data_11342 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11342 _Entry.Title ; Solution Structure of the RING domain of the human RING-box protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 11342 2 T. Tomizawa . . . 11342 3 S. Koshiba . . . 11342 4 S. Watanabe . . . 11342 5 T. Harada . . . 11342 6 T. Kigawa . . . 11342 7 S. Yokoyama . . . 11342 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11342 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11342 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 11342 '15N chemical shifts' 91 11342 '1H chemical shifts' 522 11342 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11342 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ECL 'BMRB Entry Tracking System' 11342 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11342 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the RING domain of the human RING-box protein 2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11342 1 2 T. Tomizawa . . . 11342 1 3 S. Koshiba . . . 11342 1 4 S. Watanabe . . . 11342 1 5 T. Harada . . . 11342 1 6 T. Kigawa . . . 11342 1 7 S. Yokoyama . . . 11342 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11342 _Assembly.ID 1 _Assembly.Name 'RING-box protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING domain' 1 $entity_1 A . yes native no no . . . 11342 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11342 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11342 1 4 'ZINC ION no.3' 2 $ZN D . no native no no . . . 11342 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'RING domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11342 1 2 coordination single . 1 'RING domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11342 1 3 coordination single . 1 'RING domain' 1 HIS 53 53 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 53 HIS ND1 . . . . ZN 11342 1 4 coordination single . 1 'RING domain' 1 CYS 56 56 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 56 CYS SG . . . . ZN 11342 1 5 coordination single . 1 'RING domain' 1 CYS 29 29 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 29 CYS SG . . . . ZN 11342 1 6 coordination single . 1 'RING domain' 1 CYS 32 32 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 32 CYS SG . . . . ZN 11342 1 7 coordination single . 1 'RING domain' 1 CYS 41 41 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11342 1 8 coordination single . 1 'RING domain' 1 CYS 55 55 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 55 CYS SG . . . . ZN 11342 1 9 coordination single . 1 'RING domain' 1 HIS 50 50 ND1 . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 50 HIS ND1 . . . . ZN 11342 1 10 coordination single . 1 'RING domain' 1 CYS 48 48 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 11342 1 11 coordination single . 1 'RING domain' 1 CYS 67 67 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 67 CYS SG . . . . ZN 11342 1 12 coordination single . 1 'RING domain' 1 CYS 70 70 SG . 4 'ZINC ION no.3' 2 ZN 1 1 ZN . . 70 CYS SG . . . . ZN 11342 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 67 67 HG . 67 CYS HG 11342 1 . . 1 1 CYS 70 70 HG . 70 CYS HG 11342 1 . . 1 1 HIS 50 50 HD1 . 50 HIS HD1 11342 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 11342 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11342 1 . . 1 1 CYS 55 55 HG . 55 CYS HG 11342 1 . . 1 1 CYS 29 29 HG . 29 CYS HG 11342 1 . . 1 1 CYS 32 32 HG . 32 CYS HG 11342 1 . . 1 1 HIS 53 53 HD1 . 53 HIS HD1 11342 1 . . 1 1 CYS 56 56 HG . 56 CYS HG 11342 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11342 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11342 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ecl . . . . . . 11342 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11342 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMWSWDVECDTCAI CRVQVMDACLRCQAENKQED CVVVWGECNHSFHNCCMSLW VKQNNRCPLCQQDWVVQRIG K ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2ECL . "Solution Structure Of The Ring Domain Of The Human Ring-Box Protein 2" . . . . . 100.00 81 100.00 100.00 6.43e-50 . . . . 11342 1 2 no DBJ BAB22666 . "unnamed protein product [Mus musculus]" . . . . . 92.59 113 98.67 98.67 1.14e-45 . . . . 11342 1 3 no DBJ BAE26843 . "unnamed protein product [Mus musculus]" . . . . . 92.59 113 98.67 98.67 1.14e-45 . . . . 11342 1 4 no DBJ BAG34921 . "unnamed protein product [Homo sapiens]" . . . . . 92.59 113 98.67 98.67 8.25e-46 . . . . 11342 1 5 no DBJ BAJ20342 . "ring finger protein 7 [synthetic construct]" . . . . . 92.59 113 98.67 98.67 8.07e-46 . . . . 11342 1 6 no EMBL CAF94886 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 92.59 110 98.67 98.67 4.73e-46 . . . . 11342 1 7 no EMBL CAG32193 . "hypothetical protein RCJMB04_19l23 [Gallus gallus]" . . . . . 92.59 114 98.67 98.67 1.03e-45 . . . . 11342 1 8 no EMBL CDQ67670 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 92.59 172 98.67 98.67 1.02e-46 . . . . 11342 1 9 no EMBL CDQ72674 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 92.59 110 98.67 98.67 6.15e-46 . . . . 11342 1 10 no GB AAD25961 . "zinc RING finger protein SAG [Mus musculus]" . . . . . 92.59 113 98.67 98.67 1.14e-45 . . . . 11342 1 11 no GB AAD25962 . "zinc RING finger protein SAG [Homo sapiens]" . . . . . 92.59 113 98.67 98.67 8.07e-46 . . . . 11342 1 12 no GB AAD30147 . "RING finger protein [Homo sapiens]" . . . . . 92.59 113 98.67 98.67 6.71e-46 . . . . 11342 1 13 no GB AAD55984 . "ring finger protein CKBBP1 [Homo sapiens]" . . . . . 92.59 113 98.67 98.67 8.07e-46 . . . . 11342 1 14 no GB AAH05966 . "Ring finger protein 7 [Homo sapiens]" . . . . . 92.59 113 98.67 98.67 8.07e-46 . . . . 11342 1 15 no REF NP_001012516 . "RING-box protein 2 [Danio rerio]" . . . . . 92.59 113 98.67 98.67 1.14e-45 . . . . 11342 1 16 no REF NP_001026478 . "RING-box protein 2 [Gallus gallus]" . . . . . 92.59 114 98.67 98.67 1.03e-45 . . . . 11342 1 17 no REF NP_001069188 . "RING-box protein 2 [Bos taurus]" . . . . . 92.59 113 98.67 98.67 9.93e-46 . . . . 11342 1 18 no REF NP_001100318 . "RING-box protein 2 [Rattus norvegicus]" . . . . . 92.59 113 98.67 98.67 1.14e-45 . . . . 11342 1 19 no REF NP_001134211 . "RING-box protein 2 [Salmo salar]" . . . . . 92.59 110 98.67 98.67 6.15e-46 . . . . 11342 1 20 no SP Q9UBF6 . "RecName: Full=RING-box protein 2; Short=Rbx2; AltName: Full=CKII beta-binding protein 1; Short=CKBBP1; AltName: Full=RING finge" . . . . . 92.59 113 98.67 98.67 8.07e-46 . . . . 11342 1 21 no SP Q9WTZ1 . "RecName: Full=RING-box protein 2; Short=Rbx2; AltName: Full=RING finger protein 7; AltName: Full=Sensitive to apoptosis gene pr" . . . . . 92.59 113 98.67 98.67 1.14e-45 . . . . 11342 1 22 no TPG DAA33088 . "TPA: ring finger protein 7 [Bos taurus]" . . . . . 92.59 113 98.67 98.67 9.93e-46 . . . . 11342 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11342 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11342 1 2 . SER . 11342 1 3 . SER . 11342 1 4 . GLY . 11342 1 5 . SER . 11342 1 6 . SER . 11342 1 7 . GLY . 11342 1 8 . MET . 11342 1 9 . TRP . 11342 1 10 . SER . 11342 1 11 . TRP . 11342 1 12 . ASP . 11342 1 13 . VAL . 11342 1 14 . GLU . 11342 1 15 . CYS . 11342 1 16 . ASP . 11342 1 17 . THR . 11342 1 18 . CYS . 11342 1 19 . ALA . 11342 1 20 . ILE . 11342 1 21 . CYS . 11342 1 22 . ARG . 11342 1 23 . VAL . 11342 1 24 . GLN . 11342 1 25 . VAL . 11342 1 26 . MET . 11342 1 27 . ASP . 11342 1 28 . ALA . 11342 1 29 . CYS . 11342 1 30 . LEU . 11342 1 31 . ARG . 11342 1 32 . CYS . 11342 1 33 . GLN . 11342 1 34 . ALA . 11342 1 35 . GLU . 11342 1 36 . ASN . 11342 1 37 . LYS . 11342 1 38 . GLN . 11342 1 39 . GLU . 11342 1 40 . ASP . 11342 1 41 . CYS . 11342 1 42 . VAL . 11342 1 43 . VAL . 11342 1 44 . VAL . 11342 1 45 . TRP . 11342 1 46 . GLY . 11342 1 47 . GLU . 11342 1 48 . CYS . 11342 1 49 . ASN . 11342 1 50 . HIS . 11342 1 51 . SER . 11342 1 52 . PHE . 11342 1 53 . HIS . 11342 1 54 . ASN . 11342 1 55 . CYS . 11342 1 56 . CYS . 11342 1 57 . MET . 11342 1 58 . SER . 11342 1 59 . LEU . 11342 1 60 . TRP . 11342 1 61 . VAL . 11342 1 62 . LYS . 11342 1 63 . GLN . 11342 1 64 . ASN . 11342 1 65 . ASN . 11342 1 66 . ARG . 11342 1 67 . CYS . 11342 1 68 . PRO . 11342 1 69 . LEU . 11342 1 70 . CYS . 11342 1 71 . GLN . 11342 1 72 . GLN . 11342 1 73 . ASP . 11342 1 74 . TRP . 11342 1 75 . VAL . 11342 1 76 . VAL . 11342 1 77 . GLN . 11342 1 78 . ARG . 11342 1 79 . ILE . 11342 1 80 . GLY . 11342 1 81 . LYS . 11342 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11342 1 . SER 2 2 11342 1 . SER 3 3 11342 1 . GLY 4 4 11342 1 . SER 5 5 11342 1 . SER 6 6 11342 1 . GLY 7 7 11342 1 . MET 8 8 11342 1 . TRP 9 9 11342 1 . SER 10 10 11342 1 . TRP 11 11 11342 1 . ASP 12 12 11342 1 . VAL 13 13 11342 1 . GLU 14 14 11342 1 . CYS 15 15 11342 1 . ASP 16 16 11342 1 . THR 17 17 11342 1 . CYS 18 18 11342 1 . ALA 19 19 11342 1 . ILE 20 20 11342 1 . CYS 21 21 11342 1 . ARG 22 22 11342 1 . VAL 23 23 11342 1 . GLN 24 24 11342 1 . VAL 25 25 11342 1 . MET 26 26 11342 1 . ASP 27 27 11342 1 . ALA 28 28 11342 1 . CYS 29 29 11342 1 . LEU 30 30 11342 1 . ARG 31 31 11342 1 . CYS 32 32 11342 1 . GLN 33 33 11342 1 . ALA 34 34 11342 1 . GLU 35 35 11342 1 . ASN 36 36 11342 1 . LYS 37 37 11342 1 . GLN 38 38 11342 1 . GLU 39 39 11342 1 . ASP 40 40 11342 1 . CYS 41 41 11342 1 . VAL 42 42 11342 1 . VAL 43 43 11342 1 . VAL 44 44 11342 1 . TRP 45 45 11342 1 . GLY 46 46 11342 1 . GLU 47 47 11342 1 . CYS 48 48 11342 1 . ASN 49 49 11342 1 . HIS 50 50 11342 1 . SER 51 51 11342 1 . PHE 52 52 11342 1 . HIS 53 53 11342 1 . ASN 54 54 11342 1 . CYS 55 55 11342 1 . CYS 56 56 11342 1 . MET 57 57 11342 1 . SER 58 58 11342 1 . LEU 59 59 11342 1 . TRP 60 60 11342 1 . VAL 61 61 11342 1 . LYS 62 62 11342 1 . GLN 63 63 11342 1 . ASN 64 64 11342 1 . ASN 65 65 11342 1 . ARG 66 66 11342 1 . CYS 67 67 11342 1 . PRO 68 68 11342 1 . LEU 69 69 11342 1 . CYS 70 70 11342 1 . GLN 71 71 11342 1 . GLN 72 72 11342 1 . ASP 73 73 11342 1 . TRP 74 74 11342 1 . VAL 75 75 11342 1 . VAL 76 76 11342 1 . GLN 77 77 11342 1 . ARG 78 78 11342 1 . ILE 79 79 11342 1 . GLY 80 80 11342 1 . LYS 81 81 11342 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11342 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11342 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 11342 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11342 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 11342 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060828-18 . . . . . . 