data_18049 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18049 _Entry.Title ; Low resolution structure of RNA-binding subunit of the TRAMP complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-10 _Entry.Accession_date 2012-01-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Peter Holub . . . 18049 2 Jana Lalakova . . . 18049 3 Hana Cerna . . . 18049 4 Marie Sarazova . . . 18049 5 Josef Pasulka . . . 18049 6 Kristyna Hrazdilova . . . 18049 7 Maria Arce . S. . 18049 8 Richard Stefl . . . 18049 9 Stepanka Vanacova . . . 18049 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18049 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID exosome . 18049 'RNA binding' . 18049 'RNA degradation' . 18049 'RNA surveillance' . 18049 TRAMP . 18049 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18049 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 240 18049 '15N chemical shifts' 89 18049 '1H chemical shifts' 431 18049 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 2 . . 2013-02-15 2011-11-10 update BMRB 'update entry citation' 18049 1 . . 2012-03-19 2011-11-10 original author 'original release' 18049 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LLI 'BMRB Entry Tracking System' 18049 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18049 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22402490 _Citation.Full_citation . _Citation.Title 'Air2p is critical for the assembly and RNA-binding of the TRAMP complex and the KOW domain of Mtr4p is crucial for exosome activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 40 _Citation.Journal_issue 12 _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 5679 _Citation.Page_last 5693 _Citation.Year 2012 _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 Peter Holub . . . 18049 1 2 Jana Lalakova . . . 18049 1 3 Hana Cerna . . . 18049 1 4 Josef Pasulka . . . 18049 1 5 Marie Sarazova . . . 18049 1 6 Kristyna Hrazdilova . . . 18049 1 7 'Maria Sanudo' Arce . . . 18049 1 8 Fruzsina Hobor . . . 18049 1 9 Richard Stefl . . . 18049 1 10 Stepanka Vanacova . . . 18049 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18049 _Assembly.ID 1 _Assembly.Name 'RNA-binding subunit of the TRAMP complex' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _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 'RNA-binding subunit of the TRAMP complex' 1 $RNA-binding_sub A . yes native no no . . . 18049 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 18049 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 18049 1 4 'ZINC ION_3' 2 $entity_ZN D . no native no no . . . 18049 1 5 'ZINC ION_4' 2 $entity_ZN E . no native no no . . . 18049 1 6 'ZINC ION_5' 2 $entity_ZN F . no native no no . . . 18049 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA-binding_sub _Entity.Sf_category entity _Entity.Sf_framecode RNA-binding_sub _Entity.Entry_ID 18049 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA-binding subunit of the TRAMP complex' _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 ; KEAAPKCNNCSQRGHLKKDC PHIICSYCGATDDHYSRHCP KAIQCSKCDEVGHYRSQCPH KWKKVQCTLCKSKKHSKERC PSIWRAYILVDDNEKAKPKV LPFHTIYCYNCGGKGHFGDD CKEK ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14263.607 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LLI . "Low Resolution Structure Of Rna-Binding Subunit Of The Tramp Complex" . . . . . 100.00 124 100.00 100.00 2.72e-83 . . . . 18049 1 2 no PDB 3NYB . "Structure And Function Of The Polymerase Core Of Tramp, A Rna Surveillance Complex" . . . . . 50.81 83 100.00 100.00 1.97e-37 . . . . 18049 1 3 no DBJ GAA22076 . "K7_Air2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 344 100.00 100.00 1.24e-85 . . . . 18049 1 4 no EMBL CAA91570 . "putative protein [Saccharomyces cerevisiae]" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 1 5 no EMBL CAA98749 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 1 6 no EMBL CAY78334 . "Air2p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 344 100.00 100.00 1.67e-85 . . . . 18049 1 7 no GB AHY74840 . "Air2p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 1 8 no GB AJP37581 . "Air2p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 1 9 no GB AJU57693 . "Air2p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 1 10 no GB AJU58396 . "Air2p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 1 11 no GB AJU59085 . "Air2p [Saccharomyces cerevisiae YJM195]" . . . . . 100.00 344 100.00 100.00 1.31e-85 . . . . 18049 1 12 no REF NP_010106 . "Air2p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 1 13 no SP Q12476 . "RecName: Full=Protein AIR2; AltName: Full=Arginine methyltransferase-interacting RING finger protein 2" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 1 14 no TPG DAA11687 . "TPA: Air2p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 344 100.00 100.00 1.36e-85 . . . . 18049 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 . LYS . 18049 1 2 . GLU . 18049 1 3 . ALA . 18049 1 4 . ALA . 18049 1 5 . PRO . 18049 1 6 . LYS . 18049 1 7 . CYS . 18049 1 8 . ASN . 18049 1 9 . ASN . 18049 1 10 . CYS . 18049 1 11 . SER . 18049 1 12 . GLN . 18049 1 13 . ARG . 18049 1 14 . GLY . 18049 1 15 . HIS . 18049 1 16 . LEU . 18049 1 17 . LYS . 18049 1 18 . LYS . 18049 1 19 . ASP . 18049 1 20 . CYS . 18049 1 21 . PRO . 18049 1 22 . HIS . 18049 1 23 . ILE . 18049 1 24 . ILE . 18049 1 25 . CYS . 18049 1 26 . SER . 18049 1 27 . TYR . 18049 1 28 . CYS . 18049 1 29 . GLY . 18049 1 30 . ALA . 18049 1 31 . THR . 18049 1 32 . ASP . 18049 1 33 . ASP . 18049 1 34 . HIS . 18049 1 35 . TYR . 18049 1 36 . SER . 18049 1 37 . ARG . 18049 1 38 . HIS . 18049 1 39 . CYS . 18049 1 40 . PRO . 18049 1 41 . LYS . 18049 1 42 . ALA . 18049 1 43 . ILE . 18049 1 44 . GLN . 18049 1 45 . CYS . 18049 1 46 . SER . 18049 1 47 . LYS . 18049 1 48 . CYS . 18049 1 49 . ASP . 18049 1 50 . GLU . 18049 1 51 . VAL . 18049 1 52 . GLY . 18049 1 53 . HIS . 18049 1 54 . TYR . 18049 1 55 . ARG . 18049 1 56 . SER . 18049 1 57 . GLN . 18049 1 58 . CYS . 18049 1 59 . PRO . 18049 1 60 . HIS . 18049 1 61 . LYS . 18049 1 62 . TRP . 18049 1 63 . LYS . 18049 1 64 . LYS . 18049 1 65 . VAL . 18049 1 66 . GLN . 18049 1 67 . CYS . 18049 1 68 . THR . 18049 1 69 . LEU . 18049 1 70 . CYS . 18049 1 71 . LYS . 18049 1 72 . SER . 18049 1 73 . LYS . 18049 1 74 . LYS . 18049 1 75 . HIS . 18049 1 76 . SER . 18049 1 77 . LYS . 18049 1 78 . GLU . 18049 1 79 . ARG . 18049 1 80 . CYS . 18049 1 81 . PRO . 18049 1 82 . SER . 18049 1 83 . ILE . 18049 1 84 . TRP . 18049 1 85 . ARG . 18049 1 86 . ALA . 18049 1 87 . TYR . 18049 1 88 . ILE . 18049 1 89 . LEU . 18049 1 90 . VAL . 18049 1 91 . ASP . 18049 1 92 . ASP . 18049 1 93 . ASN . 18049 1 94 . GLU . 18049 1 95 . LYS . 18049 1 96 . ALA . 18049 1 97 . LYS . 18049 1 98 . PRO . 18049 1 99 . LYS . 18049 1 100 . VAL . 18049 1 101 . LEU . 18049 1 102 . PRO . 18049 1 103 . PHE . 18049 1 104 . HIS . 18049 1 105 . THR . 18049 1 106 . ILE . 18049 1 107 . TYR . 18049 1 108 . CYS . 18049 1 109 . TYR . 18049 1 110 . ASN . 18049 1 111 . CYS . 18049 1 112 . GLY . 18049 1 113 . GLY . 18049 1 114 . LYS . 18049 1 115 . GLY . 18049 1 116 . HIS . 18049 1 117 . PHE . 18049 1 118 . GLY . 18049 1 119 . ASP . 18049 1 120 . ASP . 18049 1 121 . CYS . 18049 1 122 . LYS . 18049 1 123 . GLU . 18049 1 124 . LYS . 18049 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 . LYS 1 1 18049 1 . GLU 2 2 18049 1 . ALA 3 3 18049 1 . ALA 4 4 18049 1 . PRO 5 5 18049 1 . LYS 6 6 18049 1 . CYS 7 7 18049 1 . ASN 8 8 18049 1 . ASN 9 9 18049 1 . CYS 10 10 18049 1 . SER 11 11 18049 1 . GLN 12 12 18049 1 . ARG 13 13 18049 1 . GLY 14 14 18049 1 . HIS 15 15 18049 1 . LEU 16 16 18049 1 . LYS 17 17 18049 1 . LYS 18 18 18049 1 . ASP 19 19 18049 1 . CYS 20 20 18049 1 . PRO 21 21 18049 1 . HIS 22 22 18049 1 . ILE 23 23 18049 1 . ILE 24 24 18049 1 . CYS 25 25 18049 1 . SER 26 26 18049 1 . TYR 27 27 18049 1 . CYS 28 28 18049 1 . GLY 29 29 18049 1 . ALA 30 30 18049 1 . THR 31 31 18049 1 . ASP 32 32 18049 1 . ASP 33 33 18049 1 . HIS 34 34 18049 1 . TYR 35 35 18049 1 . SER 36 36 18049 1 . ARG 37 37 18049 1 . HIS 38 38 18049 1 . CYS 39 39 18049 1 . PRO 40 40 18049 1 . LYS 41 41 18049 1 . ALA 42 42 18049 1 . ILE 43 43 18049 1 . GLN 44 44 18049 1 . CYS 45 45 18049 1 . SER 46 46 18049 1 . LYS 47 47 18049 1 . CYS 48 48 18049 1 . ASP 49 49 18049 1 . GLU 50 50 18049 1 . VAL 51 51 18049 1 . GLY 52 52 18049 1 . HIS 53 53 18049 1 . TYR 54 54 18049 1 . ARG 55 55 18049 1 . SER 56 56 18049 1 . GLN 57 57 18049 1 . CYS 58 58 18049 1 . PRO 59 59 18049 1 . HIS 60 60 18049 1 . LYS 61 61 18049 1 . TRP 62 62 18049 1 . LYS 63 63 18049 1 . LYS 64 64 18049 1 . VAL 65 65 18049 1 . GLN 66 66 18049 1 . CYS 67 67 18049 1 . THR 68 68 18049 1 . LEU 69 69 18049 1 . CYS 70 70 18049 1 . LYS 71 71 18049 1 . SER 72 72 18049 1 . LYS 73 73 18049 1 . LYS 74 74 18049 1 . HIS 75 75 18049 1 . SER 76 76 18049 1 . LYS 77 77 18049 1 . GLU 78 78 18049 1 . ARG 79 79 18049 1 . CYS 80 80 18049 1 . PRO 81 81 18049 1 . SER 82 82 18049 1 . ILE 83 83 18049 1 . TRP 84 84 18049 1 . ARG 85 85 18049 1 . ALA 86 86 18049 1 . TYR 87 87 18049 1 . ILE 88 88 18049 1 . LEU 89 89 18049 1 . VAL 90 90 18049 1 . ASP 91 91 18049 1 . ASP 92 92 18049 1 . ASN 93 93 18049 1 . GLU 94 94 18049 1 . LYS 95 95 18049 1 . ALA 96 96 18049 1 . LYS 97 97 18049 1 . PRO 98 98 18049 1 . LYS 99 99 18049 1 . VAL 100 100 18049 1 . LEU 101 101 18049 1 . PRO 102 102 18049 1 . PHE 103 103 18049 1 . HIS 104 104 18049 1 . THR 105 105 18049 1 . ILE 106 106 18049 1 . TYR 107 107 18049 1 . CYS 108 108 18049 1 . TYR 109 109 18049 1 . ASN 110 110 18049 1 . CYS 111 111 18049 1 . GLY 112 112 18049 1 . GLY 113 113 18049 1 . LYS 114 114 18049 1 . GLY 115 115 18049 1 . HIS 116 116 18049 1 . PHE 117 117 18049 1 . GLY 118 118 18049 1 . ASP 119 119 18049 1 . ASP 120 120 18049 1 . CYS 121 121 18049 1 . LYS 122 122 18049 1 . GLU 123 123 18049 1 . LYS 124 124 18049 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18049 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18049 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18049 2 ZN 'Three letter code' 18049 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 18049 2 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 . ZN 1 1 18049 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18049 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 18049 _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 $RNA-binding_sub . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18049 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 18049 _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 $RNA-binding_sub . 'recombinant technology' 'Saccharomyces cerevisiae' . . . Saccharomyces cerevisiae . . . . . . . . . . . . . . . . pNOPPATA1L . . . . . . 18049 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 18049 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18049 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18049 ZN [Zn++] SMILES CACTVS 3.341 18049 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18049 ZN [Zn+2] SMILES ACDLabs 10.04 18049 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18049 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18049 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 18049 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18049 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18049 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18049 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA-binding_sub '[U-99% 13C; U-99% 15N]' . . 1 $RNA-binding_sub . . 100 . . uM . . . . 18049 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18049 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18049 1 4 'sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 18049 1 5 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 18049 1 6 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 18049 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18049 _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' 0.5 . M 18049 1 pH 8 . pH 18049 1 pressure 1 . atm 18049 1 temperature 293 . K 18049 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18049 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18049 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18049 1 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 18049 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18049 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18049 _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 . 600 . . . 18049 1 2 spectrometer_2 Bruker Avance . 900 . . . 18049 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 18049 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18049 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18049 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18049 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18049 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18049 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18049 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18049 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18049 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 na indirect 0.251449530 . . . . . . . . . 18049 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18049 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18049 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18049 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18049 1 2 '3D 1H-15N NOESY' . . . 18049 1 3 '3D 1H-13C NOESY aliphatic' . . . 18049 1 4 '3D HNCACB' . . . 18049 1 5 '3D CBCA(CO)NH' . . . 18049 1 6 '3D HNHA' . . . 18049 1 7 '3D HNCA' . . . 18049 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 3 3 ALA H H 1 8.182 0.020 . 1 . . . A 3 ALA H . 18049 1 2 . 1 1 3 3 ALA HA H 1 4.195 0.020 . 1 . . . A 3 ALA HA . 18049 1 3 . 1 1 3 3 ALA HB1 H 1 1.258 0.020 . . . . . A 3 ALA HB1 . 18049 1 4 . 1 1 3 3 ALA HB2 H 1 1.258 0.020 . . . . . A 3 ALA HB2 . 18049 1 5 . 1 1 3 3 ALA HB3 H 1 1.258 0.020 . . . . . A 3 ALA HB3 . 18049 1 6 . 1 1 3 3 ALA CA C 13 49.578 0.400 . 1 . . . A 3 ALA CA . 18049 1 7 . 1 1 3 3 ALA CB C 13 16.811 0.400 . 1 . . . A 3 ALA CB . 18049 1 8 . 1 1 3 3 ALA N N 15 125.353 0.400 . 1 . . . A 3 ALA N . 18049 1 9 . 1 1 4 4 ALA H H 1 8.151 0.020 . 1 . . . A 4 ALA H . 18049 1 10 . 1 1 4 4 ALA HA H 1 4.460 0.020 . 1 . . . A 4 ALA HA . 18049 1 11 . 1 1 4 4 ALA HB1 H 1 1.227 0.020 . . . . . A 4 ALA HB1 . 18049 1 12 . 1 1 4 4 ALA HB2 H 1 1.227 0.020 . . . . . A 4 ALA HB2 . 18049 1 13 . 1 1 4 4 ALA HB3 H 1 1.227 0.020 . . . . . A 4 ALA HB3 . 18049 1 14 . 1 1 4 4 ALA CA C 13 47.760 0.400 . 1 . . . A 4 ALA CA . 18049 1 15 . 1 1 4 4 ALA CB C 13 15.798 0.400 . 1 . . . A 4 ALA CB . 18049 1 16 . 1 1 4 4 ALA N N 15 124.707 0.400 . 1 . . . A 4 ALA N . 18049 1 17 . 1 1 5 5 PRO HA H 1 4.470 0.020 . 1 . . . A 5 PRO HA . 18049 1 18 . 1 1 5 5 PRO HB2 H 1 1.490 0.020 . 2 . . . A 5 PRO HB2 . 18049 1 19 . 1 1 5 5 PRO HB3 H 1 2.083 0.020 . 2 . . . A 5 PRO HB3 . 18049 1 20 . 1 1 5 5 PRO HG2 H 1 1.620 0.020 . 2 . . . A 5 PRO HG2 . 18049 1 21 . 1 1 5 5 PRO HG3 H 1 1.890 0.020 . 2 . . . A 5 PRO HG3 . 18049 1 22 . 1 1 5 5 PRO HD2 H 1 3.431 0.020 . 2 . . . A 5 PRO HD2 . 18049 1 23 . 1 1 5 5 PRO HD3 H 1 3.622 0.020 . 2 . . . A 5 PRO HD3 . 18049 1 24 . 1 1 5 5 PRO CA C 13 59.320 0.400 . 1 . . . A 5 PRO CA . 18049 1 25 . 1 1 5 5 PRO CB C 13 29.800 0.400 . 1 . . . A 5 PRO CB . 18049 1 26 . 1 1 5 5 PRO CG C 13 24.480 0.400 . 1 . . . A 5 PRO CG . 18049 1 27 . 1 1 5 5 PRO CD C 13 47.840 0.400 . 1 . . . A 5 PRO CD . 18049 1 28 . 1 1 6 6 LYS H H 1 8.230 0.020 . 1 . . . A 6 LYS H . 18049 1 29 . 1 1 6 6 LYS HA H 1 4.263 0.020 . 1 . . . A 6 LYS HA . 18049 1 30 . 1 1 6 6 LYS HB2 H 1 1.375 0.020 . 2 . . . A 6 LYS HB2 . 18049 1 31 . 1 1 6 6 LYS HB3 H 1 1.502 0.020 . 2 . . . A 6 LYS HB3 . 18049 1 32 . 1 1 6 6 LYS HG2 H 1 0.998 0.020 . 1 . . . A 6 LYS HG2 . 18049 1 33 . 1 1 6 6 LYS HG3 H 1 0.998 0.020 . 1 . . . A 6 LYS HG3 . 18049 1 34 . 1 1 6 6 LYS HD2 H 1 1.470 0.020 . 1 . . . A 6 LYS HD2 . 18049 1 35 . 1 1 6 6 LYS HD3 H 1 1.470 0.020 . 1 . . . A 6 LYS HD3 . 18049 1 36 . 1 1 6 6 LYS HE2 H 1 2.820 0.020 . 1 . . . A 6 LYS HE2 . 18049 1 37 . 1 1 6 6 LYS HE3 H 1 2.820 0.020 . 1 . . . A 6 LYS HE3 . 18049 1 38 . 1 1 6 6 LYS CA C 13 52.630 0.400 . 1 . . . A 6 LYS CA . 18049 1 39 . 1 1 6 6 LYS CB C 13 32.000 0.400 . 1 . . . A 6 LYS CB . 18049 1 40 . 1 1 6 6 LYS CG C 13 22.310 0.400 . 1 . . . A 6 LYS CG . 18049 1 41 . 1 1 6 6 LYS CD C 13 26.890 0.400 . 1 . . . A 6 LYS CD . 18049 1 42 . 1 1 6 6 LYS CE C 13 39.350 0.400 . 1 . . . A 6 LYS CE . 18049 1 43 . 1 1 6 6 LYS N N 15 121.400 0.400 . 1 . . . A 6 LYS N . 18049 1 44 . 1 1 7 7 CYS H H 1 8.354 0.020 . 1 . . . A 7 CYS H . 18049 1 45 . 1 1 7 7 CYS HA H 1 4.114 0.020 . 1 . . . A 7 CYS HA . 18049 1 46 . 1 1 7 7 CYS HB2 H 1 1.951 0.020 . 2 . . . A 7 CYS HB2 . 18049 1 47 . 1 1 7 7 CYS HB3 H 1 2.843 0.020 . 2 . . . A 7 CYS HB3 . 18049 1 48 . 1 1 7 7 CYS CA C 13 57.020 0.400 . 1 . . . A 7 CYS CA . 18049 1 49 . 1 1 7 7 CYS CB C 13 27.720 0.400 . 1 . . . A 7 CYS CB . 18049 1 50 . 1 1 7 7 CYS N N 15 128.995 0.400 . 1 . . . A 7 CYS N . 18049 1 51 . 1 1 8 8 ASN H H 1 8.659 0.020 . 1 . . . A 8 ASN H . 18049 1 52 . 1 1 8 8 ASN HA H 1 4.705 0.020 . 1 . . . A 8 ASN HA . 18049 1 53 . 1 1 8 8 ASN HB2 H 1 2.690 0.020 . 