 50.219 0.300 . 1 . . . . 78 PRO CD . 11414 1 866 . 1 1 78 78 PRO CG C 13 26.582 0.300 . 1 . . . . 78 PRO CG . 11414 1 867 . 1 1 79 79 ASP H H 1 8.669 0.030 . 1 . . . . 79 ASP H . 11414 1 868 . 1 1 79 79 ASP HA H 1 4.356 0.030 . 1 . . . . 79 ASP HA . 11414 1 869 . 1 1 79 79 ASP HB2 H 1 2.568 0.030 . 2 . . . . 79 ASP HB2 . 11414 1 870 . 1 1 79 79 ASP HB3 H 1 2.745 0.030 . 2 . . . . 79 ASP HB3 . 11414 1 871 . 1 1 79 79 ASP C C 13 179.427 0.300 . 1 . . . . 79 ASP C . 11414 1 872 . 1 1 79 79 ASP CA C 13 56.181 0.300 . 1 . . . . 79 ASP CA . 11414 1 873 . 1 1 79 79 ASP CB C 13 38.363 0.300 . 1 . . . . 79 ASP CB . 11414 1 874 . 1 1 79 79 ASP N N 15 116.049 0.300 . 1 . . . . 79 ASP N . 11414 1 875 . 1 1 80 80 HIS H H 1 7.070 0.030 . 1 . . . . 80 HIS H . 11414 1 876 . 1 1 80 80 HIS HA H 1 4.572 0.030 . 1 . . . . 80 HIS HA . 11414 1 877 . 1 1 80 80 HIS HB2 H 1 3.351 0.030 . 1 . . . . 80 HIS HB2 . 11414 1 878 . 1 1 80 80 HIS HB3 H 1 3.351 0.030 . 1 . . . . 80 HIS HB3 . 11414 1 879 . 1 1 80 80 HIS HD2 H 1 6.929 0.030 . 1 . . . . 80 HIS HD2 . 11414 1 880 . 1 1 80 80 HIS HE1 H 1 7.825 0.030 . 1 . . . . 80 HIS HE1 . 11414 1 881 . 1 1 80 80 HIS C C 13 178.215 0.300 . 1 . . . . 80 HIS C . 11414 1 882 . 1 1 80 80 HIS CA C 13 56.928 0.300 . 1 . . . . 80 HIS CA . 11414 1 883 . 1 1 80 80 HIS CB C 13 31.878 0.300 . 1 . . . . 80 HIS CB . 11414 1 884 . 1 1 80 80 HIS CD2 C 13 116.601 0.300 . 1 . . . . 80 HIS CD2 . 11414 1 885 . 1 1 80 80 HIS CE1 C 13 139.025 0.300 . 1 . . . . 80 HIS CE1 . 11414 1 886 . 1 1 80 80 HIS N N 15 121.036 0.300 . 1 . . . . 80 HIS N . 11414 1 887 . 1 1 81 81 LEU H H 1 6.914 0.030 . 1 . . . . 81 LEU H . 11414 1 888 . 1 1 81 81 LEU HA H 1 3.249 0.030 . 1 . . . . 81 LEU HA . 11414 1 889 . 1 1 81 81 LEU HB2 H 1 1.963 0.030 . 2 . . . . 81 LEU HB2 . 11414 1 890 . 1 1 81 81 LEU HB3 H 1 1.322 0.030 . 2 . . . . 81 LEU HB3 . 11414 1 891 . 1 1 81 81 LEU HD11 H 1 1.102 0.030 . 1 . . . . 81 LEU HD1 . 11414 1 892 . 1 1 81 81 LEU HD12 H 1 1.102 0.030 . 1 . . . . 81 LEU HD1 . 11414 1 893 . 1 1 81 81 LEU HD13 H 1 1.102 0.030 . 1 . . . . 81 LEU HD1 . 11414 1 894 . 1 1 81 81 LEU HD21 H 1 1.069 0.030 . 