11342 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 11342 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11342 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11342 ZN [Zn++] SMILES CACTVS 3.341 11342 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11342 ZN [Zn+2] SMILES ACDLabs 10.04 11342 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11342 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11342 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 11342 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11342 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11342 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11342 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.11mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.11 . . mM . . . . 11342 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11342 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11342 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11342 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11342 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11342 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11342 1 8 H2O . . . . . . solvent 90 . . % . . . . 11342 1 9 D2O . . . . . . solvent 10 . . % . . . . 11342 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11342 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11342 1 pH 7.0 0.05 pH 11342 1 pressure 1 0.001 atm 11342 1 temperature 296 0.1 K 11342 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11342 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11342 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11342 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11342 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11342 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11342 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11342 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11342 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11342 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11342 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11342 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11342 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11342 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11342 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11342 5 'structure solution' 11342 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11342 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _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 11342 _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 II' . 900 . . . 11342 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 11342 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11342 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11342 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11342 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11342 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11342 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11342 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11342 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11342 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11342 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 11342 1 2 $NMRPipe . . 11342 1 3 $NMRView . . 11342 1 4 $Kujira . . 11342 1 5 $CYANA . . 11342 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.441 0.030 . 1 . . . . 6 SER HA . 11342 1 2 . 1 1 6 6 SER HB2 H 1 3.878 0.030 . 1 . . . . 6 SER HB2 . 11342 1 3 . 1 1 6 6 SER HB3 H 1 3.878 0.030 . 1 . . . . 6 SER HB3 . 11342 1 4 . 1 1 6 6 SER C C 13 175.005 0.300 . 1 . . . . 6 SER C . 11342 1 5 . 1 1 6 6 SER CA C 13 58.711 0.300 . 1 . . . . 6 SER CA . 11342 1 6 . 1 1 6 6 SER CB C 13 63.730 0.300 . 1 . . . . 6 SER CB . 11342 1 7 . 1 1 7 7 GLY H H 1 8.327 0.030 . 1 . . . . 7 GLY H . 11342 1 8 . 1 1 7 7 GLY HA2 H 1 3.893 0.030 . 1 . . . . 7 GLY HA2 . 11342 1 9 . 1 1 7 7 GLY HA3 H 1 3.893 0.030 . 1 . . . . 7 GLY HA3 . 11342 1 10 . 1 1 7 7 GLY C C 13 174.008 0.300 . 1 . . . . 7 GLY C . 11342 1 11 . 1 1 7 7 GLY CA C 13 45.360 0.300 . 1 . . . . 7 GLY CA . 11342 1 12 . 1 1 7 7 GLY N N 15 110.531 0.300 . 1 . . . . 7 GLY N . 11342 1 13 . 1 1 8 8 MET H H 1 8.042 0.030 . 1 . . . . 8 MET H . 11342 1 14 . 1 1 8 8 MET HA H 1 4.336 0.030 . 1 . . . . 8 MET HA . 11342 1 15 . 1 1 8 8 MET HB2 H 1 1.804 0.030 . 2 . . . . 8 MET HB2 . 11342 1 16 . 1 1 8 8 MET HB3 H 1 1.866 0.030 . 2 . . . . 8 MET HB3 . 11342 1 17 . 1 1 8 8 MET HE1 H 1 1.991 0.030 . 1 . . . . 8 MET HE . 11342 1 18 . 1 1 8 8 MET HE2 H 1 1.991 0.030 . 1 . . . . 8 MET HE . 11342 1 19 . 1 1 8 8 MET HE3 H 1 1.991 0.030 . 1 . . . . 8 MET HE . 11342 1 20 . 1 1 8 8 MET HG2 H 1 2.358 0.030 . 2 . . . . 8 MET HG2 . 11342 1 21 . 1 1 8 8 MET HG3 H 1 2.316 0.030 . 2 . . . . 8 MET HG3 . 11342 1 22 . 1 1 8 8 MET C C 13 175.719 0.300 . 1 . . . . 8 MET C . 11342 1 23 . 1 1 8 8 MET CA C 13 55.582 0.300 . 1 . . . . 8 MET CA . 11342 1 24 . 1 1 8 8 MET CB C 13 32.786 0.300 . 1 . . . . 8 MET CB . 11342 1 25 . 1 1 8 8 MET CE C 13 16.946 0.300 . 1 . . . . 8 MET CE . 11342 1 26 . 1 1 8 8 MET CG C 13 31.799 0.300 . 1 . . . . 8 MET CG . 11342 1 27 . 1 1 8 8 MET N N 15 119.655 0.300 . 1 . . . . 8 MET N . 11342 1 28 . 1 1 9 9 TRP H H 1 8.143 0.030 . 1 . . . . 9 TRP H . 11342 1 29 . 1 1 9 9 TRP HA H 1 4.601 0.030 . 1 . . . . 9 TRP HA . 11342 1 30 . 1 1 9 9 TRP HB2 H 1 3.068 0.030 . 1 . . . . 9 TRP HB2 . 11342 1 31 . 1 1 9 9 TRP HB3 H 1 3.068 0.030 . 1 . . . . 9 TRP HB3 . 11342 1 32 . 1 1 9 9 TRP HD1 H 1 7.012 0.030 . 1 . . . . 9 TRP HD1 . 11342 1 33 . 1 1 9 9 TRP HE1 H 1 9.846 0.030 . 1 . . . . 9 TRP HE1 . 11342 1 34 . 1 1 9 9 TRP HE3 H 1 7.544 0.030 . 1 . . . . 9 TRP HE3 . 11342 1 35 . 1 1 9 9 TRP HH2 H 1 7.118 0.030 . 1 . . . . 9 TRP HH2 . 11342 1 36 . 1 1 9 9 TRP HZ2 H 1 7.381 0.030 . 1 . . . . 9 TRP HZ2 . 11342 1 37 . 1 1 9 9 TRP HZ3 H 1 7.060 0.030 . 1 . . . . 9 TRP HZ3 . 11342 1 38 . 1 1 9 9 TRP C C 13 175.894 0.300 . 1 . . . . 9 TRP C . 11342 1 39 . 1 1 9 9 TRP CA C 13 57.104 0.300 . 1 . . . . 9 TRP CA . 11342 1 40 . 1 1 9 9 TRP CB C 13 29.650 0.300 . 1 . . . . 9 TRP CB . 11342 1 41 . 1 1 9 9 TRP CD1 C 13 126.973 0.300 . 1 . . . . 9 TRP CD1 . 11342 1 42 . 1 1 9 9 TRP CE3 C 13 120.894 0.300 . 1 . . . . 9 TRP CE3 . 11342 1 43 . 1 1 9 9 TRP CH2 C 13 124.509 0.300 . 1 . . . . 9 TRP CH2 . 11342 1 44 . 1 1 9 9 TRP CZ2 C 13 114.549 0.300 . 1 . . . . 9 TRP CZ2 . 11342 1 45 . 1 1 9 9 TRP CZ3 C 13 121.978 0.300 . 1 . . . . 9 TRP CZ3 . 11342 1 46 . 1 1 9 9 TRP N N 15 122.168 0.300 . 1 . . . . 9 TRP N . 11342 1 47 . 1 1 9 9 TRP NE1 N 15 129.027 0.300 . 1 . . . . 9 TRP NE1 . 11342 1 48 . 1 1 10 10 SER H H 1 7.784 0.030 . 1 . . . . 10 SER H . 11342 1 49 . 1 1 10 10 SER HA H 1 4.324 0.030 . 1 . . . . 10 SER HA . 11342 1 50 . 1 1 10 10 SER HB2 H 1 3.590 0.030 . 2 . . . . 10 SER HB2 . 11342 1 51 . 1 1 10 10 SER HB3 H 1 3.638 0.030 . 2 . . . . 10 SER HB3 . 11342 1 52 . 1 1 10 10 SER C C 13 173.745 0.300 . 1 . . . . 10 SER C . 11342 1 53 . 1 1 10 10 SER CA C 13 58.032 0.300 . 1 . . . . 10 SER CA . 11342 1 54 . 1 1 10 10 SER CB C 13 63.886 0.300 . 1 . . . . 10 SER CB . 11342 1 55 . 1 1 10 10 SER N N 15 117.396 0.300 . 1 . . . . 10 SER N . 11342 1 56 . 1 1 11 11 TRP H H 1 7.791 0.030 . 1 . . . . 11 TRP H . 11342 1 57 . 1 1 11 11 TRP HA H 1 4.579 0.030 . 1 . . . . 11 TRP HA . 11342 1 58 . 1 1 11 11 TRP HB2 H 1 3.109 0.030 . 2 . . . . 11 TRP HB2 . 11342 1 59 . 1 1 11 11 TRP HB3 H 1 3.279 0.030 . 2 . . . . 11 TRP HB3 . 11342 1 60 . 1 1 11 11 TRP HD1 H 1 7.126 0.030 . 1 . . . . 11 TRP HD1 . 11342 1 61 . 1 1 11 11 TRP HE1 H 1 10.032 0.030 . 1 . . . . 11 TRP HE1 . 11342 1 62 . 1 1 11 11 TRP HE3 H 1 7.476 0.030 . 1 . . . . 11 TRP HE3 . 11342 1 63 . 1 1 11 11 TRP HH2 H 1 7.114 0.030 . 1 . . . . 11 TRP HH2 . 11342 1 64 . 1 1 11 11 TRP HZ2 H 1 7.379 0.030 . 1 . . . . 11 TRP HZ2 . 11342 1 65 . 1 1 11 11 TRP HZ3 H 1 7.058 0.030 . 1 . . . . 11 TRP HZ3 . 11342 1 66 . 1 1 11 11 TRP C C 13 175.605 0.300 . 1 . . . . 11 TRP C . 11342 1 67 . 1 1 11 11 TRP CA C 13 57.273 0.300 . 1 . . . . 11 TRP CA . 11342 1 68 . 1 1 11 11 TRP CB C 13 29.750 0.300 . 1 . . . . 11 TRP CB . 11342 1 69 . 1 1 11 11 TRP CD1 C 13 127.206 0.300 . 1 . . . . 11 TRP CD1 . 11342 1 70 . 1 1 11 11 TRP CE3 C 13 120.597 0.300 . 1 . . . . 11 TRP CE3 . 11342 1 71 . 1 1 11 11 TRP CH2 C 13 124.495 0.300 . 1 . . . . 11 TRP CH2 . 11342 1 72 . 1 1 11 11 TRP CZ2 C 13 114.654 0.300 . 1 . . . . 11 TRP CZ2 . 11342 1 73 . 1 1 11 11 TRP CZ3 C 13 121.916 0.300 . 1 . . . . 11 TRP CZ3 . 11342 1 74 . 1 1 11 11 TRP N N 15 122.282 0.300 . 1 . . . . 11 TRP N . 11342 1 75 . 1 1 11 11 TRP NE1 N 15 129.422 0.300 . 1 . . . . 11 TRP NE1 . 11342 1 76 . 1 1 12 12 ASP H H 1 8.208 0.030 . 1 . . . . 12 ASP H . 11342 1 77 . 1 1 12 12 ASP HA H 1 4.566 0.030 . 1 . . . . 12 ASP HA . 11342 1 78 . 1 1 12 12 ASP HB2 H 1 2.572 0.030 . 2 . . . . 12 ASP HB2 . 11342 1 79 . 1 1 12 12 ASP HB3 H 1 2.509 0.030 . 2 . . . . 12 ASP HB3 . 11342 1 80 . 1 1 12 12 ASP C C 13 175.949 0.300 . 1 . . . . 12 ASP C . 11342 1 81 . 1 1 12 12 ASP CA C 13 54.396 0.300 . 1 . . . . 12 ASP CA . 11342 1 82 . 1 1 12 12 ASP CB C 13 40.981 0.300 . 1 . . . . 12 ASP CB . 11342 1 83 . 1 1 12 12 ASP N N 15 121.001 0.300 . 1 . . . . 12 ASP N . 11342 1 84 . 1 1 13 13 VAL H H 1 7.778 0.030 . 1 . . . . 13 VAL H . 11342 1 85 . 1 1 13 13 VAL HA H 1 4.126 0.030 . 1 . . . . 13 VAL HA . 11342 1 86 . 1 1 13 13 VAL HB H 1 2.056 0.030 . 1 . . . . 13 VAL HB . 11342 1 87 . 1 1 13 13 VAL HG11 H 1 0.886 0.030 . 1 . . . . 13 VAL HG1 . 11342 1 88 . 1 1 13 13 VAL HG12 H 1 0.886 0.030 . 1 . . . . 13 VAL HG1 . 11342 1 89 . 1 1 13 13 VAL HG13 H 1 0.886 0.030 . 1 . . . . 13 VAL HG1 . 11342 1 90 . 1 1 13 13 VAL HG21 H 1 0.865 0.030 . 1 . . . . 13 VAL HG2 . 11342 1 91 . 1 1 13 13 VAL HG22 H 1 0.865 0.030 . 1 . . . . 13 VAL HG2 . 11342 1 92 . 1 1 13 13 VAL HG23 H 1 0.865 0.030 . 1 . . . . 13 VAL HG2 . 11342 1 93 . 1 1 13 13 VAL C C 13 176.018 0.300 . 1 . . . . 13 VAL C . 11342 1 94 . 1 1 13 13 VAL CA C 13 61.948 0.300 . 1 . . . . 13 VAL CA . 11342 1 95 . 1 1 13 13 VAL CB C 13 33.078 0.300 . 1 . . . . 13 VAL CB . 11342 1 96 . 