2 . . . A 8 ASN HB2 . 18049 1 54 . 1 1 8 8 ASN HB3 H 1 2.897 0.020 . 2 . . . A 8 ASN HB3 . 18049 1 55 . 1 1 8 8 ASN CA C 13 51.910 0.400 . 1 . . . A 8 ASN CA . 18049 1 56 . 1 1 8 8 ASN CB C 13 35.930 0.400 . 1 . . . A 8 ASN CB . 18049 1 57 . 1 1 8 8 ASN N N 15 127.325 0.400 . 1 . . . A 8 ASN N . 18049 1 58 . 1 1 9 9 ASN H H 1 9.861 0.020 . 1 . . . A 9 ASN H . 18049 1 59 . 1 1 9 9 ASN HA H 1 4.800 0.020 . 1 . . . A 9 ASN HA . 18049 1 60 . 1 1 9 9 ASN HB2 H 1 2.450 0.020 . 2 . . . A 9 ASN HB2 . 18049 1 61 . 1 1 9 9 ASN HB3 H 1 3.370 0.020 . 2 . . . A 9 ASN HB3 . 18049 1 62 . 1 1 9 9 ASN CA C 13 53.312 0.400 . 1 . . . A 9 ASN CA . 18049 1 63 . 1 1 9 9 ASN CB C 13 37.875 0.400 . 1 . . . A 9 ASN CB . 18049 1 64 . 1 1 9 9 ASN N N 15 122.394 0.400 . 1 . . . A 9 ASN N . 18049 1 65 . 1 1 10 10 CYS H H 1 8.814 0.020 . 1 . . . A 10 CYS H . 18049 1 66 . 1 1 10 10 CYS HA H 1 4.705 0.020 . 1 . . . A 10 CYS HA . 18049 1 67 . 1 1 10 10 CYS HB2 H 1 2.340 0.020 . 2 . . . A 10 CYS HB2 . 18049 1 68 . 1 1 10 10 CYS HB3 H 1 3.160 0.020 . 2 . . . A 10 CYS HB3 . 18049 1 69 . 1 1 10 10 CYS CA C 13 56.350 0.400 . 1 . . . A 10 CYS CA . 18049 1 70 . 1 1 10 10 CYS CB C 13 29.540 0.400 . 1 . . . A 10 CYS CB . 18049 1 71 . 1 1 10 10 CYS N N 15 117.508 0.400 . 1 . . . A 10 CYS N . 18049 1 72 . 1 1 11 11 SER H H 1 7.821 0.020 . 1 . . . A 11 SER H . 18049 1 73 . 1 1 11 11 SER HA H 1 4.150 0.020 . 1 . . . A 11 SER HA . 18049 1 74 . 1 1 11 11 SER HB2 H 1 3.939 0.020 . 2 . . . A 11 SER HB2 . 18049 1 75 . 1 1 11 11 SER HB3 H 1 4.116 0.020 . 2 . . . A 11 SER HB3 . 18049 1 76 . 1 1 11 11 SER CA C 13 58.769 0.400 . 1 . . . A 11 SER CA . 18049 1 77 . 1 1 11 11 SER CB C 13 59.635 0.400 . 1 . . . A 11 SER CB . 18049 1 78 . 1 1 11 11 SER N N 15 115.934 0.400 . 1 . . . A 11 SER N . 18049 1 79 . 1 1 12 12 GLN H H 1 8.311 0.020 . 1 . . . A 12 GLN H . 18049 1 80 . 1 1 12 12 GLN HA H 1 4.361 0.020 . 1 . . . A 12 GLN HA . 18049 1 81 . 1 1 12 12 GLN HB2 H 1 1.954 0.020 . 2 . . . A 12 GLN HB2 . 18049 1 82 . 1 1 12 12 GLN HB3 H 1 2.116 0.020 . 2 . . . A 12 GLN HB3 . 18049 1 83 . 1 1 12 12 GLN HG2 H 1 2.265 0.020 . 2 . . . A 12 GLN HG2 . 18049 1 84 . 1 1 12 12 GLN HG3 H 1 2.533 0.020 . 2 . . . A 12 GLN HG3 . 18049 1 85 . 1 1 12 12 GLN CA C 13 52.870 0.400 . 1 . . . A 12 GLN CA . 18049 1 86 . 1 1 12 12 GLN CB C 13 27.913 0.400 . 1 . . . A 12 GLN CB . 18049 1 87 . 1 1 12 12 GLN CG C 13 32.287 0.400 . 1 . . . A 12 GLN CG . 18049 1 88 . 1 1 12 12 GLN N N 15 120.325 0.400 . 1 . . . A 12 GLN N . 18049 1 89 . 1 1 13 13 ARG H H 1 8.430 0.020 . 1 . . . A 13 ARG H . 18049 1 90 . 1 1 13 13 ARG HA H 1 4.368 0.020 . 1 . . . A 13 ARG HA . 18049 1 91 . 1 1 13 13 ARG HB2 H 1 2.260 0.020 . 2 . . . A 13 ARG HB2 . 18049 1 92 . 1 1 13 13 ARG HB3 H 1 2.530 0.020 . 2 . . . A 13 ARG HB3 . 18049 1 93 . 1 1 13 13 ARG HG2 H 1 1.950 0.020 . 2 . . . A 13 ARG HG2 . 18049 1 94 . 1 1 13 13 ARG HG3 H 1 2.110 0.020 . 2 . . . A 13 ARG HG3 . 18049 1 95 . 1 1 13 13 ARG CA C 13 53.030 0.400 . 1 . . . A 13 ARG CA . 18049 1 96 . 1 1 13 13 ARG CB C 13 32.300 0.400 . 1 . . . A 13 ARG CB . 18049 1 97 . 1 1 13 13 ARG CG C 13 28.000 0.400 . 1 . . . A 13 ARG CG . 18049 1 98 . 1 1 13 13 ARG N N 15 118.657 0.400 . 1 . . . A 13 ARG N . 18049 1 99 . 1 1 14 14 GLY H H 1 8.706 0.020 . 1 . . . A 14 GLY H . 18049 1 100 . 1 1 14 14 GLY HA2 H 1 3.509 0.020 . 2 . . . A 14 GLY HA2 . 18049 1 101 . 1 1 14 14 GLY HA3 H 1 4.540 0.020 . 2 . . . A 14 GLY HA3 . 18049 1 102 . 1 1 14 14 GLY CA C 13 42.730 0.400 . 1 . . . A 14 GLY CA . 18049 1 103 . 1 1 14 14 GLY N N 15 107.015 0.400 . 1 . . . A 14 GLY N . 18049 1 104 . 1 1 15 15 HIS H H 1 6.998 0.020 . 1 . . . A 15 HIS H . 18049 1 105 . 1 1 15 15 HIS HA H 1 4.600 0.020 . 1 . . . A 15 HIS HA . 18049 1 106 . 1 1 15 15 HIS HB2 H 1 3.080 0.020 . 2 . . . A 15 HIS HB2 . 18049 1 107 . 1 1 15 15 HIS HB3 H 1 3.160 0.020 . 2 . . . A 15 HIS HB3 . 18049 1 108 . 1 1 15 15 HIS HD2 H 1 6.934 0.020 . 1 . . . A 15 HIS HD2 . 18049 1 109 . 1 1 15 15 HIS HE1 H 1 8.302 0.020 . 1 . . . A 15 HIS HE1 . 18049 1 110 . 1 1 15 15 HIS CA C 13 52.436 0.400 . 1 . . . A 15 HIS CA . 18049 1 111 . 1 1 15 15 HIS CB C 13 27.887 0.400 . 1 . . . A 15 HIS CB . 18049 1 112 . 1 1 15 15 HIS N N 15 113.397 0.400 . 1 . . . A 15 HIS N . 18049 1 113 . 1 1 16 16 LEU H H 1 8.614 0.020 . 1 . . . A 16 LEU H . 18049 1 114 . 1 1 16 16 LEU HA H 1 4.585 0.020 . 1 . . . A 16 LEU HA . 18049 1 115 . 1 1 16 16 LEU HB2 H 1 1.640 0.020 . 2 . . . A 16 LEU HB2 . 18049 1 116 . 1 1 16 16 LEU HB3 H 1 1.815 0.020 . 2 . . . A 16 LEU HB3 . 18049 1 117 . 1 1 16 16 LEU HD11 H 1 0.875 0.020 . . . . . A 16 LEU HD11 . 18049 1 118 . 1 1 16 16 LEU HD12 H 1 0.875 0.020 . . . . . A 16 LEU HD12 . 18049 1 119 . 1 1 16 16 LEU HD13 H 1 0.875 0.020 . . . . . A 16 LEU HD13 . 18049 1 120 . 1 1 16 16 LEU HD21 H 1 0.885 0.020 . . . . . A 16 LEU HD21 . 18049 1 121 . 1 1 16 16 LEU HD22 H 1 0.885 0.020 . . . . . A 16 LEU HD22 . 18049 1 122 . 1 1 16 16 LEU HD23 H 1 0.885 0.020 . . . . . A 16 LEU HD23 . 18049 1 123 . 1 1 16 16 LEU CA C 13 50.529 0.400 . 1 . . . A 16 LEU CA . 18049 1 124 . 1 1 16 16 LEU CB C 13 42.196 0.400 . 1 . . . A 16 LEU CB . 18049 1 125 . 1 1 16 16 LEU CD1 C 13 20.660 0.400 . 2 . . . A 16 LEU CD1 . 18049 1 126 . 1 1 16 16 LEU CD2 C 13 23.347 0.400 . 2 . . . A 16 LEU CD2 . 18049 1 127 . 1 1 16 16 LEU N N 15 117.239 0.400 . 1 . . . A 16 LEU N . 18049 1 128 . 1 1 17 17 LYS H H 1 8.681 0.020 . 1 . . . A 17 LYS H . 18049 1 129 . 1 1 17 17 LYS HA H 1 4.780 0.020 . 1 . . . A 17 LYS HA . 18049 1 130 . 1 1 17 17 LYS HB2 H 1 1.931 0.020 . 1 . . . A 17 LYS HB2 . 18049 1 131 . 1 1 17 17 LYS HG3 H 1 1.365 0.020 . 1 . . . A 17 LYS HG3 . 18049 1 132 . 1 1 17 17 LYS HD2 H 1 1.552 0.020 . 2 . . . A 17 LYS HD2 . 18049 1 133 . 1 1 17 17 LYS HD3 H 1 1.677 0.020 . 2 . . . A 17 LYS HD3 . 18049 1 134 . 1 1 17 17 LYS HE3 H 1 2.902 0.020 . 1 . . . A 17 LYS HE3 . 18049 1 135 . 1 1 17 17 LYS CA C 13 57.764 0.400 . 1 . . . A 17 LYS CA . 18049 1 136 . 1 1 17 17 LYS CB C 13 29.801 0.400 . 1 . . . A 17 LYS CB . 18049 1 137 . 1 1 17 17 LYS CG C 13 22.481 0.400 . 1 . . . A 17 LYS CG . 18049 1 138 . 1 1 17 17 LYS CD C 13 27.523 0.400 . 1 . . . A 17 LYS CD . 18049 1 139 . 1 1 17 17 LYS CE C 13 39.654 0.400 . 1 . . . A 17 LYS CE . 18049 1 140 . 1 1 17 17 LYS N N 15 122.561 0.400 . 1 . . . A 17 LYS N . 18049 1 141 . 1 1 18 18 LYS H H 1 8.320 0.020 . 1 . . . A 18 LYS H . 18049 1 142 . 1 1 18 18 LYS HA H 1 4.104 0.020 . 1 . . . A 18 LYS HA . 18049 1 143 . 1 1 18 18 LYS HB2 H 1 1.735 0.020 . 2 . . . A 18 LYS HB2 . 18049 1 144 . 1 1 18 18 LYS HB3 H 1 1.826 0.020 . 2 . . . A 18 LYS HB3 . 18049 1 145 . 1 1 18 18 LYS HG3 H 1 1.234 0.020 . 1 . . . A 18 LYS HG3 . 18049 1 146 . 1 1 18 18 LYS CA C 13 55.819 0.400 . 1 . . . A 18 LYS CA . 18049 1 147 . 1 1 18 18 LYS CB C 13 28.755 0.400 . 1 . . . A 18 LYS CB . 18049 1 148 . 1 1 18 18 LYS CG C 13 21.041 0.400 . 1 . . . A 18 LYS CG . 18049 1 149 . 1 1 18 18 LYS N N 15 117.626 0.400 . 1 . . . A 18 LYS N . 18049 1 150 . 1 1 19 19 ASP H H 1 7.770 0.020 . 1 . . . A 19 ASP H . 18049 1 151 . 1 1 19 19 ASP HA H 1 4.850 0.020 . 1 . . . A 19 ASP HA . 18049 1 152 . 1 1 19 19 ASP HB2 H 1 2.405 0.020 . 2 . . . A 19 ASP HB2 . 18049 1 153 . 1 1 19 19 ASP HB3 H 1 2.885 0.020 . 2 . . . A 19 ASP HB3 . 18049 1 154 . 1 1 19 19 ASP CA C 13 50.832 0.400 . 1 . . . A 19 ASP CA . 18049 1 155 . 1 1 19 19 ASP CB C 13 39.900 0.400 . 1 . . . A 19 ASP CB . 18049 1 156 . 1 1 19 19 ASP N N 15 118.071 0.400 . 1 . . . A 19 ASP N . 18049 1 157 . 1 1 20 20 CYS H H 1 7.275 0.020 . 1 . . . A 20 CYS H . 18049 1 158 . 1 1 20 20 CYS HA H 1 3.702 0.020 . 1 . . . A 20 CYS HA . 18049 1 159 . 1 1 20 20 CYS HB2 H 1 2.714 0.020 . 2 . . . A 20 CYS HB2 . 18049 1 160 . 1 1 20 20 CYS HB3 H 1 3.151 0.020 . 2 . . . A 20 CYS HB3 . 18049 1 161 . 1 1 20 20 CYS CA C 13 59.556 0.400 . 1 . . . A 20 CYS CA . 18049 1 162 . 1 1 20 20 CYS CB C 13 28.496 0.400 . 1 . . . A 20 CYS CB . 18049 1 163 . 1 1 20 20 CYS N N 15 123.265 0.400 . 1 . . . A 20 CYS N . 18049 1 164 . 1 1 21 21 PRO HD2 H 1 3.704 0.020 . 1 . . . A 21 PRO HD2 . 18049 1 165 . 1 1 21 21 PRO CA C 13 58.900 0.400 . 1 . . . A 21 PRO CA . 18049 1 166 . 1 1 21 21 PRO CB C 13 30.720 0.400 . 1 . . . A 21 PRO CB . 18049 1 167 . 1 1 22 22 HIS H H 1 7.882 0.020 . 1 . . . A 22 HIS H . 18049 1 168 . 1 1 22 22 HIS HE1 H 1 8.500 0.020 . 1 . . . A 22 HIS HE1 . 18049 1 169 . 1 1 22 22 HIS CA C 13 52.484 0.400 . 1 . . . A 22 HIS CA . 18049 1 170 . 1 1 22 22 HIS CB C 13 27.833 0.400 . 1 . . . A 22 HIS CB . 18049 1 171 . 1 1 22 22 HIS N N 15 121.576 0.400 . 1 . . . A 22 HIS N . 18049 1 172 . 1 1 23 23 ILE H H 1 8.660 0.020 . 1 . . . A 23 ILE H . 18049 1 173 . 