1 . . . . 81 LEU HD2 . 11414 1 895 . 1 1 81 81 LEU HD22 H 1 1.069 0.030 . 1 . . . . 81 LEU HD2 . 11414 1 896 . 1 1 81 81 LEU HD23 H 1 1.069 0.030 . 1 . . . . 81 LEU HD2 . 11414 1 897 . 1 1 81 81 LEU HG H 1 1.643 0.030 . 1 . . . . 81 LEU HG . 11414 1 898 . 1 1 81 81 LEU C C 13 177.226 0.300 . 1 . . . . 81 LEU C . 11414 1 899 . 1 1 81 81 LEU CA C 13 57.975 0.300 . 1 . . . . 81 LEU CA . 11414 1 900 . 1 1 81 81 LEU CB C 13 40.135 0.300 . 1 . . . . 81 LEU CB . 11414 1 901 . 1 1 81 81 LEU CD1 C 13 22.651 0.300 . 2 . . . . 81 LEU CD1 . 11414 1 902 . 1 1 81 81 LEU CD2 C 13 26.477 0.300 . 2 . . . . 81 LEU CD2 . 11414 1 903 . 1 1 81 81 LEU CG C 13 27.623 0.300 . 1 . . . . 81 LEU CG . 11414 1 904 . 1 1 81 81 LEU N N 15 121.011 0.300 . 1 . . . . 81 LEU N . 11414 1 905 . 1 1 82 82 ASN H H 1 8.239 0.030 . 1 . . . . 82 ASN H . 11414 1 906 . 1 1 82 82 ASN HA H 1 4.410 0.030 . 1 . . . . 82 ASN HA . 11414 1 907 . 1 1 82 82 ASN HB2 H 1 2.787 0.030 . 1 . . . . 82 ASN HB2 . 11414 1 908 . 1 1 82 82 ASN HB3 H 1 2.787 0.030 . 1 . . . . 82 ASN HB3 . 11414 1 909 . 1 1 82 82 ASN HD21 H 1 7.599 0.030 . 2 . . . . 82 ASN HD21 . 11414 1 910 . 1 1 82 82 ASN HD22 H 1 6.876 0.030 . 2 . . . . 82 ASN HD22 . 11414 1 911 . 1 1 82 82 ASN C C 13 178.348 0.300 . 1 . . . . 82 ASN C . 11414 1 912 . 1 1 82 82 ASN CA C 13 56.773 0.300 . 1 . . . . 82 ASN CA . 11414 1 913 . 1 1 82 82 ASN CB C 13 37.997 0.300 . 1 . . . . 82 ASN CB . 11414 1 914 . 1 1 82 82 ASN N N 15 117.792 0.300 . 1 . . . . 82 ASN N . 11414 1 915 . 1 1 82 82 ASN ND2 N 15 112.132 0.300 . 1 . . . . 82 ASN ND2 . 11414 1 916 . 1 1 83 83 GLY H H 1 8.175 0.030 . 1 . . . . 83 GLY H . 11414 1 917 . 1 1 83 83 GLY HA2 H 1 3.845 0.030 . 2 . . . . 83 GLY HA2 . 11414 1 918 . 1 1 83 83 GLY HA3 H 1 3.938 0.030 . 2 . . . . 83 GLY HA3 . 11414 1 919 . 1 1 83 83 GLY C C 13 175.392 0.300 . 1 . . . . 83 GLY C . 11414 1 920 . 1 1 83 83 GLY CA C 13 47.173 0.300 . 1 . . . . 83 GLY CA . 11414 1 921 . 1 1 83 83 GLY N N 15 107.077 0.300 . 1 . . . . 83 GLY N . 11414 1 922 . 1 1 84 84 HIS H H 1 7.550 0.030 . 1 . . . . 84 HIS H . 11414 1 923 . 1 1 84 84 HIS HA H 1 4.363 0.030 . 