data_11307 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11307 _Entry.Title ; Solution Structure of the RING finger Domain of the human UbcM4-interacting Protein 4 ; _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 . . . 11307 2 K. Saito . . . 11307 3 S. Koshiba . . . 11307 4 M. Inoue . . . 11307 5 T. Kigawa . . . 11307 6 S. Yokoyama . . . 11307 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)' . 11307 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11307 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 11307 '15N chemical shifts' 91 11307 '1H chemical shifts' 630 11307 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 . 11307 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WIM 'BMRB Entry Tracking System' 11307 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11307 _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 finger Domain of the human UbcM4-interacting Protein 4 ; _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 . . . 11307 1 2 K. Saito . . . 11307 1 3 S. Koshiba . . . 11307 1 4 M. Inoue . . . 11307 1 5 T. Kigawa . . . 11307 1 6 S. Yokoyama . . . 11307 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11307 _Assembly.ID 1 _Assembly.Name 'KIAA0161 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 finger Domain' 1 $entity_1 A . yes native no no . . . 11307 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11307 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11307 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 finger Domain' 1 CYS 8 8 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 8 CYS SG . . . . ZN 11307 1 2 coordination single . 1 'RING finger Domain' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11307 1 3 coordination single . 1 'RING finger Domain' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11307 1 4 coordination single . 1 'RING finger Domain' 1 CYS 34 34 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 34 CYS SG . . . . ZN 11307 1 5 coordination single . 1 'RING finger Domain' 1 CYS 26 26 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 26 CYS SG . . . . ZN 11307 1 6 coordination single . 1 'RING finger Domain' 1 CYS 28 28 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11307 1 7 coordination single . 1 'RING finger Domain' 1 CYS 53 53 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 53 CYS SG . . . . ZN 11307 1 8 coordination single . 1 'RING finger Domain' 1 CYS 58 58 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 58 CYS SG . . . . ZN 11307 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 53 53 HG . 53 CYS HG 11307 1 . . 1 1 CYS 58 58 HG . 58 CYS HG 11307 1 . . 1 1 CYS 26 26 HG . 26 CYS HG 11307 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 11307 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 11307 1 . . 1 1 CYS 34 34 HG . 34 CYS HG 11307 1 . . 1 1 CYS 8 8 HG . 8 CYS HG 11307 1 . . 1 1 CYS 11 11 HG . 11 CYS HG 11307 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 1wim . . . . . . 11307 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11307 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING finger 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 ; GSSGSSGCKLCLGEYPVEQM TTIAQCQCIFCTLCLKQYVE LLIKEGLETAISCPDAACPK QGHLQENEIECMVAAEIMQR YKKLQFERSGPSSG ; _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 94 _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 1WIM . "Solution Structure Of The Ring Finger Domain Of The Human Ubcm4-Interacting Protein 4" . . . . . 100.00 94 100.00 100.00 1.15e-59 . . . . 11307 1 2 no DBJ BAA11478 . "KIAA0161 [Homo sapiens]" . . . . . 87.23 292 98.78 98.78 1.02e-47 . . . . 11307 1 3 no DBJ BAC30058 . "unnamed protein product [Mus musculus]" . . . . . 87.23 292 97.56 97.56 5.89e-47 . . . . 11307 1 4 no DBJ BAD32182 . "mKIAA0161 protein [Mus musculus]" . . . . . 87.23 350 97.56 97.56 1.24e-46 . . . . 11307 1 5 no DBJ BAE21715 . "unnamed protein product [Mus musculus]" . . . . . 87.23 281 97.56 97.56 6.75e-47 . . . . 11307 1 6 no DBJ BAG09632 . "ubiquitin-conjugating enzyme 7-interacting protein 4 [synthetic construct]" . . . . . 87.23 292 98.78 98.78 1.02e-47 . . . . 11307 1 7 no GB AAH30187 . "Rnf144a protein [Mus musculus]" . . . . . 87.23 292 97.56 97.56 5.89e-47 . . . . 11307 1 8 no GB AAH50373 . "Ring finger protein 144A [Homo sapiens]" . . . . . 87.23 292 98.78 98.78 1.02e-47 . . . . 11307 1 9 no GB AAK51468 . "UbcM4-interacting protein 4 [Mus musculus]" . . . . . 87.23 292 97.56 97.56 5.89e-47 . . . . 11307 1 10 no GB AAX82010 . "unknown [Homo sapiens]" . . . . . 87.23 292 98.78 98.78 1.21e-47 . . . . 11307 1 11 no GB ABZ92280 . "ring finger protein 144 [synthetic construct]" . . . . . 87.23 292 98.78 98.78 1.02e-47 . . . . 11307 1 12 no REF NP_001075446 . "E3 ubiquitin-protein ligase RNF144A [Mus musculus]" . . . . . 87.23 292 97.56 97.56 5.89e-47 . . . . 11307 1 13 no REF NP_001075879 . "probable E3 ubiquitin-protein ligase RNF144A [Rattus norvegicus]" . . . . . 87.23 292 97.56 97.56 5.18e-47 . . . . 11307 1 14 no REF NP_055561 . "E3 ubiquitin-protein ligase RNF144A [Homo sapiens]" . . . . . 87.23 292 98.78 98.78 1.21e-47 . . . . 11307 1 15 no REF NP_542130 . "E3 ubiquitin-protein ligase RNF144A [Mus musculus]" . . . . . 87.23 292 97.56 97.56 5.89e-47 . . . . 11307 1 16 no REF XP_001118400 . "PREDICTED: probable E3 ubiquitin-protein ligase RNF144A-like [Macaca mulatta]" . . . . . 87.23 224 98.78 98.78 1.61e-48 . . . . 11307 1 17 no SP P50876 . "RecName: Full=E3 ubiquitin-protein ligase RNF144A; AltName: Full=RING finger protein 144A; AltName: Full=UbcM4-interacting prot" . . . . . 87.23 292 98.78 98.78 1.21e-47 . . . . 11307 1 18 no SP Q925F3 . "RecName: Full=E3 ubiquitin-protein ligase RNF144A; AltName: Full=RING finger protein 144A; AltName: Full=UbcM4-interacting prot" . . . . . 87.23 292 97.56 97.56 5.89e-47 . . . . 11307 1 19 no TPG DAA24481 . "TPA: ring finger protein 144-like [Bos taurus]" . . . . . 87.23 293 97.56 98.78 1.60e-47 . . . . 