1 1 23 23 ILE HA H 1 4.170 0.020 . 1 . . . A 23 ILE HA . 18049 1 174 . 1 1 23 23 ILE HB H 1 1.410 0.020 . 1 . . . A 23 ILE HB . 18049 1 175 . 1 1 23 23 ILE HG12 H 1 0.954 0.020 . 2 . . . A 23 ILE HG12 . 18049 1 176 . 1 1 23 23 ILE HG13 H 1 1.260 0.020 . 2 . . . A 23 ILE HG13 . 18049 1 177 . 1 1 23 23 ILE HG21 H 1 0.414 0.020 . . . . . A 23 ILE HG21 . 18049 1 178 . 1 1 23 23 ILE HG22 H 1 0.414 0.020 . . . . . A 23 ILE HG22 . 18049 1 179 . 1 1 23 23 ILE HG23 H 1 0.414 0.020 . . . . . A 23 ILE HG23 . 18049 1 180 . 1 1 23 23 ILE HD11 H 1 0.429 0.020 . . . . . A 23 ILE HD11 . 18049 1 181 . 1 1 23 23 ILE HD12 H 1 0.429 0.020 . . . . . A 23 ILE HD12 . 18049 1 182 . 1 1 23 23 ILE HD13 H 1 0.429 0.020 . . . . . A 23 ILE HD13 . 18049 1 183 . 1 1 23 23 ILE CA C 13 57.420 0.400 . 1 . . . A 23 ILE CA . 18049 1 184 . 1 1 23 23 ILE CB C 13 36.980 0.400 . 1 . . . A 23 ILE CB . 18049 1 185 . 1 1 23 23 ILE CG1 C 13 24.220 0.400 . 1 . . . A 23 ILE CG1 . 18049 1 186 . 1 1 23 23 ILE CG2 C 13 14.820 0.400 . 1 . . . A 23 ILE CG2 . 18049 1 187 . 1 1 23 23 ILE CD1 C 13 10.000 0.400 . 1 . . . A 23 ILE CD1 . 18049 1 188 . 1 1 23 23 ILE N N 15 117.100 0.400 . 1 . . . A 23 ILE N . 18049 1 189 . 1 1 24 24 ILE H H 1 8.486 0.020 . 1 . . . A 24 ILE H . 18049 1 190 . 1 1 24 24 ILE HA H 1 3.950 0.020 . 1 . . . A 24 ILE HA . 18049 1 191 . 1 1 24 24 ILE HB H 1 1.544 0.020 . 1 . . . A 24 ILE HB . 18049 1 192 . 1 1 24 24 ILE HG12 H 1 1.573 0.020 . 2 . . . A 24 ILE HG12 . 18049 1 193 . 1 1 24 24 ILE HG13 H 1 2.547 0.020 . 2 . . . A 24 ILE HG13 . 18049 1 194 . 1 1 24 24 ILE HG21 H 1 0.523 0.020 . . . . . A 24 ILE HG21 . 18049 1 195 . 1 1 24 24 ILE HG22 H 1 0.523 0.020 . . . . . A 24 ILE HG22 . 18049 1 196 . 1 1 24 24 ILE HG23 H 1 0.523 0.020 . . . . . A 24 ILE HG23 . 18049 1 197 . 1 1 24 24 ILE HD11 H 1 0.548 0.020 . . . . . A 24 ILE HD11 . 18049 1 198 . 1 1 24 24 ILE HD12 H 1 0.548 0.020 . . . . . A 24 ILE HD12 . 18049 1 199 . 1 1 24 24 ILE HD13 H 1 0.548 0.020 . . . . . A 24 ILE HD13 . 18049 1 200 . 1 1 24 24 ILE CA C 13 56.690 0.400 . 1 . . . A 24 ILE CA . 18049 1 201 . 1 1 24 24 ILE CB C 13 37.176 0.400 . 1 . . . A 24 ILE CB . 18049 1 202 . 1 1 24 24 ILE CG1 C 13 27.572 0.400 . 1 . . . A 24 ILE CG1 . 18049 1 203 . 1 1 24 24 ILE CG2 C 13 14.307 0.400 . 1 . . . A 24 ILE CG2 . 18049 1 204 . 1 1 24 24 ILE CD1 C 13 10.208 0.400 . 1 . . . A 24 ILE CD1 . 18049 1 205 . 1 1 24 24 ILE N N 15 126.524 0.400 . 1 . . . A 24 ILE N . 18049 1 206 . 1 1 25 25 CYS HB2 H 1 3.135 0.020 . 2 . . . A 25 CYS HB2 . 18049 1 207 . 1 1 25 25 CYS HB3 H 1 3.250 0.020 . 2 . . . A 25 CYS HB3 . 18049 1 208 . 1 1 25 25 CYS CA C 13 56.014 0.400 . 1 . . . A 25 CYS CA . 18049 1 209 . 1 1 25 25 CYS CB C 13 27.273 0.400 . 1 . . . A 25 CYS CB . 18049 1 210 . 1 1 26 26 SER H H 1 9.491 0.020 . 1 . . . A 26 SER H . 18049 1 211 . 1 1 26 26 SER HA H 1 4.050 0.020 . 1 . . . A 26 SER HA . 18049 1 212 . 1 1 26 26 SER HB2 H 1 3.551 0.020 . 2 . . . A 26 SER HB2 . 18049 1 213 . 1 1 26 26 SER HB3 H 1 3.637 0.020 . 2 . . . A 26 SER HB3 . 18049 1 214 . 1 1 26 26 SER CA C 13 58.170 0.400 . 1 . . . A 26 SER CA . 18049 1 215 . 1 1 26 26 SER CB C 13 60.523 0.400 . 1 . . . A 26 SER CB . 18049 1 216 . 1 1 26 26 SER N N 15 127.811 0.400 . 1 . . . A 26 SER N . 18049 1 217 . 1 1 27 27 TYR H H 1 9.389 0.020 . 1 . . . A 27 TYR H . 18049 1 218 . 1 1 27 27 TYR HA H 1 4.525 0.020 . 1 . . . A 27 TYR HA . 18049 1 219 . 1 1 27 27 TYR HB2 H 1 2.955 0.020 . 2 . . . A 27 TYR HB2 . 18049 1 220 . 1 1 27 27 TYR HB3 H 1 3.403 0.020 . 2 . . . A 27 TYR HB3 . 18049 1 221 . 1 1 27 27 TYR HD1 H 1 7.170 0.020 . 1 . . . A 27 TYR HD1 . 18049 1 222 . 1 1 27 27 TYR HD2 H 1 7.170 0.020 . 1 . . . A 27 TYR HD2 . 18049 1 223 . 1 1 27 27 TYR CA C 13 57.890 0.400 . 1 . . . A 27 TYR CA . 18049 1 224 . 1 1 27 27 TYR CB C 13 37.093 0.400 . 1 . . . A 27 TYR CB . 18049 1 225 . 1 1 27 27 TYR N N 15 124.378 0.400 . 1 . . . A 27 TYR N . 18049 1 226 . 1 1 28 28 CYS H H 1 8.490 0.020 . 1 . . . A 28 CYS H . 18049 1 227 . 1 1 28 28 CYS HB2 H 1 1.951 0.020 . 2 . . . A 28 CYS HB2 . 18049 1 228 . 1 1 28 28 CYS HB3 H 1 1.560 0.020 . 2 . . . A 28 CYS HB3 . 18049 1 229 . 1 1 28 28 CYS CA C 13 55.921 0.400 . 1 . . . A 28 CYS CA . 18049 1 230 . 1 1 28 28 CYS CB C 13 30.198 0.400 . 1 . . . A 28 CYS CB . 18049 1 231 . 1 1 28 28 CYS N N 15 126.900 0.400 . 1 . . . A 28 CYS N . 18049 1 232 . 1 1 29 29 GLY H H 1 7.792 0.020 . 1 . . . A 29 GLY H . 18049 1 233 . 1 1 29 29 GLY HA2 H 1 3.700 0.020 . 2 . . . A 29 GLY HA2 . 18049 1 234 . 1 1 29 29 GLY HA3 H 1 4.070 0.020 . 2 . . . A 29 GLY HA3 . 18049 1 235 . 1 1 29 29 GLY CA C 13 43.348 0.400 . 1 . . . A 29 GLY CA . 18049 1 236 . 1 1 29 29 GLY N N 15 113.271 0.400 . 1 . . . A 29 GLY N . 18049 1 237 . 1 1 30 30 ALA H H 1 8.541 0.020 . 1 . . . A 30 ALA H . 18049 1 238 . 1 1 30 30 ALA HA H 1 4.119 0.020 . 1 . . . A 30 ALA HA . 18049 1 239 . 1 1 30 30 ALA HB1 H 1 1.195 0.020 . . . . . A 30 ALA HB1 . 18049 1 240 . 1 1 30 30 ALA HB2 H 1 1.195 0.020 . . . . . A 30 ALA HB2 . 18049 1 241 . 1 1 30 30 ALA HB3 H 1 1.195 0.020 . . . . . A 30 ALA HB3 . 18049 1 242 . 1 1 30 30 ALA CA C 13 51.140 0.400 . 1 . . . A 30 ALA CA . 18049 1 243 . 1 1 30 30 ALA CB C 13 17.720 0.400 . 1 . . . A 30 ALA CB . 18049 1 244 . 1 1 30 30 ALA N N 15 124.805 0.400 . 1 . . . A 30 ALA N . 18049 1 245 . 1 1 31 31 THR H H 1 8.544 0.020 . 1 . . . A 31 THR H . 18049 1 246 . 1 1 31 31 THR HB H 1 3.780 0.020 . 1 . . . A 31 THR HB . 18049 1 247 . 1 1 31 31 THR HG21 H 1 0.840 0.020 . . . . . A 31 THR HG21 . 18049 1 248 . 1 1 31 31 THR HG22 H 1 0.840 0.020 . . . . . A 31 THR HG22 . 18049 1 249 . 1 1 31 31 THR HG23 H 1 0.840 0.020 . . . . . A 31 THR HG23 . 18049 1 250 . 1 1 31 31 THR CA C 13 58.082 0.400 . 1 . . . A 31 THR CA . 18049 1 251 . 1 1 31 31 THR CB C 13 67.072 0.400 . 1 . . . A 31 THR CB . 18049 1 252 . 1 1 31 31 THR CG2 C 13 18.450 0.400 . 1 . . . A 31 THR CG2 . 18049 1 253 . 1 1 31 31 THR N N 15 118.352 0.400 . 1 . . . A 31 THR N . 18049 1 254 . 1 1 32 32 ASP H H 1 9.768 0.020 . 1 . . . A 32 ASP H . 18049 1 255 . 1 1 32 32 ASP HA H 1 4.043 0.020 . 1 . . . A 32 ASP HA . 18049 1 256 . 1 1 32 32 ASP HB2 H 1 2.595 0.020 . 2 . . . A 32 ASP HB2 . 18049 1 257 . 1 1 32 32 ASP HB3 H 1 2.835 0.020 . 2 . . . A 32 ASP HB3 . 18049 1 258 . 1 1 32 32 ASP CA C 13 53.149 0.400 . 1 . . . A 32 ASP CA . 18049 1 259 . 1 1 32 32 ASP CB C 13 36.447 0.400 . 1 . . . A 32 ASP CB . 18049 1 260 . 1 1 32 32 ASP N N 15 123.222 0.400 . 1 . . . A 32 ASP N . 18049 1 261 . 1 1 33 33 ASP H H 1 8.111 0.020 . 1 . . . A 33 ASP H . 18049 1 262 . 1 1 33 33 ASP HB2 H 1 2.110 0.020 . 2 . . . A 33 ASP HB2 . 18049 1 263 . 1 1 33 33 ASP HB3 H 1 2.270 0.020 . 2 . . . A 33 ASP HB3 . 18049 1 264 . 1 1 33 33 ASP CA C 13 53.320 0.400 . 1 . . . A 33 ASP CA . 18049 1 265 . 1 1 33 33 ASP CB C 13 43.190 0.400 . 1 . . . A 33 ASP CB . 18049 1 266 . 1 1 33 33 ASP N N 15 116.889 0.400 . 1 . . . A 33 ASP N . 18049 1 267 . 1 1 34 34 HIS H H 1 6.959 0.020 . 1 . . . A 34 HIS H . 18049 1 268 . 1 1 34 34 HIS HB2 H 1 2.370 0.020 . 2 . . . A 34 HIS HB2 . 18049 1 269 . 1 1 34 34 HIS HB3 H 1 2.860 0.020 . 2 . . . A 34 HIS HB3 . 18049 1 270 . 1 1 34 34 HIS HD1 H 1 7.620 0.020 . 1 . . . A 34 HIS HD1 . 18049 1 271 . 1 1 34 34 HIS HD2 H 1 7.200 0.020 . 1 . . . A 34 HIS HD2 . 18049 1 272 . 1 1 34 34 HIS CA C 13 53.190 0.400 . 1 . . . A 34 HIS CA . 18049 1 273 . 1 1 34 34 HIS CB C 13 29.660 0.400 . 1 . . . A 34 HIS CB . 18049 1 274 . 1 1 34 34 HIS N N 15 110.849 0.400 . 1 . . . A 34 HIS N . 18049 1 275 . 1 1 35 35 TYR H H 1 8.813 0.020 . 1 . . . A 35 TYR H . 18049 1 276 . 1 1 35 35 TYR HB2 H 1 2.450 0.020 . 2 . . . A 35 TYR HB2 . 18049 1 277 . 1 1 35 35 TYR HB3 H 1 3.370 0.020 . 2 . . . A 35 TYR HB3 . 18049 1 278 . 1 1 35 35 TYR CA C 13 54.137 0.400 . 1 . . . A 35 TYR CA . 18049 1 279 . 1 1 35 35 TYR CB C 13 37.567 0.400 . 1 . . . A 35 TYR CB . 18049 1 280 . 1 1 35 35 TYR N N 15 117.529 0.400 . 1 . . . A 35 TYR N . 18049 1 281 . 1 1 36 36 SER H H 1 8.518 0.020 . 1 . . . A 36 SER H . 18049 1 282 . 1 1 36 36 SER CA C 13 57.520 0.400 . 1 . . . A 36 SER CA . 18049 1 283 . 1 1 36 36 SER CB C 13 59.800 0.400 . 1 . . . A 36 SER CB . 18049 1 284 . 1 1 36 36 SER N N 15 121.984 0.400 . 1 . . . A 36 SER N . 18049 1 285 . 1 1 37 37 ARG H H 1 7.963 0.020 . 1 . . . A 37 ARG H . 18049 1 286 . 1 1 37 37 ARG CA C 13 51.671 0.400 . 1 . . . A 37 ARG CA . 18049 1 287 . 1 1 37 37 ARG CB C 13 27.093 0.400 . 1 . . . A 37 ARG CB . 18049 1 288 . 1 1 37 37 ARG N N 15 119.707 0.400 . 1 . . . A 37 ARG N . 18049 1 289 . 1 1 38 38 HIS H H 1 7.443 0.020 . 1 . . . A 38 HIS H . 18049 1 290 . 1 1 38 38 HIS CA C 13 56.276 0.400 . 1 . . . A 38 HIS CA . 18049 1 291 . 