1 1 13 13 VAL CG1 C 13 21.634 0.300 . 2 . . . . 13 VAL CG1 . 11342 1 97 . 1 1 13 13 VAL CG2 C 13 20.357 0.300 . 2 . . . . 13 VAL CG2 . 11342 1 98 . 1 1 13 13 VAL N N 15 118.749 0.300 . 1 . . . . 13 VAL N . 11342 1 99 . 1 1 14 14 GLU H H 1 8.438 0.030 . 1 . . . . 14 GLU H . 11342 1 100 . 1 1 14 14 GLU HA H 1 4.316 0.030 . 1 . . . . 14 GLU HA . 11342 1 101 . 1 1 14 14 GLU HB2 H 1 2.098 0.030 . 2 . . . . 14 GLU HB2 . 11342 1 102 . 1 1 14 14 GLU HB3 H 1 1.952 0.030 . 2 . . . . 14 GLU HB3 . 11342 1 103 . 1 1 14 14 GLU HG2 H 1 2.269 0.030 . 2 . . . . 14 GLU HG2 . 11342 1 104 . 1 1 14 14 GLU HG3 H 1 2.311 0.030 . 2 . . . . 14 GLU HG3 . 11342 1 105 . 1 1 14 14 GLU C C 13 176.896 0.300 . 1 . . . . 14 GLU C . 11342 1 106 . 1 1 14 14 GLU CA C 13 56.669 0.300 . 1 . . . . 14 GLU CA . 11342 1 107 . 1 1 14 14 GLU CB C 13 30.230 0.300 . 1 . . . . 14 GLU CB . 11342 1 108 . 1 1 14 14 GLU CG C 13 36.428 0.300 . 1 . . . . 14 GLU CG . 11342 1 109 . 1 1 14 14 GLU N N 15 123.530 0.300 . 1 . . . . 14 GLU N . 11342 1 110 . 1 1 15 15 CYS H H 1 8.314 0.030 . 1 . . . . 15 CYS H . 11342 1 111 . 1 1 15 15 CYS HA H 1 4.327 0.030 . 1 . . . . 15 CYS HA . 11342 1 112 . 1 1 15 15 CYS HB2 H 1 2.832 0.030 . 1 . . . . 15 CYS HB2 . 11342 1 113 . 1 1 15 15 CYS HB3 H 1 2.832 0.030 . 1 . . . . 15 CYS HB3 . 11342 1 114 . 1 1 15 15 CYS C C 13 174.184 0.300 . 1 . . . . 15 CYS C . 11342 1 115 . 1 1 15 15 CYS CA C 13 59.090 0.300 . 1 . . . . 15 CYS CA . 11342 1 116 . 1 1 15 15 CYS CB C 13 27.973 0.300 . 1 . . . . 15 CYS CB . 11342 1 117 . 1 1 15 15 CYS N N 15 119.114 0.300 . 1 . . . . 15 CYS N . 11342 1 118 . 1 1 16 16 ASP H H 1 8.317 0.030 . 1 . . . . 16 ASP H . 11342 1 119 . 1 1 16 16 ASP HA H 1 4.566 0.030 . 1 . . . . 16 ASP HA . 11342 1 120 . 1 1 16 16 ASP HB2 H 1 2.742 0.030 . 2 . . . . 16 ASP HB2 . 11342 1 121 . 1 1 16 16 ASP HB3 H 1 2.696 0.030 . 2 . . . . 16 ASP HB3 . 11342 1 122 . 1 1 16 16 ASP C C 13 176.248 0.300 . 1 . . . . 16 ASP C . 11342 1 123 . 1 1 16 16 ASP CA C 13 54.601 0.300 . 1 . . . . 16 ASP CA . 11342 1 124 . 1 1 16 16 ASP CB C 13 40.716 0.300 . 1 . . . . 16 ASP CB . 11342 1 125 . 1 1 16 16 ASP N N 15 121.016 0.300 . 1 . . . . 16 ASP N . 11342 1 126 . 1 1 17 17 THR H H 1 8.066 0.030 . 1 . . . . 17 THR H . 11342 1 127 . 1 1 17 17 THR HA H 1 4.177 0.030 . 1 . . . . 17 THR HA . 11342 1 128 . 1 1 17 17 THR HB H 1 3.754 0.030 . 1 . . . . 17 THR HB . 11342 1 129 . 1 1 17 17 THR HG21 H 1 0.890 0.030 . 1 . . . . 17 THR HG2 . 11342 1 130 . 1 1 17 17 THR HG22 H 1 0.890 0.030 . 1 . . . . 17 THR HG2 . 11342 1 131 . 1 1 17 17 THR HG23 H 1 0.890 0.030 . 1 . . . . 17 THR HG2 . 11342 1 132 . 1 1 17 17 THR C C 13 173.239 0.300 . 1 . . . . 17 THR C . 11342 1 133 . 1 1 17 17 THR CA C 13 62.022 0.300 . 1 . . . . 17 THR CA . 11342 1 134 . 1 1 17 17 THR CB C 13 70.835 0.300 . 1 . . . . 17 THR CB . 11342 1 135 . 1 1 17 17 THR CG2 C 13 21.700 0.300 . 1 . . . . 17 THR CG2 . 11342 1 136 . 1 1 17 17 THR N N 15 115.390 0.300 . 1 . . . . 17 THR N . 11342 1 137 . 1 1 18 18 CYS H H 1 8.412 0.030 . 1 . . . . 18 CYS H . 11342 1 138 . 1 1 18 18 CYS HA H 1 4.217 0.030 . 1 . . . . 18 CYS HA . 11342 1 139 . 1 1 18 18 CYS HB2 H 1 2.260 0.030 . 2 . . . . 18 CYS HB2 . 11342 1 140 . 1 1 18 18 CYS HB3 H 1 3.720 0.030 . 2 . . . . 18 CYS HB3 . 11342 1 141 . 1 1 18 18 CYS C C 13 177.133 0.300 . 1 . . . . 18 CYS C . 11342 1 142 . 1 1 18 18 CYS CA C 13 59.259 0.300 . 1 . . . . 18 CYS CA . 11342 1 143 . 1 1 18 18 CYS CB C 13 30.839 0.300 . 1 . . . . 18 CYS CB . 11342 1 144 . 1 1 18 18 CYS N N 15 127.684 0.300 . 1 . . . . 18 CYS N . 11342 1 145 . 1 1 19 19 ALA H H 1 9.431 0.030 . 1 . . . . 19 ALA H . 11342 1 146 . 1 1 19 19 ALA HA H 1 4.045 0.030 . 1 . . . . 19 ALA HA . 11342 1 147 . 1 1 19 19 ALA HB1 H 1 1.395 0.030 . 1 . . . . 19 ALA HB . 11342 1 148 . 1 1 19 19 ALA HB2 H 1 1.395 0.030 . 1 . . . . 19 ALA HB . 11342 1 149 . 1 1 19 19 ALA HB3 H 1 1.395 0.030 . 1 . . . . 19 ALA HB . 11342 1 150 . 1 1 19 19 ALA C C 13 177.571 0.300 . 1 . . . . 19 ALA C . 11342 1 151 . 1 1 19 19 ALA CA C 13 54.217 0.300 . 1 . . . . 19 ALA CA . 11342 1 152 . 1 1 19 19 ALA CB C 13 19.597 0.300 . 1 . . . . 19 ALA CB . 11342 1 153 . 1 1 19 19 ALA N N 15 132.770 0.300 . 1 . . . . 19 ALA N . 11342 1 154 . 1 1 20 20 ILE H H 1 8.012 0.030 . 1 . . . . 20 ILE H . 11342 1 155 . 1 1 20 20 ILE HA H 1 3.743 0.030 . 1 . . . . 20 ILE HA . 11342 1 156 . 1 1 20 20 ILE HB H 1 1.783 0.030 . 1 . . . . 20 ILE HB . 11342 1 157 . 1 1 20 20 ILE HD11 H 1 0.158 0.030 . 1 . . . . 20 ILE HD1 . 11342 1 158 . 1 1 20 20 ILE HD12 H 1 0.158 0.030 . 1 . . . . 20 ILE HD1 . 11342 1 159 . 1 1 20 20 ILE HD13 H 1 0.158 0.030 . 1 . . . . 20 ILE HD1 . 11342 1 160 . 1 1 20 20 ILE HG12 H 1 1.117 0.030 . 2 . . . . 20 ILE HG12 . 11342 1 161 . 1 1 20 20 ILE HG13 H 1 0.338 0.030 . 2 . . . . 20 ILE HG13 . 11342 1 162 . 1 1 20 20 ILE HG21 H 1 1.001 0.030 . 1 . . . . 20 ILE HG2 . 11342 1 163 . 1 1 20 20 ILE HG22 H 1 1.001 0.030 . 1 . . . . 20 ILE HG2 . 11342 1 164 . 1 1 20 20 ILE HG23 H 1 1.001 0.030 . 1 . . . . 20 ILE HG2 . 11342 1 165 . 1 1 20 20 ILE C C 13 176.483 0.300 . 1 . . . . 20 ILE C . 11342 1 166 . 1 1 20 20 ILE CA C 13 64.443 0.300 . 1 . . . . 20 ILE CA . 11342 1 167 . 1 1 20 20 ILE CB C 13 38.500 0.300 . 1 . . . . 20 ILE CB . 11342 1 168 . 1 1 20 20 ILE CD1 C 13 13.492 0.300 . 1 . . . . 20 ILE CD1 . 11342 1 169 . 1 1 20 20 ILE CG1 C 13 28.238 0.300 . 1 . . . . 20 ILE CG1 . 11342 1 170 . 1 1 20 20 ILE CG2 C 13 17.072 0.300 . 1 . . . . 20 ILE CG2 . 11342 1 171 . 1 1 20 20 ILE N N 15 115.776 0.300 . 1 . . . . 20 ILE N . 11342 1 172 . 1 1 21 21 CYS H H 1 7.528 0.030 . 1 . . . . 21 CYS H . 11342 1 173 . 1 1 21 21 CYS HA H 1 4.993 0.030 . 1 . . . . 21 CYS HA . 11342 1 174 . 1 1 21 21 CYS HB2 H 1 3.111 0.030 . 2 . . . . 21 CYS HB2 . 11342 1 175 . 1 1 21 21 CYS HB3 H 1 3.288 0.030 . 2 . . . . 21 CYS HB3 . 11342 1 176 . 1 1 21 21 CYS C C 13 175.678 0.300 . 1 . . . . 21 CYS C . 11342 1 177 . 1 1 21 21 CYS CA C 13 58.582 0.300 . 1 . . . . 21 CYS CA . 11342 1 178 . 1 1 21 21 CYS CB C 13 33.106 0.300 . 1 . . . . 21 CYS CB . 11342 1 179 . 1 1 21 21 CYS N N 15 116.320 0.300 . 1 . . . . 21 CYS N . 11342 1 180 . 1 1 22 22 ARG H H 1 8.599 0.030 . 1 . . . . 22 ARG H . 11342 1 181 . 1 1 22 22 ARG HA H 1 3.754 0.030 . 1 . . . . 22 ARG HA . 11342 1 182 . 1 1 22 22 ARG HB2 H 1 2.048 0.030 . 2 . . . . 22 ARG HB2 . 11342 1 183 . 1 1 22 22 ARG HB3 H 1 2.206 0.030 . 2 . . . . 22 ARG HB3 . 11342 1 184 . 1 1 22 22 ARG HD2 H 1 3.031 0.030 . 1 . . . . 22 ARG HD2 . 11342 1 185 . 1 1 22 22 ARG HD3 H 1 3.031 0.030 . 1 . . . . 22 ARG HD3 . 11342 1 186 . 1 1 22 22 ARG HG2 H 1 1.375 0.030 . 2 . . . . 22 ARG HG2 . 11342 1 187 . 1 1 22 22 ARG HG3 H 1 1.502 0.030 . 2 . . . . 22 ARG HG3 . 11342 1 188 . 1 1 22 22 ARG C C 13 174.660 0.300 . 1 . . . . 22 ARG C . 11342 1 189 . 1 1 22 22 ARG CA C 13 58.241 0.300 . 1 . . . . 22 ARG CA . 11342 1 190 . 1 1 22 22 ARG CB C 13 26.269 0.300 . 1 . . . . 22 ARG CB . 11342 1 191 . 1 1 22 22 ARG CD C 13 43.006 0.300 . 1 . . . . 22 ARG CD . 11342 1 192 . 1 1 22 22 ARG CG C 13 27.593 0.300 . 1 . . . . 22 ARG CG . 11342 1 193 . 1 1 22 22 ARG N N 15 117.031 0.300 . 1 . . . . 22 ARG N . 11342 1 194 . 1 1 23 23 VAL H H 1 8.515 0.030 . 1 . . . . 23 VAL H . 11342 1 195 . 1 1 23 23 VAL HA H 1 4.314 0.030 . 1 . . . . 23 VAL HA . 11342 1 196 . 1 1 23 23 VAL HB H 1 2.509 0.030 . 1 . . . . 23 VAL HB . 11342 1 197 . 1 1 23 23 VAL HG11 H 1 1.209 0.030 . 1 . . . . 23 VAL HG1 . 11342 1 198 . 1 1 23 23 VAL HG12 H 1 1.209 0.030 . 1 . . . . 23 VAL HG1 . 11342 1 199 . 1 1 23 23 VAL HG13 H 1 1.209 0.030 . 1 . . . . 23 VAL HG1 . 11342 1 200 . 1 1 23 23 VAL HG21 H 1 1.039 0.030 . 1 . . . . 23 VAL HG2 . 11342 1 201 . 1 1 23 23 VAL HG22 H 1 1.039 0.030 . 1 . . . . 23 VAL HG2 . 11342 1 202 . 1 1 23 23 VAL HG23 H 1 1.039 0.030 . 1 . . . . 23 VAL HG2 . 11342 1 203 . 1 1 23 23 VAL C C 13 176.160 0.300 . 1 . . . . 23 VAL C . 11342 1 204 . 1 1 23 23 VAL CA C 13 62.003 0.300 . 1 . . . . 23 VAL CA . 11342 1 205 . 1 1 23 23 VAL CB C 13 33.267 0.300 . 1 . . . . 23 VAL CB . 11342 1 206 . 1 1 23 23 VAL CG1 C 13 20.790 0.300 . 2 . . . . 23 VAL CG1 . 11342 1 207 . 1 1 23 23 VAL CG2 C 13 22.932 0.300 . 2 . . . . 23 VAL CG2 . 11342 1 208 . 1 1 23 23 VAL N N 15 123.265 0.300 . 1 . . . . 23 VAL N . 11342 1 209 . 1 1 24 24 GLN H H 1 8.622 0.030 . 1 . . . . 24 GLN H . 11342 1 210 . 1 1 24 24 GLN HA H 1 4.213 0.030 . 1 . . . . 24 GLN HA . 11342 1 211 . 1 1 24 24 GLN HB2 H 1 2.065 0.030 . 2 . . . . 24 GLN HB2 . 11342 1 212 . 1 1 24 24 GLN HB3 H 1 2.151 0.030 . 2 . . . . 24 GLN HB3 . 11342 1 213 . 1 1 24 24 GLN HE21 H 1 6.780 0.030 . 2 . . . . 24 GLN HE21 . 11342 1 214 . 1 1 24 24 GLN HE22 H 1 7.588 0.030 . 2 . . . . 24 GLN HE22 . 11342 1 215 . 1 1 24 24 GLN HG2 H 1 2.473 0.030 . 2 . . . . 24 GLN HG2 . 11342 1 216 . 1 1 24 24 GLN HG3 H 1 2.371 0.030 . 2 . . . . 24 GLN HG3 . 11342 1 217 . 1 1 24 24 GLN C C 13 177.495 0.300 . 1 . . . . 24 GLN C . 11342 1 218 . 1 1 24 24 GLN CA C 13 57.962 0.300 . 1 . . . . 24 GLN CA . 11342 1 219 . 1 1 24 24 GLN CB C 13 29.031 0.300 . 1 . . . . 24 GLN CB . 11342 1 220 . 1 1 24 24 GLN CG C 13 35.028 0.300 . 1 . . . . 24 GLN CG . 11342 1 221 . 1 1 24 24 GLN N N 15 125.907 0.300 . 1 . . . . 24 GLN N . 11342 1 222 . 1 1 24 24 GLN NE2 N 15 112.857 0.300 . 1 . . . . 24 GLN NE2 . 11342 1 223 . 1 1 25 25 VAL H H 1 8.169 0.030 . 1 . . . . 25 VAL H . 11342 1 224 . 1 1 25 25 VAL HA H 1 3.068 0.030 . 1 . . . . 25 VAL HA . 11342 1 225 . 1 1 25 25 VAL HB H 1 1.542 0.030 . 1 . . . . 25 VAL HB . 11342 1 226 . 1 1 25 25 VAL HG11 H 1 0.460 0.030 . 1 . . . . 25 VAL HG1 . 11342 1 227 . 1 1 25 25 VAL HG12 H 1 0.460 0.030 . 1 . . . . 25 VAL HG1 . 11342 1 228 . 1 1 25 25 VAL HG13 H 1 0.460 0.030 . 1 . . . . 25 VAL HG1 . 11342 1 229 . 1 1 25 25 VAL HG21 H 1 0.485 0.030 . 1 . . . . 25 VAL HG2 . 11342 1 230 . 1 1 25 25 VAL HG22 H 1 0.485 0.030 . 1 . . . . 25 VAL HG2 . 11342 1 231 . 1 1 25 25 VAL HG23 H 1 0.485 0.030 . 1 . . . . 25 VAL HG2 . 11342 1 232 . 1 1 25 25 VAL C C 13 174.177 0.300 . 1 . . . . 25 VAL C . 11342 1 233 . 1 1 25 25 VAL CA C 13 64.750 0.300 . 1 . . . . 25 VAL CA . 11342 1 234 . 1 1 25 25 VAL CB C 13 31.767 0.300 . 1 . . . . 25 VAL CB . 11342 1 235 . 1 1 25 25 VAL CG1 C 13 20.762 0.300 . 2 . . . . 25 VAL CG1 . 11342 1 236 . 1 1 25 25 VAL CG2 C 13 21.242 0.300 . 2 . . . . 25 VAL CG2 . 11342 1 237 . 1 1 25 25 VAL N N 15 120.983 0.300 . 