1 . . . . 84 HIS HA . 11414 1 924 . 1 1 84 84 HIS HB2 H 1 2.882 0.030 . 2 . . . . 84 HIS HB2 . 11414 1 925 . 1 1 84 84 HIS HB3 H 1 3.325 0.030 . 2 . . . . 84 HIS HB3 . 11414 1 926 . 1 1 84 84 HIS HD2 H 1 7.204 0.030 . 1 . . . . 84 HIS HD2 . 11414 1 927 . 1 1 84 84 HIS HE1 H 1 8.102 0.030 . 1 . . . . 84 HIS HE1 . 11414 1 928 . 1 1 84 84 HIS C C 13 176.325 0.300 . 1 . . . . 84 HIS C . 11414 1 929 . 1 1 84 84 HIS CA C 13 59.438 0.300 . 1 . . . . 84 HIS CA . 11414 1 930 . 1 1 84 84 HIS CB C 13 28.410 0.300 . 1 . . . . 84 HIS CB . 11414 1 931 . 1 1 84 84 HIS CD2 C 13 127.876 0.300 . 1 . . . . 84 HIS CD2 . 11414 1 932 . 1 1 84 84 HIS CE1 C 13 139.409 0.300 . 1 . . . . 84 HIS CE1 . 11414 1 933 . 1 1 84 84 HIS N N 15 121.965 0.300 . 1 . . . . 84 HIS N . 11414 1 934 . 1 1 85 85 ILE H H 1 8.527 0.030 . 1 . . . . 85 ILE H . 11414 1 935 . 1 1 85 85 ILE HA H 1 3.453 0.030 . 1 . . . . 85 ILE HA . 11414 1 936 . 1 1 85 85 ILE HB H 1 1.977 0.030 . 1 . . . . 85 ILE HB . 11414 1 937 . 1 1 85 85 ILE HD11 H 1 1.126 0.030 . 1 . . . . 85 ILE HD1 . 11414 1 938 . 1 1 85 85 ILE HD12 H 1 1.126 0.030 . 1 . . . . 85 ILE HD1 . 11414 1 939 . 1 1 85 85 ILE HD13 H 1 1.126 0.030 . 1 . . . . 85 ILE HD1 . 11414 1 940 . 1 1 85 85 ILE HG12 H 1 2.168 0.030 . 2 . . . . 85 ILE HG12 . 11414 1 941 . 1 1 85 85 ILE HG13 H 1 1.464 0.030 . 2 . . . . 85 ILE HG13 . 11414 1 942 . 1 1 85 85 ILE HG21 H 1 1.015 0.030 . 1 . . . . 85 ILE HG2 . 11414 1 943 . 1 1 85 85 ILE HG22 H 1 1.015 0.030 . 1 . . . . 85 ILE HG2 . 11414 1 944 . 1 1 85 85 ILE HG23 H 1 1.015 0.030 . 1 . . . . 85 ILE HG2 . 11414 1 945 . 1 1 85 85 ILE C C 13 178.865 0.300 . 1 . . . . 85 ILE C . 11414 1 946 . 1 1 85 85 ILE CA C 13 66.696 0.300 . 1 . . . . 85 ILE CA . 11414 1 947 . 1 1 85 85 ILE CB C 13 38.501 0.300 . 1 . . . . 85 ILE CB . 11414 1 948 . 1 1 85 85 ILE CD1 C 13 14.227 0.300 . 1 . . . . 85 ILE CD1 . 11414 1 949 . 1 1 85 85 ILE CG1 C 13 30.565 0.300 . 1 . . . . 85 ILE CG1 . 11414 1 950 . 1 1 85 85 ILE CG2 C 13 17.381 0.300 . 1 . . . . 85 ILE CG2 . 11414 1 951 . 1 1 85 85 ILE N N 15 120.350 0.300 . 1 . . . . 85 ILE N . 11414 1 952 . 1 1 86 86 LYS H H 1 7.658 0.030 . 