data_11333 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11333 _Entry.Title ; Solution structure of the CHY zinc finger domain of the RING finger and CHY zinc finger domain-containing protein 1 from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Miyamoto . . . 11333 2 T. Kigawa . . . 11333 3 S. Koshiba . . . 11333 4 M. Inoue . . . 11333 5 S. Yokoyama . . . 11333 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)' . 11333 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11333 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 573 11333 '15N chemical shifts' 137 11333 '1H chemical shifts' 903 11333 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 . . 2011-08-19 2010-08-10 original author . 11333 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DKT 'BMRB Entry Tracking System' 11333 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11333 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the CHY zinc finger domain of the RING finger and CHY zinc finger domain-containing protein 1 from Mus musculus ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11333 1 2 T. Kigawa . . . 11333 1 3 S. Koshiba . . . 11333 1 4 M. Inoue . . . 11333 1 5 S. Yokoyama . . . 11333 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11333 _Assembly.ID 1 _Assembly.Name 'RING finger and CHY zinc finger domain-containing protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 7 _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 'CHY domian' 1 $entity_1 A . yes native no no . . . 11333 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11333 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11333 1 4 'ZINC ION no.3' 2 $ZN D . no native no no . . . 11333 1 5 'ZINC ION no.4' 2 $ZN E . no native no no . . . 11333 1 6 'ZINC ION no.5' 2 $ZN F . no native no no . . . 11333 1 7 'ZINC ION no.6' 2 $ZN G . no native no no . . . 11333 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 'CHY domian' 1 CYS 19 19 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 19 CYS SG . . . . ZN 11333 1 2 coordination single . 1 'CHY domian' 1 HIS 21 21 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 HIS ND1 . . . . ZN 11333 1 3 coordination single . 1 'CHY domian' 1 CYS 39 39 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 39 CYS SG . . . . ZN 11333 1 4 coordination single . 1 'CHY domian' 1 CYS 42 42 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11333 1 5 coordination single . 1 'CHY domian' 1 CYS 32 32 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 32 CYS SG . . . . ZN 11333 1 6 coordination single . 1 'CHY domian' 1 CYS 33 33 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11333 1 7 coordination single . 1 'CHY domian' 1 HIS 43 43 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 43 HIS NE2 . . . . ZN 11333 1 8 coordination single . 1 'CHY domian' 1 HIS 49 49 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 49 HIS NE2 . . . . ZN 11333 1 9 coordination single . 1 'CHY domian' 1 CYS 61 61 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 61 CYS SG . . . . ZN 11333 1 10 coordination single . 1 'CHY domian' 1 CYS 64 64 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 64 CYS SG . . . . ZN 11333 1 11 coordination single . 1 'CHY domian' 1 CYS 74 74 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 74 CYS SG . . . . ZN 11333 1 12 coordination single . 1 'CHY domian' 1 CYS 77 77 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 77 CYS SG . . . . ZN 11333 1 13 coordination single . 1 'CHY domian' 1 CYS 86 86 SG . 5 'ZINC ION no.4' 2 ZN 1 1 ZN . . 86 CYS SG . . . . ZN 11333 1 14 coordination single . 1 'CHY domian' 1 CYS 89 89 SG . 5 'ZINC ION no.4' 2 ZN 1 1 ZN . . 89 CYS SG . . . . ZN 11333 1 15 coordination single . 1 'CHY domian' 1 HIS 100 100 ND1 . 5 'ZINC ION no.4' 2 ZN 1 1 ZN . . 100 HIS ND1 . . . . ZN 11333 1 16 coordination single . 1 'CHY domian' 1 CYS 107 107 SG . 5 'ZINC ION no.4' 2 ZN 1 1 ZN . . 107 CYS SG . . . . ZN 11333 1 17 coordination single . 1 'CHY domian' 1 CYS 101 101 SG . 6 'ZINC ION no.5' 2 ZN 1 1 ZN . . 101 CYS SG . . . . ZN 11333 1 18 coordination single . 1 'CHY domian' 1 CYS 104 104 SG . 6 'ZINC ION no.5' 2 ZN 1 1 ZN . . 104 CYS SG . . . . ZN 11333 1 19 coordination single . 1 'CHY domian' 1 HIS 117 117 ND1 . 6 'ZINC ION no.5' 2 ZN 1 1 ZN . . 117 HIS ND1 . . . . ZN 11333 1 20 coordination single . 1 'CHY domian' 1 CYS 124 124 SG . 6 'ZINC ION no.5' 2 ZN 1 1 ZN . . 124 CYS SG . . . . ZN 11333 1 21 coordination single . 1 'CHY domian' 1 CYS 118 118 SG . 7 'ZINC ION no.6' 2 ZN 1 1 ZN . . 118 CYS SG . . . . ZN 11333 1 22 coordination single . 1 'CHY domian' 1 CYS 121 121 SG . 7 'ZINC ION no.6' 2 ZN 1 1 ZN . . 121 CYS SG . . . . ZN 11333 1 23 coordination single . 1 'CHY domian' 1 HIS 133 133 NE2 . 7 'ZINC ION no.6' 2 ZN 1 1 ZN . . 133 HIS NE2 . . . . ZN 11333 1 24 coordination single . 1 'CHY domian' 1 CYS 135 135 SG . 7 'ZINC ION no.6' 2 ZN 1 1 ZN . . 135 CYS SG . . . . ZN 11333 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 133 133 HE2 . 133 HIS HE2 11333 1 . . 1 1 CYS 135 135 HG . 135 CYS HG 11333 1 . . 1 1 CYS 118 118 HG . 118 CYS HG 11333 1 . . 1 1 CYS 121 121 HG . 121 CYS HG 11333 1 . . 1 1 HIS 117 117 HD1 . 117 HIS HD1 11333 1 . . 1 1 CYS 124 124 HG . 124 CYS HG 11333 1 . . 1 1 CYS 101 101 HG . 101 CYS HG 11333 1 . . 1 1 CYS 104 104 HG . 104 CYS HG 11333 1 . . 1 1 HIS 100 100 HD1 . 100 HIS HD1 11333 1 . . 1 1 CYS 107 107 HG . 107 CYS HG 11333 1 . . 1 1 CYS 86 86 HG . 86 CYS HG 11333 1 . . 1 1 CYS 89 89 HG . 89 CYS HG 11333 1 . . 1 1 CYS 74 74 HG . 74 CYS HG 11333 1 . . 1 1 CYS 77 77 HG . 77 CYS HG 11333 1 . . 1 1 CYS 61 61 HG . 61 CYS HG 11333 1 . . 1 1 CYS 64 64 HG . 64 CYS HG 11333 1 . . 1 1 HIS 43 43 HE2 . 43 HIS HE2 11333 1 . . 1 1 HIS 49 49 HE2 . 49 HIS HE2 11333 1 . . 1 1 CYS 32 32 HG . 32 CYS HG 11333 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11333 1 . . 1 1 CYS 39 39 HG . 39 CYS HG 11333 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11333 1 . . 1 1 CYS 19 19 HG . 19 CYS HG 11333 1 . . 1 1 HIS 21 21 HD1 . 21 HIS HD1 11333 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 2dkt . . . . . . 11333 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11333 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CHY domian' _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 ; GSSGSSGGVRNLAQGPRGCE HYDRACLLKAPCCDKLYTCR LCHDTNEDHQLDRFKVKEVQ CINCEKLQHAQQTCEDCSTL FGEYYCSICHLFDKDKRQYH CESCGICRIGPKEDFFHCLK CNLCLTTNLRGKHKCIESGP SSG ; _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 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2DKT . "Solution Structure Of The Chy Zinc Finger Domain Of The Ring Finger And Chy Zinc Finger Domain-Containing Protein 1 From Mus Mu" . . . . . 100.00 143 100.00 100.00 9.77e-98 . . . . 11333 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CHY domian' . 11333 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 . 11333 1 2 . SER . 11333 1 3 . SER . 11333 1 4 . GLY . 11333 1 5 . SER . 11333 1 6 . SER . 11333 1 7 . GLY . 11333 1 8 . GLY . 11333 1 9 . VAL . 11333 1 10 . ARG . 11333 1 11 . ASN . 11333 1 12 . LEU . 11333 1 13 . ALA . 11333 1 14 . GLN . 11333 1 15 . GLY . 11333 1 16 . PRO . 11333 1 17 . ARG . 11333 1 18 . GLY . 11333 1 19 . CYS . 11333 1 20 . GLU . 11333 1 21 . HIS . 11333 1 22 . TYR . 11333 1 23 . ASP . 11333 1 24 . ARG . 11333 1 25 . ALA . 11333 1 26 . CYS . 11333 1 27 . LEU . 11333 1 28 . LEU . 11333 1 29 . LYS . 11333 1 30 . ALA . 11333 1 31 . PRO . 11333 1 32 . CYS . 11333 1 33 . CYS . 11333 1 34 . ASP . 11333 1 35 . LYS . 11333 1 36 . LEU . 11333 1 37 . TYR . 11333 1 38 . THR . 11333 1 39 . CYS . 11333 1 40 . ARG . 11333 1 41 . LEU . 11333 1 42 . CYS . 11333 1 43 . HIS . 11333 1 44 . ASP . 11333 1 45 . THR . 11333 1 46 . ASN . 11333 1 47 . GLU . 11333 1 48 . ASP . 11333 1 49 . HIS . 11333 1 50 . GLN . 11333 1 51 . LEU . 11333 1 52 . ASP . 11333 1 53 . ARG . 11333 1 54 . PHE . 11333 1 55 . LYS . 11333 1 56 . VAL . 11333 1 57 . LYS . 11333 1 58 . GLU . 11333 1 59 . VAL . 11333 1 60 . GLN . 11333 1 61 . CYS . 11333 1 62 . ILE . 11333 1 63 . ASN . 11333 1 64 . CYS . 11333 1 65 . GLU . 11333 1 66 . LYS . 11333 1 67 . LEU . 11333 1 68 . GLN . 11333 1 69 . HIS . 11333 1 70 . ALA . 11333 1 71 . GLN . 11333 1 72 . GLN . 11333 1 73 . THR . 11333 1 74 . CYS . 11333 1 75 . GLU . 11333 1 76 . ASP . 11333 1 77 . CYS . 11333 1 78 . SER . 11333 1 79 . THR . 11333 1 80 . LEU . 11333 1 81 . PHE . 11333 1 82 . GLY . 11333 1 83 . GLU . 11333 1 84 . TYR . 11333 1 85 . TYR . 11333 1 86 . CYS . 11333 1 87 . SER . 11333 1 88 . ILE . 11333 1 89 . CYS . 11333 1 90 . HIS . 11333 1 91 . LEU . 11333 1 92 . PHE . 11333 1 93 . ASP . 11333 1 94 . LYS . 11333 1 95 . ASP . 11333 1 96 . LYS . 11333 1 97 . ARG . 11333 1 98 . GLN . 11333 1 99 . TYR . 11333 1 100 . HIS . 11333 1 101 . CYS . 11333 1 102 . GLU . 11333 1 103 . SER . 11333 1 104 . CYS . 11333 1 105 . GLY . 11333 1 106 . ILE . 11333 1 107 . CYS . 11333 1 108 . ARG . 11333 1 109 . ILE . 11333 1 110 . GLY . 11333 1 111 . PRO . 11333 1 112 . LYS . 11333 1 113 . GLU . 11333 1 114 . ASP . 11333 1 115 . PHE . 11333 1 116 . PHE . 11333 1 117 . HIS . 11333 1 118 . CYS . 11333 1 119 . LEU . 11333 1 120 . LYS . 11333 1 121 . CYS . 11333 1 122 . ASN . 11333 1 123 . LEU . 11333 1 124 . CYS . 11333 1 125 . LEU . 11333 1 126 . THR . 11333 1 127 . THR . 11333 1 128 . ASN . 11333 1 129 . LEU . 11333 1 130 . ARG . 11333 1 131 . GLY . 11333 1 132 . LYS . 11333 1 133 . HIS . 11333 1 134 . LYS . 11333 1 135 . CYS . 11333 1 136 . ILE . 11333 1 137 . GLU . 11333 1 138 . SER . 11333 1 139 . GLY . 11333 1 140 . PRO . 11333 1 141 . SER . 11333 1 142 . SER . 11333 1 143 . GLY . 11333 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 11333 1 . SER 2 2 11333 1 . SER 3 3 11333 1 . GLY 4 4 11333 1 . SER 5 5 11333 1 . SER 6 6 11333 1 . GLY 7 7 11333 1 . GLY 8 8 11333 1 . VAL 9 9 11333 1 . ARG 10 10 11333 1 . ASN 11 11 11333 1 . LEU 12 12 11333 1 . ALA 13 13 11333 1 . GLN 14 14 11333 1 . GLY 15 15 11333 1 . PRO 16 16 11333 1 . ARG 17 17 11333 1 . GLY 18 18 11333 1 . CYS 19 19 11333 1 . GLU 20 20 11333 1 . HIS 21 21 11333 1 . TYR 22 22 11333 1 . ASP 23 23 11333 1 . ARG 24 24 11333 1 . ALA 25 25 11333 1 . CYS 26 26 11333 1 . LEU 27 27 11333 1 . LEU 28 28 11333 1 . LYS 29 29 11333 1 . ALA 30 30 11333 1 . PRO 31 31 11333 1 . CYS 32 32 11333 1 . CYS 33 33 11333 1 . ASP 34 34 11333 1 . LYS 35 35 11333 1 . LEU 36 36 11333 1 . TYR 37 37 11333 1 . THR 38 38 11333 1 . CYS 39 39 11333 1 . ARG 40 40 11333 1 . LEU 41 41 11333 1 . CYS 42 42 11333 1 . HIS 43 43 11333 1 . ASP 44 44 11333 1 . THR 45 45 11333 1 . ASN 46 46 11333 1 . GLU 47 47 11333 1 . ASP 48 48 11333 1 . HIS 49 49 11333 1 . GLN 50 50 11333 1 . LEU 51 51 11333 1 . ASP 52 52 11333 1 . ARG 53 53 11333 1 . PHE 54 54 11333 1 . LYS 55 55 11333 1 . VAL 56 56 11333 1 . LYS 57 57 11333 1 . GLU 58 58 11333 1 . VAL 59 59 11333 1 . GLN 60 60 11333 1 . CYS 61 61 11333 1 . ILE 62 62 11333 1 . ASN 63 63 11333 1 . CYS 64 64 11333 1 . GLU 65 65 11333 1 . LYS 66 66 11333 1 . LEU 67 67 11333 1 . GLN 68 68 11333 1 . HIS 69 69 11333 1 . ALA 70 70 11333 1 . GLN 71 71 11333 1 . GLN 72 72 11333 1 . THR 73 73 11333 1 . CYS 74 74 11333 1 . GLU 75 75 11333 1 . ASP 76 76 11333 1 . CYS 77 77 11333 1 . SER 78 78 11333 1 . THR 79 79 11333 1 . LEU 80 80 11333 1 . PHE 81 81 11333 1 . GLY 82 82 11333 1 . GLU 83 83 11333 1 . TYR 84 84 11333 1 . TYR 85 85 11333 1 . CYS 86 86 11333 1 . SER 87 87 11333 1 . ILE 88 88 11333 1 . CYS 89 89 11333 1 . HIS 90 90 11333 1 . LEU 91 91 11333 1 . PHE 92 92 11333 1 . ASP 93 93 11333 1 . LYS 94 94 11333 1 . ASP 95 95 11333 1 . LYS 96 96 11333 1 . ARG 97 97 11333 1 . GLN 98 98 11333 1 . TYR 99 99 11333 1 . HIS 100 100 11333 1 . CYS 101 101 11333 1 . GLU 102 102 11333 1 . SER 103 103 11333 1 . CYS 104 104 11333 1 . GLY 105 105 11333 1 . ILE 106 106 11333 1 . CYS 107 107 11333 1 . ARG 108 108 11333 1 . ILE 109 109 11333 1 . GLY 110 110 11333 1 . PRO 111 111 11333 1 . LYS 112 112 11333 1 . GLU 113 113 11333 1 . ASP 114 114 11333 1 . PHE 115 115 11333 1 . PHE 116 116 11333 1 . HIS 117 117 11333 1 . CYS 118 118 11333 1 . LEU 119 119 11333 1 . LYS 120 120 11333 1 . CYS 121 121 11333 1 . ASN 122 122 11333 1 . LEU 123 123 11333 1 . CYS 124 124 11333 1 . LEU 125 125 11333 1 . THR 126 126 11333 1 . THR 127 127 11333 1 . ASN 128 128 11333 1 . LEU 129 129 11333 1 . ARG 130 130 11333 1 . GLY 131 131 11333 1 . LYS 132 132 11333 1 . HIS 133 133 11333 1 . LYS 134 134 11333 1 . CYS 135 135 11333 1 . ILE 136 136 11333 1 . GLU 137 137 11333 1 . SER 138 138 11333 1 . GLY 139 139 11333 1 . PRO 140 140 11333 1 . SER 141 141 11333 1 . SER 142 142 11333 1 . GLY 143 143 11333 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11333 _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 . 11333 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 11333 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11333 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 11333 _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 . . P030421-68 . . . . . . 11333 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 11333 _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 11333 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11333 ZN [Zn++] SMILES CACTVS 3.341 11333 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11333 ZN [Zn+2] SMILES ACDLabs 10.04 11333 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11333 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11333 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 11333 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11333 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 . 11333 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11333 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.23mM CHY domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.1mM {ZNCl2;} 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 'CHY domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.23 . . mM . . . . 11333 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11333 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11333 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11333 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11333 1 6 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11333 1 7 H2O . . . . . . solvent 90 . . % . . . . 11333 1 8 D2O . . . . . . solvent 10 . . % . . . . 11333 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 11333 _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 11333 1 pH 7.0 0.05 pH 11333 1 pressure 1 0.001 atm 11333 1 temperature 298 0.1 K 11333 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11333 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11333 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11333 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11333 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11333 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11333 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11333 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11333 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11333 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11333 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9732 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11333 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11333 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11333 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11333 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11333 5 'structure solution' 11333 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 11333 _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 11333 _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 . . . 11333 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 11333 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11333 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11333 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 11333 _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 . . . . . . . . . 11333 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11333 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11333 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 11333 _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 15N-separated NOESY' 1 $sample_1 isotropic 11333 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11333 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 . . 11333 1 2 $NMRPipe . . 11333 1 3 $NMRView . . 11333 1 4 $Kujira . . 11333 1 5 $CYANA . . 11333 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 8 8 GLY HA2 H 1 3.986 0.030 . 1 . . . . 8 GLY HA2 . 11333 1 2 . 1 1 8 8 GLY HA3 H 1 3.986 0.030 . 1 . . . . 8 GLY HA3 . 11333 1 3 . 1 1 8 8 GLY C C 13 174.152 0.300 . 1 . . . . 8 GLY C . 11333 1 4 . 1 1 8 8 GLY CA C 13 45.189 0.300 . 1 . . . . 8 GLY CA . 11333 1 5 . 1 1 9 9 VAL H H 1 8.041 0.030 . 1 . . . . 9 VAL H . 11333 1 6 . 1 1 9 9 VAL HA H 1 4.108 0.030 . 1 . . . . 9 VAL HA . 11333 1 7 . 