11307 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING finger Domain' . 11307 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 . 11307 1 2 . SER . 11307 1 3 . SER . 11307 1 4 . GLY . 11307 1 5 . SER . 11307 1 6 . SER . 11307 1 7 . GLY . 11307 1 8 . CYS . 11307 1 9 . LYS . 11307 1 10 . LEU . 11307 1 11 . CYS . 11307 1 12 . LEU . 11307 1 13 . GLY . 11307 1 14 . GLU . 11307 1 15 . TYR . 11307 1 16 . PRO . 11307 1 17 . VAL . 11307 1 18 . GLU . 11307 1 19 . GLN . 11307 1 20 . MET . 11307 1 21 . THR . 11307 1 22 . THR . 11307 1 23 . ILE . 11307 1 24 . ALA . 11307 1 25 . GLN . 11307 1 26 . CYS . 11307 1 27 . GLN . 11307 1 28 . CYS . 11307 1 29 . ILE . 11307 1 30 . PHE . 11307 1 31 . CYS . 11307 1 32 . THR . 11307 1 33 . LEU . 11307 1 34 . CYS . 11307 1 35 . LEU . 11307 1 36 . LYS . 11307 1 37 . GLN . 11307 1 38 . TYR . 11307 1 39 . VAL . 11307 1 40 . GLU . 11307 1 41 . LEU . 11307 1 42 . LEU . 11307 1 43 . ILE . 11307 1 44 . LYS . 11307 1 45 . GLU . 11307 1 46 . GLY . 11307 1 47 . LEU . 11307 1 48 . GLU . 11307 1 49 . THR . 11307 1 50 . ALA . 11307 1 51 . ILE . 11307 1 52 . SER . 11307 1 53 . CYS . 11307 1 54 . PRO . 11307 1 55 . ASP . 11307 1 56 . ALA . 11307 1 57 . ALA . 11307 1 58 . CYS . 11307 1 59 . PRO . 11307 1 60 . LYS . 11307 1 61 . GLN . 11307 1 62 . GLY . 11307 1 63 . HIS . 11307 1 64 . LEU . 11307 1 65 . GLN . 11307 1 66 . GLU . 11307 1 67 . ASN . 11307 1 68 . GLU . 11307 1 69 . ILE . 11307 1 70 . GLU . 11307 1 71 . CYS . 11307 1 72 . MET . 11307 1 73 . VAL . 11307 1 74 . ALA . 11307 1 75 . ALA . 11307 1 76 . GLU . 11307 1 77 . ILE . 11307 1 78 . MET . 11307 1 79 . GLN . 11307 1 80 . ARG . 11307 1 81 . TYR . 11307 1 82 . LYS . 11307 1 83 . LYS . 11307 1 84 . LEU . 11307 1 85 . GLN . 11307 1 86 . PHE . 11307 1 87 . GLU . 11307 1 88 . ARG . 11307 1 89 . SER . 11307 1 90 . GLY . 11307 1 91 . PRO . 11307 1 92 . SER . 11307 1 93 . SER . 11307 1 94 . GLY . 11307 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 11307 1 . SER 2 2 11307 1 . SER 3 3 11307 1 . GLY 4 4 11307 1 . SER 5 5 11307 1 . SER 6 6 11307 1 . GLY 7 7 11307 1 . CYS 8 8 11307 1 . LYS 9 9 11307 1 . LEU 10 10 11307 1 . CYS 11 11 11307 1 . LEU 12 12 11307 1 . GLY 13 13 11307 1 . GLU 14 14 11307 1 . TYR 15 15 11307 1 . PRO 16 16 11307 1 . VAL 17 17 11307 1 . GLU 18 18 11307 1 . GLN 19 19 11307 1 . MET 20 20 11307 1 . THR 21 21 11307 1 . THR 22 22 11307 1 . ILE 23 23 11307 1 . ALA 24 24 11307 1 . GLN 25 25 11307 1 . CYS 26 26 11307 1 . GLN 27 27 11307 1 . CYS 28 28 11307 1 . ILE 29 29 11307 1 . PHE 30 30 11307 1 . CYS 31 31 11307 1 . THR 32 32 11307 1 . LEU 33 33 11307 1 . CYS 34 34 11307 1 . LEU 35 35 11307 1 . LYS 36 36 11307 1 . GLN 37 37 11307 1 . TYR 38 38 11307 1 . VAL 39 39 11307 1 . GLU 40 40 11307 1 . LEU 41 41 11307 1 . LEU 42 42 11307 1 . ILE 43 43 11307 1 . LYS 44 44 11307 1 . GLU 45 45 11307 1 . GLY 46 46 11307 1 . LEU 47 47 11307 1 . GLU 48 48 11307 1 . THR 49 49 11307 1 . ALA 50 50 11307 1 . ILE 51 51 11307 1 . SER 52 52 11307 1 . CYS 53 53 11307 1 . PRO 54 54 11307 1 . ASP 55 55 11307 1 . ALA 56 56 11307 1 . ALA 57 57 11307 1 . CYS 58 58 11307 1 . PRO 59 59 11307 1 . LYS 60 60 11307 1 . GLN 61 61 11307 1 . GLY 62 62 11307 1 . HIS 63 63 11307 1 . LEU 64 64 11307 1 . GLN 65 65 11307 1 . GLU 66 66 11307 1 . ASN 67 67 11307 1 . GLU 68 68 11307 1 . ILE 69 69 11307 1 . GLU 70 70 11307 1 . CYS 71 71 11307 1 . MET 72 72 11307 1 . VAL 73 73 11307 1 . ALA 74 74 11307 1 . ALA 75 75 11307 1 . GLU 76 76 11307 1 . ILE 77 77 11307 1 . MET 78 78 11307 1 . GLN 79 79 11307 1 . ARG 80 80 11307 1 . TYR 81 81 11307 1 . LYS 82 82 11307 1 . LYS 83 83 11307 1 . LEU 84 84 11307 1 . GLN 85 85 11307 1 . PHE 86 86 11307 1 . GLU 87 87 11307 1 . ARG 88 88 11307 1 . SER 89 89 11307 1 . GLY 90 90 11307 1 . PRO 91 91 11307 1 . SER 92 92 11307 1 . SER 93 93 11307 1 . GLY 94 94 11307 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11307 _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 . 11307 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 11307 _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 . . . . . . . . . . . . . . . . . . . . . 11307 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 11307 _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 . . P030609-14 . . . . . . 11307 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 11307 _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 11307 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11307 ZN [Zn++] SMILES CACTVS 3.341 11307 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11307 ZN [Zn+2] SMILES ACDLabs 10.04 11307 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11307 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11307 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 11307 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11307 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 . 11307 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11307 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.15mM RING finger Domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.1mM {ZnCl2;} 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 finger Domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.15 . . mM . . . . 11307 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11307 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11307 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11307 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11307 1 6 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11307 1 7 H2O . . . . . . solvent 90 . . % . . . . 11307 1 8 D2O . . . . . . solvent 10 . . % . . . . 11307 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 11307 _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 11307 1 pH 7.0 0.05 pH 11307 1 pressure 1 0.001 atm 11307 1 temperature 298 0.1 K 11307 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11307 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11307 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11307 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11307 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11307 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11307 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11307 _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.' . . 