1 1 38 38 HIS N N 15 125.394 0.400 . 1 . . . A 38 HIS N . 18049 1 292 . 1 1 39 39 CYS HA H 1 4.450 0.020 . 1 . . . A 39 CYS HA . 18049 1 293 . 1 1 39 39 CYS HB2 H 1 1.580 0.020 . 2 . . . A 39 CYS HB2 . 18049 1 294 . 1 1 39 39 CYS HB3 H 1 1.710 0.020 . 2 . . . A 39 CYS HB3 . 18049 1 295 . 1 1 39 39 CYS CA C 13 51.680 0.400 . 1 . . . A 39 CYS CA . 18049 1 296 . 1 1 39 39 CYS CB C 13 28.240 0.400 . 1 . . . A 39 CYS CB . 18049 1 297 . 1 1 40 40 PRO HA H 1 4.310 0.020 . 1 . . . A 40 PRO HA . 18049 1 298 . 1 1 40 40 PRO HB2 H 1 1.742 0.020 . 2 . . . A 40 PRO HB2 . 18049 1 299 . 1 1 40 40 PRO HB3 H 1 2.165 0.020 . 2 . . . A 40 PRO HB3 . 18049 1 300 . 1 1 40 40 PRO HD2 H 1 3.490 0.020 . 2 . . . A 40 PRO HD2 . 18049 1 301 . 1 1 40 40 PRO HD3 H 1 3.690 0.020 . 2 . . . A 40 PRO HD3 . 18049 1 302 . 1 1 40 40 PRO CA C 13 60.440 0.400 . 1 . . . A 40 PRO CA . 18049 1 303 . 1 1 40 40 PRO CB C 13 30.300 0.400 . 1 . . . A 40 PRO CB . 18049 1 304 . 1 1 40 40 PRO CD C 13 48.000 0.400 . 1 . . . A 40 PRO CD . 18049 1 305 . 1 1 41 41 LYS H H 1 8.650 0.020 . 1 . . . A 41 LYS H . 18049 1 306 . 1 1 41 41 LYS HA H 1 4.079 0.020 . 1 . . . A 41 LYS HA . 18049 1 307 . 1 1 41 41 LYS HB2 H 1 1.820 0.020 . 2 . . . A 41 LYS HB2 . 18049 1 308 . 1 1 41 41 LYS HB3 H 1 1.748 0.020 . 2 . . . A 41 LYS HB3 . 18049 1 309 . 1 1 41 41 LYS CA C 13 53.680 0.400 . 1 . . . A 41 LYS CA . 18049 1 310 . 1 1 41 41 LYS CB C 13 29.641 0.400 . 1 . . . A 41 LYS CB . 18049 1 311 . 1 1 41 41 LYS N N 15 121.400 0.400 . 1 . . . A 41 LYS N . 18049 1 312 . 1 1 42 42 ALA H H 1 7.201 0.020 . 1 . . . A 42 ALA H . 18049 1 313 . 1 1 42 42 ALA HA H 1 3.519 0.020 . 1 . . . A 42 ALA HA . 18049 1 314 . 1 1 42 42 ALA HB1 H 1 0.819 0.020 . . . . . A 42 ALA HB1 . 18049 1 315 . 1 1 42 42 ALA HB2 H 1 0.819 0.020 . . . . . A 42 ALA HB2 . 18049 1 316 . 1 1 42 42 ALA HB3 H 1 0.819 0.020 . . . . . A 42 ALA HB3 . 18049 1 317 . 1 1 42 42 ALA CA C 13 49.591 0.400 . 1 . . . A 42 ALA CA . 18049 1 318 . 1 1 42 42 ALA CB C 13 16.456 0.400 . 1 . . . A 42 ALA CB . 18049 1 319 . 1 1 42 42 ALA N N 15 122.096 0.400 . 1 . . . A 42 ALA N . 18049 1 320 . 1 1 43 43 ILE H H 1 7.086 0.020 . 1 . . . A 43 ILE H . 18049 1 321 . 1 1 43 43 ILE HA H 1 3.731 0.020 . 1 . . . A 43 ILE HA . 18049 1 322 . 1 1 43 43 ILE HB H 1 1.306 0.020 . 1 . . . A 43 ILE HB . 18049 1 323 . 1 1 43 43 ILE HG12 H 1 1.060 0.020 . 2 . . . A 43 ILE HG12 . 18049 1 324 . 1 1 43 43 ILE HG13 H 1 0.745 0.020 . 2 . . . A 43 ILE HG13 . 18049 1 325 . 1 1 43 43 ILE HG21 H 1 0.150 0.020 . . . . . A 43 ILE HG21 . 18049 1 326 . 1 1 43 43 ILE HG22 H 1 0.150 0.020 . . . . . A 43 ILE HG22 . 18049 1 327 . 1 1 43 43 ILE HG23 H 1 0.150 0.020 . . . . . A 43 ILE HG23 . 18049 1 328 . 1 1 43 43 ILE HD11 H 1 0.494 0.020 . . . . . A 43 ILE HD11 . 18049 1 329 . 1 1 43 43 ILE HD12 H 1 0.494 0.020 . . . . . A 43 ILE HD12 . 18049 1 330 . 1 1 43 43 ILE HD13 H 1 0.494 0.020 . . . . . A 43 ILE HD13 . 18049 1 331 . 1 1 43 43 ILE CA C 13 57.966 0.400 . 1 . . . A 43 ILE CA . 18049 1 332 . 1 1 43 43 ILE CB C 13 35.977 0.400 . 1 . . . A 43 ILE CB . 18049 1 333 . 1 1 43 43 ILE CG1 C 13 24.054 0.400 . 1 . . . A 43 ILE CG1 . 18049 1 334 . 1 1 43 43 ILE CG2 C 13 13.895 0.400 . 1 . . . A 43 ILE CG2 . 18049 1 335 . 1 1 43 43 ILE CD1 C 13 10.526 0.400 . 1 . . . A 43 ILE CD1 . 18049 1 336 . 1 1 43 43 ILE N N 15 119.646 0.400 . 1 . . . A 43 ILE N . 18049 1 337 . 1 1 44 44 GLN H H 1 7.980 0.020 . 1 . . . A 44 GLN H . 18049 1 338 . 1 1 44 44 GLN HA H 1 4.432 0.020 . 1 . . . A 44 GLN HA . 18049 1 339 . 1 1 44 44 GLN HB2 H 1 1.715 0.020 . 2 . . . A 44 GLN HB2 . 18049 1 340 . 1 1 44 44 GLN HB3 H 1 1.877 0.020 . 2 . . . A 44 GLN HB3 . 18049 1 341 . 1 1 44 44 GLN CA C 13 51.736 0.400 . 1 . . . A 44 GLN CA . 18049 1 342 . 1 1 44 44 GLN CB C 13 28.084 0.400 . 1 . . . A 44 GLN CB . 18049 1 343 . 1 1 44 44 GLN N N 15 125.541 0.400 . 1 . . . A 44 GLN N . 18049 1 344 . 1 1 45 45 CYS H H 1 8.353 0.020 . 1 . . . A 45 CYS H . 18049 1 345 . 1 1 45 45 CYS HA H 1 4.120 0.020 . 1 . . . A 45 CYS HA . 18049 1 346 . 1 1 45 45 CYS HB2 H 1 1.880 0.020 . 2 . . . A 45 CYS HB2 . 18049 1 347 . 1 1 45 45 CYS HB3 H 1 2.780 0.020 . 2 . . . A 45 CYS HB3 . 18049 1 348 . 1 1 45 45 CYS CA C 13 57.330 0.400 . 1 . . . A 45 CYS CA . 18049 1 349 . 1 1 45 45 CYS CB C 13 28.000 0.400 . 1 . . . A 45 CYS CB . 18049 1 350 . 1 1 45 45 CYS N N 15 130.678 0.400 . 1 . . . A 45 CYS N . 18049 1 351 . 1 1 46 46 SER H H 1 8.466 0.020 . 1 . . . A 46 SER H . 18049 1 352 . 1 1 46 46 SER HA H 1 4.334 0.020 . 1 . . . A 46 SER HA . 18049 1 353 . 1 1 46 46 SER HB2 H 1 3.950 0.020 . 2 . . . A 46 SER HB2 . 18049 1 354 . 1 1 46 46 SER HB3 H 1 4.104 0.020 . 2 . . . A 46 SER HB3 . 18049 1 355 . 1 1 46 46 SER CA C 13 56.923 0.400 . 1 . . . A 46 SER CA . 18049 1 356 . 1 1 46 46 SER CB C 13 60.400 0.400 . 1 . . . A 46 SER CB . 18049 1 357 . 1 1 46 46 SER N N 15 124.273 0.400 . 1 . . . A 46 SER N . 18049 1 358 . 1 1 47 47 LYS H H 1 9.720 0.020 . 1 . . . A 47 LYS H . 18049 1 359 . 1 1 47 47 LYS HA H 1 4.360 0.020 . 1 . . . A 47 LYS HA . 18049 1 360 . 1 1 47 47 LYS HB2 H 1 1.540 0.020 . 2 . . . A 47 LYS HB2 . 18049 1 361 . 1 1 47 47 LYS HB3 H 1 2.200 0.020 . 2 . . . A 47 LYS HB3 . 18049 1 362 . 1 1 47 47 LYS HG2 H 1 1.650 0.020 . 1 . . . A 47 LYS HG2 . 18049 1 363 . 1 1 47 47 LYS HE2 H 1 2.870 0.020 . 1 . . . A 47 LYS HE2 . 18049 1 364 . 1 1 47 47 LYS CA C 13 56.320 0.400 . 1 . . . A 47 LYS CA . 18049 1 365 . 1 1 47 47 LYS CB C 13 31.300 0.400 . 1 . . . A 47 LYS CB . 18049 1 366 . 1 1 47 47 LYS CG C 13 26.700 0.400 . 1 . . . A 47 LYS CG . 18049 1 367 . 1 1 47 47 LYS CE C 13 39.700 0.400 . 1 . . . A 47 LYS CE . 18049 1 368 . 1 1 47 47 LYS N N 15 127.929 0.400 . 1 . . . A 47 LYS N . 18049 1 369 . 1 1 48 48 CYS H H 1 8.600 0.020 . 1 . . . A 48 CYS H . 18049 1 370 . 1 1 48 48 CYS HA H 1 4.590 0.020 . 1 . . . A 48 CYS HA . 18049 1 371 . 1 1 48 48 CYS HB2 H 1 3.080 0.020 . 2 . . . A 48 CYS HB2 . 18049 1 372 . 1 1 48 48 CYS HB3 H 1 3.160 0.020 . 2 . . . A 48 CYS HB3 . 18049 1 373 . 1 1 48 48 CYS CA C 13 51.500 0.400 . 1 . . . A 48 CYS CA . 18049 1 374 . 1 1 48 48 CYS CB C 13 28.100 0.400 . 1 . . . A 48 CYS CB . 18049 1 375 . 1 1 49 49 ASP H H 1 8.830 0.020 . 1 . . . A 49 ASP H . 18049 1 376 . 1 1 49 49 ASP HA H 1 4.710 0.020 . 1 . . . A 49 ASP HA . 18049 1 377 . 1 1 49 49 ASP HB2 H 1 3.090 0.020 . 2 . . . A 49 ASP HB2 . 18049 1 378 . 1 1 49 49 ASP HB3 H 1 3.130 0.020 . 2 . . . A 49 ASP HB3 . 18049 1 379 . 1 1 49 49 ASP CA C 13 54.300 0.400 . 1 . . . A 49 ASP CA . 18049 1 380 . 1 1 49 49 ASP CB C 13 41.200 0.400 . 1 . . . A 49 ASP CB . 18049 1 381 . 1 1 50 50 GLU H H 1 8.226 0.020 . 1 . . . A 50 GLU H . 18049 1 382 . 1 1 50 50 GLU HA H 1 4.295 0.020 . 1 . . . A 50 GLU HA . 18049 1 383 . 1 1 50 50 GLU HB2 H 1 1.907 0.020 . 2 . . . A 50 GLU HB2 . 18049 1 384 . 1 1 50 50 GLU HB3 H 1 1.997 0.020 . 2 . . . A 50 GLU HB3 . 18049 1 385 . 1 1 50 50 GLU HG2 H 1 2.275 0.020 . 2 . . . A 50 GLU HG2 . 18049 1 386 . 1 1 50 50 GLU HG3 H 1 2.574 0.020 . 2 . . . A 50 GLU HG3 . 18049 1 387 . 1 1 50 50 GLU CA C 13 54.340 0.400 . 1 . . . A 50 GLU CA . 18049 1 388 . 1 1 50 50 GLU CB C 13 28.500 0.400 . 1 . . . A 50 GLU CB . 18049 1 389 . 1 1 50 50 GLU CG C 13 34.600 0.400 . 1 . . . A 50 GLU CG . 18049 1 390 . 1 1 50 50 GLU N N 15 118.700 0.400 . 1 . . . A 50 GLU N . 18049 1 391 . 1 1 51 51 VAL H H 1 8.216 0.020 . 1 . . . A 51 VAL H . 18049 1 392 . 1 1 51 51 VAL HA H 1 4.273 0.020 . 1 . . . A 51 VAL HA . 18049 1 393 . 1 1 51 51 VAL HB H 1 1.850 0.020 . 1 . . . A 51 VAL HB . 18049 1 394 . 1 1 51 51 VAL HG11 H 1 0.739 0.020 . . . . . A 51 VAL HG11 . 18049 1 395 . 1 1 51 51 VAL HG12 H 1 0.739 0.020 . . . . . A 51 VAL HG12 . 18049 1 396 . 1 1 51 51 VAL HG13 H 1 0.739 0.020 . . . . . A 51 VAL HG13 . 18049 1 397 . 1 1 51 51 VAL HG21 H 1 0.809 0.020 . . . . . A 51 VAL HG21 . 18049 1 398 . 1 1 51 51 VAL HG22 H 1 0.809 0.020 . . . . . A 51 VAL HG22 . 18049 1 399 . 1 1 51 51 VAL HG23 H 1 0.809 0.020 . . . . . A 51 VAL HG23 . 18049 1 400 . 1 1 51 51 VAL CA C 13 59.380 0.400 . 1 . . . A 51 VAL CA . 18049 1 401 . 1 1 51 51 VAL CB C 13 30.250 0.400 . 1 . . . A 51 VAL CB . 18049 1 402 . 1 1 51 51 VAL CG1 C 13 18.800 0.400 . 2 . . . A 51 VAL CG1 . 18049 1 403 . 1 1 51 51 VAL CG2 C 13 18.680 0.400 . 2 . . . A 51 VAL CG2 . 18049 1 404 . 1 1 51 51 VAL N N 15 118.593 0.400 . 1 . . . A 51 VAL N . 18049 1 405 . 1 1 52 52 GLY H H 1 8.630 0.020 . 1 . . . A 52 GLY H . 18049 1 406 . 1 1 52 52 GLY HA2 H 1 3.513 0.020 . 2 . . . A 52 GLY HA2 . 18049 1 407 . 1 1 52 52 GLY HA3 H 1 4.389 0.020 . 2 . . . A 52 GLY HA3 . 18049 1 408 . 1 1 52 52 GLY CA C 13 42.690 0.400 . 1 . . . A 52 GLY CA . 18049 1 409 . 1 1 52 52 GLY N N 15 110.908 0.400 . 