1 1 9 9 VAL HB H 1 2.075 0.030 . 1 . . . . 9 VAL HB . 11333 1 8 . 1 1 9 9 VAL HG11 H 1 0.941 0.030 . 1 . . . . 9 VAL HG1 . 11333 1 9 . 1 1 9 9 VAL HG12 H 1 0.941 0.030 . 1 . . . . 9 VAL HG1 . 11333 1 10 . 1 1 9 9 VAL HG13 H 1 0.941 0.030 . 1 . . . . 9 VAL HG1 . 11333 1 11 . 1 1 9 9 VAL HG21 H 1 0.932 0.030 . 1 . . . . 9 VAL HG2 . 11333 1 12 . 1 1 9 9 VAL HG22 H 1 0.932 0.030 . 1 . . . . 9 VAL HG2 . 11333 1 13 . 1 1 9 9 VAL HG23 H 1 0.932 0.030 . 1 . . . . 9 VAL HG2 . 11333 1 14 . 1 1 9 9 VAL C C 13 176.298 0.300 . 1 . . . . 9 VAL C . 11333 1 15 . 1 1 9 9 VAL CA C 13 62.539 0.300 . 1 . . . . 9 VAL CA . 11333 1 16 . 1 1 9 9 VAL CB C 13 32.804 0.300 . 1 . . . . 9 VAL CB . 11333 1 17 . 1 1 9 9 VAL CG1 C 13 20.526 0.300 . 2 . . . . 9 VAL CG1 . 11333 1 18 . 1 1 9 9 VAL CG2 C 13 21.256 0.300 . 2 . . . . 9 VAL CG2 . 11333 1 19 . 1 1 9 9 VAL N N 15 119.556 0.300 . 1 . . . . 9 VAL N . 11333 1 20 . 1 1 10 10 ARG H H 1 8.430 0.030 . 1 . . . . 10 ARG H . 11333 1 21 . 1 1 10 10 ARG HA H 1 4.356 0.030 . 1 . . . . 10 ARG HA . 11333 1 22 . 1 1 10 10 ARG HB2 H 1 1.748 0.030 . 2 . . . . 10 ARG HB2 . 11333 1 23 . 1 1 10 10 ARG HB3 H 1 1.824 0.030 . 2 . . . . 10 ARG HB3 . 11333 1 24 . 1 1 10 10 ARG HD2 H 1 3.205 0.030 . 1 . . . . 10 ARG HD2 . 11333 1 25 . 1 1 10 10 ARG HD3 H 1 3.205 0.030 . 1 . . . . 10 ARG HD3 . 11333 1 26 . 1 1 10 10 ARG HG2 H 1 1.598 0.030 . 2 . . . . 10 ARG HG2 . 11333 1 27 . 1 1 10 10 ARG HG3 H 1 1.655 0.030 . 2 . . . . 10 ARG HG3 . 11333 1 28 . 1 1 10 10 ARG C C 13 175.781 0.300 . 1 . . . . 10 ARG C . 11333 1 29 . 1 1 10 10 ARG CA C 13 56.025 0.300 . 1 . . . . 10 ARG CA . 11333 1 30 . 1 1 10 10 ARG CB C 13 30.916 0.300 . 1 . . . . 10 ARG CB . 11333 1 31 . 1 1 10 10 ARG CD C 13 43.426 0.300 . 1 . . . . 10 ARG CD . 11333 1 32 . 1 1 10 10 ARG CG C 13 27.173 0.300 . 1 . . . . 10 ARG CG . 11333 1 33 . 1 1 10 10 ARG N N 15 124.768 0.300 . 1 . . . . 10 ARG N . 11333 1 34 . 1 1 11 11 ASN H H 1 8.457 0.030 . 1 . . . . 11 ASN H . 11333 1 35 . 1 1 11 11 ASN HA H 1 4.716 0.030 . 1 . . . . 11 ASN HA . 11333 1 36 . 1 1 11 11 ASN HB2 H 1 2.744 0.030 . 2 . . . . 11 ASN HB2 . 11333 1 37 . 1 1 11 11 ASN HB3 H 1 2.848 0.030 . 2 . . . . 11 ASN HB3 . 11333 1 38 . 1 1 11 11 ASN HD21 H 1 7.596 0.030 . 2 . . . . 11 ASN HD21 . 11333 1 39 . 1 1 11 11 ASN HD22 H 1 6.912 0.030 . 2 . . . . 11 ASN HD22 . 11333 1 40 . 1 1 11 11 ASN C C 13 175.157 0.300 . 1 . . . . 11 ASN C . 11333 1 41 . 1 1 11 11 ASN CA C 13 53.186 0.300 . 1 . . . . 11 ASN CA . 11333 1 42 . 1 1 11 11 ASN CB C 13 38.846 0.300 . 1 . . . . 11 ASN CB . 11333 1 43 . 1 1 11 11 ASN N N 15 120.360 0.300 . 1 . . . . 11 ASN N . 11333 1 44 . 1 1 11 11 ASN ND2 N 15 112.639 0.300 . 1 . . . . 11 ASN ND2 . 11333 1 45 . 1 1 12 12 LEU H H 1 8.289 0.030 . 1 . . . . 12 LEU H . 11333 1 46 . 1 1 12 12 LEU HA H 1 4.305 0.030 . 1 . . . . 12 LEU HA . 11333 1 47 . 1 1 12 12 LEU HB2 H 1 1.623 0.030 . 1 . . . . 12 LEU HB2 . 11333 1 48 . 1 1 12 12 LEU HB3 H 1 1.623 0.030 . 1 . . . . 12 LEU HB3 . 11333 1 49 . 1 1 12 12 LEU HD11 H 1 0.921 0.030 . 1 . . . . 12 LEU HD1 . 11333 1 50 . 1 1 12 12 LEU HD12 H 1 0.921 0.030 . 1 . . . . 12 LEU HD1 . 11333 1 51 . 1 1 12 12 LEU HD13 H 1 0.921 0.030 . 1 . . . . 12 LEU HD1 . 11333 1 52 . 1 1 12 12 LEU HD21 H 1 0.865 0.030 . 1 . . . . 12 LEU HD2 . 11333 1 53 . 1 1 12 12 LEU HD22 H 1 0.865 0.030 . 1 . . . . 12 LEU HD2 . 11333 1 54 . 1 1 12 12 LEU HD23 H 1 0.865 0.030 . 1 . . . . 12 LEU HD2 . 11333 1 55 . 1 1 12 12 LEU HG H 1 1.625 0.030 . 1 . . . . 12 LEU HG . 11333 1 56 . 1 1 12 12 LEU C C 13 177.226 0.300 . 1 . . . . 12 LEU C . 11333 1 57 . 1 1 12 12 LEU CA C 13 55.361 0.300 . 1 . . . . 12 LEU CA . 11333 1 58 . 1 1 12 12 LEU CB C 13 42.261 0.300 . 1 . . . . 12 LEU CB . 11333 1 59 . 1 1 12 12 LEU CD1 C 13 25.041 0.300 . 2 . . . . 12 LEU CD1 . 11333 1 60 . 1 1 12 12 LEU CD2 C 13 23.388 0.300 . 2 . . . . 12 LEU CD2 . 11333 1 61 . 1 1 12 12 LEU CG C 13 26.939 0.300 . 1 . . . . 12 LEU CG . 11333 1 62 . 1 1 12 12 LEU N N 15 123.172 0.300 . 1 . . . . 12 LEU N . 11333 1 63 . 1 1 13 13 ALA H H 1 8.251 0.030 . 1 . . . . 13 ALA H . 11333 1 64 . 1 1 13 13 ALA HA H 1 4.294 0.030 . 1 . . . . 13 ALA HA . 11333 1 65 . 1 1 13 13 ALA HB1 H 1 1.392 0.030 . 1 . . . . 13 ALA HB . 11333 1 66 . 1 1 13 13 ALA HB2 H 1 1.392 0.030 . 1 . . . . 13 ALA HB . 11333 1 67 . 1 1 13 13 ALA HB3 H 1 1.392 0.030 . 1 . . . . 13 ALA HB . 11333 1 68 . 1 1 13 13 ALA C C 13 177.587 0.300 . 1 . . . . 13 ALA C . 11333 1 69 . 1 1 13 13 ALA CA C 13 52.680 0.300 . 1 . . . . 13 ALA CA . 11333 1 70 . 1 1 13 13 ALA CB C 13 19.043 0.300 . 1 . . . . 13 ALA CB . 11333 1 71 . 1 1 13 13 ALA N N 15 124.276 0.300 . 1 . . . . 13 ALA N . 11333 1 72 . 1 1 14 14 GLN H H 1 8.213 0.030 . 1 . . . . 14 GLN H . 11333 1 73 . 1 1 14 14 GLN HA H 1 4.379 0.030 . 1 . . . . 14 GLN HA . 11333 1 74 . 1 1 14 14 GLN HB2 H 1 1.991 0.030 . 2 . . . . 14 GLN HB2 . 11333 1 75 . 1 1 14 14 GLN HB3 H 1 2.144 0.030 . 2 . . . . 14 GLN HB3 . 11333 1 76 . 1 1 14 14 GLN HE21 H 1 6.859 0.030 . 2 . . . . 14 GLN HE21 . 11333 1 77 . 1 1 14 14 GLN HE22 H 1 7.549 0.030 . 2 . . . . 14 GLN HE22 . 11333 1 78 . 1 1 14 14 GLN HG2 H 1 2.377 0.030 . 1 . . . . 14 GLN HG2 . 11333 1 79 . 1 1 14 14 GLN HG3 H 1 2.377 0.030 . 1 . . . . 14 GLN HG3 . 11333 1 80 . 1 1 14 14 GLN C C 13 176.065 0.300 . 1 . . . . 14 GLN C . 11333 1 81 . 1 1 14 14 GLN CA C 13 55.773 0.300 . 1 . . . . 14 GLN CA . 11333 1 82 . 1 1 14 14 GLN CB C 13 29.845 0.300 . 1 . . . . 14 GLN CB . 11333 1 83 . 1 1 14 14 GLN CG C 13 33.943 0.300 . 1 . . . . 14 GLN CG . 11333 1 84 . 1 1 14 14 GLN N N 15 119.138 0.300 . 1 . . . . 14 GLN N . 11333 1 85 . 1 1 14 14 GLN NE2 N 15 112.528 0.300 . 1 . . . . 14 GLN NE2 . 11333 1 86 . 1 1 15 15 GLY H H 1 8.217 0.030 . 1 . . . . 15 GLY H . 11333 1 87 . 1 1 15 15 GLY HA2 H 1 4.210 0.030 . 2 . . . . 15 GLY HA2 . 11333 1 88 . 1 1 15 15 GLY HA3 H 1 4.076 0.030 . 2 . . . . 15 GLY HA3 . 11333 1 89 . 1 1 15 15 GLY C C 13 171.502 0.300 . 1 . . . . 15 GLY C . 11333 1 90 . 1 1 15 15 GLY CA C 13 44.656 0.300 . 1 . . . . 15 GLY CA . 11333 1 91 . 1 1 15 15 GLY N N 15 110.283 0.300 . 1 . . . . 15 GLY N . 11333 1 92 . 1 1 16 16 PRO HA H 1 4.468 0.030 . 1 . . . . 16 PRO HA . 11333 1 93 . 1 1 16 16 PRO HB2 H 1 2.285 0.030 . 2 . . . . 16 PRO HB2 . 11333 1 94 . 1 1 16 16 PRO HB3 H 1 1.938 0.030 . 2 . . . . 16 PRO HB3 . 11333 1 95 . 1 1 16 16 PRO HD2 H 1 3.659 0.030 . 1 . . . . 16 PRO HD2 . 11333 1 96 . 1 1 16 16 PRO HD3 H 1 3.659 0.030 . 1 . . . . 16 PRO HD3 . 11333 1 97 . 1 1 16 16 PRO HG2 H 1 2.031 0.030 . 1 . . . . 16 PRO HG2 . 11333 1 98 . 1 1 16 16 PRO HG3 H 1 2.031 0.030 . 1 . . . . 16 PRO HG3 . 11333 1 99 . 1 1 16 16 PRO C C 13 176.974 0.300 . 1 . . . . 16 PRO C . 11333 1 100 . 1 1 16 16 PRO CA C 13 63.335 0.300 . 1 . . . . 16 PRO CA . 11333 1 101 . 1 1 16 16 PRO CB C 13 32.228 0.300 . 1 . . . . 16 PRO CB . 11333 1 102 . 1 1 16 16 PRO CD C 13 49.845 0.300 . 1 . . . . 16 PRO CD . 11333 1 103 . 1 1 16 16 PRO CG C 13 27.166 0.300 . 1 . . . . 16 PRO CG . 11333 1 104 . 1 1 17 17 ARG H H 1 8.468 0.030 . 1 . . . . 17 ARG H . 11333 1 105 . 1 1 17 17 ARG HA H 1 4.479 0.030 . 1 . . . . 17 ARG HA . 11333 1 106 . 1 1 17 17 ARG HB2 H 1 1.784 0.030 . 2 . . . . 17 ARG HB2 . 11333 1 107 . 1 1 17 17 ARG HB3 H 1 1.939 0.030 . 2 . . . . 17 ARG HB3 . 11333 1 108 . 1 1 17 17 ARG HD2 H 1 3.195 0.030 . 1 . . . . 17 ARG HD2 . 11333 1 109 . 1 1 17 17 ARG HD3 H 1 3.195 0.030 . 1 . . . . 17 ARG HD3 . 11333 1 110 . 1 1 17 17 ARG HG2 H 1 1.681 0.030 . 1 . . . . 17 ARG HG2 . 11333 1 111 . 1 1 17 17 ARG HG3 H 1 1.681 0.030 . 1 . . . . 17 ARG HG3 . 11333 1 112 . 1 1 17 17 ARG C C 13 175.990 0.300 . 1 . . . . 17 ARG C . 11333 1 113 . 1 1 17 17 ARG CA C 13 55.477 0.300 . 1 . . . . 17 ARG CA . 11333 1 114 . 1 1 17 17 ARG CB C 13 31.338 0.300 . 1 . . . . 17 ARG CB . 11333 1 115 . 1 1 17 17 ARG CD C 13 43.361 0.300 . 1 . . . . 17 ARG CD . 11333 1 116 . 1 1 17 17 ARG CG C 13 27.196 0.300 . 1 . . . . 17 ARG CG . 11333 1 117 . 1 1 17 17 ARG N N 15 120.750 0.300 . 1 . . . . 17 ARG N . 11333 1 118 . 1 1 18 18 GLY H H 1 8.186 0.030 . 1 . . . . 18 GLY H . 11333 1 119 . 1 1 18 18 GLY HA2 H 1 3.959 0.030 . 1 . . . . 18 GLY HA2 . 11333 1 120 . 1 1 18 18 GLY HA3 H 1 3.959 0.030 . 1 . . . . 18 GLY HA3 . 11333 1 121 . 1 1 18 18 GLY C C 13 172.613 0.300 . 1 . . . . 18 GLY C . 11333 1 122 . 1 1 18 18 GLY CA C 13 45.694 0.300 . 1 . . . . 18 GLY CA . 11333 1 123 . 1 1 18 18 GLY N N 15 109.039 0.300 . 1 . . . . 18 GLY N . 11333 1 124 . 1 1 19 19 CYS H H 1 8.686 0.030 . 1 . . . . 19 CYS H . 11333 1 125 . 1 1 19 19 CYS HA H 1 5.023 0.030 . 1 . . . . 19 CYS HA . 11333 1 126 . 1 1 19 19 CYS HB2 H 1 3.262 0.030 . 2 . . . . 19 CYS HB2 . 11333 1 127 . 1 1 19 19 CYS HB3 H 1 2.988 0.030 . 2 . . . . 19 CYS HB3 . 11333 1 128 . 1 1 19 19 CYS C C 13 175.308 0.300 . 1 . . . . 19 CYS C . 11333 1 129 . 1 1 19 19 CYS CA C 13 57.292 0.300 . 1 . . . . 19 CYS CA . 11333 1 130 . 1 1 19 19 CYS CB C 13 33.374 0.300 . 1 . . . . 19 CYS CB . 11333 1 131 . 1 1 19 19 CYS N N 15 120.202 0.300 . 1 . . . . 19 CYS N . 11333 1 132 . 1 1 20 20 GLU H H 1 8.768 0.030 . 1 . . . . 20 GLU H . 11333 1 133 . 1 1 20 20 GLU HA H 1 4.140 0.030 . 1 . . . . 20 GLU HA . 11333 1 134 . 1 1 20 20 GLU HB2 H 1 1.729 0.030 . 1 . . . . 20 GLU HB2 . 11333 1 135 . 1 1 20 20 GLU HB3 H 1 1.729 0.030 . 1 . . . . 20 GLU HB3 . 11333 1 136 . 1 1 20 20 GLU HG2 H 1 1.552 0.030 . 2 . . . . 20 GLU HG2 . 11333 1 137 . 1 1 20 20 GLU HG3 H 1 1.512 0.030 . 2 . . . . 20 GLU HG3 . 11333 1 138 . 1 1 20 20 GLU C C 13 176.142 0.300 . 1 . . . . 20 GLU C . 11333 1 139 . 1 1 20 20 GLU CA C 13 56.851 0.300 . 1 . . . . 20 GLU CA . 11333 1 140 . 1 1 20 20 GLU CB C 13 29.142 0.300 . 1 . . . . 20 GLU CB . 11333 1 141 . 1 1 20 20 GLU CG C 13 34.631 0.300 . 1 . . . . 20 GLU CG . 11333 1 142 . 1 1 20 20 GLU N N 15 116.666 0.300 . 1 . . . . 20 GLU N . 11333 1 143 . 1 1 21 21 HIS H H 1 9.308 0.030 . 1 . . . . 21 HIS H . 11333 1 144 . 1 1 21 21 HIS HA H 1 4.181 0.030 . 1 . . . . 21 HIS HA . 11333 1 145 . 1 1 21 21 HIS HB2 H 1 2.650 0.030 . 2 . . . . 21 HIS HB2 . 11333 1 146 . 1 1 21 21 HIS HB3 H 1 3.627 0.030 . 2 . . . . 21 HIS HB3 . 11333 1 147 . 1 1 21 21 HIS HD2 H 1 7.112 0.030 . 1 . . . . 21 HIS HD2 . 11333 1 148 . 1 1 21 21 HIS HE1 H 1 8.013 0.030 . 1 . . . . 21 HIS HE1 . 11333 1 149 . 1 1 21 21 HIS C C 13 175.094 0.300 . 1 . . . . 21 HIS C . 11333 1 150 . 1 1 21 21 HIS CA C 13 59.286 0.300 . 1 . . . . 21 HIS CA . 11333 1 151 . 1 1 21 21 HIS CB C 13 33.271 0.300 . 1 . . . . 21 HIS CB . 11333 1 152 . 1 1 21 21 HIS CD2 C 13 119.015 0.300 . 1 . . . . 21 HIS CD2 . 11333 1 153 . 1 1 21 21 HIS CE1 C 13 138.646 0.300 . 1 . . . . 21 HIS CE1 . 11333 1 154 . 1 1 21 21 HIS N N 15 122.363 0.300 . 1 . . . . 21 HIS N . 11333 1 155 . 1 1 22 22 TYR H H 1 7.884 0.030 . 1 . . . . 22 TYR H . 11333 1 156 . 1 1 22 22 TYR HA H 1 4.774 0.030 . 1 . . . . 22 TYR HA . 11333 1 157 . 1 1 22 22 TYR HB2 H 1 2.642 0.030 . 2 . . . . 22 TYR HB2 . 11333 1 158 . 1 1 22 22 TYR HB3 H 1 3.459 0.030 . 2 . . . . 22 TYR HB3 . 11333 1 159 . 1 1 22 22 TYR HD1 H 1 7.312 0.030 . 1 . . . . 22 TYR HD1 . 11333 1 160 . 1 1 22 22 TYR HD2 H 1 7.312 0.030 . 1 . . . . 22 TYR HD2 . 11333 1 161 . 1 1 22 22 TYR HE1 H 1 7.003 0.030 . 1 . . . . 22 TYR HE1 . 11333 1 162 . 1 1 22 22 TYR HE2 H 1 7.003 0.030 . 1 . . . . 22 TYR HE2 . 11333 1 163 . 1 1 22 22 TYR C C 13 173.005 0.300 . 1 . . . . 22 TYR C . 11333 1 164 . 1 1 22 22 TYR CA C 13 57.838 0.300 . 1 . . . . 22 TYR CA . 11333 1 165 . 1 1 22 22 TYR CB C 13 45.257 0.300 . 1 . . . . 22 TYR CB . 11333 1 166 . 1 1 22 22 TYR CD1 C 13 134.253 0.300 . 1 . . . . 22 TYR CD1 . 11333 1 167 . 1 1 22 22 TYR CD2 C 13 134.253 0.300 . 1 . . . . 22 TYR CD2 . 11333 1 168 . 1 1 22 22 TYR CE1 C 13 119.199 0.300 . 1 . . . . 22 TYR CE1 . 11333 1 169 . 1 1 22 22 TYR CE2 C 13 119.199 0.300 . 1 . . . . 22 TYR CE2 . 11333 1 170 . 1 1 22 22 TYR N N 15 114.825 0.300 . 1 . . . . 22 TYR N . 11333 1 171 . 1 1 23 23 ASP H H 1 8.450 0.030 . 1 . . . . 23 ASP H . 11333 1 172 . 1 1 23 23 ASP HA H 1 5.205 0.030 . 1 . . . . 23 ASP HA . 11333 1 173 . 1 1 23 23 ASP HB2 H 1 3.015 0.030 . 2 . . . . 23 ASP HB2 . 11333 1 174 . 1 1 23 23 ASP HB3 H 1 2.718 0.030 . 2 . . . . 23 ASP HB3 . 11333 1 175 . 1 1 23 23 ASP C C 13 174.094 0.300 . 1 . . . . 23 ASP C . 11333 1 176 . 1 1 23 23 ASP CA C 13 53.373 0.300 . 1 . . . . 23 ASP CA . 11333 1 177 . 1 1 23 23 ASP CB C 13 41.349 0.300 . 1 . . . . 23 ASP CB . 11333 1 178 . 1 1 23 23 ASP N N 15 121.961 0.300 . 1 . . . . 23 ASP N . 11333 1 179 . 1 1 24 24 ARG H H 1 7.543 0.030 . 1 . . . . 24 ARG H . 11333 1 180 . 1 1 24 24 ARG HA H 1 5.333 0.030 . 1 . . . . 24 ARG HA . 11333 1 181 . 1 1 24 24 ARG HB2 H 1 1.864 0.030 . 2 . . . . 24 ARG HB2 . 11333 1 182 . 1 1 24 24 ARG HB3 H 1 2.200 0.030 . 2 . . . . 24 ARG HB3 . 11333 1 183 . 1 1 24 24 ARG HD2 H 1 3.021 0.030 . 1 . . . . 24 ARG HD2 . 11333 1 184 . 1 1 24 24 ARG HD3 H 1 3.021 0.030 . 1 . . . . 24 ARG HD3 . 11333 1 185 . 1 1 24 24 ARG HE H 1 7.153 0.030 . 1 . . . . 24 ARG HE . 11333 1 186 . 1 1 24 24 ARG HG2 H 1 1.765 0.030 . 2 . . . . 24 ARG HG2 . 11333 1 187 . 1 1 24 24 ARG HG3 H 1 1.825 0.030 . 2 . . . . 24 ARG HG3 . 11333 1 188 . 1 1 24 24 ARG C C 13 174.849 0.300 . 1 . . . . 24 ARG C . 11333 1 189 . 1 1 24 24 ARG CA C 13 54.292 0.300 . 1 . . . . 24 ARG CA . 11333 1 190 . 1 1 24 24 ARG CB C 13 33.987 0.300 . 1 . . . . 24 ARG CB . 11333 1 191 . 1 1 24 24 ARG CD C 13 44.465 0.300 . 1 . . . . 24 ARG CD . 11333 1 192 . 1 1 24 24 ARG CG C 13 23.462 0.300 . 1 . . . . 24 ARG CG . 11333 1 193 . 1 1 24 24 ARG N N 15 116.815 0.300 . 1 . . . . 24 ARG N . 11333 1 194 . 1 1 24 24 ARG NE N 15 90.031 0.300 . 1 . . . . 24 ARG NE . 11333 1 195 . 1 1 25 25 ALA H H 1 8.925 0.030 . 1 . . . . 25 ALA H . 11333 1 196 . 1 1 25 25 ALA HA H 1 4.847 0.030 . 1 . . . . 25 ALA HA . 11333 1 197 . 1 1 25 25 ALA HB1 H 1 1.591 0.030 . 1 . . . . 25 ALA HB . 11333 1 198 . 1 1 25 25 ALA HB2 H 1 1.591 0.030 . 1 . . . . 25 ALA HB . 11333 1 199 . 1 1 25 25 ALA HB3 H 1 1.591 0.030 . 1 . . . . 25 ALA HB . 11333 1 200 . 1 1 25 25 ALA C C 13 173.734 0.300 . 1 . . . . 25 ALA C . 11333 1 201 . 1 1 25 25 ALA CA C 13 50.453 0.300 . 1 . . . . 25 ALA CA . 11333 1 202 . 1 1 25 25 ALA CB C 13 19.218 0.300 . 1 . . . . 25 ALA CB . 11333 1 203 . 1 1 25 25 ALA N N 15 121.560 0.300 . 1 . . . . 25 ALA N . 11333 1 204 . 1 1 26 26 CYS H H 1 6.868 0.030 . 1 . . . . 26 CYS H . 11333 1 205 . 1 1 26 26 CYS HA H 1 5.029 0.030 . 1 . . . . 26 CYS HA . 11333 1 206 . 1 1 26 26 CYS HB2 H 1 1.749 0.030 . 2 . . . . 26 CYS HB2 . 11333 1 207 . 1 1 26 26 CYS HB3 H 1 0.689 0.030 . 2 . . . . 26 CYS HB3 . 11333 1 208 . 1 1 26 26 CYS C C 13 171.441 0.300 . 1 . . . . 26 CYS C . 11333 1 209 . 1 1 26 26 CYS CA C 13 53.167 0.300 . 1 . . . . 26 CYS CA . 11333 1 210 . 1 1 26 26 CYS CB C 13 30.811 0.300 . 1 . . . . 26 CYS CB . 11333 1 211 . 1 1 26 26 CYS N N 15 109.218 0.300 . 1 . . . . 26 CYS N . 11333 1 212 . 1 1 27 27 LEU H H 1 8.273 0.030 . 1 . . . . 27 LEU H . 11333 1 213 . 1 1 27 27 LEU HA H 1 4.594 0.030 . 1 . . . . 27 LEU HA . 11333 1 214 . 1 1 27 27 LEU HB2 H 1 1.299 0.030 . 2 . . . . 27 LEU HB2 . 11333 1 215 . 1 1 27 27 LEU HB3 H 1 1.047 0.030 . 2 . . . . 27 LEU HB3 . 11333 1 216 . 1 1 27 27 LEU HD11 H 1 0.682 0.030 . 1 . . . . 27 LEU HD1 . 11333 1 217 . 1 1 27 27 LEU HD12 H 1 0.682 0.030 . 1 . . . . 27 LEU HD1 . 11333 1 218 . 1 1 27 27 LEU HD13 H 1 0.682 0.030 . 1 . . . . 27 LEU HD1 . 11333 1 219 . 1 1 27 27 LEU HD21 H 1 0.728 0.030 . 1 . . . . 27 LEU HD2 . 11333 1 220 . 1 1 27 27 LEU HD22 H 1 0.728 0.030 . 1 . . . . 27 LEU HD2 . 11333 1 221 . 1 1 27 27 LEU HD23 H 1 0.728 0.030 . 1 . . . . 27 LEU HD2 . 11333 1 222 . 1 1 27 27 LEU HG H 1 1.441 0.030 . 1 . . . . 27 LEU HG . 11333 1 223 . 1 1 27 27 LEU C C 13 176.880 0.300 . 1 . . . . 27 LEU C . 11333 1 224 . 1 1 27 27 LEU CA C 13 53.054 0.300 . 1 . . . . 27 LEU CA . 11333 1 225 . 1 1 27 27 LEU CB C 13 44.598 0.300 . 1 . . . . 27 LEU CB . 11333 1 226 . 1 1 27 27 LEU CD1 C 13 24.420 0.300 . 2 . . . . 27 LEU CD1 . 11333 1 227 . 1 1 27 27 LEU CD2 C 13 26.060 0.300 . 2 . . . . 27 LEU CD2 . 11333 1 228 . 1 1 27 27 LEU CG C 13 27.232 0.300 . 1 . . . . 27 LEU CG . 11333 1 229 . 1 1 27 27 LEU N N 15 115.799 0.300 . 1 . . . . 27 LEU N . 11333 1 230 . 1 1 28 28 LEU H H 1 8.811 0.030 . 1 . . . . 28 LEU H . 11333 1 231 . 1 1 28 28 LEU HA H 1 4.290 0.030 . 1 . . . . 28 LEU HA . 11333 1 232 . 1 1 28 28 LEU HB2 H 1 1.781 0.030 . 2 . . . . 28 LEU HB2 . 11333 1 233 . 1 1 28 28 LEU HB3 H 1 1.234 0.030 . 2 . . . . 28 LEU HB3 . 11333 1 234 . 1 1 28 28 LEU HD11 H 1 0.933 0.030 . 1 . . . . 28 LEU HD1 . 11333 1 235 . 1 1 28 28 LEU HD12 H 1 0.933 0.030 . 1 . . . . 28 LEU HD1 . 11333 1 236 . 1 1 28 28 LEU HD13 H 1 0.933 0.030 . 1 . . . . 28 LEU HD1 . 11333 1 237 . 1 1 28 28 LEU HD21 H 1 0.975 0.030 . 1 . . . . 28 LEU HD2 . 11333 1 238 . 1 1 28 28 LEU HD22 H 1 0.975 0.030 . 1 . . . . 28 LEU HD2 . 11333 1 239 . 1 1 28 28 LEU HD23 H 1 0.975 0.030 . 1 . . . . 28 LEU HD2 . 11333 1 240 . 1 1 28 28 LEU HG H 1 1.858 0.030 . 1 . . . . 28 LEU HG . 11333 1 241 . 1 1 28 28 LEU C C 13 175.600 0.300 . 1 . . . . 28 LEU C . 11333 1 242 . 1 1 28 28 LEU CA C 13 54.535 0.300 . 