11307 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11307 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11307 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11307 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11307 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11307 _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.' . . 11307 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11307 5 'structure solution' 11307 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 11307 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11307 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11307 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 11307 _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 . . . . . . . . . . . . . . . . 11307 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11307 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 11307 _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 . . . . . . . . . 11307 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11307 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11307 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 11307 _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 11307 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11307 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11307 1 2 $NMRPipe . . 11307 1 3 $NMRView . . 11307 1 4 $Kujira . . 11307 1 5 $CYANA . . 11307 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER HA H 1 4.506 0.030 . 1 . . . . 3 SER HA . 11307 1 2 . 1 1 3 3 SER HB2 H 1 3.918 0.030 . 1 . . . . 3 SER HB2 . 11307 1 3 . 1 1 3 3 SER HB3 H 1 3.918 0.030 . 1 . . . . 3 SER HB3 . 11307 1 4 . 1 1 3 3 SER C C 13 174.941 0.300 . 1 . . . . 3 SER C . 11307 1 5 . 1 1 3 3 SER CA C 13 58.696 0.300 . 1 . . . . 3 SER CA . 11307 1 6 . 1 1 3 3 SER CB C 13 63.798 0.300 . 1 . . . . 3 SER CB . 11307 1 7 . 1 1 4 4 GLY HA2 H 1 4.001 0.030 . 2 . . . . 4 GLY HA2 . 11307 1 8 . 1 1 4 4 GLY HA3 H 1 4.092 0.030 . 2 . . . . 4 GLY HA3 . 11307 1 9 . 1 1 4 4 GLY C C 13 173.802 0.300 . 1 . . . . 4 GLY C . 11307 1 10 . 1 1 4 4 GLY CA C 13 45.364 0.300 . 1 . . . . 4 GLY CA . 11307 1 11 . 1 1 5 5 SER H H 1 8.151 0.030 . 1 . . . . 5 SER H . 11307 1 12 . 1 1 5 5 SER HA H 1 4.907 0.030 . 1 . . . . 5 SER HA . 11307 1 13 . 1 1 5 5 SER HB2 H 1 3.657 0.030 . 1 . . . . 5 SER HB2 . 11307 1 14 . 1 1 5 5 SER HB3 H 1 3.657 0.030 . 1 . . . . 5 SER HB3 . 11307 1 15 . 1 1 5 5 SER C C 13 173.827 0.300 . 1 . . . . 5 SER C . 11307 1 16 . 1 1 5 5 SER CA C 13 57.876 0.300 . 1 . . . . 5 SER CA . 11307 1 17 . 1 1 5 5 SER CB C 13 65.255 0.300 . 1 . . . . 5 SER CB . 11307 1 18 . 1 1 5 5 SER N N 15 116.143 0.300 . 1 . . . . 5 SER N . 11307 1 19 . 1 1 6 6 SER H H 1 8.762 0.030 . 1 . . . . 6 SER H . 11307 1 20 . 1 1 6 6 SER HA H 1 4.636 0.030 . 1 . . . . 6 SER HA . 11307 1 21 . 1 1 6 6 SER HB2 H 1 3.701 0.030 . 2 . . . . 6 SER HB2 . 11307 1 22 . 1 1 6 6 SER HB3 H 1 3.744 0.030 . 2 . . . . 6 SER HB3 . 11307 1 23 . 1 1 6 6 SER C C 13 173.111 0.300 . 1 . . . . 6 SER C . 11307 1 24 . 1 1 6 6 SER CA C 13 57.962 0.300 . 1 . . . . 6 SER CA . 11307 1 25 . 1 1 6 6 SER CB C 13 65.502 0.300 . 1 . . . . 6 SER CB . 11307 1 26 . 1 1 6 6 SER N N 15 117.093 0.300 . 1 . . . . 6 SER N . 11307 1 27 . 1 1 7 7 GLY H H 1 8.243 0.030 . 1 . . . . 7 GLY H . 11307 1 28 . 1 1 7 7 GLY HA2 H 1 4.644 0.030 . 2 . . . . 7 GLY HA2 . 11307 1 29 . 1 1 7 7 GLY HA3 H 1 3.531 0.030 . 2 . . . . 7 GLY HA3 . 11307 1 30 . 1 1 7 7 GLY C C 13 173.135 0.300 . 1 . . . . 7 GLY C . 11307 1 31 . 1 1 7 7 GLY CA C 13 44.765 0.300 . 1 . . . . 7 GLY CA . 11307 1 32 . 1 1 7 7 GLY N N 15 109.444 0.300 . 1 . . . . 7 GLY N . 11307 1 33 . 1 1 8 8 CYS H H 1 8.766 0.030 . 1 . . . . 8 CYS H . 11307 1 34 . 1 1 8 8 CYS HA H 1 4.667 0.030 . 1 . . . . 8 CYS HA . 11307 1 35 . 1 1 8 8 CYS HB2 H 1 2.826 0.030 . 2 . . . . 8 CYS HB2 . 11307 1 36 . 1 1 8 8 CYS HB3 H 1 3.793 0.030 . 2 . . . . 8 CYS HB3 . 11307 1 37 . 1 1 8 8 CYS C C 13 177.546 0.300 . 1 . . . . 8 CYS C . 11307 1 38 . 1 1 8 8 CYS CA C 13 58.334 0.300 . 1 . . . . 8 CYS CA . 11307 1 39 . 1 1 8 8 CYS CB C 13 32.685 0.300 . 1 . . . . 8 CYS CB . 11307 1 40 . 1 1 8 8 CYS N N 15 124.701 0.300 . 1 . . . . 8 CYS N . 11307 1 41 . 1 1 9 9 LYS H H 1 9.050 0.030 . 1 . . . . 9 LYS H . 11307 1 42 . 1 1 9 9 LYS HA H 1 4.186 0.030 . 1 . . . . 9 LYS HA . 11307 1 43 . 1 1 9 9 LYS HB2 H 1 1.819 0.030 . 2 . . . . 9 LYS HB2 . 11307 1 44 . 1 1 9 9 LYS HB3 H 1 1.942 0.030 . 2 . . . . 9 LYS HB3 . 11307 1 45 . 1 1 9 9 LYS HD2 H 1 1.697 0.030 . 1 . . . . 9 LYS HD2 . 11307 1 46 . 1 1 9 9 LYS HD3 H 1 1.697 0.030 . 1 . . . . 9 LYS HD3 . 11307 1 47 . 1 1 9 9 LYS HE2 H 1 2.980 0.030 . 1 . . . . 9 LYS HE2 . 11307 1 48 . 1 1 9 9 LYS HE3 H 1 2.980 0.030 . 1 . . . . 9 LYS HE3 . 11307 1 49 . 1 1 9 9 LYS HG2 H 1 1.534 0.030 . 2 . . . . 9 LYS HG2 . 11307 1 50 . 1 1 9 9 LYS HG3 H 1 1.661 0.030 . 2 . . . . 9 LYS HG3 . 11307 1 51 . 1 1 9 9 LYS C C 13 176.432 0.300 . 1 . . . . 9 LYS C . 11307 1 52 . 1 1 9 9 LYS CA C 13 58.933 0.300 . 1 . . . . 9 LYS CA . 11307 1 53 . 1 1 9 9 LYS CB C 13 33.306 0.300 . 1 . . . . 9 LYS CB . 11307 1 54 . 1 1 9 9 LYS CD C 13 29.664 0.300 . 1 . . . . 9 LYS CD . 11307 1 55 . 1 1 9 9 LYS CE C 13 41.920 0.300 . 1 . . . . 9 LYS CE . 11307 1 56 . 1 1 9 9 LYS CG C 13 25.552 0.300 . 1 . . . . 9 LYS CG . 11307 1 57 . 1 1 9 9 LYS N N 15 129.397 0.300 . 1 . . . . 9 LYS N . 11307 1 58 . 1 1 10 10 LEU H H 1 9.109 0.030 . 1 . . . . 10 LEU H . 11307 1 59 . 1 1 10 10 LEU HA H 1 4.547 0.030 . 1 . . . . 10 LEU HA . 11307 1 60 . 1 1 10 10 LEU HB2 H 1 2.237 0.030 . 2 . . . . 10 LEU HB2 . 11307 1 61 . 1 1 10 10 LEU HB3 H 1 1.626 0.030 . 2 . . . . 10 LEU HB3 . 11307 1 62 . 