1 . . . . 86 LYS H . 11414 1 953 . 1 1 86 86 LYS HA H 1 4.010 0.030 . 1 . . . . 86 LYS HA . 11414 1 954 . 1 1 86 86 LYS HB2 H 1 1.911 0.030 . 1 . . . . 86 LYS HB2 . 11414 1 955 . 1 1 86 86 LYS HB3 H 1 1.911 0.030 . 1 . . . . 86 LYS HB3 . 11414 1 956 . 1 1 86 86 LYS HD2 H 1 1.685 0.030 . 1 . . . . 86 LYS HD2 . 11414 1 957 . 1 1 86 86 LYS HD3 H 1 1.685 0.030 . 1 . . . . 86 LYS HD3 . 11414 1 958 . 1 1 86 86 LYS HE2 H 1 2.930 0.030 . 1 . . . . 86 LYS HE2 . 11414 1 959 . 1 1 86 86 LYS HE3 H 1 2.930 0.030 . 1 . . . . 86 LYS HE3 . 11414 1 960 . 1 1 86 86 LYS HG2 H 1 1.453 0.030 . 2 . . . . 86 LYS HG2 . 11414 1 961 . 1 1 86 86 LYS HG3 H 1 1.535 0.030 . 2 . . . . 86 LYS HG3 . 11414 1 962 . 1 1 86 86 LYS C C 13 177.959 0.300 . 1 . . . . 86 LYS C . 11414 1 963 . 1 1 86 86 LYS CA C 13 58.856 0.300 . 1 . . . . 86 LYS CA . 11414 1 964 . 1 1 86 86 LYS CB C 13 32.553 0.300 . 1 . . . . 86 LYS CB . 11414 1 965 . 1 1 86 86 LYS CD C 13 29.075 0.300 . 1 . . . . 86 LYS CD . 11414 1 966 . 1 1 86 86 LYS CE C 13 42.381 0.300 . 1 . . . . 86 LYS CE . 11414 1 967 . 1 1 86 86 LYS CG C 13 24.995 0.300 . 1 . . . . 86 LYS CG . 11414 1 968 . 1 1 86 86 LYS N N 15 118.146 0.300 . 1 . . . . 86 LYS N . 11414 1 969 . 1 1 87 87 GLN H H 1 7.887 0.030 . 1 . . . . 87 GLN H . 11414 1 970 . 1 1 87 87 GLN HA H 1 4.118 0.030 . 1 . . . . 87 GLN HA . 11414 1 971 . 1 1 87 87 GLN HB2 H 1 2.116 0.030 . 2 . . . . 87 GLN HB2 . 11414 1 972 . 1 1 87 87 GLN HB3 H 1 2.080 0.030 . 2 . . . . 87 GLN HB3 . 11414 1 973 . 1 1 87 87 GLN HE21 H 1 7.378 0.030 . 2 . . . . 87 GLN HE21 . 11414 1 974 . 1 1 87 87 GLN HE22 H 1 6.808 0.030 . 2 . . . . 87 GLN HE22 . 11414 1 975 . 1 1 87 87 GLN HG2 H 1 2.342 0.030 . 2 . . . . 87 GLN HG2 . 11414 1 976 . 1 1 87 87 GLN HG3 H 1 2.472 0.030 . 2 . . . . 87 GLN HG3 . 11414 1 977 . 1 1 87 87 GLN C C 13 177.859 0.300 . 1 . . . . 87 GLN C . 11414 1 978 . 1 1 87 87 GLN CA C 13 58.376 0.300 . 1 . . . . 87 GLN CA . 11414 1 979 . 1 1 87 87 GLN CB C 13 29.776 0.300 . 1 . . . . 87 GLN CB . 11414 1 980 . 1 1 87 87 GLN CG C 13 33.983 0.300 . 1 . . . . 87 GLN CG . 11414 1 981 . 1 1 87 87 GLN N N 15 116.269 0.300 . 