1 . . . . 28 LEU CA . 11333 1 243 . 1 1 28 28 LEU CB C 13 42.775 0.300 . 1 . . . . 28 LEU CB . 11333 1 244 . 1 1 28 28 LEU CD1 C 13 22.963 0.300 . 2 . . . . 28 LEU CD1 . 11333 1 245 . 1 1 28 28 LEU CD2 C 13 26.646 0.300 . 2 . . . . 28 LEU CD2 . 11333 1 246 . 1 1 28 28 LEU CG C 13 26.627 0.300 . 1 . . . . 28 LEU CG . 11333 1 247 . 1 1 28 28 LEU N N 15 118.999 0.300 . 1 . . . . 28 LEU N . 11333 1 248 . 1 1 29 29 LYS H H 1 7.952 0.030 . 1 . . . . 29 LYS H . 11333 1 249 . 1 1 29 29 LYS HA H 1 4.599 0.030 . 1 . . . . 29 LYS HA . 11333 1 250 . 1 1 29 29 LYS HB2 H 1 1.974 0.030 . 2 . . . . 29 LYS HB2 . 11333 1 251 . 1 1 29 29 LYS HB3 H 1 0.973 0.030 . 2 . . . . 29 LYS HB3 . 11333 1 252 . 1 1 29 29 LYS HD2 H 1 1.535 0.030 . 2 . . . . 29 LYS HD2 . 11333 1 253 . 1 1 29 29 LYS HD3 H 1 1.456 0.030 . 2 . . . . 29 LYS HD3 . 11333 1 254 . 1 1 29 29 LYS HE2 H 1 2.734 0.030 . 2 . . . . 29 LYS HE2 . 11333 1 255 . 1 1 29 29 LYS HE3 H 1 2.830 0.030 . 2 . . . . 29 LYS HE3 . 11333 1 256 . 1 1 29 29 LYS HG2 H 1 1.139 0.030 . 2 . . . . 29 LYS HG2 . 11333 1 257 . 1 1 29 29 LYS HG3 H 1 0.897 0.030 . 2 . . . . 29 LYS HG3 . 11333 1 258 . 1 1 29 29 LYS C C 13 174.999 0.300 . 1 . . . . 29 LYS C . 11333 1 259 . 1 1 29 29 LYS CA C 13 55.081 0.300 . 1 . . . . 29 LYS CA . 11333 1 260 . 1 1 29 29 LYS CB C 13 32.415 0.300 . 1 . . . . 29 LYS CB . 11333 1 261 . 1 1 29 29 LYS CD C 13 29.509 0.300 . 1 . . . . 29 LYS CD . 11333 1 262 . 1 1 29 29 LYS CE C 13 42.201 0.300 . 1 . . . . 29 LYS CE . 11333 1 263 . 1 1 29 29 LYS CG C 13 25.393 0.300 . 1 . . . . 29 LYS CG . 11333 1 264 . 1 1 29 29 LYS N N 15 121.975 0.300 . 1 . . . . 29 LYS N . 11333 1 265 . 1 1 30 30 ALA H H 1 9.273 0.030 . 1 . . . . 30 ALA H . 11333 1 266 . 1 1 30 30 ALA HA H 1 4.470 0.030 . 1 . . . . 30 ALA HA . 11333 1 267 . 1 1 30 30 ALA HB1 H 1 1.923 0.030 . 1 . . . . 30 ALA HB . 11333 1 268 . 1 1 30 30 ALA HB2 H 1 1.923 0.030 . 1 . . . . 30 ALA HB . 11333 1 269 . 1 1 30 30 ALA HB3 H 1 1.923 0.030 . 1 . . . . 30 ALA HB . 11333 1 270 . 1 1 30 30 ALA C C 13 176.591 0.300 . 1 . . . . 30 ALA C . 11333 1 271 . 1 1 30 30 ALA CA C 13 50.089 0.300 . 1 . . . . 30 ALA CA . 11333 1 272 . 1 1 30 30 ALA CB C 13 21.949 0.300 . 1 . . . . 30 ALA CB . 11333 1 273 . 1 1 30 30 ALA N N 15 134.335 0.300 . 1 . . . . 30 ALA N . 11333 1 274 . 1 1 31 31 PRO HA H 1 4.620 0.030 . 1 . . . . 31 PRO HA . 11333 1 275 . 1 1 31 31 PRO HB2 H 1 2.295 0.030 . 2 . . . . 31 PRO HB2 . 11333 1 276 . 1 1 31 31 PRO HB3 H 1 2.098 0.030 . 2 . . . . 31 PRO HB3 . 11333 1 277 . 1 1 31 31 PRO HD2 H 1 3.777 0.030 . 2 . . . . 31 PRO HD2 . 11333 1 278 . 1 1 31 31 PRO HD3 H 1 4.310 0.030 . 2 . . . . 31 PRO HD3 . 11333 1 279 . 1 1 31 31 PRO HG2 H 1 2.000 0.030 . 2 . . . . 31 PRO HG2 . 11333 1 280 . 1 1 31 31 PRO HG3 H 1 2.097 0.030 . 2 . . . . 31 PRO HG3 . 11333 1 281 . 1 1 31 31 PRO C C 13 175.754 0.300 . 1 . . . . 31 PRO C . 11333 1 282 . 1 1 31 31 PRO CA C 13 64.365 0.300 . 1 . . . . 31 PRO CA . 11333 1 283 . 1 1 31 31 PRO CB C 13 31.631 0.300 . 1 . . . . 31 PRO CB . 11333 1 284 . 1 1 31 31 PRO CD C 13 50.620 0.300 . 1 . . . . 31 PRO CD . 11333 1 285 . 1 1 31 31 PRO CG C 13 26.866 0.300 . 1 . . . . 31 PRO CG . 11333 1 286 . 1 1 32 32 CYS H H 1 8.764 0.030 . 1 . . . . 32 CYS H . 11333 1 287 . 1 1 32 32 CYS HA H 1 4.289 0.030 . 1 . . . . 32 CYS HA . 11333 1 288 . 1 1 32 32 CYS HB2 H 1 3.167 0.030 . 2 . . . . 32 CYS HB2 . 11333 1 289 . 1 1 32 32 CYS HB3 H 1 2.695 0.030 . 2 . . . . 32 CYS HB3 . 11333 1 290 . 1 1 32 32 CYS C C 13 176.659 0.300 . 1 . . . . 32 CYS C . 11333 1 291 . 1 1 32 32 CYS CA C 13 54.278 0.300 . 1 . . . . 32 CYS CA . 11333 1 292 . 1 1 32 32 CYS CB C 13 30.833 0.300 . 1 . . . . 32 CYS CB . 11333 1 293 . 1 1 32 32 CYS N N 15 120.108 0.300 . 1 . . . . 32 CYS N . 11333 1 294 . 1 1 33 33 CYS H H 1 7.417 0.030 . 1 . . . . 33 CYS H . 11333 1 295 . 1 1 33 33 CYS HA H 1 4.868 0.030 . 1 . . . . 33 CYS HA . 11333 1 296 . 1 1 33 33 CYS HB2 H 1 3.298 0.030 . 2 . . . . 33 CYS HB2 . 11333 1 297 . 1 1 33 33 CYS HB3 H 1 2.864 0.030 . 2 . . . . 33 CYS HB3 . 11333 1 298 . 1 1 33 33 CYS C C 13 174.909 0.300 . 1 . . . . 33 CYS C . 11333 1 299 . 1 1 33 33 CYS CA C 13 57.010 0.300 . 1 . . . . 33 CYS CA . 11333 1 300 . 1 1 33 33 CYS CB C 13 31.382 0.300 . 1 . . . . 33 CYS CB . 11333 1 301 . 1 1 33 33 CYS N N 15 114.996 0.300 . 1 . . . . 33 CYS N . 11333 1 302 . 1 1 34 34 ASP H H 1 8.381 0.030 . 1 . . . . 34 ASP H . 11333 1 303 . 1 1 34 34 ASP HA H 1 4.405 0.030 . 1 . . . . 34 ASP HA . 11333 1 304 . 1 1 34 34 ASP HB2 H 1 2.990 0.030 . 2 . . . . 34 ASP HB2 . 11333 1 305 . 1 1 34 34 ASP HB3 H 1 2.728 0.030 . 2 . . . . 34 ASP HB3 . 11333 1 306 . 1 1 34 34 ASP C C 13 174.382 0.300 . 1 . . . . 34 ASP C . 11333 1 307 . 1 1 34 34 ASP CA C 13 56.466 0.300 . 1 . . . . 34 ASP CA . 11333 1 308 . 1 1 34 34 ASP CB C 13 39.636 0.300 . 1 . . . . 34 ASP CB . 11333 1 309 . 1 1 34 34 ASP N N 15 121.260 0.300 . 1 . . . . 34 ASP N . 11333 1 310 . 1 1 35 35 LYS H H 1 7.236 0.030 . 1 . . . . 35 LYS H . 11333 1 311 . 1 1 35 35 LYS HA H 1 4.419 0.030 . 1 . . . . 35 LYS HA . 11333 1 312 . 1 1 35 35 LYS HB2 H 1 2.049 0.030 . 2 . . . . 35 LYS HB2 . 11333 1 313 . 1 1 35 35 LYS HB3 H 1 1.627 0.030 . 2 . . . . 35 LYS HB3 . 11333 1 314 . 1 1 35 35 LYS HD2 H 1 2.020 0.030 . 2 . . . . 35 LYS HD2 . 11333 1 315 . 1 1 35 35 LYS HD3 H 1 1.710 0.030 . 2 . . . . 35 LYS HD3 . 11333 1 316 . 1 1 35 35 LYS HE2 H 1 3.054 0.030 . 1 . . . . 35 LYS HE2 . 11333 1 317 . 1 1 35 35 LYS HE3 H 1 3.054 0.030 . 1 . . . . 35 LYS HE3 . 11333 1 318 . 1 1 35 35 LYS HG2 H 1 1.680 0.030 . 2 . . . . 35 LYS HG2 . 11333 1 319 . 1 1 35 35 LYS HG3 H 1 1.300 0.030 . 2 . . . . 35 LYS HG3 . 11333 1 320 . 1 1 35 35 LYS C C 13 175.447 0.300 . 1 . . . . 35 LYS C . 11333 1 321 . 1 1 35 35 LYS CA C 13 56.260 0.300 . 1 . . . . 35 LYS CA . 11333 1 322 . 1 1 35 35 LYS CB C 13 36.910 0.300 . 1 . . . . 35 LYS CB . 11333 1 323 . 1 1 35 35 LYS CD C 13 29.919 0.300 . 1 . . . . 35 LYS CD . 11333 1 324 . 1 1 35 35 LYS CE C 13 42.425 0.300 . 1 . . . . 35 LYS CE . 11333 1 325 . 1 1 35 35 LYS CG C 13 26.284 0.300 . 1 . . . . 35 LYS CG . 11333 1 326 . 1 1 35 35 LYS N N 15 117.678 0.300 . 1 . . . . 35 LYS N . 11333 1 327 . 1 1 36 36 LEU H H 1 8.099 0.030 . 1 . . . . 36 LEU H . 11333 1 328 . 1 1 36 36 LEU HA H 1 5.253 0.030 . 1 . . . . 36 LEU HA . 11333 1 329 . 1 1 36 36 LEU HB2 H 1 1.567 0.030 . 2 . . . . 36 LEU HB2 . 11333 1 330 . 1 1 36 36 LEU HB3 H 1 1.001 0.030 . 2 . . . . 36 LEU HB3 . 11333 1 331 . 1 1 36 36 LEU HD11 H 1 0.725 0.030 . 1 . . . . 36 LEU HD1 . 11333 1 332 . 1 1 36 36 LEU HD12 H 1 0.725 0.030 . 1 . . . . 36 LEU HD1 . 11333 1 333 . 1 1 36 36 LEU HD13 H 1 0.725 0.030 . 1 . . . . 36 LEU HD1 . 11333 1 334 . 1 1 36 36 LEU HD21 H 1 0.519 0.030 . 1 . . . . 36 LEU HD2 . 11333 1 335 . 1 1 36 36 LEU HD22 H 1 0.519 0.030 . 1 . . . . 36 LEU HD2 . 11333 1 336 . 1 1 36 36 LEU HD23 H 1 0.519 0.030 . 1 . . . . 36 LEU HD2 . 11333 1 337 . 1 1 36 36 LEU HG H 1 1.516 0.030 . 1 . . . . 36 LEU HG . 11333 1 338 . 1 1 36 36 LEU C C 13 176.573 0.300 . 1 . . . . 36 LEU C . 11333 1 339 . 1 1 36 36 LEU CA C 13 53.355 0.300 . 1 . . . . 36 LEU CA . 11333 1 340 . 1 1 36 36 LEU CB C 13 42.578 0.300 . 1 . . . . 36 LEU CB . 11333 1 341 . 1 1 36 36 LEU CD1 C 13 25.874 0.300 . 2 . . . . 36 LEU CD1 . 11333 1 342 . 1 1 36 36 LEU CD2 C 13 23.461 0.300 . 2 . . . . 36 LEU CD2 . 11333 1 343 . 1 1 36 36 LEU CG C 13 27.232 0.300 . 1 . . . . 36 LEU CG . 11333 1 344 . 1 1 36 36 LEU N N 15 120.580 0.300 . 1 . . . . 36 LEU N . 11333 1 345 . 1 1 37 37 TYR H H 1 8.800 0.030 . 1 . . . . 37 TYR H . 11333 1 346 . 1 1 37 37 TYR HA H 1 4.954 0.030 . 1 . . . . 37 TYR HA . 11333 1 347 . 1 1 37 37 TYR HB2 H 1 3.183 0.030 . 2 . . . . 37 TYR HB2 . 11333 1 348 . 1 1 37 37 TYR HB3 H 1 2.336 0.030 . 2 . . . . 37 TYR HB3 . 11333 1 349 . 1 1 37 37 TYR HD1 H 1 7.084 0.030 . 1 . . . . 37 TYR HD1 . 11333 1 350 . 1 1 37 37 TYR HD2 H 1 7.084 0.030 . 1 . . . . 37 TYR HD2 . 11333 1 351 . 1 1 37 37 TYR HE1 H 1 6.747 0.030 . 1 . . . . 37 TYR HE1 . 11333 1 352 . 1 1 37 37 TYR HE2 H 1 6.747 0.030 . 1 . . . . 37 TYR HE2 . 11333 1 353 . 1 1 37 37 TYR C C 13 176.279 0.300 . 1 . . . . 37 TYR C . 11333 1 354 . 1 1 37 37 TYR CA C 13 57.616 0.300 . 1 . . . . 37 TYR CA . 11333 1 355 . 1 1 37 37 TYR CB C 13 45.959 0.300 . 1 . . . . 37 TYR CB . 11333 1 356 . 1 1 37 37 TYR CE1 C 13 119.432 0.300 . 1 . . . . 37 TYR CE1 . 11333 1 357 . 1 1 37 37 TYR CE2 C 13 119.432 0.300 . 1 . . . . 37 TYR CE2 . 11333 1 358 . 1 1 37 37 TYR N N 15 121.137 0.300 . 1 . . . . 37 TYR N . 11333 1 359 . 1 1 38 38 THR H H 1 9.451 0.030 . 1 . . . . 38 THR H . 11333 1 360 . 1 1 38 38 THR HA H 1 4.071 0.030 . 1 . . . . 38 THR HA . 11333 1 361 . 1 1 38 38 THR HB H 1 4.517 0.030 . 1 . . . . 38 THR HB . 11333 1 362 . 1 1 38 38 THR HG21 H 1 1.476 0.030 . 1 . . . . 38 THR HG2 . 11333 1 363 . 1 1 38 38 THR HG22 H 1 1.476 0.030 . 1 . . . . 38 THR HG2 . 11333 1 364 . 1 1 38 38 THR HG23 H 1 1.476 0.030 . 1 . . . . 38 THR HG2 . 11333 1 365 . 1 1 38 38 THR C C 13 173.579 0.300 . 1 . . . . 38 THR C . 11333 1 366 . 1 1 38 38 THR CA C 13 67.248 0.300 . 1 . . . . 38 THR CA . 11333 1 367 . 1 1 38 38 THR CB C 13 68.288 0.300 . 1 . . . . 38 THR CB . 11333 1 368 . 1 1 38 38 THR CG2 C 13 23.159 0.300 . 1 . . . . 38 THR CG2 . 11333 1 369 . 1 1 38 38 THR N N 15 116.835 0.300 . 1 . . . . 38 THR N . 11333 1 370 . 1 1 39 39 CYS H H 1 7.298 0.030 . 1 . . . . 39 CYS H . 11333 1 371 . 1 1 39 39 CYS HA H 1 4.798 0.030 . 1 . . . . 39 CYS HA . 11333 1 372 . 1 1 39 39 CYS HB2 H 1 2.988 0.030 . 2 . . . . 39 CYS HB2 . 11333 1 373 . 1 1 39 39 CYS HB3 H 1 4.192 0.030 . 2 . . . . 39 CYS HB3 . 11333 1 374 . 1 1 39 39 CYS C C 13 175.234 0.300 . 1 . . . . 39 CYS C . 11333 1 375 . 1 1 39 39 CYS CA C 13 56.879 0.300 . 1 . . . . 39 CYS CA . 11333 1 376 . 1 1 39 39 CYS CB C 13 35.421 0.300 . 1 . . . . 39 CYS CB . 11333 1 377 . 1 1 39 39 CYS N N 15 109.040 0.300 . 1 . . . . 39 CYS N . 11333 1 378 . 1 1 40 40 ARG H H 1 9.232 0.030 . 1 . . . . 40 ARG H . 11333 1 379 . 1 1 40 40 ARG HA H 1 3.956 0.030 . 1 . . . . 40 ARG HA . 11333 1 380 . 1 1 40 40 ARG HB2 H 1 2.123 0.030 . 2 . . . . 40 ARG HB2 . 11333 1 381 . 1 1 40 40 ARG HB3 H 1 1.536 0.030 . 2 . . . . 40 ARG HB3 . 11333 1 382 . 1 1 40 40 ARG HD2 H 1 3.040 0.030 . 2 . . . . 40 ARG HD2 . 11333 1 383 . 1 1 40 40 ARG HD3 H 1 3.172 0.030 . 2 . . . . 40 ARG HD3 . 11333 1 384 . 1 1 40 40 ARG HG2 H 1 1.940 0.030 . 2 . . . . 40 ARG HG2 . 11333 1 385 . 1 1 40 40 ARG HG3 H 1 1.419 0.030 . 2 . . . . 40 ARG HG3 . 11333 1 386 . 1 1 40 40 ARG C C 13 175.147 0.300 . 1 . . . . 40 ARG C . 11333 1 387 . 1 1 40 40 ARG CA C 13 58.904 0.300 . 1 . . . . 40 ARG CA . 11333 1 388 . 1 1 40 40 ARG CB C 13 29.578 0.300 . 1 . . . . 40 ARG CB . 11333 1 389 . 1 1 40 40 ARG CD C 13 43.361 0.300 . 1 . . . . 40 ARG CD . 11333 1 390 . 1 1 40 40 ARG CG C 13 27.387 0.300 . 1 . . . . 40 ARG CG . 11333 1 391 . 1 1 40 40 ARG N N 15 121.898 0.300 . 1 . . . . 40 ARG N . 11333 1 392 . 1 1 41 41 LEU H H 1 9.168 0.030 . 1 . . . . 41 LEU H . 11333 1 393 . 1 1 41 41 LEU HA H 1 4.069 0.030 . 1 . . . . 41 LEU HA . 11333 1 394 . 1 1 41 41 LEU HB2 H 1 0.771 0.030 . 2 . . . . 41 LEU HB2 . 11333 1 395 . 1 1 41 41 LEU HB3 H 1 0.627 0.030 . 2 . . . . 41 LEU HB3 . 11333 1 396 . 1 1 41 41 LEU HD11 H 1 0.730 0.030 . 1 . . . . 41 LEU HD1 . 11333 1 397 . 1 1 41 41 LEU HD12 H 1 0.730 0.030 . 1 . . . . 41 LEU HD1 . 11333 1 398 . 1 1 41 41 LEU HD13 H 1 0.730 0.030 . 1 . . . . 41 LEU HD1 . 11333 1 399 . 1 1 41 41 LEU HD21 H 1 0.730 0.030 . 1 . . . . 41 LEU HD2 . 11333 1 400 . 1 1 41 41 LEU HD22 H 1 0.730 0.030 . 1 . . . . 41 LEU HD2 . 11333 1 401 . 1 1 41 41 LEU HD23 H 1 0.730 0.030 . 1 . . . . 41 LEU HD2 . 11333 1 402 . 1 1 41 41 LEU HG H 1 1.549 0.030 . 1 . . . . 41 LEU HG . 11333 1 403 . 1 1 41 41 LEU C C 13 181.072 0.300 . 1 . . . . 41 LEU C . 11333 1 404 . 1 1 41 41 LEU CA C 13 58.060 0.300 . 1 . . . . 41 LEU CA . 11333 1 405 . 1 1 41 41 LEU CB C 13 39.022 0.300 . 1 . . . . 41 LEU CB . 11333 1 406 . 1 1 41 41 LEU CD1 C 13 22.418 0.300 . 1 . . . . 41 LEU CD1 . 11333 1 407 . 1 1 41 41 LEU CD2 C 13 22.418 0.300 . 1 . . . . 41 LEU CD2 . 11333 1 408 . 1 1 41 41 LEU CG C 13 27.470 0.300 . 1 . . . . 41 LEU CG . 11333 1 409 . 1 1 41 41 LEU N N 15 126.347 0.300 . 1 . . . . 41 LEU N . 11333 1 410 . 1 1 42 42 CYS H H 1 8.925 0.030 . 1 . . . . 42 CYS H . 11333 1 411 . 1 1 42 42 CYS HA H 1 4.136 0.030 . 1 . . . . 42 CYS HA . 11333 1 412 . 1 1 42 42 CYS HB2 H 1 3.396 0.030 . 2 . . . . 42 CYS HB2 . 11333 1 413 . 1 1 42 42 CYS HB3 H 1 3.346 0.030 . 2 . . . . 42 CYS HB3 . 11333 1 414 . 1 1 42 42 CYS C C 13 177.395 0.300 . 1 . . . . 42 CYS C . 11333 1 415 . 1 1 42 42 CYS CA C 13 66.648 0.300 . 1 . . . . 42 CYS CA . 11333 1 416 . 1 1 42 42 CYS CB C 13 28.879 0.300 . 1 . . . . 42 CYS CB . 11333 1 417 . 1 1 42 42 CYS N N 15 126.650 0.300 . 1 . . . . 42 CYS N . 11333 1 418 . 1 1 43 43 HIS H H 1 7.607 0.030 . 1 . . . . 43 HIS H . 11333 1 419 . 1 1 43 43 HIS HA H 1 1.966 0.030 . 1 . . . . 43 HIS HA . 11333 1 420 . 1 1 43 43 HIS HB2 H 1 2.360 0.030 . 2 . . . . 43 HIS HB2 . 11333 1 421 . 1 1 43 43 HIS HB3 H 1 3.091 0.030 . 2 . . . . 43 HIS HB3 . 11333 1 422 . 1 1 43 43 HIS HD2 H 1 6.504 0.030 . 1 . . . . 43 HIS HD2 . 11333 1 423 . 1 1 43 43 HIS HE1 H 1 7.278 0.030 . 1 . . . . 43 HIS HE1 . 11333 1 424 . 1 1 43 43 HIS C C 13 176.327 0.300 . 1 . . . . 43 HIS C . 11333 1 425 . 1 1 43 43 HIS CA C 13 58.923 0.300 . 1 . . . . 43 HIS CA . 11333 1 426 . 1 1 43 43 HIS CB C 13 28.066 0.300 . 1 . . . . 43 HIS CB . 11333 1 427 . 1 1 43 43 HIS CD2 C 13 126.771 0.300 . 1 . . . . 43 HIS CD2 . 11333 1 428 . 1 1 43 43 HIS CE1 C 13 141.061 0.300 . 1 . . . . 43 HIS CE1 . 11333 1 429 . 1 1 43 43 HIS N N 15 117.433 0.300 . 1 . . . . 43 HIS N . 11333 1 430 . 1 1 44 44 ASP H H 1 8.737 0.030 . 1 . . . . 44 ASP H . 11333 1 431 . 1 1 44 44 ASP HA H 1 4.113 0.030 . 1 . . . . 44 ASP HA . 11333 1 432 . 1 1 44 44 ASP HB2 H 1 2.766 0.030 . 2 . . . . 44 ASP HB2 . 11333 1 433 . 1 1 44 44 ASP HB3 H 1 2.695 0.030 . 2 . . . . 44 ASP HB3 . 11333 1 434 . 1 1 44 44 ASP C C 13 177.693 0.300 . 1 . . . . 44 ASP C . 11333 1 435 . 1 1 44 44 ASP CA C 13 57.048 0.300 . 1 . . . . 44 ASP CA . 11333 1 436 . 1 1 44 44 ASP CB C 13 39.329 0.300 . 1 . . . . 44 ASP CB . 11333 1 437 . 1 1 44 44 ASP N N 15 119.029 0.300 . 1 . . . . 44 ASP N . 11333 1 438 . 1 1 45 45 THR H H 1 7.637 0.030 . 1 . . . . 45 THR H . 11333 1 439 . 1 1 45 45 THR HA H 1 4.140 0.030 . 1 . . . . 45 THR HA . 11333 1 440 . 1 1 45 45 THR HB H 1 4.269 0.030 . 1 . . . . 45 THR HB . 11333 1 441 . 1 1 45 45 THR HG21 H 1 1.319 0.030 . 1 . . . . 45 THR HG2 . 11333 1 442 . 1 1 45 45 THR HG22 H 1 1.319 0.030 . 1 . . . . 45 THR HG2 . 11333 1 443 . 1 1 45 45 THR HG23 H 1 1.319 0.030 . 1 . . . . 45 THR HG2 . 11333 1 444 . 1 1 45 45 THR C C 13 174.482 0.300 . 1 . . . . 45 THR C . 11333 1 445 . 1 1 45 45 THR CA C 13 64.743 0.300 . 1 . . . . 45 THR CA . 11333 1 446 . 1 1 45 45 THR CB C 13 69.670 0.300 . 1 . . . . 45 THR CB . 11333 1 447 . 1 1 45 45 THR CG2 C 13 21.368 0.300 . 1 . . . . 45 THR CG2 . 11333 1 448 . 1 1 45 45 THR N N 15 111.798 0.300 . 1 . . . . 45 THR N . 11333 1 449 . 1 1 46 46 ASN H H 1 7.100 0.030 . 1 . . . . 46 ASN H . 11333 1 450 . 1 1 46 46 ASN HA H 1 4.810 0.030 . 1 . . . . 46 ASN HA . 11333 1 451 . 1 1 46 46 ASN HB2 H 1 2.977 0.030 . 2 . . . . 46 ASN HB2 . 11333 1 452 . 1 1 46 46 ASN HB3 H 1 2.620 0.030 . 2 . . . . 46 ASN HB3 . 11333 1 453 . 1 1 46 46 ASN HD21 H 1 7.306 0.030 . 2 . . . . 46 ASN HD21 . 11333 1 454 . 1 1 46 46 ASN HD22 H 1 8.006 0.030 . 2 . . . . 46 ASN HD22 . 11333 1 455 . 1 1 46 46 ASN C C 13 173.787 0.300 . 1 . . . . 46 ASN C . 11333 1 456 . 1 1 46 46 ASN CA C 13 54.447 0.300 . 1 . . . . 46 ASN CA . 11333 1 457 . 1 1 46 46 ASN CB C 13 42.766 0.300 . 1 . . . . 46 ASN CB . 11333 1 458 . 1 1 46 46 ASN N N 15 118.183 0.300 . 1 . . . . 46 ASN N . 11333 1 459 . 1 1 46 46 ASN ND2 N 15 116.781 0.300 . 1 . . . . 46 ASN ND2 . 11333 1 460 . 1 1 47 47 GLU H H 1 7.179 0.030 . 1 . . . . 47 GLU H . 11333 1 461 . 1 1 47 47 GLU HA H 1 4.527 0.030 . 1 . . . . 47 GLU HA . 11333 1 462 . 1 1 47 47 GLU HB2 H 1 1.355 0.030 . 2 . . . . 47 GLU HB2 . 11333 1 463 . 1 1 47 47 GLU HB3 H 1 0.677 0.030 . 2 . . . . 47 GLU HB3 . 11333 1 464 . 1 1 47 47 GLU HG2 H 1 1.152 0.030 . 2 . . . . 47 GLU HG2 . 11333 1 465 . 1 1 47 47 GLU HG3 H 1 1.728 0.030 . 2 . . . . 47 GLU HG3 . 11333 1 466 . 1 1 47 47 GLU C C 13 175.614 0.300 . 1 . . . . 47 GLU C . 11333 1 467 . 1 1 47 47 GLU CA C 13 54.212 0.300 . 1 . . . . 47 GLU CA . 11333 1 468 . 1 1 47 47 GLU CB C 13 32.384 0.300 . 1 . . . . 47 GLU CB . 11333 1 469 . 1 1 47 47 GLU CG C 13 34.080 0.300 . 1 . . . . 47 GLU CG . 11333 1 470 . 1 1 47 47 GLU N N 15 116.984 0.300 . 1 . . . . 47 GLU N . 11333 1 471 . 1 1 48 48 ASP H H 1 8.794 0.030 . 1 . . . . 48 ASP H . 11333 1 472 . 1 1 48 48 ASP HA H 1 4.531 0.030 . 1 . . . . 48 ASP HA . 11333 1 473 . 1 1 48 48 ASP HB2 H 1 3.136 0.030 . 2 . . . . 48 ASP HB2 . 11333 1 474 . 1 1 48 48 ASP HB3 H 1 2.622 0.030 . 2 . . . . 48 ASP HB3 . 11333 1 475 . 1 1 48 48 ASP CA C 13 53.205 0.300 . 1 . . . . 48 ASP CA . 11333 1 476 . 