1 1 10 10 LEU HD11 H 1 0.404 0.030 . 1 . . . . 10 LEU HD1 . 11307 1 63 . 1 1 10 10 LEU HD12 H 1 0.404 0.030 . 1 . . . . 10 LEU HD1 . 11307 1 64 . 1 1 10 10 LEU HD13 H 1 0.404 0.030 . 1 . . . . 10 LEU HD1 . 11307 1 65 . 1 1 10 10 LEU HD21 H 1 0.693 0.030 . 1 . . . . 10 LEU HD2 . 11307 1 66 . 1 1 10 10 LEU HD22 H 1 0.693 0.030 . 1 . . . . 10 LEU HD2 . 11307 1 67 . 1 1 10 10 LEU HD23 H 1 0.693 0.030 . 1 . . . . 10 LEU HD2 . 11307 1 68 . 1 1 10 10 LEU HG H 1 1.673 0.030 . 1 . . . . 10 LEU HG . 11307 1 69 . 1 1 10 10 LEU C C 13 177.474 0.300 . 1 . . . . 10 LEU C . 11307 1 70 . 1 1 10 10 LEU CA C 13 57.314 0.300 . 1 . . . . 10 LEU CA . 11307 1 71 . 1 1 10 10 LEU CB C 13 42.817 0.300 . 1 . . . . 10 LEU CB . 11307 1 72 . 1 1 10 10 LEU CD1 C 13 25.141 0.300 . 2 . . . . 10 LEU CD1 . 11307 1 73 . 1 1 10 10 LEU CD2 C 13 21.851 0.300 . 2 . . . . 10 LEU CD2 . 11307 1 74 . 1 1 10 10 LEU CG C 13 26.950 0.300 . 1 . . . . 10 LEU CG . 11307 1 75 . 1 1 10 10 LEU N N 15 120.546 0.300 . 1 . . . . 10 LEU N . 11307 1 76 . 1 1 11 11 CYS H H 1 8.147 0.030 . 1 . . . . 11 CYS H . 11307 1 77 . 1 1 11 11 CYS HA H 1 4.866 0.030 . 1 . . . . 11 CYS HA . 11307 1 78 . 1 1 11 11 CYS HB2 H 1 3.332 0.030 . 2 . . . . 11 CYS HB2 . 11307 1 79 . 1 1 11 11 CYS HB3 H 1 2.856 0.030 . 2 . . . . 11 CYS HB3 . 11307 1 80 . 1 1 11 11 CYS C C 13 176.722 0.300 . 1 . . . . 11 CYS C . 11307 1 81 . 1 1 11 11 CYS CA C 13 58.418 0.300 . 1 . . . . 11 CYS CA . 11307 1 82 . 1 1 11 11 CYS CB C 13 32.777 0.300 . 1 . . . . 11 CYS CB . 11307 1 83 . 1 1 11 11 CYS N N 15 116.827 0.300 . 1 . . . . 11 CYS N . 11307 1 84 . 1 1 12 12 LEU H H 1 8.215 0.030 . 1 . . . . 12 LEU H . 11307 1 85 . 1 1 12 12 LEU HA H 1 4.272 0.030 . 1 . . . . 12 LEU HA . 11307 1 86 . 1 1 12 12 LEU HB2 H 1 1.712 0.030 . 2 . . . . 12 LEU HB2 . 11307 1 87 . 1 1 12 12 LEU HB3 H 1 2.219 0.030 . 2 . . . . 12 LEU HB3 . 11307 1 88 . 1 1 12 12 LEU HD11 H 1 0.923 0.030 . 1 . . . . 12 LEU HD1 . 11307 1 89 . 1 1 12 12 LEU HD12 H 1 0.923 0.030 . 1 . . . . 12 LEU HD1 . 11307 1 90 . 1 1 12 12 LEU HD13 H 1 0.923 0.030 . 1 . . . . 12 LEU HD1 . 11307 1 91 . 1 1 12 12 LEU HD21 H 1 0.871 0.030 . 1 . . . . 12 LEU HD2 . 11307 1 92 . 1 1 12 12 LEU HD22 H 1 0.871 0.030 . 1 . . . . 12 LEU HD2 . 11307 1 93 . 1 1 12 12 LEU HD23 H 1 0.871 0.030 . 1 . . . . 12 LEU HD2 . 11307 1 94 . 1 1 12 12 LEU HG H 1 1.480 0.030 . 1 . . . . 12 LEU HG . 11307 1 95 . 1 1 12 12 LEU C C 13 176.747 0.300 . 1 . . . . 12 LEU C . 11307 1 96 . 1 1 12 12 LEU CA C 13 57.060 0.300 . 1 . . . . 12 LEU CA . 11307 1 97 . 1 1 12 12 LEU CB C 13 38.195 0.300 . 1 . . . . 12 LEU CB . 11307 1 98 . 1 1 12 12 LEU CD1 C 13 25.141 0.300 . 2 . . . . 12 LEU CD1 . 11307 1 99 . 1 1 12 12 LEU CD2 C 13 22.920 0.300 . 2 . . . . 12 LEU CD2 . 11307 1 100 . 1 1 12 12 LEU CG C 13 27.493 0.300 . 1 . . . . 12 LEU CG . 11307 1 101 . 1 1 12 12 LEU N N 15 119.617 0.300 . 1 . . . . 12 LEU N . 11307 1 102 . 1 1 13 13 GLY H H 1 8.824 0.030 . 1 . . . . 13 GLY H . 11307 1 103 . 1 1 13 13 GLY HA2 H 1 4.207 0.030 . 2 . . . . 13 GLY HA2 . 11307 1 104 . 1 1 13 13 GLY HA3 H 1 3.580 0.030 . 2 . . . . 13 GLY HA3 . 11307 1 105 . 1 1 13 13 GLY C C 13 171.815 0.300 . 1 . . . . 13 GLY C . 11307 1 106 . 1 1 13 13 GLY CA C 13 44.115 0.300 . 1 . . . . 13 GLY CA . 11307 1 107 . 1 1 13 13 GLY N N 15 110.849 0.300 . 1 . . . . 13 GLY N . 11307 1 108 . 1 1 14 14 GLU H H 1 7.664 0.030 . 1 . . . . 14 GLU H . 11307 1 109 . 1 1 14 14 GLU HA H 1 4.795 0.030 . 1 . . . . 14 GLU HA . 11307 1 110 . 1 1 14 14 GLU HB2 H 1 1.657 0.030 . 1 . . . . 14 GLU HB2 . 11307 1 111 . 1 1 14 14 GLU HB3 H 1 1.657 0.030 . 1 . . . . 14 GLU HB3 . 11307 1 112 . 1 1 14 14 GLU HG2 H 1 1.881 0.030 . 2 . . . . 14 GLU HG2 . 11307 1 113 . 1 1 14 14 GLU HG3 H 1 2.008 0.030 . 2 . . . . 14 GLU HG3 . 11307 1 114 . 1 1 14 14 GLU C C 13 175.256 0.300 . 1 . . . . 14 GLU C . 11307 1 115 . 1 1 14 14 GLU CA C 13 54.983 0.300 . 1 . . . . 14 GLU CA . 11307 1 116 . 1 1 14 14 GLU CB C 13 31.721 0.300 . 1 . . . . 14 GLU CB . 11307 1 117 . 1 1 14 14 GLU CG C 13 36.162 0.300 . 1 . . . . 14 GLU CG . 11307 1 118 . 1 1 14 14 GLU N N 15 119.484 0.300 . 1 . . . . 14 GLU N . 11307 1 119 . 1 1 15 15 TYR H H 1 8.415 0.030 . 1 . . . . 15 TYR H . 11307 1 120 . 1 1 15 15 TYR HA H 1 4.967 0.030 . 1 . . . . 15 TYR HA . 11307 1 121 . 1 1 15 15 TYR HB2 H 1 2.829 0.030 . 2 . . . . 15 TYR HB2 . 11307 1 122 . 1 1 15 15 TYR HB3 H 1 3.072 0.030 . 2 . . . . 15 TYR HB3 . 11307 1 123 . 1 1 15 15 TYR HD1 H 1 7.093 0.030 . 1 . . . . 15 TYR HD1 . 11307 1 124 . 1 1 15 15 TYR HD2 H 1 7.093 0.030 . 1 . . . . 15 TYR HD2 . 11307 1 125 . 1 1 15 15 TYR HE1 H 1 6.786 0.030 . 1 . . . . 15 TYR HE1 . 11307 1 126 . 1 1 15 15 TYR HE2 H 1 6.786 0.030 . 1 . . . . 15 TYR HE2 . 11307 1 127 . 1 1 15 15 TYR C C 13 172.421 0.300 . 1 . . . . 15 TYR C . 11307 1 128 . 1 1 15 15 TYR CA C 13 55.889 0.300 . 1 . . . . 15 TYR CA . 11307 1 129 . 1 1 15 15 TYR CB C 13 40.393 0.300 . 1 . . . . 15 TYR CB . 11307 1 130 . 1 1 15 15 TYR CD1 C 13 133.697 0.300 . 1 . . . . 15 TYR CD1 . 11307 1 131 . 1 1 15 15 TYR CD2 C 13 133.697 0.300 . 1 . . . . 15 TYR CD2 . 11307 1 132 . 1 1 15 15 TYR CE1 C 13 118.341 0.300 . 1 . . . . 15 TYR CE1 . 11307 1 133 . 1 1 15 15 TYR CE2 C 13 118.341 0.300 . 1 . . . . 15 TYR CE2 . 11307 1 134 . 1 1 15 15 TYR N N 15 121.964 0.300 . 1 . . . . 15 TYR N . 11307 1 135 . 1 1 16 16 PRO HA H 1 4.724 0.030 . 1 . . . . 16 PRO HA . 11307 1 136 . 1 1 16 16 PRO HB2 H 1 2.031 0.030 . 2 . . . . 16 PRO HB2 . 11307 1 137 . 1 1 16 16 PRO HB3 H 1 2.529 0.030 . 2 . . . . 16 PRO HB3 . 11307 1 138 . 1 1 16 16 PRO HD2 H 1 3.762 0.030 . 2 . . . . 16 PRO HD2 . 11307 1 139 . 1 1 16 16 PRO HD3 H 1 3.943 0.030 . 2 . . . . 16 PRO HD3 . 11307 1 140 . 1 1 16 16 PRO HG2 H 1 2.100 0.030 . 1 . . . . 16 PRO HG2 . 11307 1 141 . 1 1 16 16 PRO HG3 H 1 2.100 0.030 . 1 . . . . 16 PRO HG3 . 11307 1 142 . 1 1 16 16 PRO CA C 13 62.446 0.300 . 1 . . . . 16 PRO CA . 11307 1 143 . 1 1 16 16 PRO CB C 13 32.777 0.300 . 1 . . . . 16 PRO CB . 11307 1 144 . 1 1 16 16 PRO CD C 13 50.718 0.300 . 