1 . . . A 52 GLY N . 18049 1 410 . 1 1 53 53 HIS H H 1 6.855 0.020 . 1 . . . A 53 HIS H . 18049 1 411 . 1 1 53 53 HIS HA H 1 4.590 0.020 . 1 . . . A 53 HIS HA . 18049 1 412 . 1 1 53 53 HIS HB2 H 1 3.100 0.020 . 2 . . . A 53 HIS HB2 . 18049 1 413 . 1 1 53 53 HIS HB3 H 1 3.160 0.020 . 2 . . . A 53 HIS HB3 . 18049 1 414 . 1 1 53 53 HIS HD1 H 1 8.600 0.020 . 1 . . . A 53 HIS HD1 . 18049 1 415 . 1 1 53 53 HIS HD2 H 1 6.900 0.020 . 1 . . . A 53 HIS HD2 . 18049 1 416 . 1 1 53 53 HIS CA C 13 52.450 0.400 . 1 . . . A 53 HIS CA . 18049 1 417 . 1 1 53 53 HIS CB C 13 28.040 0.400 . 1 . . . A 53 HIS CB . 18049 1 418 . 1 1 53 53 HIS N N 15 113.633 0.400 . 1 . . . A 53 HIS N . 18049 1 419 . 1 1 54 54 TYR H H 1 8.054 0.020 . 1 . . . A 54 TYR H . 18049 1 420 . 1 1 54 54 TYR HA H 1 4.170 0.020 . 1 . . . A 54 TYR HA . 18049 1 421 . 1 1 54 54 TYR HD1 H 1 7.060 0.020 . 1 . . . A 54 TYR HD1 . 18049 1 422 . 1 1 54 54 TYR HD2 H 1 7.060 0.020 . 1 . . . A 54 TYR HD2 . 18049 1 423 . 1 1 54 54 TYR CA C 13 53.800 0.400 . 1 . . . A 54 TYR CA . 18049 1 424 . 1 1 54 54 TYR CB C 13 36.629 0.400 . 1 . . . A 54 TYR CB . 18049 1 425 . 1 1 54 54 TYR N N 15 115.154 0.400 . 1 . . . A 54 TYR N . 18049 1 426 . 1 1 55 55 ARG H H 1 8.490 0.020 . 1 . . . A 55 ARG H . 18049 1 427 . 1 1 55 55 ARG HA H 1 3.599 0.020 . 1 . . . A 55 ARG HA . 18049 1 428 . 1 1 55 55 ARG HB2 H 1 2.585 0.020 . 1 . . . A 55 ARG HB2 . 18049 1 429 . 1 1 55 55 ARG CA C 13 55.823 0.400 . 1 . . . A 55 ARG CA . 18049 1 430 . 1 1 55 55 ARG CB C 13 26.221 0.400 . 1 . . . A 55 ARG CB . 18049 1 431 . 1 1 55 55 ARG N N 15 126.509 0.400 . 1 . . . A 55 ARG N . 18049 1 432 . 1 1 56 56 SER H H 1 8.247 0.020 . 1 . . . A 56 SER H . 18049 1 433 . 1 1 56 56 SER CA C 13 56.523 0.400 . 1 . . . A 56 SER CA . 18049 1 434 . 1 1 56 56 SER CB C 13 62.261 0.400 . 1 . . . A 56 SER CB . 18049 1 435 . 1 1 56 56 SER N N 15 116.450 0.400 . 1 . . . A 56 SER N . 18049 1 436 . 1 1 57 57 GLN H H 1 8.702 0.020 . 1 . . . A 57 GLN H . 18049 1 437 . 1 1 57 57 GLN HA H 1 4.174 0.020 . 1 . . . A 57 GLN HA . 18049 1 438 . 1 1 57 57 GLN HB2 H 1 1.567 0.020 . 2 . . . A 57 GLN HB2 . 18049 1 439 . 1 1 57 57 GLN HB3 H 1 2.322 0.020 . 2 . . . A 57 GLN HB3 . 18049 1 440 . 1 1 57 57 GLN CA C 13 53.610 0.400 . 1 . . . A 57 GLN CA . 18049 1 441 . 1 1 57 57 GLN CB C 13 27.060 0.400 . 1 . . . A 57 GLN CB . 18049 1 442 . 1 1 57 57 GLN N N 15 124.678 0.400 . 1 . . . A 57 GLN N . 18049 1 443 . 1 1 58 58 CYS H H 1 7.694 0.020 . 1 . . . A 58 CYS H . 18049 1 444 . 1 1 58 58 CYS HA H 1 4.416 0.020 . 1 . . . A 58 CYS HA . 18049 1 445 . 1 1 58 58 CYS HB2 H 1 1.923 0.020 . 2 . . . A 58 CYS HB2 . 18049 1 446 . 1 1 58 58 CYS HB3 H 1 2.187 0.020 . 2 . . . A 58 CYS HB3 . 18049 1 447 . 1 1 58 58 CYS CA C 13 55.001 0.400 . 1 . . . A 58 CYS CA . 18049 1 448 . 1 1 58 58 CYS CB C 13 31.080 0.400 . 1 . . . A 58 CYS CB . 18049 1 449 . 1 1 58 58 CYS N N 15 126.577 0.400 . 1 . . . A 58 CYS N . 18049 1 450 . 1 1 62 62 TRP CA C 13 59.791 0.400 . 1 . . . A 62 TRP CA . 18049 1 451 . 1 1 62 62 TRP CB C 13 27.411 0.400 . 1 . . . A 62 TRP CB . 18049 1 452 . 1 1 63 63 LYS H H 1 8.033 0.020 . 1 . . . A 63 LYS H . 18049 1 453 . 1 1 63 63 LYS CA C 13 52.372 0.400 . 1 . . . A 63 LYS CA . 18049 1 454 . 1 1 63 63 LYS CB C 13 27.792 0.400 . 1 . . . A 63 LYS CB . 18049 1 455 . 1 1 63 63 LYS N N 15 121.641 0.400 . 1 . . . A 63 LYS N . 18049 1 456 . 1 1 64 64 LYS H H 1 8.104 0.020 . 1 . . . A 64 LYS H . 18049 1 457 . 1 1 64 64 LYS CA C 13 53.743 0.400 . 1 . . . A 64 LYS CA . 18049 1 458 . 1 1 64 64 LYS N N 15 111.775 0.400 . 1 . . . A 64 LYS N . 18049 1 459 . 1 1 65 65 VAL H H 1 8.306 0.020 . 1 . . . A 65 VAL H . 18049 1 460 . 1 1 65 65 VAL HA H 1 4.040 0.020 . 1 . . . A 65 VAL HA . 18049 1 461 . 1 1 65 65 VAL HG11 H 1 0.778 0.020 . . . . . A 65 VAL HG11 . 18049 1 462 . 1 1 65 65 VAL HG12 H 1 0.778 0.020 . . . . . A 65 VAL HG12 . 18049 1 463 . 1 1 65 65 VAL HG13 H 1 0.778 0.020 . . . . . A 65 VAL HG13 . 18049 1 464 . 1 1 65 65 VAL HG21 H 1 0.803 0.020 . . . . . A 65 VAL HG21 . 18049 1 465 . 1 1 65 65 VAL HG22 H 1 0.803 0.020 . . . . . A 65 VAL HG22 . 18049 1 466 . 1 1 65 65 VAL HG23 H 1 0.803 0.020 . . . . . A 65 VAL HG23 . 18049 1 467 . 1 1 65 65 VAL CA C 13 59.290 0.400 . 1 . . . A 65 VAL CA . 18049 1 468 . 1 1 65 65 VAL CB C 13 29.411 0.400 . 1 . . . A 65 VAL CB . 18049 1 469 . 1 1 65 65 VAL CG1 C 13 18.620 0.400 . 2 . . . A 65 VAL CG1 . 18049 1 470 . 1 1 65 65 VAL CG2 C 13 18.090 0.400 . 2 . . . A 65 VAL CG2 . 18049 1 471 . 1 1 65 65 VAL N N 15 122.037 0.400 . 1 . . . A 65 VAL N . 18049 1 472 . 1 1 66 66 GLN H H 1 8.360 0.020 . 1 . . . A 66 GLN H . 18049 1 473 . 1 1 66 66 GLN CA C 13 53.603 0.400 . 1 . . . A 66 GLN CA . 18049 1 474 . 1 1 66 66 GLN CB C 13 30.300 0.400 . 1 . . . A 66 GLN CB . 18049 1 475 . 1 1 66 66 GLN N N 15 121.994 0.400 . 1 . . . A 66 GLN N . 18049 1 476 . 1 1 67 67 CYS H H 1 8.032 0.020 . 1 . . . A 67 CYS H . 18049 1 477 . 1 1 67 67 CYS HA H 1 4.039 0.020 . 1 . . . A 67 CYS HA . 18049 1 478 . 1 1 67 67 CYS HB2 H 1 1.667 0.020 . 2 . . . A 67 CYS HB2 . 18049 1 479 . 1 1 67 67 CYS HB3 H 1 1.894 0.020 . 2 . . . A 67 CYS HB3 . 18049 1 480 . 1 1 67 67 CYS CA C 13 59.215 0.400 . 1 . . . A 67 CYS CA . 18049 1 481 . 1 1 67 67 CYS CB C 13 30.532 0.400 . 1 . . . A 67 CYS CB . 18049 1 482 . 1 1 67 67 CYS N N 15 121.582 0.400 . 1 . . . A 67 CYS N . 18049 1 483 . 1 1 68 68 THR HA H 1 4.046 0.020 . 1 . . . A 68 THR HA . 18049 1 484 . 1 1 68 68 THR HB H 1 4.290 0.020 . 1 . . . A 68 THR HB . 18049 1 485 . 1 1 68 68 THR HG21 H 1 1.280 0.020 . . . . . A 68 THR HG21 . 18049 1 486 . 1 1 68 68 THR HG22 H 1 1.280 0.020 . . . . . A 68 THR HG22 . 18049 1 487 . 1 1 68 68 THR HG23 H 1 1.280 0.020 . . . . . A 68 THR HG23 . 18049 1 488 . 1 1 68 68 THR CA C 13 61.228 0.400 . 1 . . . A 68 THR CA . 18049 1 489 . 1 1 68 68 THR CB C 13 65.371 0.400 . 1 . . . A 68 THR CB . 18049 1 490 . 1 1 68 68 THR CG2 C 13 20.348 0.400 . 1 . . . A 68 THR CG2 . 18049 1 491 . 1 1 69 69 LEU H H 1 9.024 0.020 . 1 . . . A 69 LEU H . 18049 1 492 . 1 1 69 69 LEU HA H 1 4.382 0.020 . 1 . . . A 69 LEU HA . 18049 1 493 . 1 1 69 69 LEU HB2 H 1 1.388 0.020 . 2 . . . A 69 LEU HB2 . 18049 1 494 . 1 1 69 69 LEU HB3 H 1 2.129 0.020 . 2 . . . A 69 LEU HB3 . 18049 1 495 . 1 1 69 69 LEU HG H 1 1.551 0.020 . 1 . . . A 69 LEU HG . 18049 1 496 . 1 1 69 69 LEU HD11 H 1 0.733 0.020 . . . . . A 69 LEU HD11 . 18049 1 497 . 1 1 69 69 LEU HD12 H 1 0.733 0.020 . . . . . A 69 LEU HD12 . 18049 1 498 . 1 1 69 69 LEU HD13 H 1 0.733 0.020 . . . . . A 69 LEU HD13 . 18049 1 499 . 1 1 69 69 LEU HD21 H 1 0.835 0.020 . . . . . A 69 LEU HD21 . 18049 1 500 . 1 1 69 69 LEU HD22 H 1 0.835 0.020 . . . . . A 69 LEU HD22 . 18049 1 501 . 1 1 69 69 LEU HD23 H 1 0.835 0.020 . . . . . A 69 LEU HD23 . 18049 1 502 . 1 1 69 69 LEU CA C 13 54.429 0.400 . 1 . . . A 69 LEU CA . 18049 1 503 . 1 1 69 69 LEU CB C 13 39.790 0.400 . 1 . . . A 69 LEU CB . 18049 1 504 . 1 1 69 69 LEU CG C 13 24.470 0.400 . 1 . . . A 69 LEU CG . 18049 1 505 . 1 1 69 69 LEU CD1 C 13 20.310 0.400 . 2 . . . A 69 LEU CD1 . 18049 1 506 . 1 1 69 69 LEU CD2 C 13 23.070 0.400 . 2 . . . A 69 LEU CD2 . 18049 1 507 . 1 1 69 69 LEU N N 15 124.335 0.400 . 1 . . . A 69 LEU N . 18049 1 508 . 1 1 70 70 CYS H H 1 8.716 0.020 . 1 . . . A 70 CYS H . 18049 1 509 . 1 1 70 70 CYS HA H 1 4.336 0.020 . 1 . . . A 70 CYS HA . 18049 1 510 . 1 1 70 70 CYS HB2 H 1 1.562 0.020 . 2 . . . A 70 CYS HB2 . 18049 1 511 . 1 1 70 70 CYS HB3 H 1 1.861 0.020 . 2 . . . A 70 CYS HB3 . 18049 1 512 . 1 1 70 70 CYS CA C 13 53.145 0.400 . 1 . . . A 70 CYS CA . 18049 1 513 . 1 1 70 70 CYS CB C 13 29.863 0.400 . 1 . . . A 70 CYS CB . 18049 1 514 . 1 1 70 70 CYS N N 15 118.876 0.400 . 1 . . . A 70 CYS N . 18049 1 515 . 1 1 71 71 LYS H H 1 8.505 0.020 . 1 . . . A 71 LYS H . 18049 1 516 . 1 1 71 71 LYS HA H 1 4.167 0.020 . 1 . . . A 71 LYS HA . 18049 1 517 . 1 1 71 71 LYS HB2 H 1 2.150 0.020 . 2 . . . A 71 LYS HB2 . 18049 1 518 . 1 1 71 71 LYS HB3 H 1 2.250 0.020 . 2 . . . A 71 LYS HB3 . 18049 1 519 . 1 1 71 71 LYS HD2 H 1 1.748 0.020 . 2 . . . A 71 LYS HD2 . 18049 1 520 . 1 1 71 71 LYS HD3 H 1 2.027 0.020 . 2 . . . A 71 LYS HD3 . 18049 1 521 . 1 1 71 71 LYS CA C 13 53.835 0.400 . 1 . . . A 71 LYS CA . 18049 1 522 . 1 1 71 71 LYS CB C 13 33.520 0.400 . 1 . . . A 71 LYS CB . 18049 1 523 . 1 1 71 71 LYS CD C 13 27.180 0.400 . 1 . . . A 71 LYS CD . 18049 1 524 . 1 1 71 71 LYS N N 15 122.961 0.400 . 1 . . . A 71 LYS N . 18049 1 525 . 1 1 74 74 LYS CA C 13 56.238 0.400 . 1 . . . A 74 LYS CA . 18049 1 526 . 1 1 74 74 LYS CB C 13 31.243 0.400 . 1 . . . A 74 LYS CB . 18049 1 527 . 1 1 75 75 HIS H H 1 6.732 0.020 . 1 . . . A 75 HIS H . 18049 1 528 . 