1 1 48 48 ASP CB C 13 40.397 0.300 . 1 . . . . 48 ASP CB . 11333 1 477 . 1 1 49 49 HIS H H 1 6.900 0.030 . 1 . . . . 49 HIS H . 11333 1 478 . 1 1 49 49 HIS HA H 1 4.884 0.030 . 1 . . . . 49 HIS HA . 11333 1 479 . 1 1 49 49 HIS HB2 H 1 3.166 0.030 . 2 . . . . 49 HIS HB2 . 11333 1 480 . 1 1 49 49 HIS HB3 H 1 3.234 0.030 . 2 . . . . 49 HIS HB3 . 11333 1 481 . 1 1 49 49 HIS HD2 H 1 7.077 0.030 . 1 . . . . 49 HIS HD2 . 11333 1 482 . 1 1 49 49 HIS HE1 H 1 8.075 0.030 . 1 . . . . 49 HIS HE1 . 11333 1 483 . 1 1 49 49 HIS CA C 13 54.124 0.300 . 1 . . . . 49 HIS CA . 11333 1 484 . 1 1 49 49 HIS CB C 13 30.752 0.300 . 1 . . . . 49 HIS CB . 11333 1 485 . 1 1 49 49 HIS CD2 C 13 127.591 0.300 . 1 . . . . 49 HIS CD2 . 11333 1 486 . 1 1 49 49 HIS CE1 C 13 140.315 0.300 . 1 . . . . 49 HIS CE1 . 11333 1 487 . 1 1 49 49 HIS N N 15 113.627 0.300 . 1 . . . . 49 HIS N . 11333 1 488 . 1 1 50 50 GLN H H 1 8.742 0.030 . 1 . . . . 50 GLN H . 11333 1 489 . 1 1 50 50 GLN HA H 1 4.810 0.030 . 1 . . . . 50 GLN HA . 11333 1 490 . 1 1 50 50 GLN HB2 H 1 1.937 0.030 . 2 . . . . 50 GLN HB2 . 11333 1 491 . 1 1 50 50 GLN HB3 H 1 2.002 0.030 . 2 . . . . 50 GLN HB3 . 11333 1 492 . 1 1 50 50 GLN HE21 H 1 6.819 0.030 . 2 . . . . 50 GLN HE21 . 11333 1 493 . 1 1 50 50 GLN HE22 H 1 7.496 0.030 . 2 . . . . 50 GLN HE22 . 11333 1 494 . 1 1 50 50 GLN HG2 H 1 2.232 0.030 . 2 . . . . 50 GLN HG2 . 11333 1 495 . 1 1 50 50 GLN HG3 H 1 2.342 0.030 . 2 . . . . 50 GLN HG3 . 11333 1 496 . 1 1 50 50 GLN CA C 13 55.058 0.300 . 1 . . . . 50 GLN CA . 11333 1 497 . 1 1 50 50 GLN CB C 13 31.045 0.300 . 1 . . . . 50 GLN CB . 11333 1 498 . 1 1 50 50 GLN CG C 13 35.109 0.300 . 1 . . . . 50 GLN CG . 11333 1 499 . 1 1 50 50 GLN N N 15 119.729 0.300 . 1 . . . . 50 GLN N . 11333 1 500 . 1 1 50 50 GLN NE2 N 15 112.006 0.300 . 1 . . . . 50 GLN NE2 . 11333 1 501 . 1 1 51 51 LEU H H 1 9.685 0.030 . 1 . . . . 51 LEU H . 11333 1 502 . 1 1 51 51 LEU HA H 1 4.175 0.030 . 1 . . . . 51 LEU HA . 11333 1 503 . 1 1 51 51 LEU HB2 H 1 1.336 0.030 . 2 . . . . 51 LEU HB2 . 11333 1 504 . 1 1 51 51 LEU HB3 H 1 -0.166 0.030 . 2 . . . . 51 LEU HB3 . 11333 1 505 . 1 1 51 51 LEU HD11 H 1 0.627 0.030 . 1 . . . . 51 LEU HD1 . 11333 1 506 . 1 1 51 51 LEU HD12 H 1 0.627 0.030 . 1 . . . . 51 LEU HD1 . 11333 1 507 . 1 1 51 51 LEU HD13 H 1 0.627 0.030 . 1 . . . . 51 LEU HD1 . 11333 1 508 . 1 1 51 51 LEU HD21 H 1 0.503 0.030 . 1 . . . . 51 LEU HD2 . 11333 1 509 . 1 1 51 51 LEU HD22 H 1 0.503 0.030 . 1 . . . . 51 LEU HD2 . 11333 1 510 . 1 1 51 51 LEU HD23 H 1 0.503 0.030 . 1 . . . . 51 LEU HD2 . 11333 1 511 . 1 1 51 51 LEU HG H 1 1.119 0.030 . 1 . . . . 51 LEU HG . 11333 1 512 . 1 1 51 51 LEU CA C 13 55.409 0.300 . 1 . . . . 51 LEU CA . 11333 1 513 . 1 1 51 51 LEU CB C 13 41.547 0.300 . 1 . . . . 51 LEU CB . 11333 1 514 . 1 1 51 51 LEU CD1 C 13 26.166 0.300 . 2 . . . . 51 LEU CD1 . 11333 1 515 . 1 1 51 51 LEU CD2 C 13 25.007 0.300 . 2 . . . . 51 LEU CD2 . 11333 1 516 . 1 1 51 51 LEU CG C 13 27.354 0.300 . 1 . . . . 51 LEU CG . 11333 1 517 . 1 1 51 51 LEU N N 15 128.205 0.300 . 1 . . . . 51 LEU N . 11333 1 518 . 1 1 52 52 ASP H H 1 9.325 0.030 . 1 . . . . 52 ASP H . 11333 1 519 . 1 1 52 52 ASP HA H 1 4.757 0.030 . 1 . . . . 52 ASP HA . 11333 1 520 . 1 1 52 52 ASP HB2 H 1 2.964 0.030 . 2 . . . . 52 ASP HB2 . 11333 1 521 . 1 1 52 52 ASP HB3 H 1 2.610 0.030 . 2 . . . . 52 ASP HB3 . 11333 1 522 . 1 1 52 52 ASP C C 13 176.481 0.300 . 1 . . . . 52 ASP C . 11333 1 523 . 1 1 52 52 ASP CA C 13 52.855 0.300 . 1 . . . . 52 ASP CA . 11333 1 524 . 1 1 52 52 ASP CB C 13 39.821 0.300 . 1 . . . . 52 ASP CB . 11333 1 525 . 1 1 52 52 ASP N N 15 128.869 0.300 . 1 . . . . 52 ASP N . 11333 1 526 . 1 1 53 53 ARG H H 1 8.538 0.030 . 1 . . . . 53 ARG H . 11333 1 527 . 1 1 53 53 ARG HA H 1 3.826 0.030 . 1 . . . . 53 ARG HA . 11333 1 528 . 1 1 53 53 ARG HB2 H 1 2.479 0.030 . 2 . . . . 53 ARG HB2 . 11333 1 529 . 1 1 53 53 ARG HB3 H 1 1.249 0.030 . 2 . . . . 53 ARG HB3 . 11333 1 530 . 1 1 53 53 ARG HD2 H 1 2.877 0.030 . 2 . . . . 53 ARG HD2 . 11333 1 531 . 1 1 53 53 ARG HD3 H 1 2.958 0.030 . 2 . . . . 53 ARG HD3 . 11333 1 532 . 1 1 53 53 ARG HE H 1 6.830 0.030 . 1 . . . . 53 ARG HE . 11333 1 533 . 1 1 53 53 ARG HG2 H 1 0.609 0.030 . 2 . . . . 53 ARG HG2 . 11333 1 534 . 1 1 53 53 ARG HG3 H 1 0.782 0.030 . 2 . . . . 53 ARG HG3 . 11333 1 535 . 1 1 53 53 ARG C C 13 176.319 0.300 . 1 . . . . 53 ARG C . 11333 1 536 . 1 1 53 53 ARG CA C 13 57.795 0.300 . 1 . . . . 53 ARG CA . 11333 1 537 . 1 1 53 53 ARG CB C 13 28.870 0.300 . 1 . . . . 53 ARG CB . 11333 1 538 . 1 1 53 53 ARG CD C 13 44.229 0.300 . 1 . . . . 53 ARG CD . 11333 1 539 . 1 1 53 53 ARG CG C 13 23.963 0.300 . 1 . . . . 53 ARG CG . 11333 1 540 . 1 1 53 53 ARG N N 15 125.882 0.300 . 1 . . . . 53 ARG N . 11333 1 541 . 1 1 53 53 ARG NE N 15 82.736 0.300 . 1 . . . . 53 ARG NE . 11333 1 542 . 1 1 54 54 PHE H H 1 8.008 0.030 . 1 . . . . 54 PHE H . 11333 1 543 . 1 1 54 54 PHE HA H 1 4.702 0.030 . 1 . . . . 54 PHE HA . 11333 1 544 . 1 1 54 54 PHE HB2 H 1 3.437 0.030 . 2 . . . . 54 PHE HB2 . 11333 1 545 . 1 1 54 54 PHE HB3 H 1 3.186 0.030 . 2 . . . . 54 PHE HB3 . 11333 1 546 . 1 1 54 54 PHE HD1 H 1 7.568 0.030 . 1 . . . . 54 PHE HD1 . 11333 1 547 . 1 1 54 54 PHE HD2 H 1 7.568 0.030 . 1 . . . . 54 PHE HD2 . 11333 1 548 . 1 1 54 54 PHE HE1 H 1 7.612 0.030 . 1 . . . . 54 PHE HE1 . 11333 1 549 . 1 1 54 54 PHE HE2 H 1 7.612 0.030 . 1 . . . . 54 PHE HE2 . 11333 1 550 . 1 1 54 54 PHE HZ H 1 7.425 0.030 . 1 . . . . 54 PHE HZ . 11333 1 551 . 1 1 54 54 PHE C C 13 177.606 0.300 . 1 . . . . 54 PHE C . 11333 1 552 . 1 1 54 54 PHE CA C 13 59.242 0.300 . 1 . . . . 54 PHE CA . 11333 1 553 . 1 1 54 54 PHE CB C 13 37.749 0.300 . 1 . . . . 54 PHE CB . 11333 1 554 . 1 1 54 54 PHE CD1 C 13 132.215 0.300 . 1 . . . . 54 PHE CD1 . 11333 1 555 . 1 1 54 54 PHE CD2 C 13 132.215 0.300 . 1 . . . . 54 PHE CD2 . 11333 1 556 . 1 1 54 54 PHE CE1 C 13 132.215 0.300 . 1 . . . . 54 PHE CE1 . 11333 1 557 . 1 1 54 54 PHE CE2 C 13 132.215 0.300 . 1 . . . . 54 PHE CE2 . 11333 1 558 . 1 1 54 54 PHE CZ C 13 130.456 0.300 . 1 . . . . 54 PHE CZ . 11333 1 559 . 1 1 54 54 PHE N N 15 120.233 0.300 . 1 . . . . 54 PHE N . 11333 1 560 . 1 1 55 55 LYS H H 1 7.688 0.030 . 1 . . . . 55 LYS H . 11333 1 561 . 1 1 55 55 LYS HA H 1 4.378 0.030 . 1 . . . . 55 LYS HA . 11333 1 562 . 1 1 55 55 LYS HB2 H 1 2.068 0.030 . 2 . . . . 55 LYS HB2 . 11333 1 563 . 1 1 55 55 LYS HB3 H 1 1.770 0.030 . 2 . . . . 55 LYS HB3 . 11333 1 564 . 1 1 55 55 LYS HD2 H 1 1.718 0.030 . 1 . . . . 55 LYS HD2 . 11333 1 565 . 1 1 55 55 LYS HD3 H 1 1.718 0.030 . 1 . . . . 55 LYS HD3 . 11333 1 566 . 1 1 55 55 LYS HE2 H 1 3.060 0.030 . 1 . . . . 55 LYS HE2 . 11333 1 567 . 1 1 55 55 LYS HE3 H 1 3.060 0.030 . 1 . . . . 55 LYS HE3 . 11333 1 568 . 1 1 55 55 LYS HG2 H 1 1.566 0.030 . 2 . . . . 55 LYS HG2 . 11333 1 569 . 1 1 55 55 LYS HG3 H 1 1.374 0.030 . 2 . . . . 55 LYS HG3 . 11333 1 570 . 1 1 55 55 LYS C C 13 175.953 0.300 . 1 . . . . 55 LYS C . 11333 1 571 . 1 1 55 55 LYS CA C 13 55.712 0.300 . 1 . . . . 55 LYS CA . 11333 1 572 . 1 1 55 55 LYS CB C 13 33.621 0.300 . 1 . . . . 55 LYS CB . 11333 1 573 . 1 1 55 55 LYS CD C 13 29.049 0.300 . 1 . . . . 55 LYS CD . 11333 1 574 . 1 1 55 55 LYS CE C 13 42.272 0.300 . 1 . . . . 55 LYS CE . 11333 1 575 . 1 1 55 55 LYS CG C 13 25.838 0.300 . 1 . . . . 55 LYS CG . 11333 1 576 . 1 1 55 55 LYS N N 15 117.138 0.300 . 1 . . . . 55 LYS N . 11333 1 577 . 1 1 56 56 VAL H H 1 6.518 0.030 . 1 . . . . 56 VAL H . 11333 1 578 . 1 1 56 56 VAL HA H 1 3.366 0.030 . 1 . . . . 56 VAL HA . 11333 1 579 . 1 1 56 56 VAL HB H 1 1.359 0.030 . 1 . . . . 56 VAL HB . 11333 1 580 . 1 1 56 56 VAL HG11 H 1 1.087 0.030 . 1 . . . . 56 VAL HG1 . 11333 1 581 . 1 1 56 56 VAL HG12 H 1 1.087 0.030 . 1 . . . . 56 VAL HG1 . 11333 1 582 . 1 1 56 56 VAL HG13 H 1 1.087 0.030 . 1 . . . . 56 VAL HG1 . 11333 1 583 . 1 1 56 56 VAL HG21 H 1 0.833 0.030 . 1 . . . . 56 VAL HG2 . 11333 1 584 . 1 1 56 56 VAL HG22 H 1 0.833 0.030 . 1 . . . . 56 VAL HG2 . 11333 1 585 . 1 1 56 56 VAL HG23 H 1 0.833 0.030 . 1 . . . . 56 VAL HG2 . 11333 1 586 . 1 1 56 56 VAL C C 13 173.974 0.300 . 1 . . . . 56 VAL C . 11333 1 587 . 1 1 56 56 VAL CA C 13 65.335 0.300 . 1 . . . . 56 VAL CA . 11333 1 588 . 1 1 56 56 VAL CB C 13 32.570 0.300 . 1 . . . . 56 VAL CB . 11333 1 589 . 1 1 56 56 VAL CG1 C 13 23.445 0.300 . 2 . . . . 56 VAL CG1 . 11333 1 590 . 1 1 56 56 VAL CG2 C 13 20.961 0.300 . 2 . . . . 56 VAL CG2 . 11333 1 591 . 1 1 56 56 VAL N N 15 119.468 0.300 . 1 . . . . 56 VAL N . 11333 1 592 . 1 1 57 57 LYS H H 1 9.299 0.030 . 1 . . . . 57 LYS H . 11333 1 593 . 1 1 57 57 LYS HA H 1 4.485 0.030 . 1 . . . . 57 LYS HA . 11333 1 594 . 1 1 57 57 LYS HB2 H 1 1.816 0.030 . 2 . . . . 57 LYS HB2 . 11333 1 595 . 1 1 57 57 LYS HB3 H 1 1.749 0.030 . 2 . . . . 57 LYS HB3 . 11333 1 596 . 1 1 57 57 LYS HD2 H 1 1.710 0.030 . 1 . . . . 57 LYS HD2 . 11333 1 597 . 1 1 57 57 LYS HD3 H 1 1.710 0.030 . 1 . . . . 57 LYS HD3 . 11333 1 598 . 1 1 57 57 LYS HE2 H 1 3.025 0.030 . 1 . . . . 57 LYS HE2 . 11333 1 599 . 1 1 57 57 LYS HE3 H 1 3.025 0.030 . 1 . . . . 57 LYS HE3 . 11333 1 600 . 1 1 57 57 LYS HG2 H 1 1.508 0.030 . 2 . . . . 57 LYS HG2 . 11333 1 601 . 1 1 57 57 LYS HG3 H 1 1.412 0.030 . 2 . . . . 57 LYS HG3 . 11333 1 602 . 1 1 57 57 LYS C C 13 177.072 0.300 . 1 . . . . 57 LYS C . 11333 1 603 . 1 1 57 57 LYS CA C 13 55.918 0.300 . 1 . . . . 57 LYS CA . 11333 1 604 . 1 1 57 57 LYS CB C 13 36.617 0.300 . 1 . . . . 57 LYS CB . 11333 1 605 . 1 1 57 57 LYS CD C 13 29.095 0.300 . 1 . . . . 57 LYS CD . 11333 1 606 . 1 1 57 57 LYS CE C 13 41.978 0.300 . 1 . . . . 57 LYS CE . 11333 1 607 . 1 1 57 57 LYS CG C 13 24.564 0.300 . 1 . . . . 57 LYS CG . 11333 1 608 . 1 1 57 57 LYS N N 15 124.975 0.300 . 1 . . . . 57 LYS N . 11333 1 609 . 1 1 58 58 GLU H H 1 8.854 0.030 . 1 . . . . 58 GLU H . 11333 1 610 . 1 1 58 58 GLU HA H 1 5.188 0.030 . 1 . . . . 58 GLU HA . 11333 1 611 . 1 1 58 58 GLU HB2 H 1 1.833 0.030 . 1 . . . . 58 GLU HB2 . 11333 1 612 . 1 1 58 58 GLU HB3 H 1 1.833 0.030 . 1 . . . . 58 GLU HB3 . 11333 1 613 . 1 1 58 58 GLU HG2 H 1 1.940 0.030 . 2 . . . . 58 GLU HG2 . 11333 1 614 . 1 1 58 58 GLU HG3 H 1 1.887 0.030 . 2 . . . . 58 GLU HG3 . 11333 1 615 . 1 1 58 58 GLU C C 13 173.987 0.300 . 1 . . . . 58 GLU C . 11333 1 616 . 1 1 58 58 GLU CA C 13 54.910 0.300 . 1 . . . . 58 GLU CA . 11333 1 617 . 1 1 58 58 GLU CB C 13 35.201 0.300 . 1 . . . . 58 GLU CB . 11333 1 618 . 1 1 58 58 GLU CG C 13 37.374 0.300 . 1 . . . . 58 GLU CG . 11333 1 619 . 1 1 58 58 GLU N N 15 122.174 0.300 . 1 . . . . 58 GLU N . 11333 1 620 . 1 1 59 59 VAL H H 1 8.934 0.030 . 1 . . . . 59 VAL H . 11333 1 621 . 1 1 59 59 VAL HA H 1 4.971 0.030 . 1 . . . . 59 VAL HA . 11333 1 622 . 1 1 59 59 VAL HB H 1 1.683 0.030 . 1 . . . . 59 VAL HB . 11333 1 623 . 1 1 59 59 VAL HG11 H 1 0.743 0.030 . 1 . . . . 59 VAL HG1 . 11333 1 624 . 1 1 59 59 VAL HG12 H 1 0.743 0.030 . 1 . . . . 59 VAL HG1 . 11333 1 625 . 1 1 59 59 VAL HG13 H 1 0.743 0.030 . 1 . . . . 59 VAL HG1 . 11333 1 626 . 1 1 59 59 VAL HG21 H 1 0.360 0.030 . 1 . . . . 59 VAL HG2 . 11333 1 627 . 1 1 59 59 VAL HG22 H 1 0.360 0.030 . 1 . . . . 59 VAL HG2 . 11333 1 628 . 1 1 59 59 VAL HG23 H 1 0.360 0.030 . 1 . . . . 59 VAL HG2 . 11333 1 629 . 1 1 59 59 VAL C C 13 173.511 0.300 . 1 . . . . 59 VAL C . 11333 1 630 . 1 1 59 59 VAL CA C 13 57.517 0.300 . 1 . . . . 59 VAL CA . 11333 1 631 . 1 1 59 59 VAL CB C 13 35.245 0.300 . 1 . . . . 59 VAL CB . 11333 1 632 . 1 1 59 59 VAL CG1 C 13 21.724 0.300 . 2 . . . . 59 VAL CG1 . 11333 1 633 . 1 1 59 59 VAL CG2 C 13 18.298 0.300 . 2 . . . . 59 VAL CG2 . 11333 1 634 . 1 1 59 59 VAL N N 15 109.266 0.300 . 1 . . . . 59 VAL N . 11333 1 635 . 1 1 60 60 GLN H H 1 9.104 0.030 . 1 . . . . 60 GLN H . 11333 1 636 . 1 1 60 60 GLN HA H 1 5.189 0.030 . 1 . . . . 60 GLN HA . 11333 1 637 . 1 1 60 60 GLN HB2 H 1 1.611 0.030 . 1 . . . . 60 GLN HB2 . 11333 1 638 . 1 1 60 60 GLN HB3 H 1 1.611 0.030 . 1 . . . . 60 GLN HB3 . 11333 1 639 . 1 1 60 60 GLN HE21 H 1 7.122 0.030 . 2 . . . . 60 GLN HE21 . 11333 1 640 . 1 1 60 60 GLN HE22 H 1 6.544 0.030 . 2 . . . . 60 GLN HE22 . 11333 1 641 . 1 1 60 60 GLN HG2 H 1 1.612 0.030 . 2 . . . . 60 GLN HG2 . 11333 1 642 . 1 1 60 60 GLN HG3 H 1 1.764 0.030 . 2 . . . . 60 GLN HG3 . 11333 1 643 . 1 1 60 60 GLN C C 13 174.947 0.300 . 1 . . . . 60 GLN C . 11333 1 644 . 1 1 60 60 GLN CA C 13 53.332 0.300 . 1 . . . . 60 GLN CA . 11333 1 645 . 1 1 60 60 GLN CB C 13 33.840 0.300 . 1 . . . . 60 GLN CB . 11333 1 646 . 1 1 60 60 GLN CG C 13 34.287 0.300 . 1 . . . . 60 GLN CG . 11333 1 647 . 1 1 60 60 GLN N N 15 120.089 0.300 . 1 . . . . 60 GLN N . 11333 1 648 . 1 1 60 60 GLN NE2 N 15 109.914 0.300 . 1 . . . . 60 GLN NE2 . 11333 1 649 . 1 1 61 61 CYS H H 1 7.648 0.030 . 1 . . . . 61 CYS H . 11333 1 650 . 1 1 61 61 CYS HA H 1 4.175 0.030 . 1 . . . . 61 CYS HA . 11333 1 651 . 1 1 61 61 CYS HB2 H 1 3.259 0.030 . 2 . . . . 61 CYS HB2 . 11333 1 652 . 1 1 61 61 CYS HB3 H 1 3.287 0.030 . 2 . . . . 61 CYS HB3 . 11333 1 653 . 1 1 61 61 CYS C C 13 178.214 0.300 . 1 . . . . 61 CYS C . 11333 1 654 . 1 1 61 61 CYS CA C 13 59.992 0.300 . 1 . . . . 61 CYS CA . 11333 1 655 . 1 1 61 61 CYS CB C 13 33.314 0.300 . 1 . . . . 61 CYS CB . 11333 1 656 . 1 1 61 61 CYS N N 15 128.758 0.300 . 1 . . . . 61 CYS N . 11333 1 657 . 1 1 62 62 ILE H H 1 8.072 0.030 . 1 . . . . 62 ILE H . 11333 1 658 . 1 1 62 62 ILE HA H 1 4.069 0.030 . 1 . . . . 62 ILE HA . 11333 1 659 . 1 1 62 62 ILE HB H 1 1.663 0.030 . 1 . . . . 62 ILE HB . 11333 1 660 . 1 1 62 62 ILE HD11 H 1 0.853 0.030 . 1 . . . . 62 ILE HD1 . 11333 1 661 . 1 1 62 62 ILE HD12 H 1 0.853 0.030 . 1 . . . . 62 ILE HD1 . 11333 1 662 . 1 1 62 62 ILE HD13 H 1 0.853 0.030 . 1 . . . . 62 ILE HD1 . 11333 1 663 . 1 1 62 62 ILE HG12 H 1 1.224 0.030 . 2 . . . . 62 ILE HG12 . 11333 1 664 . 1 1 62 62 ILE HG13 H 1 1.333 0.030 . 2 . . . . 62 ILE HG13 . 11333 1 665 . 1 1 62 62 ILE HG21 H 1 0.822 0.030 . 1 . . . . 62 ILE HG2 . 11333 1 666 . 1 1 62 62 ILE HG22 H 1 0.822 0.030 . 1 . . . . 62 ILE HG2 . 11333 1 667 . 1 1 62 62 ILE HG23 H 1 0.822 0.030 . 1 . . . . 62 ILE HG2 . 11333 1 668 . 1 1 62 62 ILE C C 13 175.370 0.300 . 1 . . . . 62 ILE C . 11333 1 669 . 1 1 62 62 ILE CA C 13 63.310 0.300 . 1 . . . . 62 ILE CA . 11333 1 670 . 1 1 62 62 ILE CB C 13 38.626 0.300 . 1 . . . . 62 ILE CB . 11333 1 671 . 1 1 62 62 ILE CD1 C 13 14.159 0.300 . 1 . . . . 62 ILE CD1 . 11333 1 672 . 1 1 62 62 ILE CG1 C 13 27.628 0.300 . 1 . . . . 62 ILE CG1 . 11333 1 673 . 1 1 62 62 ILE CG2 C 13 17.690 0.300 . 1 . . . . 62 ILE CG2 . 11333 1 674 . 1 1 62 62 ILE N N 15 127.029 0.300 . 1 . . . . 62 ILE N . 11333 1 675 . 1 1 63 63 ASN H H 1 9.194 0.030 . 1 . . . . 63 ASN H . 11333 1 676 . 1 1 63 63 ASN HA H 1 4.798 0.030 . 1 . . . . 63 ASN HA . 11333 1 677 . 1 1 63 63 ASN HB2 H 1 2.922 0.030 . 2 . . . . 63 ASN HB2 . 11333 1 678 . 1 1 63 63 ASN HB3 H 1 2.622 0.030 . 2 . . . . 63 ASN HB3 . 11333 1 679 . 1 1 63 63 ASN HD21 H 1 7.171 0.030 . 2 . . . . 63 ASN HD21 . 11333 1 680 . 1 1 63 63 ASN HD22 H 1 8.024 0.030 . 2 . . . . 63 ASN HD22 . 11333 1 681 . 1 1 63 63 ASN C C 13 175.998 0.300 . 1 . . . . 63 ASN C . 11333 1 682 . 1 1 63 63 ASN CA C 13 55.792 0.300 . 1 . . . . 63 ASN CA . 11333 1 683 . 1 1 63 63 ASN CB C 13 40.471 0.300 . 1 . . . . 63 ASN CB . 11333 1 684 . 1 1 63 63 ASN N N 15 122.395 0.300 . 1 . . . . 63 ASN N . 11333 1 685 . 1 1 63 63 ASN ND2 N 15 117.172 0.300 . 1 . . . . 63 ASN ND2 . 11333 1 686 . 1 1 64 64 CYS H H 1 9.065 0.030 . 1 . . . . 64 CYS H . 11333 1 687 . 1 1 64 64 CYS HA H 1 5.022 0.030 . 1 . . . . 64 CYS HA . 11333 1 688 . 1 1 64 64 CYS HB2 H 1 2.624 0.030 . 2 . . . . 64 CYS HB2 . 11333 1 689 . 1 1 64 64 CYS HB3 H 1 3.258 0.030 . 2 . . . . 64 CYS HB3 . 11333 1 690 . 1 1 64 64 CYS C C 13 176.071 0.300 . 1 . . . . 64 CYS C . 11333 1 691 . 1 1 64 64 CYS CA C 13 58.844 0.300 . 1 . . . . 64 CYS CA . 11333 1 692 . 1 1 64 64 CYS CB C 13 31.908 0.300 . 1 . . . . 64 CYS CB . 11333 1 693 . 1 1 64 64 CYS N N 15 120.179 0.300 . 1 . . . . 64 CYS N . 11333 1 694 . 1 1 65 65 GLU H H 1 7.280 0.030 . 1 . . . . 65 GLU H . 11333 1 695 . 1 1 65 65 GLU HA H 1 4.055 0.030 . 1 . . . . 65 GLU HA . 11333 1 696 . 1 1 65 65 GLU HB2 H 1 2.293 0.030 . 2 . . . . 65 GLU HB2 . 11333 1 697 . 1 1 65 65 GLU HB3 H 1 2.194 0.030 . 2 . . . . 65 GLU HB3 . 11333 1 698 . 1 1 65 65 GLU HG2 H 1 2.037 0.030 . 2 . . . . 65 GLU HG2 . 11333 1 699 . 1 1 65 65 GLU HG3 H 1 1.970 0.030 . 2 . . . . 65 GLU HG3 . 11333 1 700 . 1 1 65 65 GLU C C 13 174.826 0.300 . 1 . . . . 65 GLU C . 11333 1 701 . 1 1 65 65 GLU CA C 13 58.594 0.300 . 1 . . . . 65 GLU CA . 11333 1 702 . 1 1 65 65 GLU CB C 13 26.903 0.300 . 1 . . . . 65 GLU CB . 11333 1 703 . 1 1 65 65 GLU CG C 13 37.274 0.300 . 1 . . . . 65 GLU CG . 11333 1 704 . 1 1 65 65 GLU N N 15 115.329 0.300 . 1 . . . . 65 GLU N . 11333 1 705 . 1 1 66 66 LYS H H 1 8.238 0.030 . 1 . . . . 66 LYS H . 11333 1 706 . 1 1 66 66 LYS HA H 1 4.303 0.030 . 1 . . . . 66 LYS HA . 11333 1 707 . 1 1 66 66 LYS HB2 H 1 2.097 0.030 . 2 . . . . 66 LYS HB2 . 11333 1 708 . 1 1 66 66 LYS HB3 H 1 1.687 0.030 . 2 . . . . 66 LYS HB3 . 11333 1 709 . 1 1 66 66 LYS HD2 H 1 1.590 0.030 . 