1 . . . . 16 PRO CD . 11307 1 145 . 1 1 16 16 PRO CG C 13 28.168 0.300 . 1 . . . . 16 PRO CG . 11307 1 146 . 1 1 17 17 VAL H H 1 8.315 0.030 . 1 . . . . 17 VAL H . 11307 1 147 . 1 1 17 17 VAL HA H 1 3.652 0.030 . 1 . . . . 17 VAL HA . 11307 1 148 . 1 1 17 17 VAL HB H 1 2.105 0.030 . 1 . . . . 17 VAL HB . 11307 1 149 . 1 1 17 17 VAL HG11 H 1 0.964 0.030 . 1 . . . . 17 VAL HG1 . 11307 1 150 . 1 1 17 17 VAL HG12 H 1 0.964 0.030 . 1 . . . . 17 VAL HG1 . 11307 1 151 . 1 1 17 17 VAL HG13 H 1 0.964 0.030 . 1 . . . . 17 VAL HG1 . 11307 1 152 . 1 1 17 17 VAL HG21 H 1 0.945 0.030 . 1 . . . . 17 VAL HG2 . 11307 1 153 . 1 1 17 17 VAL HG22 H 1 0.945 0.030 . 1 . . . . 17 VAL HG2 . 11307 1 154 . 1 1 17 17 VAL HG23 H 1 0.945 0.030 . 1 . . . . 17 VAL HG2 . 11307 1 155 . 1 1 17 17 VAL C C 13 177.922 0.300 . 1 . . . . 17 VAL C . 11307 1 156 . 1 1 17 17 VAL CA C 13 66.066 0.300 . 1 . . . . 17 VAL CA . 11307 1 157 . 1 1 17 17 VAL CB C 13 31.721 0.300 . 1 . . . . 17 VAL CB . 11307 1 158 . 1 1 17 17 VAL CG1 C 13 20.634 0.300 . 2 . . . . 17 VAL CG1 . 11307 1 159 . 1 1 17 17 VAL CG2 C 13 21.022 0.300 . 2 . . . . 17 VAL CG2 . 11307 1 160 . 1 1 17 17 VAL N N 15 120.148 0.300 . 1 . . . . 17 VAL N . 11307 1 161 . 1 1 18 18 GLU H H 1 9.255 0.030 . 1 . . . . 18 GLU H . 11307 1 162 . 1 1 18 18 GLU HA H 1 4.291 0.030 . 1 . . . . 18 GLU HA . 11307 1 163 . 1 1 18 18 GLU HB2 H 1 2.124 0.030 . 1 . . . . 18 GLU HB2 . 11307 1 164 . 1 1 18 18 GLU HB3 H 1 2.124 0.030 . 1 . . . . 18 GLU HB3 . 11307 1 165 . 1 1 18 18 GLU HG2 H 1 2.399 0.030 . 1 . . . . 18 GLU HG2 . 11307 1 166 . 1 1 18 18 GLU HG3 H 1 2.399 0.030 . 1 . . . . 18 GLU HG3 . 11307 1 167 . 1 1 18 18 GLU C C 13 177.862 0.300 . 1 . . . . 18 GLU C . 11307 1 168 . 1 1 18 18 GLU CA C 13 59.197 0.300 . 1 . . . . 18 GLU CA . 11307 1 169 . 1 1 18 18 GLU CB C 13 28.284 0.300 . 1 . . . . 18 GLU CB . 11307 1 170 . 1 1 18 18 GLU CG C 13 36.738 0.300 . 1 . . . . 18 GLU CG . 11307 1 171 . 1 1 18 18 GLU N N 15 119.668 0.300 . 1 . . . . 18 GLU N . 11307 1 172 . 1 1 19 19 GLN H H 1 8.197 0.030 . 1 . . . . 19 GLN H . 11307 1 173 . 1 1 19 19 GLN HA H 1 4.498 0.030 . 1 . . . . 19 GLN HA . 11307 1 174 . 1 1 19 19 GLN HB2 H 1 2.472 0.030 . 2 . . . . 19 GLN HB2 . 11307 1 175 . 1 1 19 19 GLN HB3 H 1 2.019 0.030 . 2 . . . . 19 GLN HB3 . 11307 1 176 . 1 1 19 19 GLN HE21 H 1 7.661 0.030 . 2 . . . . 19 GLN HE21 . 11307 1 177 . 1 1 19 19 GLN HE22 H 1 6.859 0.030 . 2 . . . . 19 GLN HE22 . 11307 1 178 . 1 1 19 19 GLN HG2 H 1 2.478 0.030 . 2 . . . . 19 GLN HG2 . 11307 1 179 . 1 1 19 19 GLN HG3 H 1 2.359 0.030 . 2 . . . . 19 GLN HG3 . 11307 1 180 . 1 1 19 19 GLN C C 13 174.178 0.300 . 1 . . . . 19 GLN C . 11307 1 181 . 1 1 19 19 GLN CA C 13 55.552 0.300 . 1 . . . . 19 GLN CA . 11307 1 182 . 1 1 19 19 GLN CB C 13 29.343 0.300 . 1 . . . . 19 GLN CB . 11307 1 183 . 1 1 19 19 GLN CG C 13 34.764 0.300 . 1 . . . . 19 GLN CG . 11307 1 184 . 1 1 19 19 GLN N N 15 118.045 0.300 . 1 . . . . 19 GLN N . 11307 1 185 . 1 1 19 19 GLN NE2 N 15 111.084 0.300 . 1 . . . . 19 GLN NE2 . 11307 1 186 . 1 1 20 20 MET H H 1 7.658 0.030 . 1 . . . . 20 MET H . 11307 1 187 . 1 1 20 20 MET HA H 1 5.066 0.030 . 1 . . . . 20 MET HA . 11307 1 188 . 1 1 20 20 MET HB2 H 1 2.032 0.030 . 2 . . . . 20 MET HB2 . 11307 1 189 . 1 1 20 20 MET HB3 H 1 1.881 0.030 . 2 . . . . 20 MET HB3 . 11307 1 190 . 1 1 20 20 MET HE1 H 1 1.733 0.030 . 1 . . . . 20 MET HE . 11307 1 191 . 1 1 20 20 MET HE2 H 1 1.733 0.030 . 1 . . . . 20 MET HE . 11307 1 192 . 1 1 20 20 MET HE3 H 1 1.733 0.030 . 1 . . . . 20 MET HE . 11307 1 193 . 1 1 20 20 MET HG2 H 1 2.293 0.030 . 2 . . . . 20 MET HG2 . 11307 1 194 . 1 1 20 20 MET HG3 H 1 2.492 0.030 . 2 . . . . 20 MET HG3 . 11307 1 195 . 1 1 20 20 MET C C 13 175.268 0.300 . 1 . . . . 20 MET C . 11307 1 196 . 1 1 20 20 MET CA C 13 54.111 0.300 . 1 . . . . 20 MET CA . 11307 1 197 . 1 1 20 20 MET CB C 13 34.042 0.300 . 1 . . . . 20 MET CB . 11307 1 198 . 1 1 20 20 MET CE C 13 17.454 0.300 . 1 . . . . 20 MET CE . 11307 1 199 . 1 1 20 20 MET CG C 13 32.461 0.300 . 1 . . . . 20 MET CG . 11307 1 200 . 1 1 20 20 MET N N 15 118.687 0.300 . 1 . . . . 20 MET N . 11307 1 201 . 1 1 21 21 THR H H 1 9.351 0.030 . 1 . . . . 21 THR H . 11307 1 202 . 1 1 21 21 THR HA H 1 4.469 0.030 . 1 . . . . 21 THR HA . 11307 1 203 . 1 1 21 21 THR HB H 1 3.679 0.030 . 1 . . . . 21 THR HB . 11307 1 204 . 1 1 21 21 THR HG21 H 1 1.081 0.030 . 1 . . . . 21 THR HG2 . 11307 1 205 . 1 1 21 21 THR HG22 H 1 1.081 0.030 . 1 . . . . 21 THR HG2 . 11307 1 206 . 1 1 21 21 THR HG23 H 1 1.081 0.030 . 1 . . . . 21 THR HG2 . 11307 1 207 . 1 1 21 21 THR C C 13 171.912 0.300 . 1 . . . . 21 THR C . 11307 1 208 . 1 1 21 21 THR CA C 13 62.895 0.300 . 1 . . . . 21 THR CA . 11307 1 209 . 1 1 21 21 THR CB C 13 72.671 0.300 . 1 . . . . 21 THR CB . 11307 1 210 . 1 1 21 21 THR CG2 C 13 21.357 0.300 . 1 . . . . 21 THR CG2 . 11307 1 211 . 1 1 21 21 THR N N 15 117.624 0.300 . 1 . . . . 21 THR N . 11307 1 212 . 1 1 22 22 THR H H 1 8.355 0.030 . 1 . . . . 22 THR H . 11307 1 213 . 1 1 22 22 THR HA H 1 4.918 0.030 . 1 . . . . 22 THR HA . 11307 1 214 . 1 1 22 22 THR HB H 1 3.819 0.030 . 1 . . . . 22 THR HB . 11307 1 215 . 1 1 22 22 THR HG21 H 1 0.913 0.030 . 1 . . . . 22 THR HG2 . 11307 1 216 . 1 1 22 22 THR HG22 H 1 0.913 0.030 . 1 . . . . 22 THR HG2 . 11307 1 217 . 1 1 22 22 THR HG23 H 1 0.913 0.030 . 1 . . . . 22 THR HG2 . 11307 1 218 . 1 1 22 22 THR C C 13 174.735 0.300 . 1 . . . . 22 THR C . 11307 1 219 . 1 1 22 22 THR CA C 13 61.016 0.300 . 1 . . . . 22 THR CA . 11307 1 220 . 1 1 22 22 THR CB C 13 70.026 0.300 . 1 . . . . 22 THR CB . 11307 1 221 . 1 1 22 22 THR CG2 C 13 20.864 0.300 . 1 . . . . 22 THR CG2 . 11307 1 222 . 1 1 22 22 THR N N 15 122.253 0.300 . 1 . . . . 22 THR N . 11307 1 223 . 1 1 23 23 ILE H H 1 8.905 0.030 . 1 . . . . 23 ILE H . 11307 1 224 . 1 1 23 23 ILE HA H 1 3.984 0.030 . 1 . . . . 23 ILE HA . 11307 1 225 . 1 1 23 23 ILE HB H 1 2.464 0.030 . 1 . . . . 23 ILE HB . 11307 1 226 . 1 1 23 23 ILE HD11 H 1 1.020 0.030 . 