1 . . . . 25 VAL N . 11342 1 238 . 1 1 26 26 MET H H 1 7.667 0.030 . 1 . . . . 26 MET H . 11342 1 239 . 1 1 26 26 MET HA H 1 4.379 0.030 . 1 . . . . 26 MET HA . 11342 1 240 . 1 1 26 26 MET HB2 H 1 1.974 0.030 . 2 . . . . 26 MET HB2 . 11342 1 241 . 1 1 26 26 MET HB3 H 1 2.144 0.030 . 2 . . . . 26 MET HB3 . 11342 1 242 . 1 1 26 26 MET HE1 H 1 2.167 0.030 . 1 . . . . 26 MET HE . 11342 1 243 . 1 1 26 26 MET HE2 H 1 2.167 0.030 . 1 . . . . 26 MET HE . 11342 1 244 . 1 1 26 26 MET HE3 H 1 2.167 0.030 . 1 . . . . 26 MET HE . 11342 1 245 . 1 1 26 26 MET HG2 H 1 2.491 0.030 . 2 . . . . 26 MET HG2 . 11342 1 246 . 1 1 26 26 MET HG3 H 1 2.697 0.030 . 2 . . . . 26 MET HG3 . 11342 1 247 . 1 1 26 26 MET C C 13 176.850 0.300 . 1 . . . . 26 MET C . 11342 1 248 . 1 1 26 26 MET CA C 13 55.352 0.300 . 1 . . . . 26 MET CA . 11342 1 249 . 1 1 26 26 MET CB C 13 31.274 0.300 . 1 . . . . 26 MET CB . 11342 1 250 . 1 1 26 26 MET CE C 13 17.133 0.300 . 1 . . . . 26 MET CE . 11342 1 251 . 1 1 26 26 MET CG C 13 32.849 0.300 . 1 . . . . 26 MET CG . 11342 1 252 . 1 1 26 26 MET N N 15 112.455 0.300 . 1 . . . . 26 MET N . 11342 1 253 . 1 1 27 27 ASP H H 1 7.614 0.030 . 1 . . . . 27 ASP H . 11342 1 254 . 1 1 27 27 ASP HA H 1 4.849 0.030 . 1 . . . . 27 ASP HA . 11342 1 255 . 1 1 27 27 ASP HB2 H 1 2.684 0.030 . 1 . . . . 27 ASP HB2 . 11342 1 256 . 1 1 27 27 ASP HB3 H 1 2.684 0.030 . 1 . . . . 27 ASP HB3 . 11342 1 257 . 1 1 27 27 ASP C C 13 175.144 0.300 . 1 . . . . 27 ASP C . 11342 1 258 . 1 1 27 27 ASP CA C 13 52.646 0.300 . 1 . . . . 27 ASP CA . 11342 1 259 . 1 1 27 27 ASP CB C 13 42.271 0.300 . 1 . . . . 27 ASP CB . 11342 1 260 . 1 1 27 27 ASP N N 15 121.415 0.300 . 1 . . . . 27 ASP N . 11342 1 261 . 1 1 28 28 ALA H H 1 8.224 0.030 . 1 . . . . 28 ALA H . 11342 1 262 . 1 1 28 28 ALA HA H 1 4.608 0.030 . 1 . . . . 28 ALA HA . 11342 1 263 . 1 1 28 28 ALA HB1 H 1 1.376 0.030 . 1 . . . . 28 ALA HB . 11342 1 264 . 1 1 28 28 ALA HB2 H 1 1.376 0.030 . 1 . . . . 28 ALA HB . 11342 1 265 . 1 1 28 28 ALA HB3 H 1 1.376 0.030 . 1 . . . . 28 ALA HB . 11342 1 266 . 1 1 28 28 ALA C C 13 176.688 0.300 . 1 . . . . 28 ALA C . 11342 1 267 . 1 1 28 28 ALA CA C 13 51.693 0.300 . 1 . . . . 28 ALA CA . 11342 1 268 . 1 1 28 28 ALA CB C 13 19.654 0.300 . 1 . . . . 28 ALA CB . 11342 1 269 . 1 1 28 28 ALA N N 15 122.188 0.300 . 1 . . . . 28 ALA N . 11342 1 270 . 1 1 29 29 CYS H H 1 9.436 0.030 . 1 . . . . 29 CYS H . 11342 1 271 . 1 1 29 29 CYS HA H 1 3.763 0.030 . 1 . . . . 29 CYS HA . 11342 1 272 . 1 1 29 29 CYS HB2 H 1 1.755 0.030 . 2 . . . . 29 CYS HB2 . 11342 1 273 . 1 1 29 29 CYS HB3 H 1 3.095 0.030 . 2 . . . . 29 CYS HB3 . 11342 1 274 . 1 1 29 29 CYS C C 13 174.902 0.300 . 1 . . . . 29 CYS C . 11342 1 275 . 1 1 29 29 CYS CA C 13 58.272 0.300 . 1 . . . . 29 CYS CA . 11342 1 276 . 1 1 29 29 CYS CB C 13 29.132 0.300 . 1 . . . . 29 CYS CB . 11342 1 277 . 1 1 29 29 CYS N N 15 124.158 0.300 . 1 . . . . 29 CYS N . 11342 1 278 . 1 1 30 30 LEU H H 1 8.688 0.030 . 1 . . . . 30 LEU H . 11342 1 279 . 1 1 30 30 LEU HA H 1 3.791 0.030 . 1 . . . . 30 LEU HA . 11342 1 280 . 1 1 30 30 LEU HB2 H 1 1.462 0.030 . 2 . . . . 30 LEU HB2 . 11342 1 281 . 1 1 30 30 LEU HB3 H 1 1.680 0.030 . 2 . . . . 30 LEU HB3 . 11342 1 282 . 1 1 30 30 LEU HD11 H 1 0.926 0.030 . 1 . . . . 30 LEU HD1 . 11342 1 283 . 1 1 30 30 LEU HD12 H 1 0.926 0.030 . 1 . . . . 30 LEU HD1 . 11342 1 284 . 1 1 30 30 LEU HD13 H 1 0.926 0.030 . 1 . . . . 30 LEU HD1 . 11342 1 285 . 1 1 30 30 LEU HD21 H 1 0.856 0.030 . 1 . . . . 30 LEU HD2 . 11342 1 286 . 1 1 30 30 LEU HD22 H 1 0.856 0.030 . 1 . . . . 30 LEU HD2 . 11342 1 287 . 1 1 30 30 LEU HD23 H 1 0.856 0.030 . 1 . . . . 30 LEU HD2 . 11342 1 288 . 1 1 30 30 LEU HG H 1 1.777 0.030 . 1 . . . . 30 LEU HG . 11342 1 289 . 1 1 30 30 LEU C C 13 180.325 0.300 . 1 . . . . 30 LEU C . 11342 1 290 . 1 1 30 30 LEU CA C 13 58.272 0.300 . 1 . . . . 30 LEU CA . 11342 1 291 . 1 1 30 30 LEU CB C 13 41.498 0.300 . 1 . . . . 30 LEU CB . 11342 1 292 . 1 1 30 30 LEU CD1 C 13 25.191 0.300 . 2 . . . . 30 LEU CD1 . 11342 1 293 . 1 1 30 30 LEU CD2 C 13 22.824 0.300 . 2 . . . . 30 LEU CD2 . 11342 1 294 . 1 1 30 30 LEU CG C 13 27.189 0.300 . 1 . . . . 30 LEU CG . 11342 1 295 . 1 1 30 30 LEU N N 15 118.213 0.300 . 1 . . . . 30 LEU N . 11342 1 296 . 1 1 31 31 ARG H H 1 7.931 0.030 . 1 . . . . 31 ARG H . 11342 1 297 . 1 1 31 31 ARG HA H 1 4.086 0.030 . 1 . . . . 31 ARG HA . 11342 1 298 . 1 1 31 31 ARG HB2 H 1 1.914 0.030 . 1 . . . . 31 ARG HB2 . 11342 1 299 . 1 1 31 31 ARG HB3 H 1 1.914 0.030 . 1 . . . . 31 ARG HB3 . 11342 1 300 . 1 1 31 31 ARG HD2 H 1 3.196 0.030 . 2 . . . . 31 ARG HD2 . 11342 1 301 . 1 1 31 31 ARG HD3 H 1 3.061 0.030 . 2 . . . . 31 ARG HD3 . 11342 1 302 . 1 1 31 31 ARG HG2 H 1 1.696 0.030 . 2 . . . . 31 ARG HG2 . 11342 1 303 . 1 1 31 31 ARG HG3 H 1 1.554 0.030 . 2 . . . . 31 ARG HG3 . 11342 1 304 . 1 1 31 31 ARG C C 13 178.527 0.300 . 1 . . . . 31 ARG C . 11342 1 305 . 1 1 31 31 ARG CA C 13 59.586 0.300 . 1 . . . . 31 ARG CA . 11342 1 306 . 1 1 31 31 ARG CB C 13 29.636 0.300 . 1 . . . . 31 ARG CB . 11342 1 307 . 1 1 31 31 ARG CD C 13 42.938 0.300 . 1 . . . . 31 ARG CD . 11342 1 308 . 1 1 31 31 ARG CG C 13 27.449 0.300 . 1 . . . . 31 ARG CG . 11342 1 309 . 1 1 31 31 ARG N N 15 121.017 0.300 . 1 . . . . 31 ARG N . 11342 1 310 . 1 1 32 32 CYS H H 1 8.609 0.030 . 1 . . . . 32 CYS H . 11342 1 311 . 1 1 32 32 CYS HA H 1 3.791 0.030 . 1 . . . . 32 CYS HA . 11342 1 312 . 1 1 32 32 CYS HB2 H 1 2.535 0.030 . 2 . . . . 32 CYS HB2 . 11342 1 313 . 1 1 32 32 CYS HB3 H 1 2.756 0.030 . 2 . . . . 32 CYS HB3 . 11342 1 314 . 1 1 32 32 CYS C C 13 179.139 0.300 . 1 . . . . 32 CYS C . 11342 1 315 . 1 1 32 32 CYS CA C 13 65.285 0.300 . 1 . . . . 32 CYS CA . 11342 1 316 . 1 1 32 32 CYS CB C 13 29.200 0.300 . 1 . . . . 32 CYS CB . 11342 1 317 . 1 1 32 32 CYS N N 15 124.396 0.300 . 1 . . . . 32 CYS N . 11342 1 318 . 1 1 33 33 GLN H H 1 8.644 0.030 . 1 . . . . 33 GLN H . 11342 1 319 . 1 1 33 33 GLN HA H 1 3.949 0.030 . 1 . . . . 33 GLN HA . 11342 1 320 . 1 1 33 33 GLN HB2 H 1 1.931 0.030 . 2 . . . . 33 GLN HB2 . 11342 1 321 . 1 1 33 33 GLN HB3 H 1 2.150 0.030 . 2 . . . . 33 GLN HB3 . 11342 1 322 . 1 1 33 33 GLN HE21 H 1 6.986 0.030 . 2 . . . . 33 GLN HE21 . 11342 1 323 . 1 1 33 33 GLN HE22 H 1 7.875 0.030 . 2 . . . . 33 GLN HE22 . 11342 1 324 . 1 1 33 33 GLN HG2 H 1 2.179 0.030 . 2 . . . . 33 GLN HG2 . 11342 1 325 . 1 1 33 33 GLN HG3 H 1 2.479 0.030 . 2 . . . . 33 GLN HG3 . 11342 1 326 . 1 1 33 33 GLN C C 13 178.965 0.300 . 1 . . . . 33 GLN C . 11342 1 327 . 1 1 33 33 GLN CA C 13 59.576 0.300 . 1 . . . . 33 GLN CA . 11342 1 328 . 1 1 33 33 GLN CB C 13 28.848 0.300 . 1 . . . . 33 GLN CB . 11342 1 329 . 1 1 33 33 GLN CG C 13 34.216 0.300 . 1 . . . . 33 GLN CG . 11342 1 330 . 1 1 33 33 GLN N N 15 118.210 0.300 . 1 . . . . 33 GLN N . 11342 1 331 . 1 1 33 33 GLN NE2 N 15 113.473 0.300 . 1 . . . . 33 GLN NE2 . 11342 1 332 . 1 1 34 34 ALA H H 1 7.686 0.030 . 1 . . . . 34 ALA H . 11342 1 333 . 1 1 34 34 ALA HA H 1 4.124 0.030 . 1 . . . . 34 ALA HA . 11342 1 334 . 1 1 34 34 ALA HB1 H 1 1.554 0.030 . 1 . . . . 34 ALA HB . 11342 1 335 . 1 1 34 34 ALA HB2 H 1 1.554 0.030 . 1 . . . . 34 ALA HB . 11342 1 336 . 1 1 34 34 ALA HB3 H 1 1.554 0.030 . 1 . . . . 34 ALA HB . 11342 1 337 . 1 1 34 34 ALA C C 13 179.429 0.300 . 1 . . . . 34 ALA C . 11342 1 338 . 1 1 34 34 ALA CA C 13 54.775 0.300 . 1 . . . . 34 ALA CA . 11342 1 339 . 1 1 34 34 ALA CB C 13 18.438 0.300 . 1 . . . . 34 ALA CB . 11342 1 340 . 1 1 34 34 ALA N N 15 121.581 0.300 . 1 . . . . 34 ALA N . 11342 1 341 . 1 1 35 35 GLU H H 1 7.638 0.030 . 1 . . . . 35 GLU H . 11342 1 342 . 1 1 35 35 GLU HA H 1 4.321 0.030 . 1 . . . . 35 GLU HA . 11342 1 343 . 1 1 35 35 GLU HB2 H 1 1.688 0.030 . 2 . . . . 35 GLU HB2 . 11342 1 344 . 1 1 35 35 GLU HB3 H 1 2.253 0.030 . 2 . . . . 35 GLU HB3 . 11342 1 345 . 1 1 35 35 GLU HG2 H 1 2.411 0.030 . 2 . . . . 35 GLU HG2 . 11342 1 346 . 1 1 35 35 GLU HG3 H 1 2.220 0.030 . 2 . . . . 35 GLU HG3 . 11342 1 347 . 1 1 35 35 GLU C C 13 175.248 0.300 . 1 . . . . 35 GLU C . 11342 1 348 . 1 1 35 35 GLU CA C 13 55.564 0.300 . 1 . . . . 35 GLU CA . 11342 1 349 . 1 1 35 35 GLU CB C 13 30.426 0.300 . 1 . . . . 35 GLU CB . 11342 1 350 . 1 1 35 35 GLU CG C 13 36.506 0.300 . 1 . . . . 35 GLU CG . 11342 1 351 . 1 1 35 35 GLU N N 15 113.953 0.300 . 1 . . . . 35 GLU N . 11342 1 352 . 1 1 36 36 ASN H H 1 7.767 0.030 . 1 . . . . 36 ASN H . 11342 1 353 . 1 1 36 36 ASN HA H 1 4.629 0.030 . 1 . . . . 36 ASN HA . 11342 1 354 . 1 1 36 36 ASN HB2 H 1 2.852 0.030 . 2 . . . . 36 ASN HB2 . 11342 1 355 . 1 1 36 36 ASN HB3 H 1 3.157 0.030 . 2 . . . . 36 ASN HB3 . 11342 1 356 . 1 1 36 36 ASN HD21 H 1 6.847 0.030 . 2 . . . . 36 ASN HD21 . 11342 1 357 . 1 1 36 36 ASN HD22 H 1 7.591 0.030 . 2 . . . . 36 ASN HD22 . 11342 1 358 . 1 1 36 36 ASN C C 13 175.320 0.300 . 1 . . . . 36 ASN C . 11342 1 359 . 1 1 36 36 ASN CA C 13 54.617 0.300 . 1 . . . . 36 ASN CA . 11342 1 360 . 1 1 36 36 ASN CB C 13 37.120 0.300 . 1 . . . . 36 ASN CB . 11342 1 361 . 1 1 36 36 ASN N N 15 116.591 0.300 . 1 . . . . 36 ASN N . 11342 1 362 . 1 1 36 36 ASN ND2 N 15 113.248 0.300 . 1 . . . . 36 ASN ND2 . 11342 1 363 . 1 1 37 37 LYS H H 1 8.468 0.030 . 1 . . . . 37 LYS H . 11342 1 364 . 1 1 37 37 LYS HA H 1 4.794 0.030 . 1 . . . . 37 LYS HA . 11342 1 365 . 1 1 37 37 LYS HB2 H 1 1.502 0.030 . 2 . . . . 37 LYS HB2 . 11342 1 366 . 1 1 37 37 LYS HB3 H 1 2.217 0.030 . 2 . . . . 37 LYS HB3 . 11342 1 367 . 1 1 37 37 LYS HD2 H 1 1.681 0.030 . 2 . . . . 37 LYS HD2 . 11342 1 368 . 1 1 37 37 LYS HD3 H 1 1.758 0.030 . 2 . . . . 37 LYS HD3 . 11342 1 369 . 1 1 37 37 LYS HE2 H 1 3.022 0.030 . 1 . . . . 37 LYS HE2 . 11342 1 370 . 1 1 37 37 LYS HE3 H 1 3.022 0.030 . 1 . . . . 37 LYS HE3 . 11342 1 371 . 1 1 37 37 LYS HG2 H 1 1.341 0.030 . 2 . . . . 37 LYS HG2 . 11342 1 372 . 1 1 37 37 LYS HG3 H 1 1.503 0.030 . 2 . . . . 37 LYS HG3 . 11342 1 373 . 1 1 37 37 LYS C C 13 177.039 0.300 . 1 . . . . 37 LYS C . 11342 1 374 . 1 1 37 37 LYS CA C 13 54.886 0.300 . 1 . . . . 37 LYS CA . 11342 1 375 . 1 1 37 37 LYS CB C 13 33.096 0.300 . 1 . . . . 37 LYS CB . 11342 1 376 . 1 1 37 37 LYS CD C 13 29.151 0.300 . 1 . . . . 37 LYS CD . 11342 1 377 . 1 1 37 37 LYS CE C 13 42.884 0.300 . 1 . . . . 37 LYS CE . 11342 1 378 . 1 1 37 37 LYS CG C 13 24.413 0.300 . 1 . . . . 37 LYS CG . 11342 1 379 . 