2 . . . . 66 LYS HD2 . 11333 1 710 . 1 1 66 66 LYS HD3 H 1 1.883 0.030 . 2 . . . . 66 LYS HD3 . 11333 1 711 . 1 1 66 66 LYS HE2 H 1 3.122 0.030 . 2 . . . . 66 LYS HE2 . 11333 1 712 . 1 1 66 66 LYS HE3 H 1 2.990 0.030 . 2 . . . . 66 LYS HE3 . 11333 1 713 . 1 1 66 66 LYS HG2 H 1 1.092 0.030 . 2 . . . . 66 LYS HG2 . 11333 1 714 . 1 1 66 66 LYS HG3 H 1 1.343 0.030 . 2 . . . . 66 LYS HG3 . 11333 1 715 . 1 1 66 66 LYS C C 13 177.111 0.300 . 1 . . . . 66 LYS C . 11333 1 716 . 1 1 66 66 LYS CA C 13 57.160 0.300 . 1 . . . . 66 LYS CA . 11333 1 717 . 1 1 66 66 LYS CB C 13 34.235 0.300 . 1 . . . . 66 LYS CB . 11333 1 718 . 1 1 66 66 LYS CD C 13 28.646 0.300 . 1 . . . . 66 LYS CD . 11333 1 719 . 1 1 66 66 LYS CE C 13 41.895 0.300 . 1 . . . . 66 LYS CE . 11333 1 720 . 1 1 66 66 LYS CG C 13 24.593 0.300 . 1 . . . . 66 LYS CG . 11333 1 721 . 1 1 66 66 LYS N N 15 121.843 0.300 . 1 . . . . 66 LYS N . 11333 1 722 . 1 1 67 67 LEU H H 1 9.000 0.030 . 1 . . . . 67 LEU H . 11333 1 723 . 1 1 67 67 LEU HA H 1 4.932 0.030 . 1 . . . . 67 LEU HA . 11333 1 724 . 1 1 67 67 LEU HB2 H 1 1.787 0.030 . 2 . . . . 67 LEU HB2 . 11333 1 725 . 1 1 67 67 LEU HB3 H 1 1.556 0.030 . 2 . . . . 67 LEU HB3 . 11333 1 726 . 1 1 67 67 LEU HD11 H 1 0.735 0.030 . 1 . . . . 67 LEU HD1 . 11333 1 727 . 1 1 67 67 LEU HD12 H 1 0.735 0.030 . 1 . . . . 67 LEU HD1 . 11333 1 728 . 1 1 67 67 LEU HD13 H 1 0.735 0.030 . 1 . . . . 67 LEU HD1 . 11333 1 729 . 1 1 67 67 LEU HD21 H 1 0.823 0.030 . 1 . . . . 67 LEU HD2 . 11333 1 730 . 1 1 67 67 LEU HD22 H 1 0.823 0.030 . 1 . . . . 67 LEU HD2 . 11333 1 731 . 1 1 67 67 LEU HD23 H 1 0.823 0.030 . 1 . . . . 67 LEU HD2 . 11333 1 732 . 1 1 67 67 LEU HG H 1 1.462 0.030 . 1 . . . . 67 LEU HG . 11333 1 733 . 1 1 67 67 LEU C C 13 175.645 0.300 . 1 . . . . 67 LEU C . 11333 1 734 . 1 1 67 67 LEU CA C 13 54.966 0.300 . 1 . . . . 67 LEU CA . 11333 1 735 . 1 1 67 67 LEU CB C 13 42.218 0.300 . 1 . . . . 67 LEU CB . 11333 1 736 . 1 1 67 67 LEU CD1 C 13 23.917 0.300 . 2 . . . . 67 LEU CD1 . 11333 1 737 . 1 1 67 67 LEU CD2 C 13 25.951 0.300 . 2 . . . . 67 LEU CD2 . 11333 1 738 . 1 1 67 67 LEU CG C 13 27.166 0.300 . 1 . . . . 67 LEU CG . 11333 1 739 . 1 1 67 67 LEU N N 15 136.550 0.300 . 1 . . . . 67 LEU N . 11333 1 740 . 1 1 68 68 GLN H H 1 9.437 0.030 . 1 . . . . 68 GLN H . 11333 1 741 . 1 1 68 68 GLN HA H 1 5.017 0.030 . 1 . . . . 68 GLN HA . 11333 1 742 . 1 1 68 68 GLN HB2 H 1 2.353 0.030 . 2 . . . . 68 GLN HB2 . 11333 1 743 . 1 1 68 68 GLN HB3 H 1 1.764 0.030 . 2 . . . . 68 GLN HB3 . 11333 1 744 . 1 1 68 68 GLN HE21 H 1 6.903 0.030 . 2 . . . . 68 GLN HE21 . 11333 1 745 . 1 1 68 68 GLN HE22 H 1 8.701 0.030 . 2 . . . . 68 GLN HE22 . 11333 1 746 . 1 1 68 68 GLN HG2 H 1 2.292 0.030 . 2 . . . . 68 GLN HG2 . 11333 1 747 . 1 1 68 68 GLN HG3 H 1 2.209 0.030 . 2 . . . . 68 GLN HG3 . 11333 1 748 . 1 1 68 68 GLN C C 13 173.692 0.300 . 1 . . . . 68 GLN C . 11333 1 749 . 1 1 68 68 GLN CA C 13 53.933 0.300 . 1 . . . . 68 GLN CA . 11333 1 750 . 1 1 68 68 GLN CB C 13 35.246 0.300 . 1 . . . . 68 GLN CB . 11333 1 751 . 1 1 68 68 GLN CG C 13 32.856 0.300 . 1 . . . . 68 GLN CG . 11333 1 752 . 1 1 68 68 GLN N N 15 124.362 0.300 . 1 . . . . 68 GLN N . 11333 1 753 . 1 1 68 68 GLN NE2 N 15 111.939 0.300 . 1 . . . . 68 GLN NE2 . 11333 1 754 . 1 1 69 69 HIS H H 1 8.859 0.030 . 1 . . . . 69 HIS H . 11333 1 755 . 1 1 69 69 HIS HA H 1 4.786 0.030 . 1 . . . . 69 HIS HA . 11333 1 756 . 1 1 69 69 HIS HB2 H 1 3.278 0.030 . 2 . . . . 69 HIS HB2 . 11333 1 757 . 1 1 69 69 HIS HB3 H 1 3.206 0.030 . 2 . . . . 69 HIS HB3 . 11333 1 758 . 1 1 69 69 HIS HD2 H 1 7.185 0.030 . 1 . . . . 69 HIS HD2 . 11333 1 759 . 1 1 69 69 HIS HE1 H 1 8.142 0.030 . 1 . . . . 69 HIS HE1 . 11333 1 760 . 1 1 69 69 HIS C C 13 174.844 0.300 . 1 . . . . 69 HIS C . 11333 1 761 . 1 1 69 69 HIS CA C 13 56.223 0.300 . 1 . . . . 69 HIS CA . 11333 1 762 . 1 1 69 69 HIS CB C 13 29.670 0.300 . 1 . . . . 69 HIS CB . 11333 1 763 . 1 1 69 69 HIS CD2 C 13 120.505 0.300 . 1 . . . . 69 HIS CD2 . 11333 1 764 . 1 1 69 69 HIS CE1 C 13 137.738 0.300 . 1 . . . . 69 HIS CE1 . 11333 1 765 . 1 1 69 69 HIS N N 15 118.467 0.300 . 1 . . . . 69 HIS N . 11333 1 766 . 1 1 70 70 ALA H H 1 7.831 0.030 . 1 . . . . 70 ALA H . 11333 1 767 . 1 1 70 70 ALA HA H 1 3.965 0.030 . 1 . . . . 70 ALA HA . 11333 1 768 . 1 1 70 70 ALA HB1 H 1 1.304 0.030 . 1 . . . . 70 ALA HB . 11333 1 769 . 1 1 70 70 ALA HB2 H 1 1.304 0.030 . 1 . . . . 70 ALA HB . 11333 1 770 . 1 1 70 70 ALA HB3 H 1 1.304 0.030 . 1 . . . . 70 ALA HB . 11333 1 771 . 1 1 70 70 ALA C C 13 175.676 0.300 . 1 . . . . 70 ALA C . 11333 1 772 . 1 1 70 70 ALA CA C 13 54.630 0.300 . 1 . . . . 70 ALA CA . 11333 1 773 . 1 1 70 70 ALA CB C 13 17.858 0.300 . 1 . . . . 70 ALA CB . 11333 1 774 . 1 1 70 70 ALA N N 15 120.909 0.300 . 1 . . . . 70 ALA N . 11333 1 775 . 1 1 71 71 GLN H H 1 7.289 0.030 . 1 . . . . 71 GLN H . 11333 1 776 . 1 1 71 71 GLN HA H 1 4.370 0.030 . 1 . . . . 71 GLN HA . 11333 1 777 . 1 1 71 71 GLN HB2 H 1 2.095 0.030 . 2 . . . . 71 GLN HB2 . 11333 1 778 . 1 1 71 71 GLN HB3 H 1 2.624 0.030 . 2 . . . . 71 GLN HB3 . 11333 1 779 . 1 1 71 71 GLN HE21 H 1 8.040 0.030 . 2 . . . . 71 GLN HE21 . 11333 1 780 . 1 1 71 71 GLN HE22 H 1 7.051 0.030 . 2 . . . . 71 GLN HE22 . 11333 1 781 . 1 1 71 71 GLN HG2 H 1 2.468 0.030 . 2 . . . . 71 GLN HG2 . 11333 1 782 . 1 1 71 71 GLN HG3 H 1 2.676 0.030 . 2 . . . . 71 GLN HG3 . 11333 1 783 . 1 1 71 71 GLN C C 13 173.013 0.300 . 1 . . . . 71 GLN C . 11333 1 784 . 1 1 71 71 GLN CA C 13 54.442 0.300 . 1 . . . . 71 GLN CA . 11333 1 785 . 1 1 71 71 GLN CB C 13 28.246 0.300 . 1 . . . . 71 GLN CB . 11333 1 786 . 1 1 71 71 GLN CG C 13 29.021 0.300 . 1 . . . . 71 GLN CG . 11333 1 787 . 1 1 71 71 GLN N N 15 116.451 0.300 . 1 . . . . 71 GLN N . 11333 1 788 . 1 1 71 71 GLN NE2 N 15 113.051 0.300 . 1 . . . . 71 GLN NE2 . 11333 1 789 . 1 1 72 72 GLN H H 1 8.518 0.030 . 1 . . . . 72 GLN H . 11333 1 790 . 1 1 72 72 GLN HA H 1 3.535 0.030 . 1 . . . . 72 GLN HA . 11333 1 791 . 1 1 72 72 GLN HB2 H 1 2.015 0.030 . 2 . . . . 72 GLN HB2 . 11333 1 792 . 1 1 72 72 GLN HB3 H 1 1.825 0.030 . 2 . . . . 72 GLN HB3 . 11333 1 793 . 1 1 72 72 GLN HE21 H 1 7.698 0.030 . 2 . . . . 72 GLN HE21 . 11333 1 794 . 1 1 72 72 GLN HE22 H 1 6.609 0.030 . 2 . . . . 72 GLN HE22 . 11333 1 795 . 1 1 72 72 GLN HG2 H 1 2.662 0.030 . 2 . . . . 72 GLN HG2 . 11333 1 796 . 1 1 72 72 GLN HG3 H 1 2.529 0.030 . 2 . . . . 72 GLN HG3 . 11333 1 797 . 1 1 72 72 GLN C C 13 174.000 0.300 . 1 . . . . 72 GLN C . 11333 1 798 . 1 1 72 72 GLN CA C 13 60.220 0.300 . 1 . . . . 72 GLN CA . 11333 1 799 . 1 1 72 72 GLN CB C 13 28.859 0.300 . 1 . . . . 72 GLN CB . 11333 1 800 . 1 1 72 72 GLN CG C 13 34.524 0.300 . 1 . . . . 72 GLN CG . 11333 1 801 . 1 1 72 72 GLN N N 15 116.478 0.300 . 1 . . . . 72 GLN N . 11333 1 802 . 1 1 72 72 GLN NE2 N 15 110.818 0.300 . 1 . . . . 72 GLN NE2 . 11333 1 803 . 1 1 73 73 THR H H 1 7.143 0.030 . 1 . . . . 73 THR H . 11333 1 804 . 1 1 73 73 THR HA H 1 4.211 0.030 . 1 . . . . 73 THR HA . 11333 1 805 . 1 1 73 73 THR HB H 1 3.441 0.030 . 1 . . . . 73 THR HB . 11333 1 806 . 1 1 73 73 THR HG21 H 1 0.863 0.030 . 1 . . . . 73 THR HG2 . 11333 1 807 . 1 1 73 73 THR HG22 H 1 0.863 0.030 . 1 . . . . 73 THR HG2 . 11333 1 808 . 1 1 73 73 THR HG23 H 1 0.863 0.030 . 1 . . . . 73 THR HG2 . 11333 1 809 . 1 1 73 73 THR C C 13 172.137 0.300 . 1 . . . . 73 THR C . 11333 1 810 . 1 1 73 73 THR CA C 13 58.700 0.300 . 1 . . . . 73 THR CA . 11333 1 811 . 1 1 73 73 THR CB C 13 71.520 0.300 . 1 . . . . 73 THR CB . 11333 1 812 . 1 1 73 73 THR CG2 C 13 21.926 0.300 . 1 . . . . 73 THR CG2 . 11333 1 813 . 1 1 73 73 THR N N 15 108.262 0.300 . 1 . . . . 73 THR N . 11333 1 814 . 1 1 74 74 CYS H H 1 7.726 0.030 . 1 . . . . 74 CYS H . 11333 1 815 . 1 1 74 74 CYS HA H 1 4.239 0.030 . 1 . . . . 74 CYS HA . 11333 1 816 . 1 1 74 74 CYS HB2 H 1 3.017 0.030 . 2 . . . . 74 CYS HB2 . 11333 1 817 . 1 1 74 74 CYS HB3 H 1 2.810 0.030 . 2 . . . . 74 CYS HB3 . 11333 1 818 . 1 1 74 74 CYS C C 13 178.769 0.300 . 1 . . . . 74 CYS C . 11333 1 819 . 1 1 74 74 CYS CA C 13 58.828 0.300 . 1 . . . . 74 CYS CA . 11333 1 820 . 1 1 74 74 CYS CB C 13 31.118 0.300 . 1 . . . . 74 CYS CB . 11333 1 821 . 1 1 74 74 CYS N N 15 123.363 0.300 . 1 . . . . 74 CYS N . 11333 1 822 . 1 1 75 75 GLU H H 1 9.255 0.030 . 1 . . . . 75 GLU H . 11333 1 823 . 1 1 75 75 GLU HA H 1 4.134 0.030 . 1 . . . . 75 GLU HA . 11333 1 824 . 1 1 75 75 GLU HB2 H 1 2.087 0.030 . 1 . . . . 75 GLU HB2 . 11333 1 825 . 1 1 75 75 GLU HB3 H 1 2.087 0.030 . 1 . . . . 75 GLU HB3 . 11333 1 826 . 1 1 75 75 GLU HG2 H 1 2.069 0.030 . 2 . . . . 75 GLU HG2 . 11333 1 827 . 1 1 75 75 GLU HG3 H 1 2.207 0.030 . 2 . . . . 75 GLU HG3 . 11333 1 828 . 1 1 75 75 GLU C C 13 175.529 0.300 . 1 . . . . 75 GLU C . 11333 1 829 . 1 1 75 75 GLU CA C 13 57.573 0.300 . 1 . . . . 75 GLU CA . 11333 1 830 . 1 1 75 75 GLU CB C 13 29.451 0.300 . 1 . . . . 75 GLU CB . 11333 1 831 . 1 1 75 75 GLU CG C 13 34.002 0.300 . 1 . . . . 75 GLU CG . 11333 1 832 . 1 1 75 75 GLU N N 15 130.014 0.300 . 1 . . . . 75 GLU N . 11333 1 833 . 1 1 76 76 ASP H H 1 9.184 0.030 . 1 . . . . 76 ASP H . 11333 1 834 . 1 1 76 76 ASP HA H 1 4.973 0.030 . 1 . . . . 76 ASP HA . 11333 1 835 . 1 1 76 76 ASP HB2 H 1 2.738 0.030 . 2 . . . . 76 ASP HB2 . 11333 1 836 . 1 1 76 76 ASP HB3 H 1 2.639 0.030 . 2 . . . . 76 ASP HB3 . 11333 1 837 . 1 1 76 76 ASP C C 13 177.316 0.300 . 1 . . . . 76 ASP C . 11333 1 838 . 1 1 76 76 ASP CA C 13 55.630 0.300 . 1 . . . . 76 ASP CA . 11333 1 839 . 1 1 76 76 ASP CB C 13 42.828 0.300 . 1 . . . . 76 ASP CB . 11333 1 840 . 1 1 76 76 ASP N N 15 123.395 0.300 . 1 . . . . 76 ASP N . 11333 1 841 . 1 1 77 77 CYS H H 1 8.734 0.030 . 1 . . . . 77 CYS H . 11333 1 842 . 1 1 77 77 CYS HA H 1 5.018 0.030 . 1 . . . . 77 CYS HA . 11333 1 843 . 1 1 77 77 CYS HB2 H 1 3.334 0.030 . 2 . . . . 77 CYS HB2 . 11333 1 844 . 1 1 77 77 CYS HB3 H 1 2.694 0.030 . 2 . . . . 77 CYS HB3 . 11333 1 845 . 1 1 77 77 CYS C C 13 176.348 0.300 . 1 . . . . 77 CYS C . 11333 1 846 . 1 1 77 77 CYS CA C 13 58.809 0.300 . 1 . . . . 77 CYS CA . 11333 1 847 . 1 1 77 77 CYS CB C 13 31.349 0.300 . 1 . . . . 77 CYS CB . 11333 1 848 . 1 1 77 77 CYS N N 15 120.067 0.300 . 1 . . . . 77 CYS N . 11333 1 849 . 1 1 78 78 SER H H 1 7.535 0.030 . 1 . . . . 78 SER H . 11333 1 850 . 1 1 78 78 SER HA H 1 4.042 0.030 . 1 . . . . 78 SER HA . 11333 1 851 . 1 1 78 78 SER HB2 H 1 4.112 0.030 . 2 . . . . 78 SER HB2 . 11333 1 852 . 1 1 78 78 SER HB3 H 1 4.008 0.030 . 2 . . . . 78 SER HB3 . 11333 1 853 . 1 1 78 78 SER C C 13 174.560 0.300 . 1 . . . . 78 SER C . 11333 1 854 . 1 1 78 78 SER CA C 13 60.517 0.300 . 1 . . . . 78 SER CA . 11333 1 855 . 1 1 78 78 SER CB C 13 61.514 0.300 . 1 . . . . 78 SER CB . 11333 1 856 . 1 1 78 78 SER N N 15 113.313 0.300 . 1 . . . . 78 SER N . 11333 1 857 . 1 1 79 79 THR H H 1 7.904 0.030 . 1 . . . . 79 THR H . 11333 1 858 . 1 1 79 79 THR HA H 1 3.837 0.030 . 1 . . . . 79 THR HA . 11333 1 859 . 1 1 79 79 THR HB H 1 4.051 0.030 . 1 . . . . 79 THR HB . 11333 1 860 . 1 1 79 79 THR HG21 H 1 1.181 0.030 . 1 . . . . 79 THR HG2 . 11333 1 861 . 1 1 79 79 THR HG22 H 1 1.181 0.030 . 1 . . . . 79 THR HG2 . 11333 1 862 . 1 1 79 79 THR HG23 H 1 1.181 0.030 . 1 . . . . 79 THR HG2 . 11333 1 863 . 1 1 79 79 THR C C 13 172.306 0.300 . 1 . . . . 79 THR C . 11333 1 864 . 1 1 79 79 THR CA C 13 65.710 0.300 . 1 . . . . 79 THR CA . 11333 1 865 . 1 1 79 79 THR CB C 13 70.109 0.300 . 1 . . . . 79 THR CB . 11333 1 866 . 1 1 79 79 THR CG2 C 13 21.321 0.300 . 1 . . . . 79 THR CG2 . 11333 1 867 . 1 1 79 79 THR N N 15 120.185 0.300 . 1 . . . . 79 THR N . 11333 1 868 . 1 1 80 80 LEU H H 1 8.519 0.030 . 1 . . . . 80 LEU H . 11333 1 869 . 1 1 80 80 LEU HA H 1 4.152 0.030 . 1 . . . . 80 LEU HA . 11333 1 870 . 1 1 80 80 LEU HB2 H 1 1.427 0.030 . 2 . . . . 80 LEU HB2 . 11333 1 871 . 1 1 80 80 LEU HB3 H 1 1.907 0.030 . 2 . . . . 80 LEU HB3 . 11333 1 872 . 1 1 80 80 LEU HD11 H 1 0.925 0.030 . 1 . . . . 80 LEU HD1 . 11333 1 873 . 1 1 80 80 LEU HD12 H 1 0.925 0.030 . 1 . . . . 80 LEU HD1 . 11333 1 874 . 1 1 80 80 LEU HD13 H 1 0.925 0.030 . 1 . . . . 80 LEU HD1 . 11333 1 875 . 1 1 80 80 LEU HD21 H 1 0.919 0.030 . 1 . . . . 80 LEU HD2 . 11333 1 876 . 1 1 80 80 LEU HD22 H 1 0.919 0.030 . 1 . . . . 80 LEU HD2 . 11333 1 877 . 1 1 80 80 LEU HD23 H 1 0.919 0.030 . 1 . . . . 80 LEU HD2 . 11333 1 878 . 1 1 80 80 LEU HG H 1 1.123 0.030 . 1 . . . . 80 LEU HG . 11333 1 879 . 1 1 80 80 LEU C C 13 176.772 0.300 . 1 . . . . 80 LEU C . 11333 1 880 . 1 1 80 80 LEU CA C 13 54.611 0.300 . 1 . . . . 80 LEU CA . 11333 1 881 . 1 1 80 80 LEU CB C 13 42.261 0.300 . 1 . . . . 80 LEU CB . 11333 1 882 . 1 1 80 80 LEU CD1 C 13 23.420 0.300 . 2 . . . . 80 LEU CD1 . 11333 1 883 . 1 1 80 80 LEU CD2 C 13 26.399 0.300 . 2 . . . . 80 LEU CD2 . 11333 1 884 . 1 1 80 80 LEU CG C 13 27.385 0.300 . 1 . . . . 80 LEU CG . 11333 1 885 . 1 1 80 80 LEU N N 15 128.819 0.300 . 1 . . . . 80 LEU N . 11333 1 886 . 1 1 81 81 PHE H H 1 9.131 0.030 . 1 . . . . 81 PHE H . 11333 1 887 . 1 1 81 81 PHE HA H 1 4.606 0.030 . 1 . . . . 81 PHE HA . 11333 1 888 . 1 1 81 81 PHE HB2 H 1 3.184 0.030 . 2 . . . . 81 PHE HB2 . 11333 1 889 . 1 1 81 81 PHE HB3 H 1 2.846 0.030 . 2 . . . . 81 PHE HB3 . 11333 1 890 . 1 1 81 81 PHE HD1 H 1 7.058 0.030 . 1 . . . . 81 PHE HD1 . 11333 1 891 . 1 1 81 81 PHE HD2 H 1 7.058 0.030 . 1 . . . . 81 PHE HD2 . 11333 1 892 . 1 1 81 81 PHE HE1 H 1 6.783 0.030 . 1 . . . . 81 PHE HE1 . 11333 1 893 . 1 1 81 81 PHE HE2 H 1 6.783 0.030 . 1 . . . . 81 PHE HE2 . 11333 1 894 . 1 1 81 81 PHE HZ H 1 7.164 0.030 . 1 . . . . 81 PHE HZ . 11333 1 895 . 1 1 81 81 PHE C C 13 177.404 0.300 . 1 . . . . 81 PHE C . 11333 1 896 . 1 1 81 81 PHE CA C 13 57.344 0.300 . 1 . . . . 81 PHE CA . 11333 1 897 . 1 1 81 81 PHE CB C 13 38.846 0.300 . 1 . . . . 81 PHE CB . 11333 1 898 . 1 1 81 81 PHE CD1 C 13 131.922 0.300 . 1 . . . . 81 PHE CD1 . 11333 1 899 . 1 1 81 81 PHE CD2 C 13 131.922 0.300 . 1 . . . . 81 PHE CD2 . 11333 1 900 . 1 1 81 81 PHE CE1 C 13 132.232 0.300 . 1 . . . . 81 PHE CE1 . 11333 1 901 . 1 1 81 81 PHE CE2 C 13 132.232 0.300 . 1 . . . . 81 PHE CE2 . 11333 1 902 . 1 1 81 81 PHE CZ C 13 128.112 0.300 . 1 . . . . 81 PHE CZ . 11333 1 903 . 1 1 81 81 PHE N N 15 129.714 0.300 . 1 . . . . 81 PHE N . 11333 1 904 . 1 1 82 82 GLY H H 1 6.953 0.030 . 1 . . . . 82 GLY H . 11333 1 905 . 1 1 82 82 GLY HA2 H 1 3.789 0.030 . 2 . . . . 82 GLY HA2 . 11333 1 906 . 1 1 82 82 GLY HA3 H 1 4.762 0.030 . 2 . . . . 82 GLY HA3 . 11333 1 907 . 1 1 82 82 GLY C C 13 171.676 0.300 . 1 . . . . 82 GLY C . 11333 1 908 . 1 1 82 82 GLY CA C 13 45.595 0.300 . 1 . . . . 82 GLY CA . 11333 1 909 . 1 1 82 82 GLY N N 15 100.491 0.300 . 1 . . . . 82 GLY N . 11333 1 910 . 1 1 83 83 GLU H H 1 8.472 0.030 . 1 . . . . 83 GLU H . 11333 1 911 . 1 1 83 83 GLU HA H 1 4.080 0.030 . 1 . . . . 83 GLU HA . 11333 1 912 . 1 1 83 83 GLU HB2 H 1 2.298 0.030 . 1 . . . . 83 GLU HB2 . 11333 1 913 . 1 1 83 83 GLU HB3 H 1 2.298 0.030 . 1 . . . . 83 GLU HB3 . 11333 1 914 . 1 1 83 83 GLU HG2 H 1 2.543 0.030 . 2 . . . . 83 GLU HG2 . 11333 1 915 . 1 1 83 83 GLU HG3 H 1 2.436 0.030 . 2 . . . . 83 GLU HG3 . 11333 1 916 . 1 1 83 83 GLU C C 13 177.240 0.300 . 1 . . . . 83 GLU C . 11333 1 917 . 1 1 83 83 GLU CA C 13 59.559 0.300 . 1 . . . . 83 GLU CA . 11333 1 918 . 1 1 83 83 GLU CB C 13 30.899 0.300 . 1 . . . . 83 GLU CB . 11333 1 919 . 1 1 83 83 GLU CG C 13 36.386 0.300 . 1 . . . . 83 GLU CG . 11333 1 920 . 1 1 83 83 GLU N N 15 127.136 0.300 . 1 . . . . 83 GLU N . 11333 1 921 . 1 1 84 84 TYR H H 1 9.432 0.030 . 1 . . . . 84 TYR H . 11333 1 922 . 1 1 84 84 TYR HA H 1 4.593 0.030 . 1 . . . . 84 TYR HA . 11333 1 923 . 1 1 84 84 TYR HB2 H 1 2.510 0.030 . 2 . . . . 84 TYR HB2 . 11333 1 924 . 1 1 84 84 TYR HB3 H 1 2.763 0.030 . 2 . . . . 84 TYR HB3 . 11333 1 925 . 1 1 84 84 TYR C C 13 173.249 0.300 . 1 . . . . 84 TYR C . 11333 1 926 . 1 1 84 84 TYR CA C 13 57.395 0.300 . 1 . . . . 84 TYR CA . 11333 1 927 . 1 1 84 84 TYR CB C 13 40.998 0.300 . 1 . . . . 84 TYR CB . 11333 1 928 . 1 1 84 84 TYR N N 15 119.085 0.300 . 1 . . . . 84 TYR N . 11333 1 929 . 1 1 85 85 TYR H H 1 7.414 0.030 . 1 . . . . 85 TYR H . 11333 1 930 . 1 1 85 85 TYR HA H 1 5.283 0.030 . 1 . . . . 85 TYR HA . 11333 1 931 . 1 1 85 85 TYR HB2 H 1 2.627 0.030 . 2 . . . . 85 TYR HB2 . 11333 1 932 . 1 1 85 85 TYR HB3 H 1 2.090 0.030 . 2 . . . . 85 TYR HB3 . 11333 1 933 . 1 1 85 85 TYR C C 13 172.893 0.300 . 1 . . . . 85 TYR C . 11333 1 934 . 1 1 85 85 TYR CA C 13 53.625 0.300 . 1 . . . . 85 TYR CA . 11333 1 935 . 1 1 85 85 TYR CB C 13 41.166 0.300 . 1 . . . . 85 TYR CB . 11333 1 936 . 1 1 85 85 TYR N N 15 125.105 0.300 . 1 . . . . 85 TYR N . 11333 1 937 . 1 1 86 86 CYS H H 1 7.230 0.030 . 1 . . . . 86 CYS H . 11333 1 938 . 1 1 86 86 CYS HA H 1 3.887 0.030 . 1 . . . . 86 CYS HA . 11333 1 939 . 1 1 86 86 CYS HB2 H 1 2.634 0.030 . 2 . . . . 86 CYS HB2 . 11333 1 940 . 1 1 86 86 CYS HB3 H 1 2.408 0.030 . 2 . . . . 86 CYS HB3 . 11333 1 941 . 1 1 86 86 CYS C C 13 174.903 0.300 . 1 . . . . 86 CYS C . 11333 1 942 . 1 1 86 86 CYS CA C 13 56.260 0.300 . 1 . . . . 86 CYS CA . 11333 1 943 . 