1 . . . . 23 ILE HD1 . 11307 1 227 . 1 1 23 23 ILE HD12 H 1 1.020 0.030 . 1 . . . . 23 ILE HD1 . 11307 1 228 . 1 1 23 23 ILE HD13 H 1 1.020 0.030 . 1 . . . . 23 ILE HD1 . 11307 1 229 . 1 1 23 23 ILE HG12 H 1 1.026 0.030 . 2 . . . . 23 ILE HG12 . 11307 1 230 . 1 1 23 23 ILE HG13 H 1 1.802 0.030 . 2 . . . . 23 ILE HG13 . 11307 1 231 . 1 1 23 23 ILE HG21 H 1 1.126 0.030 . 1 . . . . 23 ILE HG2 . 11307 1 232 . 1 1 23 23 ILE HG22 H 1 1.126 0.030 . 1 . . . . 23 ILE HG2 . 11307 1 233 . 1 1 23 23 ILE HG23 H 1 1.126 0.030 . 1 . . . . 23 ILE HG2 . 11307 1 234 . 1 1 23 23 ILE C C 13 177.207 0.300 . 1 . . . . 23 ILE C . 11307 1 235 . 1 1 23 23 ILE CA C 13 61.898 0.300 . 1 . . . . 23 ILE CA . 11307 1 236 . 1 1 23 23 ILE CB C 13 37.291 0.300 . 1 . . . . 23 ILE CB . 11307 1 237 . 1 1 23 23 ILE CD1 C 13 14.119 0.300 . 1 . . . . 23 ILE CD1 . 11307 1 238 . 1 1 23 23 ILE CG1 C 13 27.855 0.300 . 1 . . . . 23 ILE CG1 . 11307 1 239 . 1 1 23 23 ILE CG2 C 13 19.794 0.300 . 1 . . . . 23 ILE CG2 . 11307 1 240 . 1 1 23 23 ILE N N 15 130.231 0.300 . 1 . . . . 23 ILE N . 11307 1 241 . 1 1 24 24 ALA H H 1 10.245 0.030 . 1 . . . . 24 ALA H . 11307 1 242 . 1 1 24 24 ALA HA H 1 3.890 0.030 . 1 . . . . 24 ALA HA . 11307 1 243 . 1 1 24 24 ALA HB1 H 1 1.435 0.030 . 1 . . . . 24 ALA HB . 11307 1 244 . 1 1 24 24 ALA HB2 H 1 1.435 0.030 . 1 . . . . 24 ALA HB . 11307 1 245 . 1 1 24 24 ALA HB3 H 1 1.435 0.030 . 1 . . . . 24 ALA HB . 11307 1 246 . 1 1 24 24 ALA C C 13 181.873 0.300 . 1 . . . . 24 ALA C . 11307 1 247 . 1 1 24 24 ALA CA C 13 56.252 0.300 . 1 . . . . 24 ALA CA . 11307 1 248 . 1 1 24 24 ALA CB C 13 18.209 0.300 . 1 . . . . 24 ALA CB . 11307 1 249 . 1 1 24 24 ALA N N 15 133.297 0.300 . 1 . . . . 24 ALA N . 11307 1 250 . 1 1 25 25 GLN H H 1 9.761 0.030 . 1 . . . . 25 GLN H . 11307 1 251 . 1 1 25 25 GLN HA H 1 4.019 0.030 . 1 . . . . 25 GLN HA . 11307 1 252 . 1 1 25 25 GLN HB2 H 1 2.086 0.030 . 2 . . . . 25 GLN HB2 . 11307 1 253 . 1 1 25 25 GLN HB3 H 1 2.167 0.030 . 2 . . . . 25 GLN HB3 . 11307 1 254 . 1 1 25 25 GLN HE21 H 1 6.910 0.030 . 2 . . . . 25 GLN HE21 . 11307 1 255 . 1 1 25 25 GLN HE22 H 1 7.591 0.030 . 2 . . . . 25 GLN HE22 . 11307 1 256 . 1 1 25 25 GLN HG2 H 1 2.375 0.030 . 2 . . . . 25 GLN HG2 . 11307 1 257 . 1 1 25 25 GLN HG3 H 1 2.768 0.030 . 2 . . . . 25 GLN HG3 . 11307 1 258 . 1 1 25 25 GLN C C 13 177.026 0.300 . 1 . . . . 25 GLN C . 11307 1 259 . 1 1 25 25 GLN CA C 13 60.094 0.300 . 1 . . . . 25 GLN CA . 11307 1 260 . 1 1 25 25 GLN CB C 13 29.331 0.300 . 1 . . . . 25 GLN CB . 11307 1 261 . 1 1 25 25 GLN CG C 13 34.435 0.300 . 1 . . . . 25 GLN CG . 11307 1 262 . 1 1 25 25 GLN N N 15 115.805 0.300 . 1 . . . . 25 GLN N . 11307 1 263 . 1 1 25 25 GLN NE2 N 15 111.095 0.300 . 1 . . . . 25 GLN NE2 . 11307 1 264 . 1 1 26 26 CYS H H 1 7.292 0.030 . 1 . . . . 26 CYS H . 11307 1 265 . 1 1 26 26 CYS HA H 1 4.617 0.030 . 1 . . . . 26 CYS HA . 11307 1 266 . 1 1 26 26 CYS HB2 H 1 3.069 0.030 . 2 . . . . 26 CYS HB2 . 11307 1 267 . 1 1 26 26 CYS HB3 H 1 2.306 0.030 . 2 . . . . 26 CYS HB3 . 11307 1 268 . 1 1 26 26 CYS C C 13 175.789 0.300 . 1 . . . . 26 CYS C . 11307 1 269 . 1 1 26 26 CYS CA C 13 56.773 0.300 . 1 . . . . 26 CYS CA . 11307 1 270 . 1 1 26 26 CYS CB C 13 34.329 0.300 . 1 . . . . 26 CYS CB . 11307 1 271 . 1 1 26 26 CYS N N 15 111.126 0.300 . 1 . . . . 26 CYS N . 11307 1 272 . 1 1 27 27 GLN H H 1 8.403 0.030 . 1 . . . . 27 GLN H . 11307 1 273 . 1 1 27 27 GLN HA H 1 3.902 0.030 . 1 . . . . 27 GLN HA . 11307 1 274 . 1 1 27 27 GLN HB2 H 1 2.308 0.030 . 2 . . . . 27 GLN HB2 . 11307 1 275 . 1 1 27 27 GLN HB3 H 1 2.467 0.030 . 2 . . . . 27 GLN HB3 . 11307 1 276 . 1 1 27 27 GLN HE21 H 1 7.682 0.030 . 2 . . . . 27 GLN HE21 . 11307 1 277 . 1 1 27 27 GLN HE22 H 1 6.944 0.030 . 2 . . . . 27 GLN HE22 . 11307 1 278 . 1 1 27 27 GLN HG2 H 1 2.194 0.030 . 1 . . . . 27 GLN HG2 . 11307 1 279 . 1 1 27 27 GLN HG3 H 1 2.194 0.030 . 1 . . . . 27 GLN HG3 . 11307 1 280 . 1 1 27 27 GLN C C 13 175.486 0.300 . 1 . . . . 27 GLN C . 11307 1 281 . 1 1 27 27 GLN CA C 13 57.888 0.300 . 1 . . . . 27 GLN CA . 11307 1 282 . 1 1 27 27 GLN CB C 13 25.679 0.300 . 1 . . . . 27 GLN CB . 11307 1 283 . 1 1 27 27 GLN CG C 13 34.599 0.300 . 1 . . . . 27 GLN CG . 11307 1 284 . 1 1 27 27 GLN N N 15 117.093 0.300 . 1 . . . . 27 GLN N . 11307 1 285 . 1 1 27 27 GLN NE2 N 15 115.594 0.300 . 1 . . . . 27 GLN NE2 . 11307 1 286 . 1 1 28 28 CYS H H 1 8.332 0.030 . 1 . . . . 28 CYS H . 11307 1 287 . 1 1 28 28 CYS HA H 1 3.934 0.030 . 1 . . . . 28 CYS HA . 11307 1 288 . 1 1 28 28 CYS HB2 H 1 2.794 0.030 . 1 . . . . 28 CYS HB2 . 11307 1 289 . 1 1 28 28 CYS HB3 H 1 2.794 0.030 . 1 . . . . 28 CYS HB3 . 11307 1 290 . 1 1 28 28 CYS C C 13 173.644 0.300 . 1 . . . . 28 CYS C . 11307 1 291 . 1 1 28 28 CYS CA C 13 63.164 0.300 . 1 . . . . 28 CYS CA . 11307 1 292 . 1 1 28 28 CYS CB C 13 32.561 0.300 . 1 . . . . 28 CYS CB . 11307 1 293 . 1 1 28 28 CYS N N 15 123.601 0.300 . 1 . . . . 28 CYS N . 11307 1 294 . 1 1 29 29 ILE H H 1 7.354 0.030 . 1 . . . . 29 ILE H . 11307 1 295 . 1 1 29 29 ILE HA H 1 4.937 0.030 . 1 . . . . 29 ILE HA . 11307 1 296 . 1 1 29 29 ILE HB H 1 1.418 0.030 . 1 . . . . 29 ILE HB . 11307 1 297 . 1 1 29 29 ILE HD11 H 1 0.758 0.030 . 1 . . . . 29 ILE HD1 . 11307 1 298 . 1 1 29 29 ILE HD12 H 1 0.758 0.030 . 1 . . . . 29 ILE HD1 . 11307 1 299 . 1 1 29 29 ILE HD13 H 1 0.758 0.030 . 1 . . . . 29 ILE HD1 . 11307 1 300 . 1 1 29 29 ILE HG12 H 1 0.876 0.030 . 2 . . . . 29 ILE HG12 . 11307 1 301 . 1 1 29 29 ILE HG13 H 1 1.470 0.030 . 2 . . . . 29 ILE HG13 . 11307 1 302 . 1 1 29 29 ILE HG21 H 1 0.719 0.030 . 1 . . . . 29 ILE HG2 . 11307 1 303 . 1 1 29 29 ILE HG22 H 1 0.719 0.030 . 1 . . . . 29 ILE HG2 . 11307 1 304 . 1 1 29 29 ILE HG23 H 1 0.719 0.030 . 1 . . . . 29 ILE HG2 . 11307 1 305 . 1 1 29 29 ILE C C 13 173.462 0.300 . 1 . . . . 29 ILE C . 11307 1 306 . 1 1 29 29 ILE CA C 13 59.522 0.300 . 1 . . . . 29 ILE CA . 11307 1 307 . 1 1 29 29 ILE CB C 13 41.198 0.300 . 1 . . . . 29 ILE CB . 11307 1 308 . 1 1 29 29 ILE CD1 C 13 14.284 0.300 . 