1 1 37 37 LYS N N 15 118.553 0.300 . 1 . . . . 37 LYS N . 11342 1 380 . 1 1 38 38 GLN H H 1 9.146 0.030 . 1 . . . . 38 GLN H . 11342 1 381 . 1 1 38 38 GLN HA H 1 3.636 0.030 . 1 . . . . 38 GLN HA . 11342 1 382 . 1 1 38 38 GLN HB2 H 1 2.084 0.030 . 2 . . . . 38 GLN HB2 . 11342 1 383 . 1 1 38 38 GLN HB3 H 1 1.994 0.030 . 2 . . . . 38 GLN HB3 . 11342 1 384 . 1 1 38 38 GLN HE21 H 1 7.134 0.030 . 2 . . . . 38 GLN HE21 . 11342 1 385 . 1 1 38 38 GLN HE22 H 1 7.735 0.030 . 2 . . . . 38 GLN HE22 . 11342 1 386 . 1 1 38 38 GLN HG2 H 1 2.546 0.030 . 2 . . . . 38 GLN HG2 . 11342 1 387 . 1 1 38 38 GLN HG3 H 1 2.086 0.030 . 2 . . . . 38 GLN HG3 . 11342 1 388 . 1 1 38 38 GLN C C 13 178.098 0.300 . 1 . . . . 38 GLN C . 11342 1 389 . 1 1 38 38 GLN CA C 13 60.718 0.300 . 1 . . . . 38 GLN CA . 11342 1 390 . 1 1 38 38 GLN CB C 13 27.878 0.300 . 1 . . . . 38 GLN CB . 11342 1 391 . 1 1 38 38 GLN CG C 13 34.634 0.300 . 1 . . . . 38 GLN CG . 11342 1 392 . 1 1 38 38 GLN N N 15 119.667 0.300 . 1 . . . . 38 GLN N . 11342 1 393 . 1 1 38 38 GLN NE2 N 15 112.064 0.300 . 1 . . . . 38 GLN NE2 . 11342 1 394 . 1 1 39 39 GLU H H 1 8.880 0.030 . 1 . . . . 39 GLU H . 11342 1 395 . 1 1 39 39 GLU HA H 1 4.082 0.030 . 1 . . . . 39 GLU HA . 11342 1 396 . 1 1 39 39 GLU HB2 H 1 2.026 0.030 . 2 . . . . 39 GLU HB2 . 11342 1 397 . 1 1 39 39 GLU HB3 H 1 1.961 0.030 . 2 . . . . 39 GLU HB3 . 11342 1 398 . 1 1 39 39 GLU HG2 H 1 2.297 0.030 . 1 . . . . 39 GLU HG2 . 11342 1 399 . 1 1 39 39 GLU HG3 H 1 2.297 0.030 . 1 . . . . 39 GLU HG3 . 11342 1 400 . 1 1 39 39 GLU C C 13 176.708 0.300 . 1 . . . . 39 GLU C . 11342 1 401 . 1 1 39 39 GLU CA C 13 58.594 0.300 . 1 . . . . 39 GLU CA . 11342 1 402 . 1 1 39 39 GLU CB C 13 29.128 0.300 . 1 . . . . 39 GLU CB . 11342 1 403 . 1 1 39 39 GLU CG C 13 36.379 0.300 . 1 . . . . 39 GLU CG . 11342 1 404 . 1 1 39 39 GLU N N 15 117.217 0.300 . 1 . . . . 39 GLU N . 11342 1 405 . 1 1 40 40 ASP H H 1 7.697 0.030 . 1 . . . . 40 ASP H . 11342 1 406 . 1 1 40 40 ASP HA H 1 4.709 0.030 . 1 . . . . 40 ASP HA . 11342 1 407 . 1 1 40 40 ASP HB2 H 1 2.610 0.030 . 2 . . . . 40 ASP HB2 . 11342 1 408 . 1 1 40 40 ASP HB3 H 1 2.882 0.030 . 2 . . . . 40 ASP HB3 . 11342 1 409 . 1 1 40 40 ASP C C 13 174.785 0.300 . 1 . . . . 40 ASP C . 11342 1 410 . 1 1 40 40 ASP CA C 13 54.144 0.300 . 1 . . . . 40 ASP CA . 11342 1 411 . 1 1 40 40 ASP CB C 13 41.995 0.300 . 1 . . . . 40 ASP CB . 11342 1 412 . 1 1 40 40 ASP N N 15 117.169 0.300 . 1 . . . . 40 ASP N . 11342 1 413 . 1 1 41 41 CYS H H 1 7.514 0.030 . 1 . . . . 41 CYS H . 11342 1 414 . 1 1 41 41 CYS HA H 1 4.427 0.030 . 1 . . . . 41 CYS HA . 11342 1 415 . 1 1 41 41 CYS HB2 H 1 3.178 0.030 . 2 . . . . 41 CYS HB2 . 11342 1 416 . 1 1 41 41 CYS HB3 H 1 3.087 0.030 . 2 . . . . 41 CYS HB3 . 11342 1 417 . 1 1 41 41 CYS C C 13 175.410 0.300 . 1 . . . . 41 CYS C . 11342 1 418 . 1 1 41 41 CYS CA C 13 60.919 0.300 . 1 . . . . 41 CYS CA . 11342 1 419 . 1 1 41 41 CYS CB C 13 29.157 0.300 . 1 . . . . 41 CYS CB . 11342 1 420 . 1 1 41 41 CYS N N 15 126.975 0.300 . 1 . . . . 41 CYS N . 11342 1 421 . 1 1 42 42 VAL H H 1 8.112 0.030 . 1 . . . . 42 VAL H . 11342 1 422 . 1 1 42 42 VAL HA H 1 4.975 0.030 . 1 . . . . 42 VAL HA . 11342 1 423 . 1 1 42 42 VAL HB H 1 2.394 0.030 . 1 . . . . 42 VAL HB . 11342 1 424 . 1 1 42 42 VAL HG11 H 1 0.968 0.030 . 1 . . . . 42 VAL HG1 . 11342 1 425 . 1 1 42 42 VAL HG12 H 1 0.968 0.030 . 1 . . . . 42 VAL HG1 . 11342 1 426 . 1 1 42 42 VAL HG13 H 1 0.968 0.030 . 1 . . . . 42 VAL HG1 . 11342 1 427 . 1 1 42 42 VAL HG21 H 1 0.990 0.030 . 1 . . . . 42 VAL HG2 . 11342 1 428 . 1 1 42 42 VAL HG22 H 1 0.990 0.030 . 1 . . . . 42 VAL HG2 . 11342 1 429 . 1 1 42 42 VAL HG23 H 1 0.990 0.030 . 1 . . . . 42 VAL HG2 . 11342 1 430 . 1 1 42 42 VAL C C 13 175.670 0.300 . 1 . . . . 42 VAL C . 11342 1 431 . 1 1 42 42 VAL CA C 13 60.146 0.300 . 1 . . . . 42 VAL CA . 11342 1 432 . 1 1 42 42 VAL CB C 13 35.156 0.300 . 1 . . . . 42 VAL CB . 11342 1 433 . 1 1 42 42 VAL CG1 C 13 21.388 0.300 . 2 . . . . 42 VAL CG1 . 11342 1 434 . 1 1 42 42 VAL CG2 C 13 18.645 0.300 . 2 . . . . 42 VAL CG2 . 11342 1 435 . 1 1 42 42 VAL N N 15 120.024 0.300 . 1 . . . . 42 VAL N . 11342 1 436 . 1 1 43 43 VAL H H 1 8.848 0.030 . 1 . . . . 43 VAL H . 11342 1 437 . 1 1 43 43 VAL HA H 1 4.260 0.030 . 1 . . . . 43 VAL HA . 11342 1 438 . 1 1 43 43 VAL HB H 1 1.852 0.030 . 1 . . . . 43 VAL HB . 11342 1 439 . 1 1 43 43 VAL HG11 H 1 -0.140 0.030 . 1 . . . . 43 VAL HG1 . 11342 1 440 . 1 1 43 43 VAL HG12 H 1 -0.140 0.030 . 1 . . . . 43 VAL HG1 . 11342 1 441 . 1 1 43 43 VAL HG13 H 1 -0.140 0.030 . 1 . . . . 43 VAL HG1 . 11342 1 442 . 1 1 43 43 VAL HG21 H 1 0.865 0.030 . 1 . . . . 43 VAL HG2 . 11342 1 443 . 1 1 43 43 VAL HG22 H 1 0.865 0.030 . 1 . . . . 43 VAL HG2 . 11342 1 444 . 1 1 43 43 VAL HG23 H 1 0.865 0.030 . 1 . . . . 43 VAL HG2 . 11342 1 445 . 1 1 43 43 VAL C C 13 173.968 0.300 . 1 . . . . 43 VAL C . 11342 1 446 . 1 1 43 43 VAL CA C 13 62.518 0.300 . 1 . . . . 43 VAL CA . 11342 1 447 . 1 1 43 43 VAL CB C 13 33.345 0.300 . 1 . . . . 43 VAL CB . 11342 1 448 . 1 1 43 43 VAL CG1 C 13 20.713 0.300 . 2 . . . . 43 VAL CG1 . 11342 1 449 . 1 1 43 43 VAL CG2 C 13 23.412 0.300 . 2 . . . . 43 VAL CG2 . 11342 1 450 . 1 1 43 43 VAL N N 15 125.950 0.300 . 1 . . . . 43 VAL N . 11342 1 451 . 1 1 44 44 VAL H H 1 8.845 0.030 . 1 . . . . 44 VAL H . 11342 1 452 . 1 1 44 44 VAL HA H 1 5.388 0.030 . 1 . . . . 44 VAL HA . 11342 1 453 . 1 1 44 44 VAL HB H 1 2.203 0.030 . 1 . . . . 44 VAL HB . 11342 1 454 . 1 1 44 44 VAL HG11 H 1 1.240 0.030 . 1 . . . . 44 VAL HG1 . 11342 1 455 . 1 1 44 44 VAL HG12 H 1 1.240 0.030 . 1 . . . . 44 VAL HG1 . 11342 1 456 . 1 1 44 44 VAL HG13 H 1 1.240 0.030 . 1 . . . . 44 VAL HG1 . 11342 1 457 . 1 1 44 44 VAL HG21 H 1 1.444 0.030 . 1 . . . . 44 VAL HG2 . 11342 1 458 . 1 1 44 44 VAL HG22 H 1 1.444 0.030 . 1 . . . . 44 VAL HG2 . 11342 1 459 . 1 1 44 44 VAL HG23 H 1 1.444 0.030 . 1 . . . . 44 VAL HG2 . 11342 1 460 . 1 1 44 44 VAL C C 13 172.429 0.300 . 1 . . . . 44 VAL C . 11342 1 461 . 1 1 44 44 VAL CA C 13 59.271 0.300 . 1 . . . . 44 VAL CA . 11342 1 462 . 1 1 44 44 VAL CB C 13 36.178 0.300 . 1 . . . . 44 VAL CB . 11342 1 463 . 1 1 44 44 VAL CG1 C 13 20.484 0.300 . 2 . . . . 44 VAL CG1 . 11342 1 464 . 1 1 44 44 VAL CG2 C 13 23.359 0.300 . 2 . . . . 44 VAL CG2 . 11342 1 465 . 1 1 44 44 VAL N N 15 121.854 0.300 . 1 . . . . 44 VAL N . 11342 1 466 . 1 1 45 45 TRP H H 1 9.106 0.030 . 1 . . . . 45 TRP H . 11342 1 467 . 1 1 45 45 TRP HA H 1 5.258 0.030 . 1 . . . . 45 TRP HA . 11342 1 468 . 1 1 45 45 TRP HB2 H 1 3.129 0.030 . 1 . . . . 45 TRP HB2 . 11342 1 469 . 1 1 45 45 TRP HB3 H 1 3.129 0.030 . 1 . . . . 45 TRP HB3 . 11342 1 470 . 1 1 45 45 TRP HD1 H 1 6.988 0.030 . 1 . . . . 45 TRP HD1 . 11342 1 471 . 1 1 45 45 TRP HE1 H 1 9.915 0.030 . 1 . . . . 45 TRP HE1 . 11342 1 472 . 1 1 45 45 TRP HE3 H 1 7.418 0.030 . 1 . . . . 45 TRP HE3 . 11342 1 473 . 1 1 45 45 TRP HH2 H 1 6.956 0.030 . 1 . . . . 45 TRP HH2 . 11342 1 474 . 1 1 45 45 TRP HZ2 H 1 7.289 0.030 . 1 . . . . 45 TRP HZ2 . 11342 1 475 . 1 1 45 45 TRP HZ3 H 1 6.780 0.030 . 1 . . . . 45 TRP HZ3 . 11342 1 476 . 1 1 45 45 TRP C C 13 177.274 0.300 . 1 . . . . 45 TRP C . 11342 1 477 . 1 1 45 45 TRP CA C 13 57.208 0.300 . 1 . . . . 45 TRP CA . 11342 1 478 . 1 1 45 45 TRP CB C 13 33.010 0.300 . 1 . . . . 45 TRP CB . 11342 1 479 . 1 1 45 45 TRP CD1 C 13 126.806 0.300 . 1 . . . . 45 TRP CD1 . 11342 1 480 . 1 1 45 45 TRP CE3 C 13 121.385 0.300 . 1 . . . . 45 TRP CE3 . 11342 1 481 . 1 1 45 45 TRP CH2 C 13 124.304 0.300 . 1 . . . . 45 TRP CH2 . 11342 1 482 . 1 1 45 45 TRP CZ2 C 13 114.597 0.300 . 1 . . . . 45 TRP CZ2 . 11342 1 483 . 1 1 45 45 TRP CZ3 C 13 122.232 0.300 . 1 . . . . 45 TRP CZ3 . 11342 1 484 . 1 1 45 45 TRP N N 15 125.533 0.300 . 1 . . . . 45 TRP N . 11342 1 485 . 1 1 45 45 TRP NE1 N 15 129.010 0.300 . 1 . . . . 45 TRP NE1 . 11342 1 486 . 1 1 46 46 GLY H H 1 9.161 0.030 . 1 . . . . 46 GLY H . 11342 1 487 . 1 1 46 46 GLY HA2 H 1 3.442 0.030 . 2 . . . . 46 GLY HA2 . 11342 1 488 . 1 1 46 46 GLY HA3 H 1 4.231 0.030 . 2 . . . . 46 GLY HA3 . 11342 1 489 . 1 1 46 46 GLY C C 13 177.420 0.300 . 1 . . . . 46 GLY C . 11342 1 490 . 1 1 46 46 GLY CA C 13 44.344 0.300 . 1 . . . . 46 GLY CA . 11342 1 491 . 1 1 46 46 GLY N N 15 111.325 0.300 . 1 . . . . 46 GLY N . 11342 1 492 . 1 1 47 47 GLU H H 1 8.686 0.030 . 1 . . . . 47 GLU H . 11342 1 493 . 1 1 47 47 GLU HA H 1 3.993 0.030 . 1 . . . . 47 GLU HA . 11342 1 494 . 1 1 47 47 GLU HB2 H 1 1.816 0.030 . 2 . . . . 47 GLU HB2 . 11342 1 495 . 1 1 47 47 GLU HB3 H 1 2.000 0.030 . 2 . . . . 47 GLU HB3 . 11342 1 496 . 1 1 47 47 GLU HG2 H 1 2.149 0.030 . 2 . . . . 47 GLU HG2 . 11342 1 497 . 1 1 47 47 GLU HG3 H 1 2.057 0.030 . 2 . . . . 47 GLU HG3 . 11342 1 498 . 1 1 47 47 GLU C C 13 176.642 0.300 . 1 . . . . 47 GLU C . 11342 1 499 . 1 1 47 47 GLU CA C 13 59.298 0.300 . 1 . . . . 47 GLU CA . 11342 1 500 . 1 1 47 47 GLU CB C 13 29.703 0.300 . 1 . . . . 47 GLU CB . 11342 1 501 . 1 1 47 47 GLU CG C 13 36.624 0.300 . 1 . . . . 47 GLU CG . 11342 1 502 . 1 1 47 47 GLU N N 15 125.319 0.300 . 1 . . . . 47 GLU N . 11342 1 503 . 1 1 48 48 CYS H H 1 7.736 0.030 . 1 . . . . 48 CYS H . 11342 1 504 . 1 1 48 48 CYS HA H 1 4.391 0.030 . 1 . . . . 48 CYS HA . 11342 1 505 . 1 1 48 48 CYS HB2 H 1 3.304 0.030 . 2 . . . . 48 CYS HB2 . 11342 1 506 . 1 1 48 48 CYS HB3 H 1 2.737 0.030 . 2 . . . . 48 CYS HB3 . 11342 1 507 . 1 1 48 48 CYS C C 13 174.655 0.300 . 1 . . . . 48 CYS C . 11342 1 508 . 1 1 48 48 CYS CA C 13 58.190 0.300 . 1 . . . . 48 CYS CA . 11342 1 509 . 1 1 48 48 CYS CB C 13 31.333 0.300 . 1 . . . . 48 CYS CB . 11342 1 510 . 1 1 48 48 CYS N N 15 115.087 0.300 . 1 . . . . 48 CYS N . 11342 1 511 . 1 1 49 49 ASN H H 1 8.003 0.030 . 1 . . . . 49 ASN H . 11342 1 512 . 1 1 49 49 ASN HA H 1 4.422 0.030 . 1 . . . . 49 ASN HA . 11342 1 513 . 1 1 49 49 ASN HB2 H 1 2.982 0.030 . 1 . . . . 49 ASN HB2 . 11342 1 514 . 1 1 49 49 ASN HB3 H 1 2.982 0.030 . 1 . . . . 49 ASN HB3 . 11342 1 515 . 1 1 49 49 ASN HD21 H 1 6.798 0.030 . 2 . . . . 49 ASN HD21 . 11342 1 516 . 1 1 49 49 ASN HD22 H 1 7.381 0.030 . 2 . . . . 49 ASN HD22 . 11342 1 517 . 1 1 49 49 ASN C C 13 174.161 0.300 . 1 . . . . 49 ASN C . 11342 1 518 . 1 1 49 49 ASN CA C 13 55.499 0.300 . 1 . . . . 49 ASN CA . 11342 1 519 . 1 1 49 49 ASN CB C 13 37.297 0.300 . 1 . . . . 49 ASN CB . 11342 1 520 . 1 1 49 49 ASN N N 15 114.164 0.300 . 