1 . . . . 87 GLN N . 11414 1 982 . 1 1 87 87 GLN NE2 N 15 111.599 0.300 . 1 . . . . 87 GLN NE2 . 11414 1 983 . 1 1 88 88 VAL H H 1 8.201 0.030 . 1 . . . . 88 VAL H . 11414 1 984 . 1 1 88 88 VAL HA H 1 4.016 0.030 . 1 . . . . 88 VAL HA . 11414 1 985 . 1 1 88 88 VAL HB H 1 0.991 0.030 . 1 . . . . 88 VAL HB . 11414 1 986 . 1 1 88 88 VAL HG11 H 1 0.460 0.030 . 1 . . . . 88 VAL HG1 . 11414 1 987 . 1 1 88 88 VAL HG12 H 1 0.460 0.030 . 1 . . . . 88 VAL HG1 . 11414 1 988 . 1 1 88 88 VAL HG13 H 1 0.460 0.030 . 1 . . . . 88 VAL HG1 . 11414 1 989 . 1 1 88 88 VAL HG21 H 1 0.562 0.030 . 1 . . . . 88 VAL HG2 . 11414 1 990 . 1 1 88 88 VAL HG22 H 1 0.562 0.030 . 1 . . . . 88 VAL HG2 . 11414 1 991 . 1 1 88 88 VAL HG23 H 1 0.562 0.030 . 1 . . . . 88 VAL HG2 . 11414 1 992 . 1 1 88 88 VAL C C 13 176.305 0.300 . 1 . . . . 88 VAL C . 11414 1 993 . 1 1 88 88 VAL CA C 13 63.597 0.300 . 1 . . . . 88 VAL CA . 11414 1 994 . 1 1 88 88 VAL CB C 13 33.273 0.300 . 1 . . . . 88 VAL CB . 11414 1 995 . 1 1 88 88 VAL CG1 C 13 21.358 0.300 . 2 . . . . 88 VAL CG1 . 11414 1 996 . 1 1 88 88 VAL CG2 C 13 21.786 0.300 . 2 . . . . 88 VAL CG2 . 11414 1 997 . 1 1 88 88 VAL N N 15 114.275 0.300 . 1 . . . . 88 VAL N . 11414 1 998 . 1 1 89 89 HIS H H 1 7.546 0.030 . 1 . . . . 89 HIS H . 11414 1 999 . 1 1 89 89 HIS HA H 1 5.278 0.030 . 1 . . . . 89 HIS HA . 11414 1 1000 . 1 1 89 89 HIS HB2 H 1 3.200 0.030 . 2 . . . . 89 HIS HB2 . 11414 1 1001 . 1 1 89 89 HIS HB3 H 1 3.482 0.030 . 2 . . . . 89 HIS HB3 . 11414 1 1002 . 1 1 89 89 HIS HD2 H 1 6.669 0.030 . 1 . . . . 89 HIS HD2 . 11414 1 1003 . 1 1 89 89 HIS HE1 H 1 8.043 0.030 . 1 . . . . 89 HIS HE1 . 11414 1 1004 . 1 1 89 89 HIS C C 13 175.090 0.300 . 1 . . . . 89 HIS C . 11414 1 1005 . 1 1 89 89 HIS CA C 13 53.992 0.300 . 1 . . . . 89 HIS CA . 11414 1 1006 . 1 1 89 89 HIS CB C 13 29.121 0.300 . 1 . . . . 89 HIS CB . 11414 1 1007 . 1 1 89 89 HIS CD2 C 13 127.867 0.300 . 1 . . . . 89 HIS CD2 . 11414 1 1008 . 1 1 89 89 HIS CE1 C 13 139.689 0.300 . 1 . . . . 89 HIS CE1 . 11414 1 1009 . 1 1 89 89 HIS N N 15 116.289 0.300 . 1 . . . . 89 HIS N . 11414 1 1010 . 