1 . . . . 29 ILE CD1 . 11307 1 309 . 1 1 29 29 ILE CG1 C 13 27.855 0.300 . 1 . . . . 29 ILE CG1 . 11307 1 310 . 1 1 29 29 ILE CG2 C 13 16.664 0.300 . 1 . . . . 29 ILE CG2 . 11307 1 311 . 1 1 29 29 ILE N N 15 118.820 0.300 . 1 . . . . 29 ILE N . 11307 1 312 . 1 1 30 30 PHE H H 1 8.356 0.030 . 1 . . . . 30 PHE H . 11307 1 313 . 1 1 30 30 PHE HA H 1 5.083 0.030 . 1 . . . . 30 PHE HA . 11307 1 314 . 1 1 30 30 PHE HB2 H 1 3.450 0.030 . 2 . . . . 30 PHE HB2 . 11307 1 315 . 1 1 30 30 PHE HB3 H 1 2.344 0.030 . 2 . . . . 30 PHE HB3 . 11307 1 316 . 1 1 30 30 PHE HD1 H 1 7.121 0.030 . 1 . . . . 30 PHE HD1 . 11307 1 317 . 1 1 30 30 PHE HD2 H 1 7.121 0.030 . 1 . . . . 30 PHE HD2 . 11307 1 318 . 1 1 30 30 PHE HE1 H 1 7.238 0.030 . 1 . . . . 30 PHE HE1 . 11307 1 319 . 1 1 30 30 PHE HE2 H 1 7.238 0.030 . 1 . . . . 30 PHE HE2 . 11307 1 320 . 1 1 30 30 PHE HZ H 1 7.252 0.030 . 1 . . . . 30 PHE HZ . 11307 1 321 . 1 1 30 30 PHE C C 13 174.565 0.300 . 1 . . . . 30 PHE C . 11307 1 322 . 1 1 30 30 PHE CA C 13 55.773 0.300 . 1 . . . . 30 PHE CA . 11307 1 323 . 1 1 30 30 PHE CB C 13 44.981 0.300 . 1 . . . . 30 PHE CB . 11307 1 324 . 1 1 30 30 PHE CD1 C 13 132.161 0.300 . 1 . . . . 30 PHE CD1 . 11307 1 325 . 1 1 30 30 PHE CD2 C 13 132.161 0.300 . 1 . . . . 30 PHE CD2 . 11307 1 326 . 1 1 30 30 PHE CE1 C 13 131.671 0.300 . 3 . . . . 30 PHE CE1 . 11307 1 327 . 1 1 30 30 PHE CE2 C 13 131.671 0.300 . 3 . . . . 30 PHE CE2 . 11307 1 328 . 1 1 30 30 PHE CZ C 13 129.837 0.300 . 1 . . . . 30 PHE CZ . 11307 1 329 . 1 1 30 30 PHE N N 15 121.078 0.300 . 1 . . . . 30 PHE N . 11307 1 330 . 1 1 31 31 CYS H H 1 10.363 0.030 . 1 . . . . 31 CYS H . 11307 1 331 . 1 1 31 31 CYS HA H 1 5.230 0.030 . 1 . . . . 31 CYS HA . 11307 1 332 . 1 1 31 31 CYS HB2 H 1 2.844 0.030 . 2 . . . . 31 CYS HB2 . 11307 1 333 . 1 1 31 31 CYS HB3 H 1 2.593 0.030 . 2 . . . . 31 CYS HB3 . 11307 1 334 . 1 1 31 31 CYS C C 13 175.789 0.300 . 1 . . . . 31 CYS C . 11307 1 335 . 1 1 31 31 CYS CA C 13 59.574 0.300 . 1 . . . . 31 CYS CA . 11307 1 336 . 1 1 31 31 CYS CB C 13 30.381 0.300 . 1 . . . . 31 CYS CB . 11307 1 337 . 1 1 31 31 CYS N N 15 124.174 0.300 . 1 . . . . 31 CYS N . 11307 1 338 . 1 1 32 32 THR H H 1 8.708 0.030 . 1 . . . . 32 THR H . 11307 1 339 . 1 1 32 32 THR HA H 1 3.641 0.030 . 1 . . . . 32 THR HA . 11307 1 340 . 1 1 32 32 THR HB H 1 3.848 0.030 . 1 . . . . 32 THR HB . 11307 1 341 . 1 1 32 32 THR HG21 H 1 1.159 0.030 . 1 . . . . 32 THR HG2 . 11307 1 342 . 1 1 32 32 THR HG22 H 1 1.159 0.030 . 1 . . . . 32 THR HG2 . 11307 1 343 . 1 1 32 32 THR HG23 H 1 1.159 0.030 . 1 . . . . 32 THR HG2 . 11307 1 344 . 1 1 32 32 THR C C 13 175.692 0.300 . 1 . . . . 32 THR C . 11307 1 345 . 1 1 32 32 THR CA C 13 66.630 0.300 . 1 . . . . 32 THR CA . 11307 1 346 . 1 1 32 32 THR CB C 13 68.444 0.300 . 1 . . . . 32 THR CB . 11307 1 347 . 1 1 32 32 THR CG2 C 13 22.210 0.300 . 1 . . . . 32 THR CG2 . 11307 1 348 . 1 1 32 32 THR N N 15 120.673 0.300 . 1 . . . . 32 THR N . 11307 1 349 . 1 1 33 33 LEU H H 1 8.076 0.030 . 1 . . . . 33 LEU H . 11307 1 350 . 1 1 33 33 LEU HA H 1 4.060 0.030 . 1 . . . . 33 LEU HA . 11307 1 351 . 1 1 33 33 LEU HB2 H 1 1.661 0.030 . 2 . . . . 33 LEU HB2 . 11307 1 352 . 1 1 33 33 LEU HB3 H 1 1.776 0.030 . 2 . . . . 33 LEU HB3 . 11307 1 353 . 1 1 33 33 LEU HD11 H 1 0.887 0.030 . 1 . . . . 33 LEU HD1 . 11307 1 354 . 1 1 33 33 LEU HD12 H 1 0.887 0.030 . 1 . . . . 33 LEU HD1 . 11307 1 355 . 1 1 33 33 LEU HD13 H 1 0.887 0.030 . 1 . . . . 33 LEU HD1 . 11307 1 356 . 1 1 33 33 LEU HD21 H 1 0.925 0.030 . 1 . . . . 33 LEU HD2 . 11307 1 357 . 1 1 33 33 LEU HD22 H 1 0.925 0.030 . 1 . . . . 33 LEU HD2 . 11307 1 358 . 1 1 33 33 LEU HD23 H 1 0.925 0.030 . 1 . . . . 33 LEU HD2 . 11307 1 359 . 1 1 33 33 LEU HG H 1 1.666 0.030 . 1 . . . . 33 LEU HG . 11307 1 360 . 1 1 33 33 LEU C C 13 180.152 0.300 . 1 . . . . 33 LEU C . 11307 1 361 . 1 1 33 33 LEU CA C 13 58.915 0.300 . 1 . . . . 33 LEU CA . 11307 1 362 . 1 1 33 33 LEU CB C 13 41.298 0.300 . 1 . . . . 33 LEU CB . 11307 1 363 . 1 1 33 33 LEU CD1 C 13 23.795 0.300 . 2 . . . . 33 LEU CD1 . 11307 1 364 . 1 1 33 33 LEU CD2 C 13 24.325 0.300 . 2 . . . . 33 LEU CD2 . 11307 1 365 . 1 1 33 33 LEU CG C 13 26.965 0.300 . 1 . . . . 33 LEU CG . 11307 1 366 . 1 1 33 33 LEU N N 15 120.679 0.300 . 1 . . . . 33 LEU N . 11307 1 367 . 1 1 34 34 CYS HA H 1 3.852 0.030 . 1 . . . . 34 CYS HA . 11307 1 368 . 1 1 34 34 CYS HB2 H 1 3.164 0.030 . 2 . . . . 34 CYS HB2 . 11307 1 369 . 1 1 34 34 CYS HB3 H 1 2.829 0.030 . 2 . . . . 34 CYS HB3 . 11307 1 370 . 1 1 34 34 CYS C C 13 179.546 0.300 . 1 . . . . 34 CYS C . 11307 1 371 . 1 1 34 34 CYS CA C 13 65.687 0.300 . 1 . . . . 34 CYS CA . 11307 1 372 . 1 1 34 34 CYS CB C 13 29.645 0.300 . 1 . . . . 34 CYS CB . 11307 1 373 . 1 1 35 35 LEU H H 1 8.205 0.030 . 1 . . . . 35 LEU H . 11307 1 374 . 1 1 35 35 LEU HA H 1 3.878 0.030 . 1 . . . . 35 LEU HA . 11307 1 375 . 1 1 35 35 LEU HB2 H 1 1.881 0.030 . 2 . . . . 35 LEU HB2 . 11307 1 376 . 1 1 35 35 LEU HB3 H 1 1.406 0.030 . 2 . . . . 35 LEU HB3 . 11307 1 377 . 1 1 35 35 LEU HD11 H 1 0.784 0.030 . 1 . . . . 35 LEU HD1 . 11307 1 378 . 1 1 35 35 LEU HD12 H 1 0.784 0.030 . 1 . . . . 35 LEU HD1 . 11307 1 379 . 1 1 35 35 LEU HD13 H 1 0.784 0.030 . 1 . . . . 35 LEU HD1 . 11307 1 380 . 1 1 35 35 LEU HD21 H 1 0.652 0.030 . 1 . . . . 35 LEU HD2 . 11307 1 381 . 1 1 35 35 LEU HD22 H 1 0.652 0.030 . 1 . . . . 35 LEU HD2 . 11307 1 382 . 1 1 35 35 LEU HD23 H 1 0.652 0.030 . 1 . . . . 35 LEU HD2 . 11307 1 383 . 1 1 35 35 LEU HG H 1 1.556 0.030 . 1 . . . . 35 LEU HG . 11307 1 384 . 1 1 35 35 LEU C C 13 177.413 0.300 . 1 . . . . 35 LEU C . 11307 1 385 . 1 1 35 35 LEU CA C 13 57.805 0.300 . 1 . . . . 35 LEU CA . 11307 1 386 . 1 1 35 35 LEU CB C 13 42.225 0.300 . 1 . . . . 35 LEU CB . 11307 1 387 . 1 1 35 35 LEU CD1 C 13 26.128 0.300 . 2 . . . . 35 LEU CD1 . 11307 1 388 . 1 1 35 35 LEU CD2 C 13 24.071 0.300 . 2 . . . . 35 LEU CD2 . 11307 1 389 . 1 1 35 35 LEU CG C 13 26.967 0.300 . 1 . . . . 35 LEU CG . 11307 1 390 . 