1 1 86 86 CYS CB C 13 33.134 0.300 . 1 . . . . 86 CYS CB . 11333 1 944 . 1 1 86 86 CYS N N 15 128.934 0.300 . 1 . . . . 86 CYS N . 11333 1 945 . 1 1 87 87 SER H H 1 8.055 0.030 . 1 . . . . 87 SER H . 11333 1 946 . 1 1 87 87 SER HA H 1 3.478 0.030 . 1 . . . . 87 SER HA . 11333 1 947 . 1 1 87 87 SER HB2 H 1 3.931 0.030 . 2 . . . . 87 SER HB2 . 11333 1 948 . 1 1 87 87 SER HB3 H 1 3.457 0.030 . 2 . . . . 87 SER HB3 . 11333 1 949 . 1 1 87 87 SER C C 13 172.514 0.300 . 1 . . . . 87 SER C . 11333 1 950 . 1 1 87 87 SER CA C 13 58.980 0.300 . 1 . . . . 87 SER CA . 11333 1 951 . 1 1 87 87 SER CB C 13 62.996 0.300 . 1 . . . . 87 SER CB . 11333 1 952 . 1 1 87 87 SER N N 15 123.079 0.300 . 1 . . . . 87 SER N . 11333 1 953 . 1 1 88 88 ILE H H 1 7.974 0.030 . 1 . . . . 88 ILE H . 11333 1 954 . 1 1 88 88 ILE HA H 1 3.666 0.030 . 1 . . . . 88 ILE HA . 11333 1 955 . 1 1 88 88 ILE HB H 1 1.023 0.030 . 1 . . . . 88 ILE HB . 11333 1 956 . 1 1 88 88 ILE HD11 H 1 0.196 0.030 . 1 . . . . 88 ILE HD1 . 11333 1 957 . 1 1 88 88 ILE HD12 H 1 0.196 0.030 . 1 . . . . 88 ILE HD1 . 11333 1 958 . 1 1 88 88 ILE HD13 H 1 0.196 0.030 . 1 . . . . 88 ILE HD1 . 11333 1 959 . 1 1 88 88 ILE HG12 H 1 0.707 0.030 . 2 . . . . 88 ILE HG12 . 11333 1 960 . 1 1 88 88 ILE HG13 H 1 1.100 0.030 . 2 . . . . 88 ILE HG13 . 11333 1 961 . 1 1 88 88 ILE HG21 H 1 0.845 0.030 . 1 . . . . 88 ILE HG2 . 11333 1 962 . 1 1 88 88 ILE HG22 H 1 0.845 0.030 . 1 . . . . 88 ILE HG2 . 11333 1 963 . 1 1 88 88 ILE HG23 H 1 0.845 0.030 . 1 . . . . 88 ILE HG2 . 11333 1 964 . 1 1 88 88 ILE C C 13 177.225 0.300 . 1 . . . . 88 ILE C . 11333 1 965 . 1 1 88 88 ILE CA C 13 63.663 0.300 . 1 . . . . 88 ILE CA . 11333 1 966 . 1 1 88 88 ILE CB C 13 39.357 0.300 . 1 . . . . 88 ILE CB . 11333 1 967 . 1 1 88 88 ILE CD1 C 13 12.753 0.300 . 1 . . . . 88 ILE CD1 . 11333 1 968 . 1 1 88 88 ILE CG1 C 13 27.464 0.300 . 1 . . . . 88 ILE CG1 . 11333 1 969 . 1 1 88 88 ILE CG2 C 13 17.638 0.300 . 1 . . . . 88 ILE CG2 . 11333 1 970 . 1 1 88 88 ILE N N 15 124.618 0.300 . 1 . . . . 88 ILE N . 11333 1 971 . 1 1 89 89 CYS H H 1 8.566 0.030 . 1 . . . . 89 CYS H . 11333 1 972 . 1 1 89 89 CYS HA H 1 3.658 0.030 . 1 . . . . 89 CYS HA . 11333 1 973 . 1 1 89 89 CYS HB2 H 1 2.493 0.030 . 2 . . . . 89 CYS HB2 . 11333 1 974 . 1 1 89 89 CYS HB3 H 1 2.810 0.030 . 2 . . . . 89 CYS HB3 . 11333 1 975 . 1 1 89 89 CYS C C 13 175.272 0.300 . 1 . . . . 89 CYS C . 11333 1 976 . 1 1 89 89 CYS CA C 13 61.060 0.300 . 1 . . . . 89 CYS CA . 11333 1 977 . 1 1 89 89 CYS CB C 13 30.879 0.300 . 1 . . . . 89 CYS CB . 11333 1 978 . 1 1 89 89 CYS N N 15 119.769 0.300 . 1 . . . . 89 CYS N . 11333 1 979 . 1 1 90 90 HIS H H 1 7.392 0.030 . 1 . . . . 90 HIS H . 11333 1 980 . 1 1 90 90 HIS HA H 1 3.455 0.030 . 1 . . . . 90 HIS HA . 11333 1 981 . 1 1 90 90 HIS HB2 H 1 2.898 0.030 . 2 . . . . 90 HIS HB2 . 11333 1 982 . 1 1 90 90 HIS HB3 H 1 3.546 0.030 . 2 . . . . 90 HIS HB3 . 11333 1 983 . 1 1 90 90 HIS HD2 H 1 6.930 0.030 . 1 . . . . 90 HIS HD2 . 11333 1 984 . 1 1 90 90 HIS HE1 H 1 8.410 0.030 . 1 . . . . 90 HIS HE1 . 11333 1 985 . 1 1 90 90 HIS C C 13 170.388 0.300 . 1 . . . . 90 HIS C . 11333 1 986 . 1 1 90 90 HIS CA C 13 59.017 0.300 . 1 . . . . 90 HIS CA . 11333 1 987 . 1 1 90 90 HIS CB C 13 24.927 0.300 . 1 . . . . 90 HIS CB . 11333 1 988 . 1 1 90 90 HIS CD2 C 13 117.228 0.300 . 1 . . . . 90 HIS CD2 . 11333 1 989 . 1 1 90 90 HIS CE1 C 13 136.730 0.300 . 1 . . . . 90 HIS CE1 . 11333 1 990 . 1 1 90 90 HIS N N 15 111.319 0.300 . 1 . . . . 90 HIS N . 11333 1 991 . 1 1 91 91 LEU H H 1 6.250 0.030 . 1 . . . . 91 LEU H . 11333 1 992 . 1 1 91 91 LEU HA H 1 4.171 0.030 . 1 . . . . 91 LEU HA . 11333 1 993 . 1 1 91 91 LEU HB2 H 1 1.243 0.030 . 2 . . . . 91 LEU HB2 . 11333 1 994 . 1 1 91 91 LEU HB3 H 1 1.488 0.030 . 2 . . . . 91 LEU HB3 . 11333 1 995 . 1 1 91 91 LEU HD11 H 1 0.689 0.030 . 1 . . . . 91 LEU HD1 . 11333 1 996 . 1 1 91 91 LEU HD12 H 1 0.689 0.030 . 1 . . . . 91 LEU HD1 . 11333 1 997 . 1 1 91 91 LEU HD13 H 1 0.689 0.030 . 1 . . . . 91 LEU HD1 . 11333 1 998 . 1 1 91 91 LEU HD21 H 1 1.021 0.030 . 1 . . . . 91 LEU HD2 . 11333 1 999 . 1 1 91 91 LEU HD22 H 1 1.021 0.030 . 1 . . . . 91 LEU HD2 . 11333 1 1000 . 1 1 91 91 LEU HD23 H 1 1.021 0.030 . 1 . . . . 91 LEU HD2 . 11333 1 1001 . 1 1 91 91 LEU HG H 1 1.236 0.030 . 1 . . . . 91 LEU HG . 11333 1 1002 . 1 1 91 91 LEU C C 13 174.161 0.300 . 1 . . . . 91 LEU C . 11333 1 1003 . 1 1 91 91 LEU CA C 13 53.973 0.300 . 1 . . . . 91 LEU CA . 11333 1 1004 . 1 1 91 91 LEU CB C 13 45.439 0.300 . 1 . . . . 91 LEU CB . 11333 1 1005 . 1 1 91 91 LEU CD1 C 13 24.354 0.300 . 2 . . . . 91 LEU CD1 . 11333 1 1006 . 1 1 91 91 LEU CD2 C 13 25.443 0.300 . 2 . . . . 91 LEU CD2 . 11333 1 1007 . 1 1 91 91 LEU CG C 13 28.083 0.300 . 1 . . . . 91 LEU CG . 11333 1 1008 . 1 1 91 91 LEU N N 15 115.593 0.300 . 1 . . . . 91 LEU N . 11333 1 1009 . 1 1 92 92 PHE H H 1 6.768 0.030 . 1 . . . . 92 PHE H . 11333 1 1010 . 1 1 92 92 PHE HA H 1 5.644 0.030 . 1 . . . . 92 PHE HA . 11333 1 1011 . 1 1 92 92 PHE HB2 H 1 2.459 0.030 . 2 . . . . 92 PHE HB2 . 11333 1 1012 . 1 1 92 92 PHE HB3 H 1 2.940 0.030 . 2 . . . . 92 PHE HB3 . 11333 1 1013 . 1 1 92 92 PHE HD1 H 1 6.783 0.030 . 1 . . . . 92 PHE HD1 . 11333 1 1014 . 1 1 92 92 PHE HD2 H 1 6.783 0.030 . 1 . . . . 92 PHE HD2 . 11333 1 1015 . 1 1 92 92 PHE HE1 H 1 7.048 0.030 . 1 . . . . 92 PHE HE1 . 11333 1 1016 . 1 1 92 92 PHE HE2 H 1 7.048 0.030 . 1 . . . . 92 PHE HE2 . 11333 1 1017 . 1 1 92 92 PHE HZ H 1 6.711 0.030 . 1 . . . . 92 PHE HZ . 11333 1 1018 . 1 1 92 92 PHE C C 13 175.697 0.300 . 1 . . . . 92 PHE C . 11333 1 1019 . 1 1 92 92 PHE CA C 13 55.620 0.300 . 1 . . . . 92 PHE CA . 11333 1 1020 . 1 1 92 92 PHE CB C 13 42.982 0.300 . 1 . . . . 92 PHE CB . 11333 1 1021 . 1 1 92 92 PHE CD1 C 13 132.215 0.300 . 1 . . . . 92 PHE CD1 . 11333 1 1022 . 1 1 92 92 PHE CD2 C 13 132.215 0.300 . 1 . . . . 92 PHE CD2 . 11333 1 1023 . 1 1 92 92 PHE CE1 C 13 132.215 0.300 . 1 . . . . 92 PHE CE1 . 11333 1 1024 . 1 1 92 92 PHE CE2 C 13 132.215 0.300 . 1 . . . . 92 PHE CE2 . 11333 1 1025 . 1 1 92 92 PHE CZ C 13 130.456 0.300 . 1 . . . . 92 PHE CZ . 11333 1 1026 . 1 1 92 92 PHE N N 15 121.698 0.300 . 1 . . . . 92 PHE N . 11333 1 1027 . 1 1 93 93 ASP H H 1 9.283 0.030 . 1 . . . . 93 ASP H . 11333 1 1028 . 1 1 93 93 ASP HA H 1 5.738 0.030 . 1 . . . . 93 ASP HA . 11333 1 1029 . 1 1 93 93 ASP HB2 H 1 2.946 0.030 . 2 . . . . 93 ASP HB2 . 11333 1 1030 . 1 1 93 93 ASP HB3 H 1 2.726 0.030 . 2 . . . . 93 ASP HB3 . 11333 1 1031 . 1 1 93 93 ASP CA C 13 53.319 0.300 . 1 . . . . 93 ASP CA . 11333 1 1032 . 1 1 93 93 ASP CB C 13 44.525 0.300 . 1 . . . . 93 ASP CB . 11333 1 1033 . 1 1 93 93 ASP N N 15 123.694 0.300 . 1 . . . . 93 ASP N . 11333 1 1034 . 1 1 94 94 LYS H H 1 8.984 0.030 . 1 . . . . 94 LYS H . 11333 1 1035 . 1 1 94 94 LYS HA H 1 4.499 0.030 . 1 . . . . 94 LYS HA . 11333 1 1036 . 1 1 94 94 LYS HB2 H 1 1.887 0.030 . 2 . . . . 94 LYS HB2 . 11333 1 1037 . 1 1 94 94 LYS HB3 H 1 2.077 0.030 . 2 . . . . 94 LYS HB3 . 11333 1 1038 . 1 1 94 94 LYS HD2 H 1 1.825 0.030 . 1 . . . . 94 LYS HD2 . 11333 1 1039 . 1 1 94 94 LYS HD3 H 1 1.825 0.030 . 1 . . . . 94 LYS HD3 . 11333 1 1040 . 1 1 94 94 LYS HE2 H 1 3.096 0.030 . 1 . . . . 94 LYS HE2 . 11333 1 1041 . 1 1 94 94 LYS HE3 H 1 3.096 0.030 . 1 . . . . 94 LYS HE3 . 11333 1 1042 . 1 1 94 94 LYS HG2 H 1 1.478 0.030 . 2 . . . . 94 LYS HG2 . 11333 1 1043 . 1 1 94 94 LYS HG3 H 1 1.601 0.030 . 2 . . . . 94 LYS HG3 . 11333 1 1044 . 1 1 94 94 LYS C C 13 175.781 0.300 . 1 . . . . 94 LYS C . 11333 1 1045 . 1 1 94 94 LYS CA C 13 56.558 0.300 . 1 . . . . 94 LYS CA . 11333 1 1046 . 1 1 94 94 LYS CB C 13 33.732 0.300 . 1 . . . . 94 LYS CB . 11333 1 1047 . 1 1 94 94 LYS CD C 13 29.285 0.300 . 1 . . . . 94 LYS CD . 11333 1 1048 . 1 1 94 94 LYS CE C 13 42.188 0.300 . 1 . . . . 94 LYS CE . 11333 1 1049 . 1 1 94 94 LYS CG C 13 24.476 0.300 . 1 . . . . 94 LYS CG . 11333 1 1050 . 1 1 94 94 LYS N N 15 120.733 0.300 . 1 . . . . 94 LYS N . 11333 1 1051 . 1 1 95 95 ASP H H 1 9.038 0.030 . 1 . . . . 95 ASP H . 11333 1 1052 . 1 1 95 95 ASP HA H 1 4.712 0.030 . 1 . . . . 95 ASP HA . 11333 1 1053 . 1 1 95 95 ASP HB2 H 1 2.964 0.030 . 2 . . . . 95 ASP HB2 . 11333 1 1054 . 1 1 95 95 ASP HB3 H 1 2.610 0.030 . 2 . . . . 95 ASP HB3 . 11333 1 1055 . 1 1 95 95 ASP CA C 13 55.789 0.300 . 1 . . . . 95 ASP CA . 11333 1 1056 . 1 1 95 95 ASP CB C 13 41.015 0.300 . 1 . . . . 95 ASP CB . 11333 1 1057 . 1 1 95 95 ASP N N 15 121.268 0.300 . 1 . . . . 95 ASP N . 11333 1 1058 . 1 1 96 96 LYS H H 1 9.427 0.030 . 1 . . . . 96 LYS H . 11333 1 1059 . 1 1 96 96 LYS HA H 1 4.459 0.030 . 1 . . . . 96 LYS HA . 11333 1 1060 . 1 1 96 96 LYS HB2 H 1 1.128 0.030 . 2 . . . . 96 LYS HB2 . 11333 1 1061 . 1 1 96 96 LYS HB3 H 1 2.104 0.030 . 2 . . . . 96 LYS HB3 . 11333 1 1062 . 1 1 96 96 LYS HD2 H 1 1.611 0.030 . 2 . . . . 96 LYS HD2 . 11333 1 1063 . 1 1 96 96 LYS HD3 H 1 1.713 0.030 . 2 . . . . 96 LYS HD3 . 11333 1 1064 . 1 1 96 96 LYS HE2 H 1 2.958 0.030 . 1 . . . . 96 LYS HE2 . 11333 1 1065 . 1 1 96 96 LYS HE3 H 1 2.958 0.030 . 1 . . . . 96 LYS HE3 . 11333 1 1066 . 1 1 96 96 LYS HG2 H 1 1.294 0.030 . 1 . . . . 96 LYS HG2 . 11333 1 1067 . 1 1 96 96 LYS HG3 H 1 1.294 0.030 . 1 . . . . 96 LYS HG3 . 11333 1 1068 . 1 1 96 96 LYS CA C 13 54.950 0.300 . 1 . . . . 96 LYS CA . 11333 1 1069 . 1 1 96 96 LYS CB C 13 33.345 0.300 . 1 . . . . 96 LYS CB . 11333 1 1070 . 1 1 96 96 LYS CD C 13 29.872 0.300 . 1 . . . . 96 LYS CD . 11333 1 1071 . 1 1 96 96 LYS CE C 13 42.579 0.300 . 1 . . . . 96 LYS CE . 11333 1 1072 . 1 1 96 96 LYS CG C 13 25.064 0.300 . 1 . . . . 96 LYS CG . 11333 1 1073 . 1 1 96 96 LYS N N 15 131.414 0.300 . 1 . . . . 96 LYS N . 11333 1 1074 . 1 1 97 97 ARG H H 1 9.020 0.030 . 1 . . . . 97 ARG H . 11333 1 1075 . 1 1 97 97 ARG HA H 1 4.122 0.030 . 1 . . . . 97 ARG HA . 11333 1 1076 . 1 1 97 97 ARG HB2 H 1 1.628 0.030 . 1 . . . . 97 ARG HB2 . 11333 1 1077 . 1 1 97 97 ARG HB3 H 1 1.628 0.030 . 1 . . . . 97 ARG HB3 . 11333 1 1078 . 1 1 97 97 ARG HD2 H 1 3.255 0.030 . 1 . . . . 97 ARG HD2 . 11333 1 1079 . 1 1 97 97 ARG HD3 H 1 3.255 0.030 . 1 . . . . 97 ARG HD3 . 11333 1 1080 . 1 1 97 97 ARG HG2 H 1 1.916 0.030 . 2 . . . . 97 ARG HG2 . 11333 1 1081 . 1 1 97 97 ARG HG3 H 1 2.036 0.030 . 2 . . . . 97 ARG HG3 . 11333 1 1082 . 1 1 97 97 ARG C C 13 176.877 0.300 . 1 . . . . 97 ARG C . 11333 1 1083 . 1 1 97 97 ARG CA C 13 56.579 0.300 . 1 . . . . 97 ARG CA . 11333 1 1084 . 1 1 97 97 ARG CB C 13 26.646 0.300 . 1 . . . . 97 ARG CB . 11333 1 1085 . 1 1 97 97 ARG CD C 13 43.362 0.300 . 1 . . . . 97 ARG CD . 11333 1 1086 . 1 1 97 97 ARG CG C 13 26.495 0.300 . 1 . . . . 97 ARG CG . 11333 1 1087 . 1 1 97 97 ARG N N 15 115.119 0.300 . 1 . . . . 97 ARG N . 11333 1 1088 . 1 1 98 98 GLN H H 1 9.301 0.030 . 1 . . . . 98 GLN H . 11333 1 1089 . 1 1 98 98 GLN HA H 1 4.432 0.030 . 1 . . . . 98 GLN HA . 11333 1 1090 . 1 1 98 98 GLN HB2 H 1 0.164 0.030 . 2 . . . . 98 GLN HB2 . 11333 1 1091 . 1 1 98 98 GLN HB3 H 1 1.079 0.030 . 2 . . . . 98 GLN HB3 . 11333 1 1092 . 1 1 98 98 GLN HE21 H 1 8.398 0.030 . 2 . . . . 98 GLN HE21 . 11333 1 1093 . 1 1 98 98 GLN HE22 H 1 7.815 0.030 . 2 . . . . 98 GLN HE22 . 11333 1 1094 . 1 1 98 98 GLN HG2 H 1 2.019 0.030 . 2 . . . . 98 GLN HG2 . 11333 1 1095 . 1 1 98 98 GLN HG3 H 1 1.771 0.030 . 2 . . . . 98 GLN HG3 . 11333 1 1096 . 1 1 98 98 GLN C C 13 175.005 0.300 . 1 . . . . 98 GLN C . 11333 1 1097 . 1 1 98 98 GLN CA C 13 57.648 0.300 . 1 . . . . 98 GLN CA . 11333 1 1098 . 1 1 98 98 GLN CB C 13 27.419 0.300 . 1 . . . . 98 GLN CB . 11333 1 1099 . 1 1 98 98 GLN CG C 13 34.098 0.300 . 1 . . . . 98 GLN CG . 11333 1 1100 . 1 1 98 98 GLN N N 15 117.914 0.300 . 1 . . . . 98 GLN N . 11333 1 1101 . 1 1 98 98 GLN NE2 N 15 112.783 0.300 . 1 . . . . 98 GLN NE2 . 11333 1 1102 . 1 1 99 99 TYR H H 1 8.385 0.030 . 1 . . . . 99 TYR H . 11333 1 1103 . 1 1 99 99 TYR HA H 1 4.917 0.030 . 1 . . . . 99 TYR HA . 11333 1 1104 . 1 1 99 99 TYR HB2 H 1 3.101 0.030 . 2 . . . . 99 TYR HB2 . 11333 1 1105 . 1 1 99 99 TYR HB3 H 1 2.940 0.030 . 2 . . . . 99 TYR HB3 . 11333 1 1106 . 1 1 99 99 TYR HD1 H 1 6.727 0.030 . 1 . . . . 99 TYR HD1 . 11333 1 1107 . 1 1 99 99 TYR HD2 H 1 6.727 0.030 . 1 . . . . 99 TYR HD2 . 11333 1 1108 . 1 1 99 99 TYR HE1 H 1 6.414 0.030 . 1 . . . . 99 TYR HE1 . 11333 1 1109 . 1 1 99 99 TYR HE2 H 1 6.414 0.030 . 1 . . . . 99 TYR HE2 . 11333 1 1110 . 1 1 99 99 TYR C C 13 171.413 0.300 . 1 . . . . 99 TYR C . 11333 1 1111 . 1 1 99 99 TYR CA C 13 56.035 0.300 . 1 . . . . 99 TYR CA . 11333 1 1112 . 1 1 99 99 TYR CB C 13 41.217 0.300 . 1 . . . . 99 TYR CB . 11333 1 1113 . 1 1 99 99 TYR CD1 C 13 133.119 0.300 . 1 . . . . 99 TYR CD1 . 11333 1 1114 . 1 1 99 99 TYR CD2 C 13 133.119 0.300 . 1 . . . . 99 TYR CD2 . 11333 1 1115 . 1 1 99 99 TYR CE1 C 13 117.698 0.300 . 1 . . . . 99 TYR CE1 . 11333 1 1116 . 1 1 99 99 TYR CE2 C 13 117.698 0.300 . 1 . . . . 99 TYR CE2 . 11333 1 1117 . 1 1 99 99 TYR N N 15 115.113 0.300 . 1 . . . . 99 TYR N . 11333 1 1118 . 1 1 100 100 HIS H H 1 8.868 0.030 . 1 . . . . 100 HIS H . 11333 1 1119 . 1 1 100 100 HIS HA H 1 4.500 0.030 . 1 . . . . 100 HIS HA . 11333 1 1120 . 1 1 100 100 HIS HB2 H 1 3.070 0.030 . 2 . . . . 100 HIS HB2 . 11333 1 1121 . 1 1 100 100 HIS HB3 H 1 3.218 0.030 . 2 . . . . 100 HIS HB3 . 11333 1 1122 . 1 1 100 100 HIS HD2 H 1 6.464 0.030 . 1 . . . . 100 HIS HD2 . 11333 1 1123 . 1 1 100 100 HIS HE1 H 1 7.652 0.030 . 1 . . . . 100 HIS HE1 . 11333 1 1124 . 1 1 100 100 HIS C C 13 174.965 0.300 . 1 . . . . 100 HIS C . 11333 1 1125 . 1 1 100 100 HIS CA C 13 56.242 0.300 . 1 . . . . 100 HIS CA . 11333 1 1126 . 1 1 100 100 HIS CB C 13 31.294 0.300 . 1 . . . . 100 HIS CB . 11333 1 1127 . 1 1 100 100 HIS CD2 C 13 118.441 0.300 . 1 . . . . 100 HIS CD2 . 11333 1 1128 . 1 1 100 100 HIS CE1 C 13 139.443 0.300 . 1 . . . . 100 HIS CE1 . 11333 1 1129 . 1 1 100 100 HIS N N 15 120.717 0.300 . 1 . . . . 100 HIS N . 11333 1 1130 . 1 1 101 101 CYS H H 1 7.436 0.030 . 1 . . . . 101 CYS H . 11333 1 1131 . 1 1 101 101 CYS HA H 1 4.546 0.030 . 1 . . . . 101 CYS HA . 11333 1 1132 . 1 1 101 101 CYS HB2 H 1 2.824 0.030 . 2 . . . . 101 CYS HB2 . 11333 1 1133 . 1 1 101 101 CYS HB3 H 1 2.714 0.030 . 2 . . . . 101 CYS HB3 . 11333 1 1134 . 1 1 101 101 CYS C C 13 175.716 0.300 . 1 . . . . 101 CYS C . 11333 1 1135 . 1 1 101 101 CYS CA C 13 57.749 0.300 . 1 . . . . 101 CYS CA . 11333 1 1136 . 1 1 101 101 CYS CB C 13 29.244 0.300 . 1 . . . . 101 CYS CB . 11333 1 1137 . 1 1 101 101 CYS N N 15 131.309 0.300 . 1 . . . . 101 CYS N . 11333 1 1138 . 1 1 102 102 GLU H H 1 9.418 0.030 . 1 . . . . 102 GLU H . 11333 1 1139 . 1 1 102 102 GLU HA H 1 3.991 0.030 . 1 . . . . 102 GLU HA . 11333 1 1140 . 1 1 102 102 GLU HB2 H 1 2.090 0.030 . 1 . . . . 102 GLU HB2 . 11333 1 1141 . 1 1 102 102 GLU HB3 H 1 2.090 0.030 . 1 . . . . 102 GLU HB3 . 11333 1 1142 . 1 1 102 102 GLU HG2 H 1 2.284 0.030 . 2 . . . . 102 GLU HG2 . 11333 1 1143 . 1 1 102 102 GLU HG3 H 1 2.380 0.030 . 2 . . . . 102 GLU HG3 . 11333 1 1144 . 1 1 102 102 GLU C C 13 177.153 0.300 . 1 . . . . 102 GLU C . 11333 1 1145 . 1 1 102 102 GLU CA C 13 59.283 0.300 . 1 . . . . 102 GLU CA . 11333 1 1146 . 1 1 102 102 GLU CB C 13 29.398 0.300 . 1 . . . . 102 GLU CB . 11333 1 1147 . 1 1 102 102 GLU CG C 13 36.529 0.300 . 1 . . . . 102 GLU CG . 11333 1 1148 . 1 1 102 102 GLU N N 15 129.668 0.300 . 1 . . . . 102 GLU N . 11333 1 1149 . 1 1 103 103 SER H H 1 7.827 0.030 . 1 . . . . 103 SER H . 11333 1 1150 . 1 1 103 103 SER HA H 1 4.176 0.030 . 1 . . . . 103 SER HA . 11333 1 1151 . 1 1 103 103 SER HB2 H 1 2.995 0.030 . 2 . . . . 103 SER HB2 . 11333 1 1152 . 1 1 103 103 SER HB3 H 1 1.861 0.030 . 2 . . . . 103 SER HB3 . 11333 1 1153 . 1 1 103 103 SER C C 13 175.603 0.300 . 1 . . . . 103 SER C . 11333 1 1154 . 1 1 103 103 SER CA C 13 61.659 0.300 . 1 . . . . 103 SER CA . 11333 1 1155 . 1 1 103 103 SER CB C 13 61.532 0.300 . 1 . . . . 103 SER CB . 11333 1 1156 . 1 1 103 103 SER N N 15 116.937 0.300 . 1 . . . . 103 SER N . 11333 1 1157 . 1 1 104 104 CYS H H 1 9.352 0.030 . 1 . . . . 104 CYS H . 11333 1 1158 . 1 1 104 104 CYS HA H 1 4.086 0.030 . 1 . . . . 104 CYS HA . 11333 1 1159 . 1 1 104 104 CYS HB2 H 1 2.959 0.030 . 2 . . . . 104 CYS HB2 . 11333 1 1160 . 1 1 104 104 CYS HB3 H 1 2.697 0.030 . 2 . . . . 104 CYS HB3 . 11333 1 1161 . 1 1 104 104 CYS C C 13 176.846 0.300 . 1 . . . . 104 CYS C . 11333 1 1162 . 1 1 104 104 CYS CA C 13 64.451 0.300 . 1 . . . . 104 CYS CA . 11333 1 1163 . 1 1 104 104 CYS CB C 13 30.458 0.300 . 1 . . . . 104 CYS CB . 11333 1 1164 . 1 1 104 104 CYS N N 15 126.673 0.300 . 1 . . . . 104 CYS N . 11333 1 1165 . 1 1 105 105 GLY H H 1 8.132 0.030 . 1 . . . . 105 GLY H . 11333 1 1166 . 1 1 105 105 GLY HA2 H 1 3.959 0.030 . 2 . . . . 105 GLY HA2 . 11333 1 1167 . 1 1 105 105 GLY HA3 H 1 3.500 0.030 . 2 . . . . 105 GLY HA3 . 11333 1 1168 . 1 1 105 105 GLY C C 13 172.555 0.300 . 1 . . . . 105 GLY C . 11333 1 1169 . 1 1 105 105 GLY CA C 13 45.103 0.300 . 1 . . . . 105 GLY CA . 11333 1 1170 . 1 1 105 105 GLY N N 15 106.145 0.300 . 1 . . . . 105 GLY N . 11333 1 1171 . 1 1 106 106 ILE H H 1 6.439 0.030 . 1 . . . . 106 ILE H . 11333 1 1172 . 