1 1 75 75 HIS HA H 1 4.460 0.020 . 1 . . . A 75 HIS HA . 18049 1 529 . 1 1 75 75 HIS HB2 H 1 2.940 0.020 . 1 . . . A 75 HIS HB2 . 18049 1 530 . 1 1 75 75 HIS HB3 H 1 2.940 0.020 . 1 . . . A 75 HIS HB3 . 18049 1 531 . 1 1 75 75 HIS HD2 H 1 6.810 0.020 . 1 . . . A 75 HIS HD2 . 18049 1 532 . 1 1 75 75 HIS CA C 13 52.255 0.400 . 1 . . . A 75 HIS CA . 18049 1 533 . 1 1 75 75 HIS CB C 13 28.700 0.400 . 1 . . . A 75 HIS CB . 18049 1 534 . 1 1 75 75 HIS N N 15 111.915 0.400 . 1 . . . A 75 HIS N . 18049 1 535 . 1 1 78 78 GLU H H 1 8.831 0.020 . 1 . . . A 78 GLU H . 18049 1 536 . 1 1 78 78 GLU HA H 1 4.010 0.020 . 1 . . . A 78 GLU HA . 18049 1 537 . 1 1 78 78 GLU HB2 H 1 1.870 0.020 . 2 . . . A 78 GLU HB2 . 18049 1 538 . 1 1 78 78 GLU HB3 H 1 1.940 0.020 . 2 . . . A 78 GLU HB3 . 18049 1 539 . 1 1 78 78 GLU HG2 H 1 2.240 0.020 . 1 . . . A 78 GLU HG2 . 18049 1 540 . 1 1 78 78 GLU HG3 H 1 2.240 0.020 . 1 . . . A 78 GLU HG3 . 18049 1 541 . 1 1 78 78 GLU CA C 13 56.480 0.400 . 1 . . . A 78 GLU CA . 18049 1 542 . 1 1 78 78 GLU CB C 13 34.350 0.400 . 1 . . . A 78 GLU CB . 18049 1 543 . 1 1 78 78 GLU CG C 13 34.350 0.400 . 1 . . . A 78 GLU CG . 18049 1 544 . 1 1 78 78 GLU N N 15 118.980 0.400 . 1 . . . A 78 GLU N . 18049 1 545 . 1 1 81 81 PRO HA H 1 4.280 0.020 . 1 . . . A 81 PRO HA . 18049 1 546 . 1 1 81 81 PRO HB2 H 1 1.800 0.020 . 2 . . . A 81 PRO HB2 . 18049 1 547 . 1 1 81 81 PRO HB3 H 1 2.094 0.020 . 2 . . . A 81 PRO HB3 . 18049 1 548 . 1 1 81 81 PRO CA C 13 61.512 0.400 . 1 . . . A 81 PRO CA . 18049 1 549 . 1 1 81 81 PRO CB C 13 29.514 0.400 . 1 . . . A 81 PRO CB . 18049 1 550 . 1 1 82 82 SER H H 1 8.684 0.020 . 1 . . . A 82 SER H . 18049 1 551 . 1 1 82 82 SER HA H 1 4.105 0.020 . 1 . . . A 82 SER HA . 18049 1 552 . 1 1 82 82 SER HB2 H 1 3.826 0.020 . 1 . . . A 82 SER HB2 . 18049 1 553 . 1 1 82 82 SER HB3 H 1 3.826 0.020 . 1 . . . A 82 SER HB3 . 18049 1 554 . 1 1 82 82 SER CA C 13 58.317 0.400 . 1 . . . A 82 SER CA . 18049 1 555 . 1 1 82 82 SER CB C 13 60.104 0.400 . 1 . . . A 82 SER CB . 18049 1 556 . 1 1 82 82 SER N N 15 116.172 0.400 . 1 . . . A 82 SER N . 18049 1 557 . 1 1 83 83 ILE H H 1 7.424 0.020 . 1 . . . A 83 ILE H . 18049 1 558 . 1 1 83 83 ILE CA C 13 59.168 0.400 . 1 . . . A 83 ILE CA . 18049 1 559 . 1 1 83 83 ILE CB C 13 38.482 0.400 . 1 . . . A 83 ILE CB . 18049 1 560 . 1 1 83 83 ILE N N 15 118.847 0.400 . 1 . . . A 83 ILE N . 18049 1 561 . 1 1 84 84 TRP H H 1 8.131 0.020 . 1 . . . A 84 TRP H . 18049 1 562 . 1 1 84 84 TRP CA C 13 54.593 0.400 . 1 . . . A 84 TRP CA . 18049 1 563 . 1 1 84 84 TRP CB C 13 25.868 0.400 . 1 . . . A 84 TRP CB . 18049 1 564 . 1 1 84 84 TRP N N 15 115.140 0.400 . 1 . . . A 84 TRP N . 18049 1 565 . 1 1 85 85 ARG H H 1 7.884 0.020 . 1 . . . A 85 ARG H . 18049 1 566 . 1 1 85 85 ARG CA C 13 51.218 0.400 . 1 . . . A 85 ARG CA . 18049 1 567 . 1 1 85 85 ARG CB C 13 29.330 0.400 . 1 . . . A 85 ARG CB . 18049 1 568 . 1 1 85 85 ARG N N 15 118.936 0.400 . 1 . . . A 85 ARG N . 18049 1 569 . 1 1 86 86 ALA HA H 1 3.970 0.020 . 1 . . . A 86 ALA HA . 18049 1 570 . 1 1 86 86 ALA HB1 H 1 1.130 0.020 . . . . . A 86 ALA HB1 . 18049 1 571 . 1 1 86 86 ALA HB2 H 1 1.130 0.020 . . . . . A 86 ALA HB2 . 18049 1 572 . 1 1 86 86 ALA HB3 H 1 1.130 0.020 . . . . . A 86 ALA HB3 . 18049 1 573 . 1 1 86 86 ALA CA C 13 50.020 0.400 . 1 . . . A 86 ALA CA . 18049 1 574 . 1 1 86 86 ALA CB C 13 16.400 0.400 . 1 . . . A 86 ALA CB . 18049 1 575 . 1 1 87 87 TYR H H 1 7.733 0.020 . 1 . . . A 87 TYR H . 18049 1 576 . 1 1 87 87 TYR HA H 1 4.456 0.020 . 1 . . . A 87 TYR HA . 18049 1 577 . 1 1 87 87 TYR HB2 H 1 2.406 0.020 . 2 . . . A 87 TYR HB2 . 18049 1 578 . 1 1 87 87 TYR HB3 H 1 2.884 0.020 . 2 . . . A 87 TYR HB3 . 18049 1 579 . 1 1 87 87 TYR CA C 13 54.928 0.400 . 1 . . . A 87 TYR CA . 18049 1 580 . 1 1 87 87 TYR CB C 13 40.012 0.400 . 1 . . . A 87 TYR CB . 18049 1 581 . 1 1 87 87 TYR N N 15 117.965 0.400 . 1 . . . A 87 TYR N . 18049 1 582 . 1 1 89 89 LEU CA C 13 55.641 0.400 . 1 . . . A 89 LEU CA . 18049 1 583 . 1 1 89 89 LEU CB C 13 36.799 0.400 . 1 . . . A 89 LEU CB . 18049 1 584 . 1 1 90 90 VAL H H 1 8.944 0.020 . 1 . . . A 90 VAL H . 18049 1 585 . 1 1 90 90 VAL CA C 13 59.110 0.400 . 1 . . . A 90 VAL CA . 18049 1 586 . 1 1 90 90 VAL CB C 13 30.127 0.400 . 1 . . . A 90 VAL CB . 18049 1 587 . 1 1 90 90 VAL N N 15 118.969 0.400 . 1 . . . A 90 VAL N . 18049 1 588 . 1 1 91 91 ASP H H 1 8.320 0.020 . 1 . . . A 91 ASP H . 18049 1 589 . 1 1 91 91 ASP CA C 13 49.968 0.400 . 1 . . . A 91 ASP CA . 18049 1 590 . 1 1 91 91 ASP CB C 13 38.862 0.400 . 1 . . . A 91 ASP CB . 18049 1 591 . 1 1 91 91 ASP N N 15 127.947 0.400 . 1 . . . A 91 ASP N . 18049 1 592 . 1 1 92 92 ASP CA C 13 52.018 0.400 . 1 . . . A 92 ASP CA . 18049 1 593 . 1 1 92 92 ASP CB C 13 38.447 0.400 . 1 . . . A 92 ASP CB . 18049 1 594 . 1 1 93 93 ASN H H 1 8.396 0.020 . 1 . . . A 93 ASN H . 18049 1 595 . 1 1 93 93 ASN CA C 13 51.153 0.400 . 1 . . . A 93 ASN CA . 18049 1 596 . 1 1 93 93 ASN CB C 13 36.371 0.400 . 1 . . . A 93 ASN CB . 18049 1 597 . 1 1 93 93 ASN N N 15 118.727 0.400 . 1 . . . A 93 ASN N . 18049 1 598 . 1 1 94 94 GLU H H 1 8.266 0.020 . 1 . . . A 94 GLU H . 18049 1 599 . 1 1 94 94 GLU CA C 13 54.389 0.400 . 1 . . . A 94 GLU CA . 18049 1 600 . 1 1 94 94 GLU CB C 13 27.270 0.400 . 1 . . . A 94 GLU CB . 18049 1 601 . 1 1 94 94 GLU N N 15 120.824 0.400 . 1 . . . A 94 GLU N . 18049 1 602 . 1 1 95 95 LYS H H 1 8.055 0.020 . 1 . . . A 95 LYS H . 18049 1 603 . 1 1 95 95 LYS HA H 1 4.156 0.020 . 1 . . . A 95 LYS HA . 18049 1 604 . 1 1 95 95 LYS HB2 H 1 1.615 0.020 . 2 . . . A 95 LYS HB2 . 18049 1 605 . 1 1 95 95 LYS HB3 H 1 1.712 0.020 . 2 . . . A 95 LYS HB3 . 18049 1 606 . 1 1 95 95 LYS CA C 13 53.841 0.400 . 1 . . . A 95 LYS CA . 18049 1 607 . 1 1 95 95 LYS CB C 13 30.173 0.400 . 1 . . . A 95 LYS CB . 18049 1 608 . 1 1 95 95 LYS N N 15 121.079 0.400 . 1 . . . A 95 LYS N . 18049 1 609 . 1 1 96 96 ALA H H 1 8.053 0.020 . 1 . . . A 96 ALA H . 18049 1 610 . 1 1 96 96 ALA HA H 1 4.202 0.020 . 1 . . . A 96 ALA HA . 18049 1 611 . 1 1 96 96 ALA HB1 H 1 1.271 0.020 . . . . . A 96 ALA HB1 . 18049 1 612 . 1 1 96 96 ALA HB2 H 1 1.271 0.020 . . . . . A 96 ALA HB2 . 18049 1 613 . 1 1 96 96 ALA HB3 H 1 1.271 0.020 . . . . . A 96 ALA HB3 . 18049 1 614 . 1 1 96 96 ALA CA C 13 49.727 0.400 . 1 . . . A 96 ALA CA . 18049 1 615 . 1 1 96 96 ALA CB C 13 16.752 0.400 . 1 . . . A 96 ALA CB . 18049 1 616 . 1 1 96 96 ALA N N 15 124.103 0.400 . 1 . . . A 96 ALA N . 18049 1 617 . 1 1 97 97 LYS H H 1 8.091 0.020 . 1 . . . A 97 LYS H . 18049 1 618 . 1 1 97 97 LYS HA H 1 4.885 0.020 . 1 . . . A 97 LYS HA . 18049 1 619 . 1 1 97 97 LYS CA C 13 51.459 0.400 . 1 . . . A 97 LYS CA . 18049 1 620 . 1 1 97 97 LYS N N 15 121.893 0.400 . 1 . . . A 97 LYS N . 18049 1 621 . 1 1 98 98 PRO HA H 1 4.436 0.020 . 1 . . . A 98 PRO HA . 18049 1 622 . 1 1 98 98 PRO HB2 H 1 1.770 0.020 . 2 . . . A 98 PRO HB2 . 18049 1 623 . 1 1 98 98 PRO HB3 H 1 1.487 0.020 . 2 . . . A 98 PRO HB3 . 18049 1 624 . 1 1 98 98 PRO CA C 13 60.025 0.400 . 1 . . . A 98 PRO CA . 18049 1 625 . 1 1 98 98 PRO CB C 13 29.542 0.400 . 1 . . . A 98 PRO CB . 18049 1 626 . 1 1 99 99 LYS H H 1 8.241 0.020 . 1 . . . A 99 LYS H . 18049 1 627 . 1 1 99 99 LYS HA H 1 4.365 0.020 . 1 . . . A 99 LYS HA . 18049 1 628 . 1 1 99 99 LYS HB2 H 1 2.523 0.020 . 2 . . . A 99 LYS HB2 . 18049 1 629 . 1 1 99 99 LYS HB3 H 1 2.265 0.020 . 2 . . . A 99 LYS HB3 . 18049 1 630 . 1 1 99 99 LYS HD2 H 1 1.953 0.020 . 2 . . . A 99 LYS HD2 . 18049 1 631 . 1 1 99 99 LYS HD3 H 1 2.110 0.020 . 2 . . . A 99 LYS HD3 . 18049 1 632 . 1 1 99 99 LYS CA C 13 52.659 0.400 . 1 . . . A 99 LYS CA . 18049 1 633 . 1 1 99 99 LYS CB C 13 31.973 0.400 . 1 . . . A 99 LYS CB . 18049 1 634 . 1 1 99 99 LYS CD C 13 28.029 0.400 . 1 . . . A 99 LYS CD . 18049 1 635 . 1 1 99 99 LYS N N 15 121.497 0.400 . 1 . . . A 99 LYS N . 18049 1 636 . 1 1 102 102 PRO HA H 1 4.267 0.020 . 1 . . . A 102 PRO HA . 18049 1 637 . 1 1 102 102 PRO HB2 H 1 1.511 0.020 . 2 . . . A 102 PRO HB2 . 18049 1 638 . 1 1 102 102 PRO HB3 H 1 1.764 0.020 . 2 . . . A 102 PRO HB3 . 18049 1 639 . 1 1 102 102 PRO CA C 13 61.403 0.400 . 1 . . . A 102 PRO CA . 18049 1 640 . 1 1 102 102 PRO CB C 13 29.457 0.400 . 1 . . . A 102 PRO CB . 18049 1 641 . 1 1 103 103 PHE H H 1 8.675 0.020 . 1 . . . A 103 PHE H . 18049 1 642 . 1 1 103 103 PHE CA C 13 56.059 0.400 . 1 . . . A 103 PHE CA . 18049 1 643 . 1 1 103 103 PHE N N 15 118.755 0.400 . 1 . . . A 103 PHE N . 18049 1 644 . 1 1 105 105 THR HA H 1 4.630 0.020 . 1 . . . A 105 THR HA . 18049 1 645 . 1 1 105 105 THR HB H 1 4.646 0.020 . 1 . . . A 105 THR HB . 18049 1 646 . 1 1 105 105 THR CA C 13 59.356 0.400 . 1 . . . A 105 THR CA . 