1 . . . . 49 ASN N . 11342 1 521 . 1 1 49 49 ASN ND2 N 15 112.607 0.300 . 1 . . . . 49 ASN ND2 . 11342 1 522 . 1 1 50 50 HIS H H 1 7.976 0.030 . 1 . . . . 50 HIS H . 11342 1 523 . 1 1 50 50 HIS HA H 1 4.783 0.030 . 1 . . . . 50 HIS HA . 11342 1 524 . 1 1 50 50 HIS HB2 H 1 2.958 0.030 . 2 . . . . 50 HIS HB2 . 11342 1 525 . 1 1 50 50 HIS HB3 H 1 3.602 0.030 . 2 . . . . 50 HIS HB3 . 11342 1 526 . 1 1 50 50 HIS HD2 H 1 7.245 0.030 . 1 . . . . 50 HIS HD2 . 11342 1 527 . 1 1 50 50 HIS HE1 H 1 7.790 0.030 . 1 . . . . 50 HIS HE1 . 11342 1 528 . 1 1 50 50 HIS C C 13 173.001 0.300 . 1 . . . . 50 HIS C . 11342 1 529 . 1 1 50 50 HIS CA C 13 59.168 0.300 . 1 . . . . 50 HIS CA . 11342 1 530 . 1 1 50 50 HIS CB C 13 32.011 0.300 . 1 . . . . 50 HIS CB . 11342 1 531 . 1 1 50 50 HIS CD2 C 13 118.864 0.300 . 1 . . . . 50 HIS CD2 . 11342 1 532 . 1 1 50 50 HIS CE1 C 13 137.731 0.300 . 1 . . . . 50 HIS CE1 . 11342 1 533 . 1 1 50 50 HIS N N 15 120.023 0.300 . 1 . . . . 50 HIS N . 11342 1 534 . 1 1 51 51 SER H H 1 8.096 0.030 . 1 . . . . 51 SER H . 11342 1 535 . 1 1 51 51 SER HA H 1 5.472 0.030 . 1 . . . . 51 SER HA . 11342 1 536 . 1 1 51 51 SER HB2 H 1 2.538 0.030 . 2 . . . . 51 SER HB2 . 11342 1 537 . 1 1 51 51 SER HB3 H 1 2.353 0.030 . 2 . . . . 51 SER HB3 . 11342 1 538 . 1 1 51 51 SER C C 13 171.938 0.300 . 1 . . . . 51 SER C . 11342 1 539 . 1 1 51 51 SER CA C 13 54.874 0.300 . 1 . . . . 51 SER CA . 11342 1 540 . 1 1 51 51 SER CB C 13 65.728 0.300 . 1 . . . . 51 SER CB . 11342 1 541 . 1 1 51 51 SER N N 15 114.876 0.300 . 1 . . . . 51 SER N . 11342 1 542 . 1 1 52 52 PHE H H 1 8.199 0.030 . 1 . . . . 52 PHE H . 11342 1 543 . 1 1 52 52 PHE HA H 1 4.635 0.030 . 1 . . . . 52 PHE HA . 11342 1 544 . 1 1 52 52 PHE HB2 H 1 2.047 0.030 . 2 . . . . 52 PHE HB2 . 11342 1 545 . 1 1 52 52 PHE HB3 H 1 3.397 0.030 . 2 . . . . 52 PHE HB3 . 11342 1 546 . 1 1 52 52 PHE HD1 H 1 7.117 0.030 . 1 . . . . 52 PHE HD1 . 11342 1 547 . 1 1 52 52 PHE HD2 H 1 7.117 0.030 . 1 . . . . 52 PHE HD2 . 11342 1 548 . 1 1 52 52 PHE HE1 H 1 7.143 0.030 . 1 . . . . 52 PHE HE1 . 11342 1 549 . 1 1 52 52 PHE HE2 H 1 7.143 0.030 . 1 . . . . 52 PHE HE2 . 11342 1 550 . 1 1 52 52 PHE HZ H 1 6.992 0.030 . 1 . . . . 52 PHE HZ . 11342 1 551 . 1 1 52 52 PHE C C 13 175.734 0.300 . 1 . . . . 52 PHE C . 11342 1 552 . 1 1 52 52 PHE CA C 13 55.785 0.300 . 1 . . . . 52 PHE CA . 11342 1 553 . 1 1 52 52 PHE CB C 13 45.642 0.300 . 1 . . . . 52 PHE CB . 11342 1 554 . 1 1 52 52 PHE CD1 C 13 132.403 0.300 . 1 . . . . 52 PHE CD1 . 11342 1 555 . 1 1 52 52 PHE CD2 C 13 132.403 0.300 . 1 . . . . 52 PHE CD2 . 11342 1 556 . 1 1 52 52 PHE CE1 C 13 130.709 0.300 . 1 . . . . 52 PHE CE1 . 11342 1 557 . 1 1 52 52 PHE CE2 C 13 130.709 0.300 . 1 . . . . 52 PHE CE2 . 11342 1 558 . 1 1 52 52 PHE CZ C 13 129.538 0.300 . 1 . . . . 52 PHE CZ . 11342 1 559 . 1 1 52 52 PHE N N 15 113.813 0.300 . 1 . . . . 52 PHE N . 11342 1 560 . 1 1 53 53 HIS H H 1 8.463 0.030 . 1 . . . . 53 HIS H . 11342 1 561 . 1 1 53 53 HIS HA H 1 4.663 0.030 . 1 . . . . 53 HIS HA . 11342 1 562 . 1 1 53 53 HIS HB2 H 1 3.968 0.030 . 2 . . . . 53 HIS HB2 . 11342 1 563 . 1 1 53 53 HIS HB3 H 1 3.916 0.030 . 2 . . . . 53 HIS HB3 . 11342 1 564 . 1 1 53 53 HIS HD2 H 1 7.448 0.030 . 1 . . . . 53 HIS HD2 . 11342 1 565 . 1 1 53 53 HIS HE1 H 1 7.193 0.030 . 1 . . . . 53 HIS HE1 . 11342 1 566 . 1 1 53 53 HIS C C 13 177.446 0.300 . 1 . . . . 53 HIS C . 11342 1 567 . 1 1 53 53 HIS CA C 13 60.598 0.300 . 1 . . . . 53 HIS CA . 11342 1 568 . 1 1 53 53 HIS CB C 13 30.822 0.300 . 1 . . . . 53 HIS CB . 11342 1 569 . 1 1 53 53 HIS CD2 C 13 119.703 0.300 . 1 . . . . 53 HIS CD2 . 11342 1 570 . 1 1 53 53 HIS CE1 C 13 137.450 0.300 . 1 . . . . 53 HIS CE1 . 11342 1 571 . 1 1 53 53 HIS N N 15 117.959 0.300 . 1 . . . . 53 HIS N . 11342 1 572 . 1 1 54 54 ASN H H 1 9.532 0.030 . 1 . . . . 54 ASN H . 11342 1 573 . 1 1 54 54 ASN HA H 1 4.536 0.030 . 1 . . . . 54 ASN HA . 11342 1 574 . 1 1 54 54 ASN HB2 H 1 2.429 0.030 . 2 . . . . 54 ASN HB2 . 11342 1 575 . 1 1 54 54 ASN HB3 H 1 3.221 0.030 . 2 . . . . 54 ASN HB3 . 11342 1 576 . 1 1 54 54 ASN HD21 H 1 6.914 0.030 . 2 . . . . 54 ASN HD21 . 11342 1 577 . 1 1 54 54 ASN HD22 H 1 7.816 0.030 . 2 . . . . 54 ASN HD22 . 11342 1 578 . 1 1 54 54 ASN C C 13 178.544 0.300 . 1 . . . . 54 ASN C . 11342 1 579 . 1 1 54 54 ASN CA C 13 57.875 0.300 . 1 . . . . 54 ASN CA . 11342 1 580 . 1 1 54 54 ASN CB C 13 39.471 0.300 . 1 . . . . 54 ASN CB . 11342 1 581 . 1 1 54 54 ASN N N 15 127.424 0.300 . 1 . . . . 54 ASN N . 11342 1 582 . 1 1 54 54 ASN ND2 N 15 114.207 0.300 . 1 . . . . 54 ASN ND2 . 11342 1 583 . 1 1 55 55 CYS H H 1 10.555 0.030 . 1 . . . . 55 CYS H . 11342 1 584 . 1 1 55 55 CYS HA H 1 3.917 0.030 . 1 . . . . 55 CYS HA . 11342 1 585 . 1 1 55 55 CYS HB2 H 1 2.784 0.030 . 2 . . . . 55 CYS HB2 . 11342 1 586 . 1 1 55 55 CYS HB3 H 1 3.060 0.030 . 2 . . . . 55 CYS HB3 . 11342 1 587 . 1 1 55 55 CYS C C 13 178.498 0.300 . 1 . . . . 55 CYS C . 11342 1 588 . 1 1 55 55 CYS CA C 13 64.110 0.300 . 1 . . . . 55 CYS CA . 11342 1 589 . 1 1 55 55 CYS CB C 13 32.580 0.300 . 1 . . . . 55 CYS CB . 11342 1 590 . 1 1 55 55 CYS N N 15 121.894 0.300 . 1 . . . . 55 CYS N . 11342 1 591 . 1 1 56 56 CYS H H 1 6.602 0.030 . 1 . . . . 56 CYS H . 11342 1 592 . 1 1 56 56 CYS HA H 1 4.012 0.030 . 1 . . . . 56 CYS HA . 11342 1 593 . 1 1 56 56 CYS HB2 H 1 3.003 0.030 . 1 . . . . 56 CYS HB2 . 11342 1 594 . 1 1 56 56 CYS HB3 H 1 3.003 0.030 . 1 . . . . 56 CYS HB3 . 11342 1 595 . 1 1 56 56 CYS C C 13 178.363 0.300 . 1 . . . . 56 CYS C . 11342 1 596 . 1 1 56 56 CYS CA C 13 62.479 0.300 . 1 . . . . 56 CYS CA . 11342 1 597 . 1 1 56 56 CYS CB C 13 29.481 0.300 . 1 . . . . 56 CYS CB . 11342 1 598 . 1 1 56 56 CYS N N 15 117.344 0.300 . 1 . . . . 56 CYS N . 11342 1 599 . 1 1 57 57 MET H H 1 8.451 0.030 . 1 . . . . 57 MET H . 11342 1 600 . 1 1 57 57 MET HA H 1 4.312 0.030 . 1 . . . . 57 MET HA . 11342 1 601 . 1 1 57 57 MET HB2 H 1 1.974 0.030 . 2 . . . . 57 MET HB2 . 11342 1 602 . 1 1 57 57 MET HB3 H 1 1.570 0.030 . 2 . . . . 57 MET HB3 . 11342 1 603 . 1 1 57 57 MET HE1 H 1 -0.191 0.030 . 1 . . . . 57 MET HE . 11342 1 604 . 1 1 57 57 MET HE2 H 1 -0.191 0.030 . 1 . . . . 57 MET HE . 11342 1 605 . 1 1 57 57 MET HE3 H 1 -0.191 0.030 . 1 . . . . 57 MET HE . 11342 1 606 . 1 1 57 57 MET HG2 H 1 1.986 0.030 . 2 . . . . 57 MET HG2 . 11342 1 607 . 1 1 57 57 MET HG3 H 1 1.815 0.030 . 2 . . . . 57 MET HG3 . 11342 1 608 . 1 1 57 57 MET C C 13 177.455 0.300 . 1 . . . . 57 MET C . 11342 1 609 . 1 1 57 57 MET CA C 13 55.864 0.300 . 1 . . . . 57 MET CA . 11342 1 610 . 1 1 57 57 MET CB C 13 30.812 0.300 . 1 . . . . 57 MET CB . 11342 1 611 . 1 1 57 57 MET CE C 13 14.160 0.300 . 1 . . . . 57 MET CE . 11342 1 612 . 1 1 57 57 MET CG C 13 32.174 0.300 . 1 . . . . 57 MET CG . 11342 1 613 . 1 1 57 57 MET N N 15 120.329 0.300 . 1 . . . . 57 MET N . 11342 1 614 . 1 1 58 58 SER H H 1 8.549 0.030 . 1 . . . . 58 SER H . 11342 1 615 . 1 1 58 58 SER HA H 1 4.170 0.030 . 1 . . . . 58 SER HA . 11342 1 616 . 1 1 58 58 SER HB2 H 1 3.895 0.030 . 2 . . . . 58 SER HB2 . 11342 1 617 . 1 1 58 58 SER HB3 H 1 3.961 0.030 . 2 . . . . 58 SER HB3 . 11342 1 618 . 1 1 58 58 SER C C 13 175.859 0.300 . 1 . . . . 58 SER C . 11342 1 619 . 1 1 58 58 SER CA C 13 62.034 0.300 . 1 . . . . 58 SER CA . 11342 1 620 . 1 1 58 58 SER CB C 13 62.829 0.300 . 1 . . . . 58 SER CB . 11342 1 621 . 1 1 58 58 SER N N 15 114.820 0.300 . 1 . . . . 58 SER N . 11342 1 622 . 1 1 59 59 LEU H H 1 6.834 0.030 . 1 . . . . 59 LEU H . 11342 1 623 . 1 1 59 59 LEU HA H 1 4.254 0.030 . 1 . . . . 59 LEU HA . 11342 1 624 . 1 1 59 59 LEU HB2 H 1 1.627 0.030 . 2 . . . . 59 LEU HB2 . 11342 1 625 . 1 1 59 59 LEU HB3 H 1 1.951 0.030 . 2 . . . . 59 LEU HB3 . 11342 1 626 . 1 1 59 59 LEU HD11 H 1 0.943 0.030 . 1 . . . . 59 LEU HD1 . 11342 1 627 . 1 1 59 59 LEU HD12 H 1 0.943 0.030 . 1 . . . . 59 LEU HD1 . 11342 1 628 . 1 1 59 59 LEU HD13 H 1 0.943 0.030 . 1 . . . . 59 LEU HD1 . 11342 1 629 . 1 1 59 59 LEU HD21 H 1 0.854 0.030 . 1 . . . . 59 LEU HD2 . 11342 1 630 . 1 1 59 59 LEU HD22 H 1 0.854 0.030 . 1 . . . . 59 LEU HD2 . 11342 1 631 . 1 1 59 59 LEU HD23 H 1 0.854 0.030 . 1 . . . . 59 LEU HD2 . 11342 1 632 . 1 1 59 59 LEU HG H 1 1.762 0.030 . 1 . . . . 59 LEU HG . 11342 1 633 . 1 1 59 59 LEU C C 13 179.243 0.300 . 1 . . . . 59 LEU C . 11342 1 634 . 1 1 59 59 LEU CA C 13 56.906 0.300 . 1 . . . . 59 LEU CA . 11342 1 635 . 1 1 59 59 LEU CB C 13 41.939 0.300 . 1 . . . . 59 LEU CB . 11342 1 636 . 1 1 59 59 LEU CD1 C 13 24.993 0.300 . 2 . . . . 59 LEU CD1 . 11342 1 637 . 1 1 59 59 LEU CD2 C 13 23.328 0.300 . 2 . . . . 59 LEU CD2 . 11342 1 638 . 1 1 59 59 LEU CG C 13 26.780 0.300 . 1 . . . . 59 LEU CG . 11342 1 639 . 1 1 59 59 LEU N N 15 119.078 0.300 . 1 . . . . 59 LEU N . 11342 1 640 . 1 1 60 60 TRP H H 1 7.920 0.030 . 1 . . . . 60 TRP H . 11342 1 641 . 1 1 60 60 TRP HA H 1 4.132 0.030 . 1 . . . . 60 TRP HA . 11342 1 642 . 1 1 60 60 TRP HB2 H 1 3.140 0.030 . 2 . . . . 60 TRP HB2 . 11342 1 643 . 1 1 60 60 TRP HB3 H 1 3.499 0.030 . 2 . . . . 60 TRP HB3 . 11342 1 644 . 1 1 60 60 TRP HD1 H 1 6.732 0.030 . 1 . . . . 60 TRP HD1 . 11342 1 645 . 1 1 60 60 TRP HE1 H 1 9.906 0.030 . 1 . . . . 60 TRP HE1 . 11342 1 646 . 1 1 60 60 TRP HE3 H 1 7.468 0.030 . 1 . . . . 60 TRP HE3 . 11342 1 647 . 1 1 60 60 TRP HH2 H 1 7.108 0.030 . 1 . . . . 60 TRP HH2 . 11342 1 648 . 1 1 60 60 TRP HZ2 H 1 7.238 0.030 . 1 . . . . 60 TRP HZ2 . 11342 1 649 . 1 1 60 60 TRP HZ3 H 1 7.057 0.030 . 1 . . . . 60 TRP HZ3 . 11342 1 650 . 1 1 60 60 TRP C C 13 179.363 0.300 . 1 . . . . 60 TRP C . 11342 1 651 . 1 1 60 60 TRP CA C 13 60.920 0.300 . 1 . . . . 60 TRP CA . 11342 1 652 . 1 1 60 60 TRP CB C 13 30.230 0.300 . 1 . . . . 60 TRP CB . 11342 1 653 . 1 1 60 60 TRP CD1 C 13 127.749 0.300 . 1 . . . . 60 TRP CD1 . 11342 1 654 . 1 1 60 60 TRP CE3 C 13 120.589 0.300 . 1 . . . . 60 TRP CE3 . 11342 1 655 . 1 1 60 60 TRP CH2 C 13 124.465 0.300 . 1 . . . . 60 TRP CH2 . 11342 1 656 . 1 1 60 60 TRP CZ2 C 13 114.117 0.300 . 1 . . . . 60 TRP CZ2 . 11342 1 657 . 1 1 60 60 TRP CZ3 C 13 121.925 0.300 . 1 . . . . 60 TRP CZ3 . 11342 1 658 . 1 1 60 60 TRP N N 15 123.442 0.300 . 1 . . . . 60 TRP N . 11342 1 659 . 1 1 60 60 TRP NE1 N 15 129.503 0.300 . 1 . . . . 60 TRP NE1 . 11342 1 660 . 1 1 61 61 VAL H H 1 8.500 0.030 . 1 . . . . 61 VAL H . 11342 1 661 . 1 1 61 61 VAL HA H 1 4.579 0.030 . 