1 1 106 106 ILE HA H 1 4.846 0.030 . 1 . . . . 106 ILE HA . 11333 1 1173 . 1 1 106 106 ILE HB H 1 1.802 0.030 . 1 . . . . 106 ILE HB . 11333 1 1174 . 1 1 106 106 ILE HD11 H 1 0.772 0.030 . 1 . . . . 106 ILE HD1 . 11333 1 1175 . 1 1 106 106 ILE HD12 H 1 0.772 0.030 . 1 . . . . 106 ILE HD1 . 11333 1 1176 . 1 1 106 106 ILE HD13 H 1 0.772 0.030 . 1 . . . . 106 ILE HD1 . 11333 1 1177 . 1 1 106 106 ILE HG12 H 1 1.021 0.030 . 2 . . . . 106 ILE HG12 . 11333 1 1178 . 1 1 106 106 ILE HG13 H 1 0.771 0.030 . 2 . . . . 106 ILE HG13 . 11333 1 1179 . 1 1 106 106 ILE HG21 H 1 0.961 0.030 . 1 . . . . 106 ILE HG2 . 11333 1 1180 . 1 1 106 106 ILE HG22 H 1 0.961 0.030 . 1 . . . . 106 ILE HG2 . 11333 1 1181 . 1 1 106 106 ILE HG23 H 1 0.961 0.030 . 1 . . . . 106 ILE HG2 . 11333 1 1182 . 1 1 106 106 ILE C C 13 174.952 0.300 . 1 . . . . 106 ILE C . 11333 1 1183 . 1 1 106 106 ILE CA C 13 58.718 0.300 . 1 . . . . 106 ILE CA . 11333 1 1184 . 1 1 106 106 ILE CB C 13 44.530 0.300 . 1 . . . . 106 ILE CB . 11333 1 1185 . 1 1 106 106 ILE CD1 C 13 13.736 0.300 . 1 . . . . 106 ILE CD1 . 11333 1 1186 . 1 1 106 106 ILE CG1 C 13 25.766 0.300 . 1 . . . . 106 ILE CG1 . 11333 1 1187 . 1 1 106 106 ILE CG2 C 13 19.075 0.300 . 1 . . . . 106 ILE CG2 . 11333 1 1188 . 1 1 106 106 ILE N N 15 107.705 0.300 . 1 . . . . 106 ILE N . 11333 1 1189 . 1 1 107 107 CYS H H 1 7.017 0.030 . 1 . . . . 107 CYS H . 11333 1 1190 . 1 1 107 107 CYS HA H 1 4.978 0.030 . 1 . . . . 107 CYS HA . 11333 1 1191 . 1 1 107 107 CYS HB2 H 1 2.618 0.030 . 2 . . . . 107 CYS HB2 . 11333 1 1192 . 1 1 107 107 CYS HB3 H 1 2.355 0.030 . 2 . . . . 107 CYS HB3 . 11333 1 1193 . 1 1 107 107 CYS C C 13 175.468 0.300 . 1 . . . . 107 CYS C . 11333 1 1194 . 1 1 107 107 CYS CA C 13 62.298 0.300 . 1 . . . . 107 CYS CA . 11333 1 1195 . 1 1 107 107 CYS CB C 13 31.075 0.300 . 1 . . . . 107 CYS CB . 11333 1 1196 . 1 1 107 107 CYS N N 15 122.333 0.300 . 1 . . . . 107 CYS N . 11333 1 1197 . 1 1 108 108 ARG H H 1 8.572 0.030 . 1 . . . . 108 ARG H . 11333 1 1198 . 1 1 108 108 ARG HA H 1 4.209 0.030 . 1 . . . . 108 ARG HA . 11333 1 1199 . 1 1 108 108 ARG HB2 H 1 1.446 0.030 . 2 . . . . 108 ARG HB2 . 11333 1 1200 . 1 1 108 108 ARG HB3 H 1 0.564 0.030 . 2 . . . . 108 ARG HB3 . 11333 1 1201 . 1 1 108 108 ARG HD2 H 1 2.933 0.030 . 2 . . . . 108 ARG HD2 . 11333 1 1202 . 1 1 108 108 ARG HD3 H 1 2.999 0.030 . 2 . . . . 108 ARG HD3 . 11333 1 1203 . 1 1 108 108 ARG HG2 H 1 1.136 0.030 . 1 . . . . 108 ARG HG2 . 11333 1 1204 . 1 1 108 108 ARG HG3 H 1 1.136 0.030 . 1 . . . . 108 ARG HG3 . 11333 1 1205 . 1 1 108 108 ARG C C 13 174.326 0.300 . 1 . . . . 108 ARG C . 11333 1 1206 . 1 1 108 108 ARG CA C 13 53.204 0.300 . 1 . . . . 108 ARG CA . 11333 1 1207 . 1 1 108 108 ARG CB C 13 33.664 0.300 . 1 . . . . 108 ARG CB . 11333 1 1208 . 1 1 108 108 ARG CD C 13 43.379 0.300 . 1 . . . . 108 ARG CD . 11333 1 1209 . 1 1 108 108 ARG CG C 13 26.966 0.300 . 1 . . . . 108 ARG CG . 11333 1 1210 . 1 1 108 108 ARG N N 15 121.054 0.300 . 1 . . . . 108 ARG N . 11333 1 1211 . 1 1 109 109 ILE H H 1 7.911 0.030 . 1 . . . . 109 ILE H . 11333 1 1212 . 1 1 109 109 ILE HA H 1 3.502 0.030 . 1 . . . . 109 ILE HA . 11333 1 1213 . 1 1 109 109 ILE HB H 1 1.864 0.030 . 1 . . . . 109 ILE HB . 11333 1 1214 . 1 1 109 109 ILE HD11 H 1 0.853 0.030 . 1 . . . . 109 ILE HD1 . 11333 1 1215 . 1 1 109 109 ILE HD12 H 1 0.853 0.030 . 1 . . . . 109 ILE HD1 . 11333 1 1216 . 1 1 109 109 ILE HD13 H 1 0.853 0.030 . 1 . . . . 109 ILE HD1 . 11333 1 1217 . 1 1 109 109 ILE HG12 H 1 1.547 0.030 . 2 . . . . 109 ILE HG12 . 11333 1 1218 . 1 1 109 109 ILE HG13 H 1 1.261 0.030 . 2 . . . . 109 ILE HG13 . 11333 1 1219 . 1 1 109 109 ILE HG21 H 1 1.098 0.030 . 1 . . . . 109 ILE HG2 . 11333 1 1220 . 1 1 109 109 ILE HG22 H 1 1.098 0.030 . 1 . . . . 109 ILE HG2 . 11333 1 1221 . 1 1 109 109 ILE HG23 H 1 1.098 0.030 . 1 . . . . 109 ILE HG2 . 11333 1 1222 . 1 1 109 109 ILE C C 13 175.517 0.300 . 1 . . . . 109 ILE C . 11333 1 1223 . 1 1 109 109 ILE CA C 13 62.513 0.300 . 1 . . . . 109 ILE CA . 11333 1 1224 . 1 1 109 109 ILE CB C 13 37.203 0.300 . 1 . . . . 109 ILE CB . 11333 1 1225 . 1 1 109 109 ILE CD1 C 13 12.396 0.300 . 1 . . . . 109 ILE CD1 . 11333 1 1226 . 1 1 109 109 ILE CG1 C 13 27.821 0.300 . 1 . . . . 109 ILE CG1 . 11333 1 1227 . 1 1 109 109 ILE CG2 C 13 17.549 0.300 . 1 . . . . 109 ILE CG2 . 11333 1 1228 . 1 1 109 109 ILE N N 15 119.051 0.300 . 1 . . . . 109 ILE N . 11333 1 1229 . 1 1 110 110 GLY H H 1 6.940 0.030 . 1 . . . . 110 GLY H . 11333 1 1230 . 1 1 110 110 GLY HA2 H 1 4.120 0.030 . 2 . . . . 110 GLY HA2 . 11333 1 1231 . 1 1 110 110 GLY HA3 H 1 4.462 0.030 . 2 . . . . 110 GLY HA3 . 11333 1 1232 . 1 1 110 110 GLY C C 13 174.972 0.300 . 1 . . . . 110 GLY C . 11333 1 1233 . 1 1 110 110 GLY CA C 13 43.361 0.300 . 1 . . . . 110 GLY CA . 11333 1 1234 . 1 1 110 110 GLY N N 15 113.108 0.300 . 1 . . . . 110 GLY N . 11333 1 1235 . 1 1 111 111 PRO HA H 1 4.952 0.030 . 1 . . . . 111 PRO HA . 11333 1 1236 . 1 1 111 111 PRO HB2 H 1 2.428 0.030 . 2 . . . . 111 PRO HB2 . 11333 1 1237 . 1 1 111 111 PRO HB3 H 1 2.358 0.030 . 2 . . . . 111 PRO HB3 . 11333 1 1238 . 1 1 111 111 PRO HD2 H 1 3.560 0.030 . 2 . . . . 111 PRO HD2 . 11333 1 1239 . 1 1 111 111 PRO HD3 H 1 3.814 0.030 . 2 . . . . 111 PRO HD3 . 11333 1 1240 . 1 1 111 111 PRO HG2 H 1 1.910 0.030 . 1 . . . . 111 PRO HG2 . 11333 1 1241 . 1 1 111 111 PRO HG3 H 1 1.910 0.030 . 1 . . . . 111 PRO HG3 . 11333 1 1242 . 1 1 111 111 PRO C C 13 177.286 0.300 . 1 . . . . 111 PRO C . 11333 1 1243 . 1 1 111 111 PRO CA C 13 63.054 0.300 . 1 . . . . 111 PRO CA . 11333 1 1244 . 1 1 111 111 PRO CB C 13 35.078 0.300 . 1 . . . . 111 PRO CB . 11333 1 1245 . 1 1 111 111 PRO CD C 13 50.870 0.300 . 1 . . . . 111 PRO CD . 11333 1 1246 . 1 1 111 111 PRO CG C 13 25.941 0.300 . 1 . . . . 111 PRO CG . 11333 1 1247 . 1 1 112 112 LYS H H 1 9.058 0.030 . 1 . . . . 112 LYS H . 11333 1 1248 . 1 1 112 112 LYS HA H 1 3.146 0.030 . 1 . . . . 112 LYS HA . 11333 1 1249 . 1 1 112 112 LYS HB2 H 1 1.390 0.030 . 2 . . . . 112 LYS HB2 . 11333 1 1250 . 1 1 112 112 LYS HB3 H 1 1.322 0.030 . 2 . . . . 112 LYS HB3 . 11333 1 1251 . 1 1 112 112 LYS HD2 H 1 1.452 0.030 . 2 . . . . 112 LYS HD2 . 11333 1 1252 . 1 1 112 112 LYS HD3 H 1 1.531 0.030 . 2 . . . . 112 LYS HD3 . 11333 1 1253 . 1 1 112 112 LYS HE2 H 1 2.918 0.030 . 2 . . . . 112 LYS HE2 . 11333 1 1254 . 1 1 112 112 LYS HE3 H 1 2.974 0.030 . 2 . . . . 112 LYS HE3 . 11333 1 1255 . 1 1 112 112 LYS HG2 H 1 1.190 0.030 . 2 . . . . 112 LYS HG2 . 11333 1 1256 . 1 1 112 112 LYS HG3 H 1 0.684 0.030 . 2 . . . . 112 LYS HG3 . 11333 1 1257 . 1 1 112 112 LYS C C 13 177.648 0.300 . 1 . . . . 112 LYS C . 11333 1 1258 . 1 1 112 112 LYS CA C 13 60.048 0.300 . 1 . . . . 112 LYS CA . 11333 1 1259 . 1 1 112 112 LYS CB C 13 32.172 0.300 . 1 . . . . 112 LYS CB . 11333 1 1260 . 1 1 112 112 LYS CD C 13 29.578 0.300 . 1 . . . . 112 LYS CD . 11333 1 1261 . 1 1 112 112 LYS CE C 13 42.188 0.300 . 1 . . . . 112 LYS CE . 11333 1 1262 . 1 1 112 112 LYS CG C 13 24.077 0.300 . 1 . . . . 112 LYS CG . 11333 1 1263 . 1 1 112 112 LYS N N 15 123.491 0.300 . 1 . . . . 112 LYS N . 11333 1 1264 . 1 1 113 113 GLU H H 1 9.148 0.030 . 1 . . . . 113 GLU H . 11333 1 1265 . 1 1 113 113 GLU HA H 1 4.165 0.030 . 1 . . . . 113 GLU HA . 11333 1 1266 . 1 1 113 113 GLU HB2 H 1 2.067 0.030 . 1 . . . . 113 GLU HB2 . 11333 1 1267 . 1 1 113 113 GLU HB3 H 1 2.067 0.030 . 1 . . . . 113 GLU HB3 . 11333 1 1268 . 1 1 113 113 GLU HG2 H 1 2.403 0.030 . 2 . . . . 113 GLU HG2 . 11333 1 1269 . 1 1 113 113 GLU HG3 H 1 2.305 0.030 . 2 . . . . 113 GLU HG3 . 11333 1 1270 . 1 1 113 113 GLU C C 13 176.892 0.300 . 1 . . . . 113 GLU C . 11333 1 1271 . 1 1 113 113 GLU CA C 13 59.016 0.300 . 1 . . . . 113 GLU CA . 11333 1 1272 . 1 1 113 113 GLU CB C 13 28.395 0.300 . 1 . . . . 113 GLU CB . 11333 1 1273 . 1 1 113 113 GLU CG C 13 36.505 0.300 . 1 . . . . 113 GLU CG . 11333 1 1274 . 1 1 113 113 GLU N N 15 115.085 0.300 . 1 . . . . 113 GLU N . 11333 1 1275 . 1 1 114 114 ASP H H 1 7.816 0.030 . 1 . . . . 114 ASP H . 11333 1 1276 . 1 1 114 114 ASP HA H 1 4.581 0.030 . 1 . . . . 114 ASP HA . 11333 1 1277 . 1 1 114 114 ASP HB2 H 1 2.412 0.030 . 2 . . . . 114 ASP HB2 . 11333 1 1278 . 1 1 114 114 ASP HB3 H 1 2.648 0.030 . 2 . . . . 114 ASP HB3 . 11333 1 1279 . 1 1 114 114 ASP C C 13 177.542 0.300 . 1 . . . . 114 ASP C . 11333 1 1280 . 1 1 114 114 ASP CA C 13 54.935 0.300 . 1 . . . . 114 ASP CA . 11333 1 1281 . 1 1 114 114 ASP CB C 13 40.852 0.300 . 1 . . . . 114 ASP CB . 11333 1 1282 . 1 1 114 114 ASP N N 15 120.105 0.300 . 1 . . . . 114 ASP N . 11333 1 1283 . 1 1 115 115 PHE H H 1 8.024 0.030 . 1 . . . . 115 PHE H . 11333 1 1284 . 1 1 115 115 PHE HA H 1 5.338 0.030 . 1 . . . . 115 PHE HA . 11333 1 1285 . 1 1 115 115 PHE HB2 H 1 2.837 0.030 . 2 . . . . 115 PHE HB2 . 11333 1 1286 . 1 1 115 115 PHE HB3 H 1 2.761 0.030 . 2 . . . . 115 PHE HB3 . 11333 1 1287 . 1 1 115 115 PHE HD1 H 1 7.054 0.030 . 1 . . . . 115 PHE HD1 . 11333 1 1288 . 1 1 115 115 PHE HD2 H 1 7.054 0.030 . 1 . . . . 115 PHE HD2 . 11333 1 1289 . 1 1 115 115 PHE HE1 H 1 7.268 0.030 . 1 . . . . 115 PHE HE1 . 11333 1 1290 . 1 1 115 115 PHE HE2 H 1 7.268 0.030 . 1 . . . . 115 PHE HE2 . 11333 1 1291 . 1 1 115 115 PHE HZ H 1 7.324 0.030 . 1 . . . . 115 PHE HZ . 11333 1 1292 . 1 1 115 115 PHE C C 13 174.355 0.300 . 1 . . . . 115 PHE C . 11333 1 1293 . 1 1 115 115 PHE CA C 13 57.675 0.300 . 1 . . . . 115 PHE CA . 11333 1 1294 . 1 1 115 115 PHE CB C 13 45.002 0.300 . 1 . . . . 115 PHE CB . 11333 1 1295 . 1 1 115 115 PHE CD1 C 13 131.830 0.300 . 1 . . . . 115 PHE CD1 . 11333 1 1296 . 1 1 115 115 PHE CD2 C 13 131.830 0.300 . 1 . . . . 115 PHE CD2 . 11333 1 1297 . 1 1 115 115 PHE CE1 C 13 131.804 0.300 . 1 . . . . 115 PHE CE1 . 11333 1 1298 . 1 1 115 115 PHE CE2 C 13 131.804 0.300 . 1 . . . . 115 PHE CE2 . 11333 1 1299 . 1 1 115 115 PHE CZ C 13 129.924 0.300 . 1 . . . . 115 PHE CZ . 11333 1 1300 . 1 1 115 115 PHE N N 15 119.513 0.300 . 1 . . . . 115 PHE N . 11333 1 1301 . 1 1 116 116 PHE H H 1 9.534 0.030 . 1 . . . . 116 PHE H . 11333 1 1302 . 1 1 116 116 PHE HA H 1 5.009 0.030 . 1 . . . . 116 PHE HA . 11333 1 1303 . 1 1 116 116 PHE HB2 H 1 2.994 0.030 . 2 . . . . 116 PHE HB2 . 11333 1 1304 . 1 1 116 116 PHE HB3 H 1 3.102 0.030 . 2 . . . . 116 PHE HB3 . 11333 1 1305 . 1 1 116 116 PHE HD1 H 1 7.001 0.030 . 1 . . . . 116 PHE HD1 . 11333 1 1306 . 1 1 116 116 PHE HD2 H 1 7.001 0.030 . 1 . . . . 116 PHE HD2 . 11333 1 1307 . 1 1 116 116 PHE HE1 H 1 7.188 0.030 . 1 . . . . 116 PHE HE1 . 11333 1 1308 . 1 1 116 116 PHE HE2 H 1 7.188 0.030 . 1 . . . . 116 PHE HE2 . 11333 1 1309 . 1 1 116 116 PHE HZ H 1 6.868 0.030 . 1 . . . . 116 PHE HZ . 11333 1 1310 . 1 1 116 116 PHE C C 13 171.299 0.300 . 1 . . . . 116 PHE C . 11333 1 1311 . 1 1 116 116 PHE CA C 13 55.609 0.300 . 1 . . . . 116 PHE CA . 11333 1 1312 . 1 1 116 116 PHE CB C 13 42.312 0.300 . 1 . . . . 116 PHE CB . 11333 1 1313 . 1 1 116 116 PHE CD1 C 13 132.186 0.300 . 1 . . . . 116 PHE CD1 . 11333 1 1314 . 1 1 116 116 PHE CD2 C 13 132.186 0.300 . 1 . . . . 116 PHE CD2 . 11333 1 1315 . 1 1 116 116 PHE CE1 C 13 131.005 0.300 . 1 . . . . 116 PHE CE1 . 11333 1 1316 . 1 1 116 116 PHE CE2 C 13 131.005 0.300 . 1 . . . . 116 PHE CE2 . 11333 1 1317 . 1 1 116 116 PHE CZ C 13 128.404 0.300 . 1 . . . . 116 PHE CZ . 11333 1 1318 . 1 1 116 116 PHE N N 15 118.394 0.300 . 1 . . . . 116 PHE N . 11333 1 1319 . 1 1 117 117 HIS H H 1 8.844 0.030 . 1 . . . . 117 HIS H . 11333 1 1320 . 1 1 117 117 HIS HA H 1 4.745 0.030 . 1 . . . . 117 HIS HA . 11333 1 1321 . 1 1 117 117 HIS HB2 H 1 3.073 0.030 . 1 . . . . 117 HIS HB2 . 11333 1 1322 . 1 1 117 117 HIS HB3 H 1 3.073 0.030 . 1 . . . . 117 HIS HB3 . 11333 1 1323 . 1 1 117 117 HIS HD2 H 1 6.467 0.030 . 1 . . . . 117 HIS HD2 . 11333 1 1324 . 1 1 117 117 HIS HE1 H 1 7.899 0.030 . 1 . . . . 117 HIS HE1 . 11333 1 1325 . 1 1 117 117 HIS C C 13 174.857 0.300 . 1 . . . . 117 HIS C . 11333 1 1326 . 1 1 117 117 HIS CA C 13 55.700 0.300 . 1 . . . . 117 HIS CA . 11333 1 1327 . 1 1 117 117 HIS CB C 13 30.886 0.300 . 1 . . . . 117 HIS CB . 11333 1 1328 . 1 1 117 117 HIS CD2 C 13 118.140 0.300 . 1 . . . . 117 HIS CD2 . 11333 1 1329 . 1 1 117 117 HIS CE1 C 13 140.327 0.300 . 1 . . . . 117 HIS CE1 . 11333 1 1330 . 1 1 117 117 HIS N N 15 121.264 0.300 . 1 . . . . 117 HIS N . 11333 1 1331 . 1 1 118 118 CYS H H 1 8.097 0.030 . 1 . . . . 118 CYS H . 11333 1 1332 . 1 1 118 118 CYS HA H 1 4.458 0.030 . 1 . . . . 118 CYS HA . 11333 1 1333 . 1 1 118 118 CYS HB2 H 1 2.544 0.030 . 2 . . . . 118 CYS HB2 . 11333 1 1334 . 1 1 118 118 CYS HB3 H 1 2.870 0.030 . 2 . . . . 118 CYS HB3 . 11333 1 1335 . 1 1 118 118 CYS C C 13 176.514 0.300 . 1 . . . . 118 CYS C . 11333 1 1336 . 1 1 118 118 CYS CA C 13 58.904 0.300 . 1 . . . . 118 CYS CA . 11333 1 1337 . 1 1 118 118 CYS CB C 13 29.757 0.300 . 1 . . . . 118 CYS CB . 11333 1 1338 . 1 1 118 118 CYS N N 15 131.887 0.300 . 1 . . . . 118 CYS N . 11333 1 1339 . 1 1 119 119 LEU H H 1 8.948 0.030 . 1 . . . . 119 LEU H . 11333 1 1340 . 1 1 119 119 LEU HA H 1 4.261 0.030 . 1 . . . . 119 LEU HA . 11333 1 1341 . 1 1 119 119 LEU HB2 H 1 1.905 0.030 . 2 . . . . 119 LEU HB2 . 11333 1 1342 . 1 1 119 119 LEU HB3 H 1 1.748 0.030 . 2 . . . . 119 LEU HB3 . 11333 1 1343 . 1 1 119 119 LEU HD11 H 1 1.080 0.030 . 1 . . . . 119 LEU HD1 . 11333 1 1344 . 1 1 119 119 LEU HD12 H 1 1.080 0.030 . 1 . . . . 119 LEU HD1 . 11333 1 1345 . 1 1 119 119 LEU HD13 H 1 1.080 0.030 . 1 . . . . 119 LEU HD1 . 11333 1 1346 . 1 1 119 119 LEU HD21 H 1 1.030 0.030 . 1 . . . . 119 LEU HD2 . 11333 1 1347 . 1 1 119 119 LEU HD22 H 1 1.030 0.030 . 1 . . . . 119 LEU HD2 . 11333 1 1348 . 1 1 119 119 LEU HD23 H 1 1.030 0.030 . 1 . . . . 119 LEU HD2 . 11333 1 1349 . 1 1 119 119 LEU HG H 1 1.913 0.030 . 1 . . . . 119 LEU HG . 11333 1 1350 . 1 1 119 119 LEU C C 13 176.488 0.300 . 1 . . . . 119 LEU C . 11333 1 1351 . 1 1 119 119 LEU CA C 13 57.565 0.300 . 1 . . . . 119 LEU CA . 11333 1 1352 . 1 1 119 119 LEU CB C 13 42.259 0.300 . 1 . . . . 119 LEU CB . 11333 1 1353 . 1 1 119 119 LEU CD1 C 13 25.209 0.300 . 2 . . . . 119 LEU CD1 . 11333 1 1354 . 1 1 119 119 LEU CD2 C 13 23.618 0.300 . 2 . . . . 119 LEU CD2 . 11333 1 1355 . 1 1 119 119 LEU CG C 13 27.466 0.300 . 1 . . . . 119 LEU CG . 11333 1 1356 . 1 1 119 119 LEU N N 15 130.634 0.300 . 1 . . . . 119 LEU N . 11333 1 1357 . 1 1 120 120 LYS H H 1 8.394 0.030 . 1 . . . . 120 LYS H . 11333 1 1358 . 1 1 120 120 LYS HA H 1 4.266 0.030 . 1 . . . . 120 LYS HA . 11333 1 1359 . 1 1 120 120 LYS HB2 H 1 2.120 0.030 . 1 . . . . 120 LYS HB2 . 11333 1 1360 . 1 1 120 120 LYS HB3 H 1 2.120 0.030 . 1 . . . . 120 LYS HB3 . 11333 1 1361 . 1 1 120 120 LYS HD2 H 1 1.749 0.030 . 1 . . . . 120 LYS HD2 . 11333 1 1362 . 1 1 120 120 LYS HD3 H 1 1.749 0.030 . 1 . . . . 120 LYS HD3 . 11333 1 1363 . 1 1 120 120 LYS HE2 H 1 3.021 0.030 . 1 . . . . 120 LYS HE2 . 11333 1 1364 . 1 1 120 120 LYS HE3 H 1 3.021 0.030 . 1 . . . . 120 LYS HE3 . 11333 1 1365 . 1 1 120 120 LYS HG2 H 1 1.525 0.030 . 2 . . . . 120 LYS HG2 . 11333 1 1366 . 1 1 120 120 LYS HG3 H 1 1.462 0.030 . 2 . . . . 120 LYS HG3 . 11333 1 1367 . 1 1 120 120 LYS CA C 13 58.904 0.300 . 1 . . . . 120 LYS CA . 11333 1 1368 . 1 1 120 120 LYS CB C 13 32.971 0.300 . 1 . . . . 120 LYS CB . 11333 1 1369 . 1 1 120 120 LYS CD C 13 28.987 0.300 . 1 . . . . 120 LYS CD . 11333 1 1370 . 1 1 120 120 LYS CE C 13 42.481 0.300 . 1 . . . . 120 LYS CE . 11333 1 1371 . 1 1 120 120 LYS CG C 13 25.562 0.300 . 1 . . . . 120 LYS CG . 11333 1 1372 . 1 1 121 121 CYS HA H 1 4.294 0.030 . 1 . . . . 121 CYS HA . 11333 1 1373 . 1 1 121 121 CYS HB2 H 1 3.030 0.030 . 2 . . . . 121 CYS HB2 . 11333 1 1374 . 1 1 121 121 CYS HB3 H 1 2.814 0.030 . 2 . . . . 121 CYS HB3 . 11333 1 1375 . 1 1 121 121 CYS CA C 13 58.926 0.300 . 1 . . . . 121 CYS CA . 11333 1 1376 . 1 1 121 121 CYS CB C 13 30.458 0.300 . 1 . . . . 121 CYS CB . 11333 1 1377 . 1 1 122 122 ASN H H 1 8.008 0.030 . 1 . . . . 122 ASN H . 11333 1 1378 . 1 1 122 122 ASN HA H 1 4.362 0.030 . 1 . . . . 122 ASN HA . 11333 1 1379 . 1 1 122 122 ASN HB2 H 1 3.333 0.030 . 2 . . . . 122 ASN HB2 . 11333 1 1380 . 1 1 122 122 ASN HB3 H 1 2.486 0.030 . 2 . . . . 122 ASN HB3 . 11333 1 1381 . 1 1 122 122 ASN HD21 H 1 6.800 0.030 . 2 . . . . 122 ASN HD21 . 11333 1 1382 . 1 1 122 122 ASN HD22 H 1 7.553 0.030 . 2 . . . . 122 ASN HD22 . 11333 1 1383 . 1 1 122 122 ASN C C 13 172.612 0.300 . 1 . . . . 122 ASN C . 11333 1 1384 . 1 1 122 122 ASN CA C 13 53.613 0.300 . 1 . . . . 122 ASN CA . 11333 1 1385 . 1 1 122 122 ASN CB C 13 37.196 0.300 . 1 . . . . 122 ASN CB . 11333 1 1386 . 1 1 122 122 ASN ND2 N 15 111.651 0.300 . 1 . . . . 122 ASN ND2 . 11333 1 1387 . 1 1 123 123 LEU H H 1 6.572 0.030 . 1 . . . . 123 LEU H . 11333 1 1388 . 1 1 123 123 LEU HA H 1 4.535 0.030 . 1 . . . . 123 LEU HA . 11333 1 1389 . 1 1 123 123 LEU HB2 H 1 1.166 0.030 . 2 . . . . 123 LEU HB2 . 11333 1 1390 . 1 1 123 123 LEU HB3 H 1 1.257 0.030 . 2 . . . . 123 LEU HB3 . 11333 1 1391 . 1 1 123 123 LEU HD11 H 1 0.853 0.030 . 1 . . . . 123 LEU HD1 . 11333 1 1392 . 1 1 123 123 LEU HD12 H 1 0.853 0.030 . 1 . . . . 123 LEU HD1 . 