1 1 90 90 SER H H 1 7.880 0.030 . 1 . . . . 90 SER H . 11414 1 1011 . 1 1 90 90 SER HA H 1 4.631 0.030 . 1 . . . . 90 SER HA . 11414 1 1012 . 1 1 90 90 SER HB2 H 1 4.005 0.030 . 1 . . . . 90 SER HB2 . 11414 1 1013 . 1 1 90 90 SER HB3 H 1 4.005 0.030 . 1 . . . . 90 SER HB3 . 11414 1 1014 . 1 1 90 90 SER C C 13 174.464 0.300 . 1 . . . . 90 SER C . 11414 1 1015 . 1 1 90 90 SER CA C 13 58.909 0.300 . 1 . . . . 90 SER CA . 11414 1 1016 . 1 1 90 90 SER CB C 13 64.008 0.300 . 1 . . . . 90 SER CB . 11414 1 1017 . 1 1 90 90 SER N N 15 114.728 0.300 . 1 . . . . 90 SER N . 11414 1 1018 . 1 1 91 91 GLY H H 1 8.276 0.030 . 1 . . . . 91 GLY H . 11414 1 1019 . 1 1 91 91 GLY HA2 H 1 4.183 0.030 . 2 . . . . 91 GLY HA2 . 11414 1 1020 . 1 1 91 91 GLY HA3 H 1 4.110 0.030 . 2 . . . . 91 GLY HA3 . 11414 1 1021 . 1 1 91 91 GLY C C 13 171.871 0.300 . 1 . . . . 91 GLY C . 11414 1 1022 . 1 1 91 91 GLY CA C 13 44.725 0.300 . 1 . . . . 91 GLY CA . 11414 1 1023 . 1 1 91 91 GLY N N 15 110.512 0.300 . 1 . . . . 91 GLY N . 11414 1 1024 . 1 1 92 92 PRO HA H 1 4.509 0.030 . 1 . . . . 92 PRO HA . 11414 1 1025 . 1 1 92 92 PRO HB2 H 1 2.329 0.030 . 2 . . . . 92 PRO HB2 . 11414 1 1026 . 1 1 92 92 PRO HB3 H 1 2.020 0.030 . 2 . . . . 92 PRO HB3 . 11414 1 1027 . 1 1 92 92 PRO HD2 H 1 3.665 0.030 . 1 . . . . 92 PRO HD2 . 11414 1 1028 . 1 1 92 92 PRO HD3 H 1 3.665 0.030 . 1 . . . . 92 PRO HD3 . 11414 1 1029 . 1 1 92 92 PRO HG2 H 1 2.055 0.030 . 2 . . . . 92 PRO HG2 . 11414 1 1030 . 1 1 92 92 PRO HG3 H 1 1.810 0.030 . 2 . . . . 92 PRO HG3 . 11414 1 1031 . 1 1 92 92 PRO CA C 13 63.406 0.300 . 1 . . . . 92 PRO CA . 11414 1 1032 . 1 1 92 92 PRO CB C 13 32.233 0.300 . 1 . . . . 92 PRO CB . 11414 1 1033 . 1 1 92 92 PRO CD C 13 49.918 0.300 . 1 . . . . 92 PRO CD . 11414 1 1034 . 1 1 92 92 PRO CG C 13 27.182 0.300 . 1 . . . . 92 PRO CG . 11414 1 1035 . 1 1 94 94 SER CA C 13 58.477 0.300 . 1 . . . . 94 SER CA . 11414 1 1036 . 1 1 94 94 SER CB C 13 64.069 0.300 . 1 . . . . 94 SER CB . 11414 1 1037 . 1 1 95 95 GLY H H 1 8.041 0.030 . 1 . . . . 95 GLY H . 11414 1 1038 . 1 1 95 95 GLY N N 15 116.893 0.300 . 1 . . . . 95 GLY N . 11414 1 stop_ save_