1 . . . . 61 VAL HA . 11342 1 662 . 1 1 61 61 VAL HB H 1 2.419 0.030 . 1 . . . . 61 VAL HB . 11342 1 663 . 1 1 61 61 VAL HG11 H 1 1.045 0.030 . 1 . . . . 61 VAL HG1 . 11342 1 664 . 1 1 61 61 VAL HG12 H 1 1.045 0.030 . 1 . . . . 61 VAL HG1 . 11342 1 665 . 1 1 61 61 VAL HG13 H 1 1.045 0.030 . 1 . . . . 61 VAL HG1 . 11342 1 666 . 1 1 61 61 VAL HG21 H 1 1.032 0.030 . 1 . . . . 61 VAL HG2 . 11342 1 667 . 1 1 61 61 VAL HG22 H 1 1.032 0.030 . 1 . . . . 61 VAL HG2 . 11342 1 668 . 1 1 61 61 VAL HG23 H 1 1.032 0.030 . 1 . . . . 61 VAL HG2 . 11342 1 669 . 1 1 61 61 VAL C C 13 177.255 0.300 . 1 . . . . 61 VAL C . 11342 1 670 . 1 1 61 61 VAL CA C 13 63.036 0.300 . 1 . . . . 61 VAL CA . 11342 1 671 . 1 1 61 61 VAL CB C 13 31.588 0.300 . 1 . . . . 61 VAL CB . 11342 1 672 . 1 1 61 61 VAL CG1 C 13 21.347 0.300 . 2 . . . . 61 VAL CG1 . 11342 1 673 . 1 1 61 61 VAL CG2 C 13 19.512 0.300 . 2 . . . . 61 VAL CG2 . 11342 1 674 . 1 1 61 61 VAL N N 15 111.451 0.300 . 1 . . . . 61 VAL N . 11342 1 675 . 1 1 62 62 LYS H H 1 7.093 0.030 . 1 . . . . 62 LYS H . 11342 1 676 . 1 1 62 62 LYS HA H 1 4.065 0.030 . 1 . . . . 62 LYS HA . 11342 1 677 . 1 1 62 62 LYS HB2 H 1 1.849 0.030 . 1 . . . . 62 LYS HB2 . 11342 1 678 . 1 1 62 62 LYS HB3 H 1 1.849 0.030 . 1 . . . . 62 LYS HB3 . 11342 1 679 . 1 1 62 62 LYS HD2 H 1 1.720 0.030 . 1 . . . . 62 LYS HD2 . 11342 1 680 . 1 1 62 62 LYS HD3 H 1 1.720 0.030 . 1 . . . . 62 LYS HD3 . 11342 1 681 . 1 1 62 62 LYS HE2 H 1 3.028 0.030 . 1 . . . . 62 LYS HE2 . 11342 1 682 . 1 1 62 62 LYS HE3 H 1 3.028 0.030 . 1 . . . . 62 LYS HE3 . 11342 1 683 . 1 1 62 62 LYS HG2 H 1 1.505 0.030 . 2 . . . . 62 LYS HG2 . 11342 1 684 . 1 1 62 62 LYS HG3 H 1 1.761 0.030 . 2 . . . . 62 LYS HG3 . 11342 1 685 . 1 1 62 62 LYS C C 13 177.615 0.300 . 1 . . . . 62 LYS C . 11342 1 686 . 1 1 62 62 LYS CA C 13 58.406 0.300 . 1 . . . . 62 LYS CA . 11342 1 687 . 1 1 62 62 LYS CB C 13 32.180 0.300 . 1 . . . . 62 LYS CB . 11342 1 688 . 1 1 62 62 LYS CD C 13 29.026 0.300 . 1 . . . . 62 LYS CD . 11342 1 689 . 1 1 62 62 LYS CE C 13 42.329 0.300 . 1 . . . . 62 LYS CE . 11342 1 690 . 1 1 62 62 LYS CG C 13 25.229 0.300 . 1 . . . . 62 LYS CG . 11342 1 691 . 1 1 62 62 LYS N N 15 119.184 0.300 . 1 . . . . 62 LYS N . 11342 1 692 . 1 1 63 63 GLN H H 1 7.336 0.030 . 1 . . . . 63 GLN H . 11342 1 693 . 1 1 63 63 GLN HA H 1 4.418 0.030 . 1 . . . . 63 GLN HA . 11342 1 694 . 1 1 63 63 GLN HB2 H 1 1.729 0.030 . 2 . . . . 63 GLN HB2 . 11342 1 695 . 1 1 63 63 GLN HB3 H 1 1.895 0.030 . 2 . . . . 63 GLN HB3 . 11342 1 696 . 1 1 63 63 GLN HE21 H 1 6.475 0.030 . 2 . . . . 63 GLN HE21 . 11342 1 697 . 1 1 63 63 GLN HE22 H 1 7.246 0.030 . 2 . . . . 63 GLN HE22 . 11342 1 698 . 1 1 63 63 GLN HG2 H 1 2.119 0.030 . 1 . . . . 63 GLN HG2 . 11342 1 699 . 1 1 63 63 GLN HG3 H 1 2.119 0.030 . 1 . . . . 63 GLN HG3 . 11342 1 700 . 1 1 63 63 GLN C C 13 174.930 0.300 . 1 . . . . 63 GLN C . 11342 1 701 . 1 1 63 63 GLN CA C 13 55.424 0.300 . 1 . . . . 63 GLN CA . 11342 1 702 . 1 1 63 63 GLN CB C 13 30.711 0.300 . 1 . . . . 63 GLN CB . 11342 1 703 . 1 1 63 63 GLN CG C 13 33.658 0.300 . 1 . . . . 63 GLN CG . 11342 1 704 . 1 1 63 63 GLN N N 15 112.868 0.300 . 1 . . . . 63 GLN N . 11342 1 705 . 1 1 63 63 GLN NE2 N 15 111.750 0.300 . 1 . . . . 63 GLN NE2 . 11342 1 706 . 1 1 64 64 ASN H H 1 7.545 0.030 . 1 . . . . 64 ASN H . 11342 1 707 . 1 1 64 64 ASN HA H 1 4.542 0.030 . 1 . . . . 64 ASN HA . 11342 1 708 . 1 1 64 64 ASN HB2 H 1 1.721 0.030 . 2 . . . . 64 ASN HB2 . 11342 1 709 . 1 1 64 64 ASN HB3 H 1 1.968 0.030 . 2 . . . . 64 ASN HB3 . 11342 1 710 . 1 1 64 64 ASN HD21 H 1 6.571 0.030 . 2 . . . . 64 ASN HD21 . 11342 1 711 . 1 1 64 64 ASN HD22 H 1 6.627 0.030 . 2 . . . . 64 ASN HD22 . 11342 1 712 . 1 1 64 64 ASN C C 13 173.135 0.300 . 1 . . . . 64 ASN C . 11342 1 713 . 1 1 64 64 ASN CA C 13 52.994 0.300 . 1 . . . . 64 ASN CA . 11342 1 714 . 1 1 64 64 ASN CB C 13 40.798 0.300 . 1 . . . . 64 ASN CB . 11342 1 715 . 1 1 64 64 ASN N N 15 118.247 0.300 . 1 . . . . 64 ASN N . 11342 1 716 . 1 1 64 64 ASN ND2 N 15 113.040 0.300 . 1 . . . . 64 ASN ND2 . 11342 1 717 . 1 1 65 65 ASN H H 1 8.475 0.030 . 1 . . . . 65 ASN H . 11342 1 718 . 1 1 65 65 ASN HA H 1 4.959 0.030 . 1 . . . . 65 ASN HA . 11342 1 719 . 1 1 65 65 ASN HB2 H 1 2.905 0.030 . 1 . . . . 65 ASN HB2 . 11342 1 720 . 1 1 65 65 ASN HB3 H 1 2.905 0.030 . 1 . . . . 65 ASN HB3 . 11342 1 721 . 1 1 65 65 ASN HD21 H 1 6.758 0.030 . 2 . . . . 65 ASN HD21 . 11342 1 722 . 1 1 65 65 ASN HD22 H 1 7.585 0.030 . 2 . . . . 65 ASN HD22 . 11342 1 723 . 1 1 65 65 ASN C C 13 175.134 0.300 . 1 . . . . 65 ASN C . 11342 1 724 . 1 1 65 65 ASN CA C 13 52.955 0.300 . 1 . . . . 65 ASN CA . 11342 1 725 . 1 1 65 65 ASN CB C 13 38.502 0.300 . 1 . . . . 65 ASN CB . 11342 1 726 . 1 1 65 65 ASN N N 15 119.922 0.300 . 1 . . . . 65 ASN N . 11342 1 727 . 1 1 65 65 ASN ND2 N 15 111.610 0.300 . 1 . . . . 65 ASN ND2 . 11342 1 728 . 1 1 66 66 ARG H H 1 8.115 0.030 . 1 . . . . 66 ARG H . 11342 1 729 . 1 1 66 66 ARG HA H 1 4.978 0.030 . 1 . . . . 66 ARG HA . 11342 1 730 . 1 1 66 66 ARG HB2 H 1 1.449 0.030 . 2 . . . . 66 ARG HB2 . 11342 1 731 . 1 1 66 66 ARG HB3 H 1 1.715 0.030 . 2 . . . . 66 ARG HB3 . 11342 1 732 . 1 1 66 66 ARG HD2 H 1 3.257 0.030 . 2 . . . . 66 ARG HD2 . 11342 1 733 . 1 1 66 66 ARG HD3 H 1 3.170 0.030 . 2 . . . . 66 ARG HD3 . 11342 1 734 . 1 1 66 66 ARG HG2 H 1 1.627 0.030 . 2 . . . . 66 ARG HG2 . 11342 1 735 . 1 1 66 66 ARG HG3 H 1 1.511 0.030 . 2 . . . . 66 ARG HG3 . 11342 1 736 . 1 1 66 66 ARG C C 13 174.852 0.300 . 1 . . . . 66 ARG C . 11342 1 737 . 1 1 66 66 ARG CA C 13 54.489 0.300 . 1 . . . . 66 ARG CA . 11342 1 738 . 1 1 66 66 ARG CB C 13 33.753 0.300 . 1 . . . . 66 ARG CB . 11342 1 739 . 1 1 66 66 ARG CD C 13 43.423 0.300 . 1 . . . . 66 ARG CD . 11342 1 740 . 1 1 66 66 ARG CG C 13 27.650 0.300 . 1 . . . . 66 ARG CG . 11342 1 741 . 1 1 66 66 ARG N N 15 118.757 0.300 . 1 . . . . 66 ARG N . 11342 1 742 . 1 1 67 67 CYS H H 1 9.050 0.030 . 1 . . . . 67 CYS H . 11342 1 743 . 1 1 67 67 CYS HA H 1 4.228 0.030 . 1 . . . . 67 CYS HA . 11342 1 744 . 1 1 67 67 CYS HB2 H 1 3.420 0.030 . 2 . . . . 67 CYS HB2 . 11342 1 745 . 1 1 67 67 CYS HB3 H 1 3.396 0.030 . 2 . . . . 67 CYS HB3 . 11342 1 746 . 1 1 67 67 CYS C C 13 176.404 0.300 . 1 . . . . 67 CYS C . 11342 1 747 . 1 1 67 67 CYS CA C 13 57.218 0.300 . 1 . . . . 67 CYS CA . 11342 1 748 . 1 1 67 67 CYS CB C 13 32.328 0.300 . 1 . . . . 67 CYS CB . 11342 1 749 . 1 1 67 67 CYS N N 15 123.387 0.300 . 1 . . . . 67 CYS N . 11342 1 750 . 1 1 68 68 PRO HA H 1 3.992 0.030 . 1 . . . . 68 PRO HA . 11342 1 751 . 1 1 68 68 PRO HB2 H 1 0.976 0.030 . 1 . . . . 68 PRO HB2 . 11342 1 752 . 1 1 68 68 PRO HB3 H 1 0.976 0.030 . 1 . . . . 68 PRO HB3 . 11342 1 753 . 1 1 68 68 PRO HD2 H 1 2.665 0.030 . 2 . . . . 68 PRO HD2 . 11342 1 754 . 1 1 68 68 PRO HD3 H 1 3.082 0.030 . 2 . . . . 68 PRO HD3 . 11342 1 755 . 1 1 68 68 PRO HG2 H 1 0.316 0.030 . 2 . . . . 68 PRO HG2 . 11342 1 756 . 1 1 68 68 PRO HG3 H 1 -0.541 0.030 . 2 . . . . 68 PRO HG3 . 11342 1 757 . 1 1 68 68 PRO C C 13 176.987 0.300 . 1 . . . . 68 PRO C . 11342 1 758 . 1 1 68 68 PRO CA C 13 64.512 0.300 . 1 . . . . 68 PRO CA . 11342 1 759 . 1 1 68 68 PRO CB C 13 32.029 0.300 . 1 . . . . 68 PRO CB . 11342 1 760 . 1 1 68 68 PRO CD C 13 50.874 0.300 . 1 . . . . 68 PRO CD . 11342 1 761 . 1 1 68 68 PRO CG C 13 25.153 0.300 . 1 . . . . 68 PRO CG . 11342 1 762 . 1 1 69 69 LEU H H 1 9.002 0.030 . 1 . . . . 69 LEU H . 11342 1 763 . 1 1 69 69 LEU HA H 1 4.304 0.030 . 1 . . . . 69 LEU HA . 11342 1 764 . 1 1 69 69 LEU HB2 H 1 0.714 0.030 . 2 . . . . 69 LEU HB2 . 11342 1 765 . 1 1 69 69 LEU HB3 H 1 0.933 0.030 . 2 . . . . 69 LEU HB3 . 11342 1 766 . 1 1 69 69 LEU HD11 H 1 0.526 0.030 . 1 . . . . 69 LEU HD1 . 11342 1 767 . 1 1 69 69 LEU HD12 H 1 0.526 0.030 . 1 . . . . 69 LEU HD1 . 11342 1 768 . 1 1 69 69 LEU HD13 H 1 0.526 0.030 . 1 . . . . 69 LEU HD1 . 11342 1 769 . 1 1 69 69 LEU HD21 H 1 0.547 0.030 . 1 . . . . 69 LEU HD2 . 11342 1 770 . 1 1 69 69 LEU HD22 H 1 0.547 0.030 . 1 . . . . 69 LEU HD2 . 11342 1 771 . 1 1 69 69 LEU HD23 H 1 0.547 0.030 . 1 . . . . 69 LEU HD2 . 11342 1 772 . 1 1 69 69 LEU HG H 1 1.168 0.030 . 1 . . . . 69 LEU HG . 11342 1 773 . 1 1 69 69 LEU C C 13 177.636 0.300 . 1 . . . . 69 LEU C . 11342 1 774 . 1 1 69 69 LEU CA C 13 55.970 0.300 . 1 . . . . 69 LEU CA . 11342 1 775 . 1 1 69 69 LEU CB C 13 43.193 0.300 . 1 . . . . 69 LEU CB . 11342 1 776 . 1 1 69 69 LEU CD1 C 13 22.739 0.300 . 2 . . . . 69 LEU CD1 . 11342 1 777 . 1 1 69 69 LEU CD2 C 13 25.654 0.300 . 2 . . . . 69 LEU CD2 . 11342 1 778 . 1 1 69 69 LEU CG C 13 26.947 0.300 . 1 . . . . 69 LEU CG . 11342 1 779 . 1 1 69 69 LEU N N 15 118.179 0.300 . 1 . . . . 69 LEU N . 11342 1 780 . 1 1 70 70 CYS H H 1 8.222 0.030 . 1 . . . . 70 CYS H . 11342 1 781 . 1 1 70 70 CYS HA H 1 4.993 0.030 . 1 . . . . 70 CYS HA . 11342 1 782 . 1 1 70 70 CYS HB2 H 1 2.831 0.030 . 2 . . . . 70 CYS HB2 . 11342 1 783 . 1 1 70 70 CYS HB3 H 1 3.498 0.030 . 2 . . . . 70 CYS HB3 . 11342 1 784 . 1 1 70 70 CYS C C 13 175.939 0.300 . 1 . . . . 70 CYS C . 11342 1 785 . 1 1 70 70 CYS CA C 13 58.552 0.300 . 1 . . . . 70 CYS CA . 11342 1 786 . 1 1 70 70 CYS CB C 13 32.456 0.300 . 1 . . . . 70 CYS CB . 11342 1 787 . 1 1 70 70 CYS N N 15 117.975 0.300 . 1 . . . . 70 CYS N . 11342 1 788 . 1 1 71 71 GLN H H 1 8.125 0.030 . 1 . . . . 71 GLN H . 11342 1 789 . 1 1 71 71 GLN HA H 1 4.115 0.030 . 1 . . . . 71 GLN HA . 11342 1 790 . 1 1 71 71 GLN HB2 H 1 2.415 0.030 . 1 . . . . 71 GLN HB2 . 11342 1 791 . 1 1 71 71 GLN HB3 H 1 2.415 0.030 . 1 . . . . 71 GLN HB3 . 11342 1 792 . 1 1 71 71 GLN HE21 H 1 6.608 0.030 . 2 . . . . 71 GLN HE21 . 11342 1 793 . 1 1 71 71 GLN HE22 H 1 7.250 0.030 . 2 . . . . 71 GLN HE22 . 11342 1 794 . 1 1 71 71 GLN HG2 H 1 2.301 0.030 . 2 . . . . 71 GLN HG2 . 11342 1 795 . 1 1 71 71 GLN HG3 H 1 2.234 0.030 . 2 . . . . 71 GLN HG3 . 11342 1 796 . 1 1 71 71 GLN C C 13 174.679 0.300 . 1 . . . . 71 GLN C . 11342 1 797 . 1 1 71 71 GLN CA C 13 58.032 0.300 . 1 . . . . 71 GLN CA . 11342 1 798 . 1 1 71 71 GLN CB C 13 26.012 0.300 . 1 . . . . 71 GLN CB . 11342 1 799 . 1 1 71 71 GLN CG C 13 34.170 0.300 . 1 . . . . 71 GLN CG . 11342 1 800 . 1 1 71 71 GLN N N 15 115.186 0.300 . 1 . . . . 71 GLN N . 11342 1 801 . 1 1 71 71 GLN NE2 N 15 112.420 0.300 . 1 . . . . 71 GLN NE2 . 11342 1 802 . 1 1 72 72 GLN H H 1 8.164 0.030 . 