11333 1 1393 . 1 1 123 123 LEU HD13 H 1 0.853 0.030 . 1 . . . . 123 LEU HD1 . 11333 1 1394 . 1 1 123 123 LEU HD21 H 1 0.800 0.030 . 1 . . . . 123 LEU HD2 . 11333 1 1395 . 1 1 123 123 LEU HD22 H 1 0.800 0.030 . 1 . . . . 123 LEU HD2 . 11333 1 1396 . 1 1 123 123 LEU HD23 H 1 0.800 0.030 . 1 . . . . 123 LEU HD2 . 11333 1 1397 . 1 1 123 123 LEU HG H 1 1.464 0.030 . 1 . . . . 123 LEU HG . 11333 1 1398 . 1 1 123 123 LEU C C 13 175.869 0.300 . 1 . . . . 123 LEU C . 11333 1 1399 . 1 1 123 123 LEU CA C 13 53.898 0.300 . 1 . . . . 123 LEU CA . 11333 1 1400 . 1 1 123 123 LEU CB C 13 46.448 0.300 . 1 . . . . 123 LEU CB . 11333 1 1401 . 1 1 123 123 LEU CD1 C 13 24.062 0.300 . 2 . . . . 123 LEU CD1 . 11333 1 1402 . 1 1 123 123 LEU CD2 C 13 25.462 0.300 . 2 . . . . 123 LEU CD2 . 11333 1 1403 . 1 1 123 123 LEU CG C 13 25.993 0.300 . 1 . . . . 123 LEU CG . 11333 1 1404 . 1 1 123 123 LEU N N 15 114.836 0.300 . 1 . . . . 123 LEU N . 11333 1 1405 . 1 1 124 124 CYS H H 1 6.402 0.030 . 1 . . . . 124 CYS H . 11333 1 1406 . 1 1 124 124 CYS HA H 1 5.024 0.030 . 1 . . . . 124 CYS HA . 11333 1 1407 . 1 1 124 124 CYS HB2 H 1 2.354 0.030 . 2 . . . . 124 CYS HB2 . 11333 1 1408 . 1 1 124 124 CYS HB3 H 1 2.416 0.030 . 2 . . . . 124 CYS HB3 . 11333 1 1409 . 1 1 124 124 CYS C C 13 174.870 0.300 . 1 . . . . 124 CYS C . 11333 1 1410 . 1 1 124 124 CYS CA C 13 62.148 0.300 . 1 . . . . 124 CYS CA . 11333 1 1411 . 1 1 124 124 CYS CB C 13 30.942 0.300 . 1 . . . . 124 CYS CB . 11333 1 1412 . 1 1 124 124 CYS N N 15 118.873 0.300 . 1 . . . . 124 CYS N . 11333 1 1413 . 1 1 125 125 LEU H H 1 8.799 0.030 . 1 . . . . 125 LEU H . 11333 1 1414 . 1 1 125 125 LEU HA H 1 4.726 0.030 . 1 . . . . 125 LEU HA . 11333 1 1415 . 1 1 125 125 LEU HB2 H 1 1.260 0.030 . 2 . . . . 125 LEU HB2 . 11333 1 1416 . 1 1 125 125 LEU HB3 H 1 0.942 0.030 . 2 . . . . 125 LEU HB3 . 11333 1 1417 . 1 1 125 125 LEU HD11 H 1 0.070 0.030 . 1 . . . . 125 LEU HD1 . 11333 1 1418 . 1 1 125 125 LEU HD12 H 1 0.070 0.030 . 1 . . . . 125 LEU HD1 . 11333 1 1419 . 1 1 125 125 LEU HD13 H 1 0.070 0.030 . 1 . . . . 125 LEU HD1 . 11333 1 1420 . 1 1 125 125 LEU HD21 H 1 0.571 0.030 . 1 . . . . 125 LEU HD2 . 11333 1 1421 . 1 1 125 125 LEU HD22 H 1 0.571 0.030 . 1 . . . . 125 LEU HD2 . 11333 1 1422 . 1 1 125 125 LEU HD23 H 1 0.571 0.030 . 1 . . . . 125 LEU HD2 . 11333 1 1423 . 1 1 125 125 LEU HG H 1 0.988 0.030 . 1 . . . . 125 LEU HG . 11333 1 1424 . 1 1 125 125 LEU C C 13 175.738 0.300 . 1 . . . . 125 LEU C . 11333 1 1425 . 1 1 125 125 LEU CA C 13 52.846 0.300 . 1 . . . . 125 LEU CA . 11333 1 1426 . 1 1 125 125 LEU CB C 13 46.222 0.300 . 1 . . . . 125 LEU CB . 11333 1 1427 . 1 1 125 125 LEU CD1 C 13 25.709 0.300 . 2 . . . . 125 LEU CD1 . 11333 1 1428 . 1 1 125 125 LEU CD2 C 13 23.653 0.300 . 2 . . . . 125 LEU CD2 . 11333 1 1429 . 1 1 125 125 LEU CG C 13 26.134 0.300 . 1 . . . . 125 LEU CG . 11333 1 1430 . 1 1 125 125 LEU N N 15 124.250 0.300 . 1 . . . . 125 LEU N . 11333 1 1431 . 1 1 126 126 THR H H 1 8.163 0.030 . 1 . . . . 126 THR H . 11333 1 1432 . 1 1 126 126 THR HA H 1 4.325 0.030 . 1 . . . . 126 THR HA . 11333 1 1433 . 1 1 126 126 THR HB H 1 4.343 0.030 . 1 . . . . 126 THR HB . 11333 1 1434 . 1 1 126 126 THR HG21 H 1 1.120 0.030 . 1 . . . . 126 THR HG2 . 11333 1 1435 . 1 1 126 126 THR HG22 H 1 1.120 0.030 . 1 . . . . 126 THR HG2 . 11333 1 1436 . 1 1 126 126 THR HG23 H 1 1.120 0.030 . 1 . . . . 126 THR HG2 . 11333 1 1437 . 1 1 126 126 THR C C 13 177.402 0.300 . 1 . . . . 126 THR C . 11333 1 1438 . 1 1 126 126 THR CA C 13 61.679 0.300 . 1 . . . . 126 THR CA . 11333 1 1439 . 1 1 126 126 THR CB C 13 68.719 0.300 . 1 . . . . 126 THR CB . 11333 1 1440 . 1 1 126 126 THR CG2 C 13 22.364 0.300 . 1 . . . . 126 THR CG2 . 11333 1 1441 . 1 1 126 126 THR N N 15 112.609 0.300 . 1 . . . . 126 THR N . 11333 1 1442 . 1 1 127 127 THR H H 1 8.050 0.030 . 1 . . . . 127 THR H . 11333 1 1443 . 1 1 127 127 THR HA H 1 3.984 0.030 . 1 . . . . 127 THR HA . 11333 1 1444 . 1 1 127 127 THR HB H 1 4.238 0.030 . 1 . . . . 127 THR HB . 11333 1 1445 . 1 1 127 127 THR HG21 H 1 1.170 0.030 . 1 . . . . 127 THR HG2 . 11333 1 1446 . 1 1 127 127 THR HG22 H 1 1.170 0.030 . 1 . . . . 127 THR HG2 . 11333 1 1447 . 1 1 127 127 THR HG23 H 1 1.170 0.030 . 1 . . . . 127 THR HG2 . 11333 1 1448 . 1 1 127 127 THR C C 13 176.988 0.300 . 1 . . . . 127 THR C . 11333 1 1449 . 1 1 127 127 THR CA C 13 65.532 0.300 . 1 . . . . 127 THR CA . 11333 1 1450 . 1 1 127 127 THR CB C 13 68.300 0.300 . 1 . . . . 127 THR CB . 11333 1 1451 . 1 1 127 127 THR CG2 C 13 23.173 0.300 . 1 . . . . 127 THR CG2 . 11333 1 1452 . 1 1 127 127 THR N N 15 114.458 0.300 . 1 . . . . 127 THR N . 11333 1 1453 . 1 1 128 128 ASN H H 1 8.468 0.030 . 1 . . . . 128 ASN H . 11333 1 1454 . 1 1 128 128 ASN HA H 1 4.510 0.030 . 1 . . . . 128 ASN HA . 11333 1 1455 . 1 1 128 128 ASN HB2 H 1 2.864 0.030 . 2 . . . . 128 ASN HB2 . 11333 1 1456 . 1 1 128 128 ASN HB3 H 1 2.828 0.030 . 2 . . . . 128 ASN HB3 . 11333 1 1457 . 1 1 128 128 ASN HD21 H 1 7.634 0.030 . 2 . . . . 128 ASN HD21 . 11333 1 1458 . 1 1 128 128 ASN HD22 H 1 7.048 0.030 . 2 . . . . 128 ASN HD22 . 11333 1 1459 . 1 1 128 128 ASN C C 13 175.971 0.300 . 1 . . . . 128 ASN C . 11333 1 1460 . 1 1 128 128 ASN CA C 13 55.385 0.300 . 1 . . . . 128 ASN CA . 11333 1 1461 . 1 1 128 128 ASN CB C 13 36.847 0.300 . 1 . . . . 128 ASN CB . 11333 1 1462 . 1 1 128 128 ASN N N 15 120.562 0.300 . 1 . . . . 128 ASN N . 11333 1 1463 . 1 1 128 128 ASN ND2 N 15 113.957 0.300 . 1 . . . . 128 ASN ND2 . 11333 1 1464 . 1 1 129 129 LEU H H 1 8.164 0.030 . 1 . . . . 129 LEU H . 11333 1 1465 . 1 1 129 129 LEU HA H 1 4.470 0.030 . 1 . . . . 129 LEU HA . 11333 1 1466 . 1 1 129 129 LEU HB2 H 1 1.625 0.030 . 2 . . . . 129 LEU HB2 . 11333 1 1467 . 1 1 129 129 LEU HB3 H 1 2.044 0.030 . 2 . . . . 129 LEU HB3 . 11333 1 1468 . 1 1 129 129 LEU HD11 H 1 0.983 0.030 . 1 . . . . 129 LEU HD1 . 11333 1 1469 . 1 1 129 129 LEU HD12 H 1 0.983 0.030 . 1 . . . . 129 LEU HD1 . 11333 1 1470 . 1 1 129 129 LEU HD13 H 1 0.983 0.030 . 1 . . . . 129 LEU HD1 . 11333 1 1471 . 1 1 129 129 LEU HD21 H 1 0.901 0.030 . 1 . . . . 129 LEU HD2 . 11333 1 1472 . 1 1 129 129 LEU HD22 H 1 0.901 0.030 . 1 . . . . 129 LEU HD2 . 11333 1 1473 . 1 1 129 129 LEU HD23 H 1 0.901 0.030 . 1 . . . . 129 LEU HD2 . 11333 1 1474 . 1 1 129 129 LEU HG H 1 1.631 0.030 . 1 . . . . 129 LEU HG . 11333 1 1475 . 1 1 129 129 LEU C C 13 179.031 0.300 . 1 . . . . 129 LEU C . 11333 1 1476 . 1 1 129 129 LEU CA C 13 54.749 0.300 . 1 . . . . 129 LEU CA . 11333 1 1477 . 1 1 129 129 LEU CB C 13 41.787 0.300 . 1 . . . . 129 LEU CB . 11333 1 1478 . 1 1 129 129 LEU CD1 C 13 26.067 0.300 . 2 . . . . 129 LEU CD1 . 11333 1 1479 . 1 1 129 129 LEU CD2 C 13 22.765 0.300 . 2 . . . . 129 LEU CD2 . 11333 1 1480 . 1 1 129 129 LEU CG C 13 27.152 0.300 . 1 . . . . 129 LEU CG . 11333 1 1481 . 1 1 129 129 LEU N N 15 118.067 0.300 . 1 . . . . 129 LEU N . 11333 1 1482 . 1 1 130 130 ARG H H 1 7.766 0.030 . 1 . . . . 130 ARG H . 11333 1 1483 . 1 1 130 130 ARG HA H 1 3.841 0.030 . 1 . . . . 130 ARG HA . 11333 1 1484 . 1 1 130 130 ARG HB2 H 1 1.636 0.030 . 2 . . . . 130 ARG HB2 . 11333 1 1485 . 1 1 130 130 ARG HB3 H 1 1.003 0.030 . 2 . . . . 130 ARG HB3 . 11333 1 1486 . 1 1 130 130 ARG HD2 H 1 2.729 0.030 . 2 . . . . 130 ARG HD2 . 11333 1 1487 . 1 1 130 130 ARG HD3 H 1 2.670 0.030 . 2 . . . . 130 ARG HD3 . 11333 1 1488 . 1 1 130 130 ARG HG2 H 1 1.098 0.030 . 2 . . . . 130 ARG HG2 . 11333 1 1489 . 1 1 130 130 ARG HG3 H 1 0.907 0.030 . 2 . . . . 130 ARG HG3 . 11333 1 1490 . 1 1 130 130 ARG C C 13 177.504 0.300 . 1 . . . . 130 ARG C . 11333 1 1491 . 1 1 130 130 ARG CA C 13 59.257 0.300 . 1 . . . . 130 ARG CA . 11333 1 1492 . 1 1 130 130 ARG CB C 13 29.658 0.300 . 1 . . . . 130 ARG CB . 11333 1 1493 . 1 1 130 130 ARG CD C 13 43.607 0.300 . 1 . . . . 130 ARG CD . 11333 1 1494 . 1 1 130 130 ARG CG C 13 26.422 0.300 . 1 . . . . 130 ARG CG . 11333 1 1495 . 1 1 130 130 ARG N N 15 126.390 0.300 . 1 . . . . 130 ARG N . 11333 1 1496 . 1 1 131 131 GLY HA2 H 1 4.045 0.030 . 2 . . . . 131 GLY HA2 . 11333 1 1497 . 1 1 131 131 GLY HA3 H 1 3.846 0.030 . 2 . . . . 131 GLY HA3 . 11333 1 1498 . 1 1 131 131 GLY C C 13 174.644 0.300 . 1 . . . . 131 GLY C . 11333 1 1499 . 1 1 131 131 GLY CA C 13 46.072 0.300 . 1 . . . . 131 GLY CA . 11333 1 1500 . 1 1 132 132 LYS H H 1 7.716 0.030 . 1 . . . . 132 LYS H . 11333 1 1501 . 1 1 132 132 LYS HA H 1 4.590 0.030 . 1 . . . . 132 LYS HA . 11333 1 1502 . 1 1 132 132 LYS HB2 H 1 1.508 0.030 . 2 . . . . 132 LYS HB2 . 11333 1 1503 . 1 1 132 132 LYS HB3 H 1 2.069 0.030 . 2 . . . . 132 LYS HB3 . 11333 1 1504 . 1 1 132 132 LYS HD2 H 1 1.716 0.030 . 1 . . . . 132 LYS HD2 . 11333 1 1505 . 1 1 132 132 LYS HD3 H 1 1.716 0.030 . 1 . . . . 132 LYS HD3 . 11333 1 1506 . 1 1 132 132 LYS HE2 H 1 3.008 0.030 . 1 . . . . 132 LYS HE2 . 11333 1 1507 . 1 1 132 132 LYS HE3 H 1 3.008 0.030 . 1 . . . . 132 LYS HE3 . 11333 1 1508 . 1 1 132 132 LYS HG2 H 1 1.412 0.030 . 2 . . . . 132 LYS HG2 . 11333 1 1509 . 1 1 132 132 LYS HG3 H 1 1.329 0.030 . 2 . . . . 132 LYS HG3 . 11333 1 1510 . 1 1 132 132 LYS C C 13 175.363 0.300 . 1 . . . . 132 LYS C . 11333 1 1511 . 1 1 132 132 LYS CA C 13 55.477 0.300 . 1 . . . . 132 LYS CA . 11333 1 1512 . 1 1 132 132 LYS CB C 13 34.321 0.300 . 1 . . . . 132 LYS CB . 11333 1 1513 . 1 1 132 132 LYS CD C 13 29.214 0.300 . 1 . . . . 132 LYS CD . 11333 1 1514 . 1 1 132 132 LYS CE C 13 41.895 0.300 . 1 . . . . 132 LYS CE . 11333 1 1515 . 1 1 132 132 LYS CG C 13 24.886 0.300 . 1 . . . . 132 LYS CG . 11333 1 1516 . 1 1 132 132 LYS N N 15 118.939 0.300 . 1 . . . . 132 LYS N . 11333 1 1517 . 1 1 133 133 HIS H H 1 7.689 0.030 . 1 . . . . 133 HIS H . 11333 1 1518 . 1 1 133 133 HIS HA H 1 4.795 0.030 . 1 . . . . 133 HIS HA . 11333 1 1519 . 1 1 133 133 HIS HB2 H 1 3.239 0.030 . 2 . . . . 133 HIS HB2 . 11333 1 1520 . 1 1 133 133 HIS HB3 H 1 3.395 0.030 . 2 . . . . 133 HIS HB3 . 11333 1 1521 . 1 1 133 133 HIS HD2 H 1 6.865 0.030 . 1 . . . . 133 HIS HD2 . 11333 1 1522 . 1 1 133 133 HIS HE1 H 1 8.162 0.030 . 1 . . . . 133 HIS HE1 . 11333 1 1523 . 1 1 133 133 HIS CA C 13 55.932 0.300 . 1 . . . . 133 HIS CA . 11333 1 1524 . 1 1 133 133 HIS CB C 13 30.390 0.300 . 1 . . . . 133 HIS CB . 11333 1 1525 . 1 1 133 133 HIS CD2 C 13 128.406 0.300 . 1 . . . . 133 HIS CD2 . 11333 1 1526 . 1 1 133 133 HIS CE1 C 13 139.545 0.300 . 1 . . . . 133 HIS CE1 . 11333 1 1527 . 1 1 133 133 HIS N N 15 116.248 0.300 . 1 . . . . 133 HIS N . 11333 1 1528 . 1 1 134 134 LYS H H 1 8.674 0.030 . 1 . . . . 134 LYS H . 11333 1 1529 . 1 1 134 134 LYS HA H 1 4.314 0.030 . 1 . . . . 134 LYS HA . 11333 1 1530 . 1 1 134 134 LYS HB2 H 1 1.686 0.030 . 2 . . . . 134 LYS HB2 . 11333 1 1531 . 1 1 134 134 LYS HB3 H 1 1.779 0.030 . 2 . . . . 134 LYS HB3 . 11333 1 1532 . 1 1 134 134 LYS HD2 H 1 1.749 0.030 . 2 . . . . 134 LYS HD2 . 11333 1 1533 . 1 1 134 134 LYS HD3 H 1 1.665 0.030 . 2 . . . . 134 LYS HD3 . 11333 1 1534 . 1 1 134 134 LYS HE2 H 1 2.987 0.030 . 1 . . . . 134 LYS HE2 . 11333 1 1535 . 1 1 134 134 LYS HE3 H 1 2.987 0.030 . 1 . . . . 134 LYS HE3 . 11333 1 1536 . 1 1 134 134 LYS HG2 H 1 1.339 0.030 . 2 . . . . 134 LYS HG2 . 11333 1 1537 . 1 1 134 134 LYS HG3 H 1 1.418 0.030 . 2 . . . . 134 LYS HG3 . 11333 1 1538 . 1 1 134 134 LYS CA C 13 55.389 0.300 . 1 . . . . 134 LYS CA . 11333 1 1539 . 1 1 134 134 LYS CB C 13 32.604 0.300 . 1 . . . . 134 LYS CB . 11333 1 1540 . 1 1 134 134 LYS CD C 13 29.268 0.300 . 1 . . . . 134 LYS CD . 11333 1 1541 . 1 1 134 134 LYS CE C 13 42.078 0.300 . 1 . . . . 134 LYS CE . 11333 1 1542 . 1 1 134 134 LYS CG C 13 24.593 0.300 . 1 . . . . 134 LYS CG . 11333 1 1543 . 1 1 135 135 CYS H H 1 8.022 0.030 . 1 . . . . 135 CYS H . 11333 1 1544 . 1 1 135 135 CYS HA H 1 4.074 0.030 . 1 . . . . 135 CYS HA . 11333 1 1545 . 1 1 135 135 CYS HB2 H 1 2.380 0.030 . 2 . . . . 135 CYS HB2 . 11333 1 1546 . 1 1 135 135 CYS HB3 H 1 2.815 0.030 . 2 . . . . 135 CYS HB3 . 11333 1 1547 . 1 1 135 135 CYS C C 13 175.928 0.300 . 1 . . . . 135 CYS C . 11333 1 1548 . 1 1 135 135 CYS CA C 13 61.543 0.300 . 1 . . . . 135 CYS CA . 11333 1 1549 . 1 1 135 135 CYS CB C 13 30.458 0.300 . 1 . . . . 135 CYS CB . 11333 1 1550 . 1 1 135 135 CYS N N 15 126.820 0.300 . 1 . . . . 135 CYS N . 11333 1 1551 . 1 1 136 136 ILE H H 1 8.123 0.030 . 1 . . . . 136 ILE H . 11333 1 1552 . 1 1 136 136 ILE HA H 1 4.078 0.030 . 1 . . . . 136 ILE HA . 11333 1 1553 . 1 1 136 136 ILE HB H 1 1.878 0.030 . 1 . . . . 136 ILE HB . 11333 1 1554 . 1 1 136 136 ILE HD11 H 1 0.919 0.030 . 1 . . . . 136 ILE HD1 . 11333 1 1555 . 1 1 136 136 ILE HD12 H 1 0.919 0.030 . 1 . . . . 136 ILE HD1 . 11333 1 1556 . 1 1 136 136 ILE HD13 H 1 0.919 0.030 . 1 . . . . 136 ILE HD1 . 11333 1 1557 . 1 1 136 136 ILE HG12 H 1 1.265 0.030 . 2 . . . . 136 ILE HG12 . 11333 1 1558 . 1 1 136 136 ILE HG13 H 1 1.562 0.030 . 2 . . . . 136 ILE HG13 . 11333 1 1559 . 1 1 136 136 ILE HG21 H 1 0.954 0.030 . 1 . . . . 136 ILE HG2 . 11333 1 1560 . 1 1 136 136 ILE HG22 H 1 0.954 0.030 . 1 . . . . 136 ILE HG2 . 11333 1 1561 . 1 1 136 136 ILE HG23 H 1 0.954 0.030 . 1 . . . . 136 ILE HG2 . 11333 1 1562 . 1 1 136 136 ILE C C 13 175.769 0.300 . 1 . . . . 136 ILE C . 11333 1 1563 . 1 1 136 136 ILE CA C 13 61.361 0.300 . 1 . . . . 136 ILE CA . 11333 1 1564 . 1 1 136 136 ILE CB C 13 39.022 0.300 . 1 . . . . 136 ILE CB . 11333 1 1565 . 1 1 136 136 ILE CD1 C 13 13.160 0.300 . 1 . . . . 136 ILE CD1 . 11333 1 1566 . 1 1 136 136 ILE CG1 C 13 27.385 0.300 . 1 . . . . 136 ILE CG1 . 11333 1 1567 . 1 1 136 136 ILE CG2 C 13 17.798 0.300 . 1 . . . . 136 ILE CG2 . 11333 1 1568 . 1 1 136 136 ILE N N 15 122.568 0.300 . 1 . . . . 136 ILE N . 11333 1 1569 . 1 1 137 137 GLU H H 1 8.400 0.030 . 1 . . . . 137 GLU H . 11333 1 1570 . 1 1 137 137 GLU HA H 1 4.367 0.030 . 1 . . . . 137 GLU HA . 11333 1 1571 . 1 1 137 137 GLU HB2 H 1 2.070 0.030 . 2 . . . . 137 GLU HB2 . 11333 1 1572 . 1 1 137 137 GLU HB3 H 1 1.903 0.030 . 2 . . . . 137 GLU HB3 . 11333 1 1573 . 1 1 137 137 GLU HG2 H 1 2.245 0.030 . 1 . . . . 137 GLU HG2 . 11333 1 1574 . 1 1 137 137 GLU HG3 H 1 2.245 0.030 . 1 . . . . 137 GLU HG3 . 11333 1 1575 . 1 1 137 137 GLU C C 13 176.438 0.300 . 1 . . . . 137 GLU C . 11333 1 1576 . 1 1 137 137 GLU CA C 13 56.260 0.300 . 1 . . . . 137 GLU CA . 11333 1 1577 . 1 1 137 137 GLU CB C 13 30.502 0.300 . 1 . . . . 137 GLU CB . 11333 1 1578 . 1 1 137 137 GLU CG C 13 36.210 0.300 . 1 . . . . 137 GLU CG . 11333 1 1579 . 1 1 137 137 GLU N N 15 124.589 0.300 . 1 . . . . 137 GLU N . 11333 1 1580 . 1 1 138 138 SER H H 1 8.386 0.030 . 1 . . . . 138 SER H . 11333 1 1581 . 1 1 138 138 SER HA H 1 4.511 0.030 . 1 . . . . 138 SER HA . 11333 1 1582 . 1 1 138 138 SER HB2 H 1 3.888 0.030 . 1 . . . . 138 SER HB2 . 11333 1 1583 . 1 1 138 138 SER HB3 H 1 3.888 0.030 . 1 . . . . 138 SER HB3 . 11333 1 1584 . 1 1 138 138 SER C C 13 174.601 0.300 . 1 . . . . 138 SER C . 11333 1 1585 . 1 1 138 138 SER CA C 13 58.323 0.300 . 1 . . . . 138 SER CA . 11333 1 1586 . 1 1 138 138 SER CB C 13 64.094 0.300 . 1 . . . . 138 SER CB . 11333 1 1587 . 1 1 138 138 SER N N 15 117.549 0.300 . 1 . . . . 138 SER N . 11333 1 1588 . 1 1 139 139 GLY H H 1 8.326 0.030 . 1 . . . . 139 GLY H . 11333 1 1589 . 1 1 139 139 GLY HA2 H 1 4.071 0.030 . 2 . . . . 139 GLY HA2 . 11333 1 1590 . 1 1 139 139 GLY HA3 H 1 4.220 0.030 . 2 . . . . 139 GLY HA3 . 11333 1 1591 . 1 1 139 139 GLY C C 13 171.811 0.300 . 1 . . . . 139 GLY C . 11333 1 1592 . 1 1 139 139 GLY CA C 13 44.642 0.300 . 1 . . . . 139 GLY CA . 11333 1 1593 . 1 1 139 139 GLY N N 15 110.850 0.300 . 1 . . . . 139 GLY N . 11333 1 1594 . 1 1 140 140 PRO HA H 1 4.464 0.030 . 1 . . . . 140 PRO HA . 11333 1 1595 . 1 1 140 140 PRO HB2 H 1 2.284 0.030 . 2 . . . . 140 PRO HB2 . 11333 1 1596 . 1 1 140 140 PRO HB3 H 1 1.942 0.030 . 2 . . . . 140 PRO HB3 . 11333 1 1597 . 1 1 140 140 PRO HD2 H 1 3.647 0.030 . 1 . . . . 140 PRO HD2 . 11333 1 1598 . 1 1 140 140 PRO HD3 H 1 3.647 0.030 . 1 . . . . 140 PRO HD3 . 11333 1 1599 . 1 1 140 140 PRO HG2 H 1 2.036 0.030 . 1 . . . . 140 PRO HG2 . 11333 1 1600 . 1 1 140 140 PRO HG3 H 1 2.036 0.030 . 1 . . . . 140 PRO HG3 . 11333 1 1601 . 1 1 140 140 PRO C C 13 177.452 0.300 . 1 . . . . 140 PRO C . 11333 1 1602 . 1 1 140 140 PRO CA C 13 63.308 0.300 . 1 . . . . 140 PRO CA . 11333 1 1603 . 1 1 140 140 PRO CB C 13 32.108 0.300 . 1 . . . . 140 PRO CB . 11333 1 1604 . 1 1 140 140 PRO CD C 13 49.811 0.300 . 1 . . . . 140 PRO CD . 11333 1 1605 . 1 1 140 140 PRO CG C 13 27.418 0.300 . 1 . . . . 140 PRO CG . 11333 1 1606 . 1 1 141 141 SER H H 1 8.514 0.030 . 1 . . . . 141 SER H . 11333 1 1607 . 1 1 141 141 SER HA H 1 4.251 0.030 . 1 . . . . 141 SER HA . 11333 1 1608 . 1 1 141 141 SER HB2 H 1 4.340 0.030 . 1 . . . . 141 SER HB2 . 11333 1 1609 . 1 1 141 141 SER HB3 H 1 4.340 0.030 . 1 . . . . 141 SER HB3 . 11333 1 1610 . 1 1 141 141 SER C C 13 173.995 0.300 . 1 . . . . 141 SER C . 11333 1 1611 . 1 1 141 141 SER CA C 13 58.391 0.300 . 1 . . . . 141 SER CA . 11333 1 1612 . 1 1 141 141 SER CB C 13 63.887 0.300 . 1 . . . . 141 SER CB . 11333 1 1613 . 1 1 141 141 SER N N 15 116.466 0.300 . 1 . . . . 141 SER N . 11333 1 stop_ save_