18049 1 647 . 1 1 105 105 THR CB C 13 67.299 0.400 . 1 . . . A 105 THR CB . 18049 1 648 . 1 1 106 106 ILE H H 1 7.833 0.020 . 1 . . . A 106 ILE H . 18049 1 649 . 1 1 106 106 ILE HA H 1 4.631 0.020 . 1 . . . A 106 ILE HA . 18049 1 650 . 1 1 106 106 ILE CA C 13 57.730 0.400 . 1 . . . A 106 ILE CA . 18049 1 651 . 1 1 106 106 ILE CB C 13 36.907 0.400 . 1 . . . A 106 ILE CB . 18049 1 652 . 1 1 106 106 ILE N N 15 124.035 0.400 . 1 . . . A 106 ILE N . 18049 1 653 . 1 1 107 107 TYR H H 1 8.925 0.020 . 1 . . . A 107 TYR H . 18049 1 654 . 1 1 107 107 TYR HA H 1 4.540 0.020 . 1 . . . A 107 TYR HA . 18049 1 655 . 1 1 107 107 TYR HB2 H 1 2.950 0.020 . 2 . . . A 107 TYR HB2 . 18049 1 656 . 1 1 107 107 TYR HB3 H 1 3.390 0.020 . 2 . . . A 107 TYR HB3 . 18049 1 657 . 1 1 107 107 TYR HD1 H 1 7.190 0.020 . 1 . . . A 107 TYR HD1 . 18049 1 658 . 1 1 107 107 TYR HD2 H 1 7.190 0.020 . 1 . . . A 107 TYR HD2 . 18049 1 659 . 1 1 107 107 TYR HE1 H 1 6.620 0.020 . 1 . . . A 107 TYR HE1 . 18049 1 660 . 1 1 107 107 TYR HE2 H 1 6.620 0.020 . 1 . . . A 107 TYR HE2 . 18049 1 661 . 1 1 107 107 TYR CA C 13 55.828 0.400 . 1 . . . A 107 TYR CA . 18049 1 662 . 1 1 107 107 TYR CB C 13 37.240 0.400 . 1 . . . A 107 TYR CB . 18049 1 663 . 1 1 107 107 TYR N N 15 118.339 0.400 . 1 . . . A 107 TYR N . 18049 1 664 . 1 1 108 108 CYS H H 1 8.335 0.020 . 1 . . . A 108 CYS H . 18049 1 665 . 1 1 108 108 CYS HA H 1 4.120 0.020 . 1 . . . A 108 CYS HA . 18049 1 666 . 1 1 108 108 CYS HB2 H 1 1.950 0.020 . 2 . . . A 108 CYS HB2 . 18049 1 667 . 1 1 108 108 CYS HB3 H 1 2.855 0.020 . 2 . . . A 108 CYS HB3 . 18049 1 668 . 1 1 108 108 CYS CA C 13 55.950 0.400 . 1 . . . A 108 CYS CA . 18049 1 669 . 1 1 108 108 CYS CB C 13 27.900 0.400 . 1 . . . A 108 CYS CB . 18049 1 670 . 1 1 108 108 CYS N N 15 130.380 0.400 . 1 . . . A 108 CYS N . 18049 1 671 . 1 1 109 109 TYR H H 1 8.011 0.020 . 1 . . . A 109 TYR H . 18049 1 672 . 1 1 109 109 TYR HA H 1 4.400 0.020 . 1 . . . A 109 TYR HA . 18049 1 673 . 1 1 109 109 TYR HB2 H 1 2.930 0.020 . 2 . . . A 109 TYR HB2 . 18049 1 674 . 1 1 109 109 TYR HB3 H 1 3.350 0.020 . 2 . . . A 109 TYR HB3 . 18049 1 675 . 1 1 109 109 TYR HD1 H 1 7.070 0.020 . 1 . . . A 109 TYR HD1 . 18049 1 676 . 1 1 109 109 TYR HD2 H 1 7.070 0.020 . 1 . . . A 109 TYR HD2 . 18049 1 677 . 1 1 109 109 TYR CA C 13 56.270 0.400 . 1 . . . A 109 TYR CA . 18049 1 678 . 1 1 109 109 TYR CB C 13 34.500 0.400 . 1 . . . A 109 TYR CB . 18049 1 679 . 1 1 109 109 TYR N N 15 126.618 0.400 . 1 . . . A 109 TYR N . 18049 1 680 . 1 1 110 110 ASN H H 1 9.284 0.020 . 1 . . . A 110 ASN H . 18049 1 681 . 1 1 110 110 ASN HA H 1 4.802 0.020 . 1 . . . A 110 ASN HA . 18049 1 682 . 1 1 110 110 ASN HB2 H 1 2.364 0.020 . 2 . . . A 110 ASN HB2 . 18049 1 683 . 1 1 110 110 ASN HB3 H 1 2.860 0.020 . 2 . . . A 110 ASN HB3 . 18049 1 684 . 1 1 110 110 ASN CA C 13 53.569 0.400 . 1 . . . A 110 ASN CA . 18049 1 685 . 1 1 110 110 ASN CB C 13 37.922 0.400 . 1 . . . A 110 ASN CB . 18049 1 686 . 1 1 110 110 ASN N N 15 125.398 0.400 . 1 . . . A 110 ASN N . 18049 1 687 . 1 1 111 111 CYS H H 1 9.171 0.020 . 1 . . . A 111 CYS H . 18049 1 688 . 1 1 111 111 CYS HA H 1 4.910 0.020 . 1 . . . A 111 CYS HA . 18049 1 689 . 1 1 111 111 CYS HB2 H 1 2.520 0.020 . 2 . . . A 111 CYS HB2 . 18049 1 690 . 1 1 111 111 CYS HB3 H 1 3.240 0.020 . 2 . . . A 111 CYS HB3 . 18049 1 691 . 1 1 111 111 CYS CA C 13 55.986 0.400 . 1 . . . A 111 CYS CA . 18049 1 692 . 1 1 111 111 CYS CB C 13 30.172 0.400 . 1 . . . A 111 CYS CB . 18049 1 693 . 1 1 111 111 CYS N N 15 118.921 0.400 . 1 . . . A 111 CYS N . 18049 1 694 . 1 1 112 112 GLY H H 1 7.840 0.020 . 1 . . . A 112 GLY H . 18049 1 695 . 1 1 112 112 GLY HA2 H 1 3.750 0.020 . 2 . . . A 112 GLY HA2 . 18049 1 696 . 1 1 112 112 GLY HA3 H 1 4.030 0.020 . 2 . . . A 112 GLY HA3 . 18049 1 697 . 1 1 112 112 GLY CA C 13 43.281 0.400 . 1 . . . A 112 GLY CA . 18049 1 698 . 1 1 112 112 GLY N N 15 114.064 0.400 . 1 . . . A 112 GLY N . 18049 1 699 . 1 1 113 113 GLY H H 1 9.023 0.020 . 1 . . . A 113 GLY H . 18049 1 700 . 1 1 113 113 GLY HA2 H 1 4.013 0.020 . 2 . . . A 113 GLY HA2 . 18049 1 701 . 1 1 113 113 GLY HA3 H 1 3.510 0.020 . 2 . . . A 113 GLY HA3 . 18049 1 702 . 1 1 113 113 GLY CA C 13 41.193 0.400 . 1 . . . A 113 GLY CA . 18049 1 703 . 1 1 113 113 GLY N N 15 112.541 0.400 . 1 . . . A 113 GLY N . 18049 1 704 . 1 1 114 114 LYS H H 1 8.200 0.020 . 1 . . . A 114 LYS H . 18049 1 705 . 1 1 114 114 LYS HA H 1 4.260 0.020 . 1 . . . A 114 LYS HA . 18049 1 706 . 1 1 114 114 LYS HB2 H 1 1.370 0.020 . 2 . . . A 114 LYS HB2 . 18049 1 707 . 1 1 114 114 LYS HB3 H 1 1.490 0.020 . 2 . . . A 114 LYS HB3 . 18049 1 708 . 1 1 114 114 LYS HG2 H 1 0.994 0.020 . 1 . . . A 114 LYS HG2 . 18049 1 709 . 1 1 114 114 LYS HG3 H 1 0.994 0.020 . 1 . . . A 114 LYS HG3 . 18049 1 710 . 1 1 114 114 LYS CA C 13 52.750 0.400 . 1 . . . A 114 LYS CA . 18049 1 711 . 1 1 114 114 LYS CB C 13 31.680 0.400 . 1 . . . A 114 LYS CB . 18049 1 712 . 1 1 114 114 LYS CG C 13 22.310 0.400 . 1 . . . A 114 LYS CG . 18049 1 713 . 1 1 114 114 LYS N N 15 119.130 0.400 . 1 . . . A 114 LYS N . 18049 1 714 . 1 1 115 115 GLY H H 1 8.501 0.020 . 1 . . . A 115 GLY H . 18049 1 715 . 1 1 115 115 GLY HA2 H 1 3.510 0.020 . 2 . . . A 115 GLY HA2 . 18049 1 716 . 1 1 115 115 GLY HA3 H 1 4.070 0.020 . 2 . . . A 115 GLY HA3 . 18049 1 717 . 1 1 115 115 GLY CA C 13 43.073 0.400 . 1 . . . A 115 GLY CA . 18049 1 718 . 1 1 115 115 GLY N N 15 108.864 0.400 . 1 . . . A 115 GLY N . 18049 1 719 . 1 1 116 116 HIS H H 1 6.665 0.020 . 1 . . . A 116 HIS H . 18049 1 720 . 1 1 116 116 HIS HA H 1 4.431 0.020 . 1 . . . A 116 HIS HA . 18049 1 721 . 1 1 116 116 HIS HB2 H 1 2.964 0.020 . 2 . . . A 116 HIS HB2 . 18049 1 722 . 1 1 116 116 HIS HB3 H 1 3.090 0.020 . 2 . . . A 116 HIS HB3 . 18049 1 723 . 1 1 116 116 HIS HD1 H 1 6.934 0.020 . 1 . . . A 116 HIS HD1 . 18049 1 724 . 1 1 116 116 HIS HE1 H 1 7.770 0.020 . 1 . . . A 116 HIS HE1 . 18049 1 725 . 1 1 116 116 HIS CA C 13 52.400 0.400 . 1 . . . A 116 HIS CA . 18049 1 726 . 1 1 116 116 HIS CB C 13 27.530 0.400 . 1 . . . A 116 HIS CB . 18049 1 727 . 1 1 116 116 HIS N N 15 113.173 0.400 . 1 . . . A 116 HIS N . 18049 1 728 . 1 1 117 117 PHE H H 1 8.529 0.020 . 1 . . . A 117 PHE H . 18049 1 729 . 1 1 117 117 PHE HA H 1 4.680 0.020 . 1 . . . A 117 PHE HA . 18049 1 730 . 1 1 117 117 PHE HB2 H 1 2.840 0.020 . 2 . . . A 117 PHE HB2 . 18049 1 731 . 1 1 117 117 PHE HB3 H 1 3.320 0.020 . 2 . . . A 117 PHE HB3 . 18049 1 732 . 1 1 117 117 PHE CA C 13 54.084 0.400 . 1 . . . A 117 PHE CA . 18049 1 733 . 1 1 117 117 PHE CB C 13 38.264 0.400 . 1 . . . A 117 PHE CB . 18049 1 734 . 1 1 117 117 PHE N N 15 116.353 0.400 . 1 . . . A 117 PHE N . 18049 1 735 . 1 1 118 118 GLY H H 1 8.870 0.020 . 1 . . . A 118 GLY H . 18049 1 736 . 1 1 118 118 GLY HA2 H 1 4.640 0.020 . 2 . . . A 118 GLY HA2 . 18049 1 737 . 1 1 118 118 GLY HA3 H 1 4.640 0.020 . 2 . . . A 118 GLY HA3 . 18049 1 738 . 1 1 118 118 GLY CA C 13 45.361 0.400 . 1 . . . A 118 GLY CA . 18049 1 739 . 1 1 118 118 GLY N N 15 108.977 0.400 . 1 . . . A 118 GLY N . 18049 1 740 . 1 1 119 119 ASP H H 1 7.892 0.020 . 1 . . . A 119 ASP H . 18049 1 741 . 1 1 119 119 ASP HA H 1 4.344 0.020 . 1 . . . A 119 ASP HA . 18049 1 742 . 1 1 119 119 ASP HB2 H 1 2.468 0.020 . 2 . . . A 119 ASP HB2 . 18049 1 743 . 1 1 119 119 ASP HB3 H 1 2.698 0.020 . 2 . . . A 119 ASP HB3 . 18049 1 744 . 1 1 119 119 ASP CA C 13 53.504 0.400 . 1 . . . A 119 ASP CA . 18049 1 745 . 1 1 119 119 ASP CB C 13 37.810 0.400 . 1 . . . A 119 ASP CB . 18049 1 746 . 1 1 119 119 ASP N N 15 117.997 0.400 . 1 . . . A 119 ASP N . 18049 1 747 . 1 1 120 120 ASP H H 1 7.730 0.020 . 1 . . . A 120 ASP H . 18049 1 748 . 1 1 120 120 ASP HA H 1 4.855 0.020 . 1 . . . A 120 ASP HA . 18049 1 749 . 1 1 120 120 ASP HB2 H 1 2.406 0.020 . 2 . . . A 120 ASP HB2 . 18049 1 750 . 1 1 120 120 ASP HB3 H 1 2.886 0.020 . 2 . . . A 120 ASP HB3 . 18049 1 751 . 1 1 120 120 ASP CA C 13 50.685 0.400 . 1 . . . A 120 ASP CA . 18049 1 752 . 1 1 120 120 ASP CB C 13 40.199 0.400 . 1 . . . A 120 ASP CB . 18049 1 753 . 1 1 120 120 ASP N N 15 116.782 0.400 . 1 . . . A 120 ASP N . 18049 1 754 . 1 1 121 121 CYS H H 1 7.667 0.020 . 1 . . . A 121 CYS H . 18049 1 755 . 1 1 121 121 CYS HA H 1 4.780 0.020 . 1 . . . A 121 CYS HA . 18049 1 756 . 1 1 121 121 CYS HB2 H 1 3.010 0.020 . 2 . . . A 121 CYS HB2 . 18049 1 757 . 1 1 121 121 CYS HB3 H 1 3.440 0.020 . 2 . . . A 121 CYS HB3 . 18049 1 758 . 1 1 121 121 CYS CA C 13 56.067 0.400 . 1 . . . A 121 CYS CA . 18049 1 759 . 1 1 121 121 CYS CB C 13 28.200 0.400 . 1 . . . A 121 CYS CB . 18049 1 760 . 1 1 121 121 CYS N N 15 125.836 0.400 . 1 . . . A 121 CYS N . 18049 1 stop_ save_