1 . . . . 72 GLN H . 11342 1 803 . 1 1 72 72 GLN HA H 1 4.464 0.030 . 1 . . . . 72 GLN HA . 11342 1 804 . 1 1 72 72 GLN HB2 H 1 2.175 0.030 . 2 . . . . 72 GLN HB2 . 11342 1 805 . 1 1 72 72 GLN HB3 H 1 2.248 0.030 . 2 . . . . 72 GLN HB3 . 11342 1 806 . 1 1 72 72 GLN HE21 H 1 7.041 0.030 . 2 . . . . 72 GLN HE21 . 11342 1 807 . 1 1 72 72 GLN HE22 H 1 7.898 0.030 . 2 . . . . 72 GLN HE22 . 11342 1 808 . 1 1 72 72 GLN HG2 H 1 2.542 0.030 . 2 . . . . 72 GLN HG2 . 11342 1 809 . 1 1 72 72 GLN HG3 H 1 2.709 0.030 . 2 . . . . 72 GLN HG3 . 11342 1 810 . 1 1 72 72 GLN C C 13 175.977 0.300 . 1 . . . . 72 GLN C . 11342 1 811 . 1 1 72 72 GLN CA C 13 56.367 0.300 . 1 . . . . 72 GLN CA . 11342 1 812 . 1 1 72 72 GLN CB C 13 30.160 0.300 . 1 . . . . 72 GLN CB . 11342 1 813 . 1 1 72 72 GLN CG C 13 35.458 0.300 . 1 . . . . 72 GLN CG . 11342 1 814 . 1 1 72 72 GLN N N 15 119.774 0.300 . 1 . . . . 72 GLN N . 11342 1 815 . 1 1 72 72 GLN NE2 N 15 113.532 0.300 . 1 . . . . 72 GLN NE2 . 11342 1 816 . 1 1 73 73 ASP H H 1 8.718 0.030 . 1 . . . . 73 ASP H . 11342 1 817 . 1 1 73 73 ASP HA H 1 4.480 0.030 . 1 . . . . 73 ASP HA . 11342 1 818 . 1 1 73 73 ASP HB2 H 1 2.549 0.030 . 2 . . . . 73 ASP HB2 . 11342 1 819 . 1 1 73 73 ASP HB3 H 1 2.639 0.030 . 2 . . . . 73 ASP HB3 . 11342 1 820 . 1 1 73 73 ASP C C 13 176.431 0.300 . 1 . . . . 73 ASP C . 11342 1 821 . 1 1 73 73 ASP CA C 13 56.386 0.300 . 1 . . . . 73 ASP CA . 11342 1 822 . 1 1 73 73 ASP CB C 13 40.374 0.300 . 1 . . . . 73 ASP CB . 11342 1 823 . 1 1 73 73 ASP N N 15 122.292 0.300 . 1 . . . . 73 ASP N . 11342 1 824 . 1 1 74 74 TRP H H 1 8.570 0.030 . 1 . . . . 74 TRP H . 11342 1 825 . 1 1 74 74 TRP HA H 1 4.822 0.030 . 1 . . . . 74 TRP HA . 11342 1 826 . 1 1 74 74 TRP HB2 H 1 2.660 0.030 . 2 . . . . 74 TRP HB2 . 11342 1 827 . 1 1 74 74 TRP HB3 H 1 3.061 0.030 . 2 . . . . 74 TRP HB3 . 11342 1 828 . 1 1 74 74 TRP HD1 H 1 7.055 0.030 . 1 . . . . 74 TRP HD1 . 11342 1 829 . 1 1 74 74 TRP HE1 H 1 10.072 0.030 . 1 . . . . 74 TRP HE1 . 11342 1 830 . 1 1 74 74 TRP HE3 H 1 7.496 0.030 . 1 . . . . 74 TRP HE3 . 11342 1 831 . 1 1 74 74 TRP HH2 H 1 7.366 0.030 . 1 . . . . 74 TRP HH2 . 11342 1 832 . 1 1 74 74 TRP HZ2 H 1 7.296 0.030 . 1 . . . . 74 TRP HZ2 . 11342 1 833 . 1 1 74 74 TRP HZ3 H 1 7.437 0.030 . 1 . . . . 74 TRP HZ3 . 11342 1 834 . 1 1 74 74 TRP C C 13 174.998 0.300 . 1 . . . . 74 TRP C . 11342 1 835 . 1 1 74 74 TRP CA C 13 57.557 0.300 . 1 . . . . 74 TRP CA . 11342 1 836 . 1 1 74 74 TRP CB C 13 29.262 0.300 . 1 . . . . 74 TRP CB . 11342 1 837 . 1 1 74 74 TRP CD1 C 13 127.300 0.300 . 1 . . . . 74 TRP CD1 . 11342 1 838 . 1 1 74 74 TRP CE3 C 13 120.605 0.300 . 1 . . . . 74 TRP CE3 . 11342 1 839 . 1 1 74 74 TRP CH2 C 13 124.349 0.300 . 1 . . . . 74 TRP CH2 . 11342 1 840 . 1 1 74 74 TRP CZ2 C 13 113.399 0.300 . 1 . . . . 74 TRP CZ2 . 11342 1 841 . 1 1 74 74 TRP CZ3 C 13 123.225 0.300 . 1 . . . . 74 TRP CZ3 . 11342 1 842 . 1 1 74 74 TRP N N 15 125.139 0.300 . 1 . . . . 74 TRP N . 11342 1 843 . 1 1 74 74 TRP NE1 N 15 128.637 0.300 . 1 . . . . 74 TRP NE1 . 11342 1 844 . 1 1 75 75 VAL H H 1 7.447 0.030 . 1 . . . . 75 VAL H . 11342 1 845 . 1 1 75 75 VAL HA H 1 3.776 0.030 . 1 . . . . 75 VAL HA . 11342 1 846 . 1 1 75 75 VAL HB H 1 1.550 0.030 . 1 . . . . 75 VAL HB . 11342 1 847 . 1 1 75 75 VAL HG11 H 1 0.768 0.030 . 1 . . . . 75 VAL HG1 . 11342 1 848 . 1 1 75 75 VAL HG12 H 1 0.768 0.030 . 1 . . . . 75 VAL HG1 . 11342 1 849 . 1 1 75 75 VAL HG13 H 1 0.768 0.030 . 1 . . . . 75 VAL HG1 . 11342 1 850 . 1 1 75 75 VAL HG21 H 1 0.739 0.030 . 1 . . . . 75 VAL HG2 . 11342 1 851 . 1 1 75 75 VAL HG22 H 1 0.739 0.030 . 1 . . . . 75 VAL HG2 . 11342 1 852 . 1 1 75 75 VAL HG23 H 1 0.739 0.030 . 1 . . . . 75 VAL HG2 . 11342 1 853 . 1 1 75 75 VAL C C 13 174.411 0.300 . 1 . . . . 75 VAL C . 11342 1 854 . 1 1 75 75 VAL CA C 13 60.955 0.300 . 1 . . . . 75 VAL CA . 11342 1 855 . 1 1 75 75 VAL CB C 13 35.601 0.300 . 1 . . . . 75 VAL CB . 11342 1 856 . 1 1 75 75 VAL CG1 C 13 20.916 0.300 . 2 . . . . 75 VAL CG1 . 11342 1 857 . 1 1 75 75 VAL CG2 C 13 21.062 0.300 . 2 . . . . 75 VAL CG2 . 11342 1 858 . 1 1 75 75 VAL N N 15 130.930 0.300 . 1 . . . . 75 VAL N . 11342 1 859 . 1 1 76 76 VAL H H 1 8.413 0.030 . 1 . . . . 76 VAL H . 11342 1 860 . 1 1 76 76 VAL HA H 1 3.196 0.030 . 1 . . . . 76 VAL HA . 11342 1 861 . 1 1 76 76 VAL HB H 1 1.898 0.030 . 1 . . . . 76 VAL HB . 11342 1 862 . 1 1 76 76 VAL HG11 H 1 0.856 0.030 . 1 . . . . 76 VAL HG1 . 11342 1 863 . 1 1 76 76 VAL HG12 H 1 0.856 0.030 . 1 . . . . 76 VAL HG1 . 11342 1 864 . 1 1 76 76 VAL HG13 H 1 0.856 0.030 . 1 . . . . 76 VAL HG1 . 11342 1 865 . 1 1 76 76 VAL HG21 H 1 1.109 0.030 . 1 . . . . 76 VAL HG2 . 11342 1 866 . 1 1 76 76 VAL HG22 H 1 1.109 0.030 . 1 . . . . 76 VAL HG2 . 11342 1 867 . 1 1 76 76 VAL HG23 H 1 1.109 0.030 . 1 . . . . 76 VAL HG2 . 11342 1 868 . 1 1 76 76 VAL C C 13 175.759 0.300 . 1 . . . . 76 VAL C . 11342 1 869 . 1 1 76 76 VAL CA C 13 65.010 0.300 . 1 . . . . 76 VAL CA . 11342 1 870 . 1 1 76 76 VAL CB C 13 32.267 0.300 . 1 . . . . 76 VAL CB . 11342 1 871 . 1 1 76 76 VAL CG1 C 13 21.214 0.300 . 2 . . . . 76 VAL CG1 . 11342 1 872 . 1 1 76 76 VAL CG2 C 13 23.139 0.300 . 2 . . . . 76 VAL CG2 . 11342 1 873 . 1 1 76 76 VAL N N 15 126.315 0.300 . 1 . . . . 76 VAL N . 11342 1 874 . 1 1 77 77 GLN H H 1 9.540 0.030 . 1 . . . . 77 GLN H . 11342 1 875 . 1 1 77 77 GLN HA H 1 4.408 0.030 . 1 . . . . 77 GLN HA . 11342 1 876 . 1 1 77 77 GLN HB2 H 1 1.515 0.030 . 2 . . . . 77 GLN HB2 . 11342 1 877 . 1 1 77 77 GLN HB3 H 1 1.738 0.030 . 2 . . . . 77 GLN HB3 . 11342 1 878 . 1 1 77 77 GLN HE21 H 1 7.287 0.030 . 2 . . . . 77 GLN HE21 . 11342 1 879 . 1 1 77 77 GLN HE22 H 1 6.905 0.030 . 2 . . . . 77 GLN HE22 . 11342 1 880 . 1 1 77 77 GLN HG2 H 1 2.005 0.030 . 2 . . . . 77 GLN HG2 . 11342 1 881 . 1 1 77 77 GLN HG3 H 1 2.372 0.030 . 2 . . . . 77 GLN HG3 . 11342 1 882 . 1 1 77 77 GLN C C 13 175.344 0.300 . 1 . . . . 77 GLN C . 11342 1 883 . 1 1 77 77 GLN CA C 13 56.608 0.300 . 1 . . . . 77 GLN CA . 11342 1 884 . 1 1 77 77 GLN CB C 13 30.878 0.300 . 1 . . . . 77 GLN CB . 11342 1 885 . 1 1 77 77 GLN CG C 13 34.109 0.300 . 1 . . . . 77 GLN CG . 11342 1 886 . 1 1 77 77 GLN N N 15 129.189 0.300 . 1 . . . . 77 GLN N . 11342 1 887 . 1 1 77 77 GLN NE2 N 15 111.241 0.300 . 1 . . . . 77 GLN NE2 . 11342 1 888 . 1 1 78 78 ARG H H 1 7.923 0.030 . 1 . . . . 78 ARG H . 11342 1 889 . 1 1 78 78 ARG HA H 1 4.634 0.030 . 1 . . . . 78 ARG HA . 11342 1 890 . 1 1 78 78 ARG HB2 H 1 1.739 0.030 . 1 . . . . 78 ARG HB2 . 11342 1 891 . 1 1 78 78 ARG HB3 H 1 1.739 0.030 . 1 . . . . 78 ARG HB3 . 11342 1 892 . 1 1 78 78 ARG HD2 H 1 2.681 0.030 . 2 . . . . 78 ARG HD2 . 11342 1 893 . 1 1 78 78 ARG HD3 H 1 2.569 0.030 . 2 . . . . 78 ARG HD3 . 11342 1 894 . 1 1 78 78 ARG HG2 H 1 1.379 0.030 . 2 . . . . 78 ARG HG2 . 11342 1 895 . 1 1 78 78 ARG HG3 H 1 1.315 0.030 . 2 . . . . 78 ARG HG3 . 11342 1 896 . 1 1 78 78 ARG C C 13 172.779 0.300 . 1 . . . . 78 ARG C . 11342 1 897 . 1 1 78 78 ARG CA C 13 55.564 0.300 . 1 . . . . 78 ARG CA . 11342 1 898 . 1 1 78 78 ARG CB C 13 32.960 0.300 . 1 . . . . 78 ARG CB . 11342 1 899 . 1 1 78 78 ARG CD C 13 43.006 0.300 . 1 . . . . 78 ARG CD . 11342 1 900 . 1 1 78 78 ARG CG C 13 27.061 0.300 . 1 . . . . 78 ARG CG . 11342 1 901 . 1 1 78 78 ARG N N 15 116.195 0.300 . 1 . . . . 78 ARG N . 11342 1 902 . 1 1 79 79 ILE H H 1 8.545 0.030 . 1 . . . . 79 ILE H . 11342 1 903 . 1 1 79 79 ILE HA H 1 5.387 0.030 . 1 . . . . 79 ILE HA . 11342 1 904 . 1 1 79 79 ILE HB H 1 1.789 0.030 . 1 . . . . 79 ILE HB . 11342 1 905 . 1 1 79 79 ILE HD11 H 1 0.931 0.030 . 1 . . . . 79 ILE HD1 . 11342 1 906 . 1 1 79 79 ILE HD12 H 1 0.931 0.030 . 1 . . . . 79 ILE HD1 . 11342 1 907 . 1 1 79 79 ILE HD13 H 1 0.931 0.030 . 1 . . . . 79 ILE HD1 . 11342 1 908 . 1 1 79 79 ILE HG12 H 1 1.122 0.030 . 2 . . . . 79 ILE HG12 . 11342 1 909 . 1 1 79 79 ILE HG13 H 1 1.672 0.030 . 2 . . . . 79 ILE HG13 . 11342 1 910 . 1 1 79 79 ILE HG21 H 1 0.991 0.030 . 1 . . . . 79 ILE HG2 . 11342 1 911 . 1 1 79 79 ILE HG22 H 1 0.991 0.030 . 1 . . . . 79 ILE HG2 . 11342 1 912 . 1 1 79 79 ILE HG23 H 1 0.991 0.030 . 1 . . . . 79 ILE HG2 . 11342 1 913 . 1 1 79 79 ILE C C 13 176.299 0.300 . 1 . . . . 79 ILE C . 11342 1 914 . 1 1 79 79 ILE CA C 13 59.788 0.300 . 1 . . . . 79 ILE CA . 11342 1 915 . 1 1 79 79 ILE CB C 13 41.341 0.300 . 1 . . . . 79 ILE CB . 11342 1 916 . 1 1 79 79 ILE CD1 C 13 13.719 0.300 . 1 . . . . 79 ILE CD1 . 11342 1 917 . 1 1 79 79 ILE CG1 C 13 28.257 0.300 . 1 . . . . 79 ILE CG1 . 11342 1 918 . 1 1 79 79 ILE CG2 C 13 17.128 0.300 . 1 . . . . 79 ILE CG2 . 11342 1 919 . 1 1 79 79 ILE N N 15 122.018 0.300 . 1 . . . . 79 ILE N . 11342 1 920 . 1 1 80 80 GLY H H 1 9.533 0.030 . 1 . . . . 80 GLY H . 11342 1 921 . 1 1 80 80 GLY HA2 H 1 4.061 0.030 . 2 . . . . 80 GLY HA2 . 11342 1 922 . 1 1 80 80 GLY HA3 H 1 4.450 0.030 . 2 . . . . 80 GLY HA3 . 11342 1 923 . 1 1 80 80 GLY C C 13 171.374 0.300 . 1 . . . . 80 GLY C . 11342 1 924 . 1 1 80 80 GLY CA C 13 45.599 0.300 . 1 . . . . 80 GLY CA . 11342 1 925 . 1 1 80 80 GLY N N 15 115.350 0.300 . 1 . . . . 80 GLY N . 11342 1 926 . 1 1 81 81 LYS H H 1 8.054 0.030 . 1 . . . . 81 LYS H . 11342 1 927 . 1 1 81 81 LYS HA H 1 4.379 0.030 . 1 . . . . 81 LYS HA . 11342 1 928 . 1 1 81 81 LYS HB2 H 1 1.804 0.030 . 2 . . . . 81 LYS HB2 . 11342 1 929 . 1 1 81 81 LYS HB3 H 1 1.951 0.030 . 2 . . . . 81 LYS HB3 . 11342 1 930 . 1 1 81 81 LYS HD2 H 1 1.802 0.030 . 1 . . . . 81 LYS HD2 . 11342 1 931 . 1 1 81 81 LYS HD3 H 1 1.802 0.030 . 1 . . . . 81 LYS HD3 . 11342 1 932 . 1 1 81 81 LYS HE2 H 1 3.081 0.030 . 1 . . . . 81 LYS HE2 . 11342 1 933 . 1 1 81 81 LYS HE3 H 1 3.081 0.030 . 1 . . . . 81 LYS HE3 . 11342 1 934 . 1 1 81 81 LYS HG2 H 1 1.545 0.030 . 1 . . . . 81 LYS HG2 . 11342 1 935 . 1 1 81 81 LYS HG3 H 1 1.545 0.030 . 1 . . . . 81 LYS HG3 . 11342 1 936 . 1 1 81 81 LYS C C 13 181.236 0.300 . 1 . . . . 81 LYS C . 11342 1 937 . 1 1 81 81 LYS CA C 13 57.936 0.300 . 1 . . . . 81 LYS CA . 11342 1 938 . 1 1 81 81 LYS CB C 13 34.614 0.300 . 1 . . . . 81 LYS CB . 11342 1 939 . 1 1 81 81 LYS CD C 13 29.463 0.300 . 1 . . . . 81 LYS CD . 11342 1 940 . 1 1 81 81 LYS CE C 13 42.334 0.300 . 1 . . . . 81 LYS CE . 11342 1 941 . 1 1 81 81 LYS CG C 13 25.237 0.300 . 1 . . . . 81 LYS CG . 11342 1 942 . 1 1 81 81 LYS N N 15 125.944 0.300 . 1 . . . . 81 LYS N . 11342 1 stop_ save_