1 1 35 35 LEU N N 15 121.034 0.300 . 1 . . . . 35 LEU N . 11307 1 391 . 1 1 36 36 LYS H H 1 9.018 0.030 . 1 . . . . 36 LYS H . 11307 1 392 . 1 1 36 36 LYS HA H 1 3.801 0.030 . 1 . . . . 36 LYS HA . 11307 1 393 . 1 1 36 36 LYS HB2 H 1 1.897 0.030 . 2 . . . . 36 LYS HB2 . 11307 1 394 . 1 1 36 36 LYS HB3 H 1 1.942 0.030 . 2 . . . . 36 LYS HB3 . 11307 1 395 . 1 1 36 36 LYS HD2 H 1 1.635 0.030 . 2 . . . . 36 LYS HD2 . 11307 1 396 . 1 1 36 36 LYS HD3 H 1 1.739 0.030 . 2 . . . . 36 LYS HD3 . 11307 1 397 . 1 1 36 36 LYS HE2 H 1 3.109 0.030 . 2 . . . . 36 LYS HE2 . 11307 1 398 . 1 1 36 36 LYS HE3 H 1 3.056 0.030 . 2 . . . . 36 LYS HE3 . 11307 1 399 . 1 1 36 36 LYS HG2 H 1 1.305 0.030 . 2 . . . . 36 LYS HG2 . 11307 1 400 . 1 1 36 36 LYS HG3 H 1 1.445 0.030 . 2 . . . . 36 LYS HG3 . 11307 1 401 . 1 1 36 36 LYS C C 13 177.946 0.300 . 1 . . . . 36 LYS C . 11307 1 402 . 1 1 36 36 LYS CA C 13 60.518 0.300 . 1 . . . . 36 LYS CA . 11307 1 403 . 1 1 36 36 LYS CB C 13 33.384 0.300 . 1 . . . . 36 LYS CB . 11307 1 404 . 1 1 36 36 LYS CD C 13 30.400 0.300 . 1 . . . . 36 LYS CD . 11307 1 405 . 1 1 36 36 LYS CE C 13 42.166 0.300 . 1 . . . . 36 LYS CE . 11307 1 406 . 1 1 36 36 LYS CG C 13 24.894 0.300 . 1 . . . . 36 LYS CG . 11307 1 407 . 1 1 36 36 LYS N N 15 120.210 0.300 . 1 . . . . 36 LYS N . 11307 1 408 . 1 1 37 37 GLN H H 1 7.738 0.030 . 1 . . . . 37 GLN H . 11307 1 409 . 1 1 37 37 GLN HA H 1 4.089 0.030 . 1 . . . . 37 GLN HA . 11307 1 410 . 1 1 37 37 GLN HB2 H 1 2.132 0.030 . 2 . . . . 37 GLN HB2 . 11307 1 411 . 1 1 37 37 GLN HB3 H 1 2.189 0.030 . 2 . . . . 37 GLN HB3 . 11307 1 412 . 1 1 37 37 GLN HE21 H 1 7.339 0.030 . 2 . . . . 37 GLN HE21 . 11307 1 413 . 1 1 37 37 GLN HE22 H 1 6.905 0.030 . 2 . . . . 37 GLN HE22 . 11307 1 414 . 1 1 37 37 GLN HG2 H 1 2.410 0.030 . 2 . . . . 37 GLN HG2 . 11307 1 415 . 1 1 37 37 GLN HG3 H 1 2.569 0.030 . 2 . . . . 37 GLN HG3 . 11307 1 416 . 1 1 37 37 GLN C C 13 178.007 0.300 . 1 . . . . 37 GLN C . 11307 1 417 . 1 1 37 37 GLN CA C 13 59.103 0.300 . 1 . . . . 37 GLN CA . 11307 1 418 . 1 1 37 37 GLN CB C 13 28.860 0.300 . 1 . . . . 37 GLN CB . 11307 1 419 . 1 1 37 37 GLN CG C 13 34.363 0.300 . 1 . . . . 37 GLN CG . 11307 1 420 . 1 1 37 37 GLN N N 15 116.827 0.300 . 1 . . . . 37 GLN N . 11307 1 421 . 1 1 37 37 GLN NE2 N 15 111.084 0.300 . 1 . . . . 37 GLN NE2 . 11307 1 422 . 1 1 38 38 TYR H H 1 7.756 0.030 . 1 . . . . 38 TYR H . 11307 1 423 . 1 1 38 38 TYR HA H 1 4.257 0.030 . 1 . . . . 38 TYR HA . 11307 1 424 . 1 1 38 38 TYR HB2 H 1 3.171 0.030 . 2 . . . . 38 TYR HB2 . 11307 1 425 . 1 1 38 38 TYR HB3 H 1 3.112 0.030 . 2 . . . . 38 TYR HB3 . 11307 1 426 . 1 1 38 38 TYR HD1 H 1 7.013 0.030 . 1 . . . . 38 TYR HD1 . 11307 1 427 . 1 1 38 38 TYR HD2 H 1 7.013 0.030 . 1 . . . . 38 TYR HD2 . 11307 1 428 . 1 1 38 38 TYR HE1 H 1 6.692 0.030 . 1 . . . . 38 TYR HE1 . 11307 1 429 . 1 1 38 38 TYR HE2 H 1 6.692 0.030 . 1 . . . . 38 TYR HE2 . 11307 1 430 . 1 1 38 38 TYR C C 13 176.553 0.300 . 1 . . . . 38 TYR C . 11307 1 431 . 1 1 38 38 TYR CA C 13 60.540 0.300 . 1 . . . . 38 TYR CA . 11307 1 432 . 1 1 38 38 TYR CB C 13 38.031 0.300 . 1 . . . . 38 TYR CB . 11307 1 433 . 1 1 38 38 TYR CD1 C 13 133.352 0.300 . 1 . . . . 38 TYR CD1 . 11307 1 434 . 1 1 38 38 TYR CD2 C 13 133.352 0.300 . 1 . . . . 38 TYR CD2 . 11307 1 435 . 1 1 38 38 TYR CE1 C 13 118.142 0.300 . 1 . . . . 38 TYR CE1 . 11307 1 436 . 1 1 38 38 TYR CE2 C 13 118.142 0.300 . 1 . . . . 38 TYR CE2 . 11307 1 437 . 1 1 38 38 TYR N N 15 120.414 0.300 . 1 . . . . 38 TYR N . 11307 1 438 . 1 1 39 39 VAL H H 1 8.487 0.030 . 1 . . . . 39 VAL H . 11307 1 439 . 1 1 39 39 VAL HA H 1 3.184 0.030 . 1 . . . . 39 VAL HA . 11307 1 440 . 1 1 39 39 VAL HB H 1 2.008 0.030 . 1 . . . . 39 VAL HB . 11307 1 441 . 1 1 39 39 VAL HG11 H 1 1.072 0.030 . 1 . . . . 39 VAL HG1 . 11307 1 442 . 1 1 39 39 VAL HG12 H 1 1.072 0.030 . 1 . . . . 39 VAL HG1 . 11307 1 443 . 1 1 39 39 VAL HG13 H 1 1.072 0.030 . 1 . . . . 39 VAL HG1 . 11307 1 444 . 1 1 39 39 VAL HG21 H 1 0.814 0.030 . 1 . . . . 39 VAL HG2 . 11307 1 445 . 1 1 39 39 VAL HG22 H 1 0.814 0.030 . 1 . . . . 39 VAL HG2 . 11307 1 446 . 1 1 39 39 VAL HG23 H 1 0.814 0.030 . 1 . . . . 39 VAL HG2 . 11307 1 447 . 1 1 39 39 VAL C C 13 177.692 0.300 . 1 . . . . 39 VAL C . 11307 1 448 . 1 1 39 39 VAL CA C 13 66.720 0.300 . 1 . . . . 39 VAL CA . 11307 1 449 . 1 1 39 39 VAL CB C 13 31.985 0.300 . 1 . . . . 39 VAL CB . 11307 1 450 . 1 1 39 39 VAL CG1 C 13 24.291 0.300 . 2 . . . . 39 VAL CG1 . 11307 1 451 . 1 1 39 39 VAL CG2 C 13 23.533 0.300 . 2 . . . . 39 VAL CG2 . 11307 1 452 . 1 1 39 39 VAL N N 15 118.156 0.300 . 1 . . . . 39 VAL N . 11307 1 453 . 1 1 40 40 GLU H H 1 8.591 0.030 . 1 . . . . 40 GLU H . 11307 1 454 . 1 1 40 40 GLU HA H 1 3.687 0.030 . 1 . . . . 40 GLU HA . 11307 1 455 . 1 1 40 40 GLU HB2 H 1 1.923 0.030 . 2 . . . . 40 GLU HB2 . 11307 1 456 . 1 1 40 40 GLU HB3 H 1 2.166 0.030 . 2 . . . . 40 GLU HB3 . 11307 1 457 . 1 1 40 40 GLU HG2 H 1 2.071 0.030 . 2 . . . . 40 GLU HG2 . 11307 1 458 . 1 1 40 40 GLU HG3 H 1 2.811 0.030 . 2 . . . . 40 GLU HG3 . 11307 1 459 . 1 1 40 40 GLU C C 13 178.940 0.300 . 1 . . . . 40 GLU C . 11307 1 460 . 1 1 40 40 GLU CA C 13 61.034 0.300 . 1 . . . . 40 GLU CA . 11307 1 461 . 1 1 40 40 GLU CB C 13 29.395 0.300 . 1 . . . . 40 GLU CB . 11307 1 462 . 1 1 40 40 GLU CG C 13 38.712 0.300 . 1 . . . . 40 GLU CG . 11307 1 463 . 1 1 40 40 GLU N N 15 117.226 0.300 . 1 . . . . 40 GLU N . 11307 1 464 . 1 1 41 41 LEU H H 1 7.864 0.030 . 1 . . . . 41 LEU H . 11307 1 465 . 1 1 41 41 LEU HA H 1 4.044 0.030 . 1 . . . . 41 LEU HA . 11307 1 466 . 1 1 41 41 LEU HB2 H 1 1.761 0.030 . 1 . . . . 41 LEU HB2 . 11307 1 467 . 1 1 41 41 LEU HB3 H 1 1.761 0.030 . 1 . . . . 41 LEU HB3 . 11307 1 468 . 1 1 41 41 LEU HD11 H 1 0.893 0.030 . 1 . . . . 41 LEU HD1 . 11307 1 469 . 1 1 41 41 LEU HD12 H 1 0.893 0.030 . 1 . . . . 41 LEU HD1 . 11307 1 470 . 1 1 41 41 LEU HD13 H 1 0.893 0.030 . 1 . . . . 41 LEU HD1 . 11307 1 471 . 1 1 41 41 LEU HD21 H 1 0.931 0.030 . 1 . . . . 41 LEU HD2 . 11307 1 472 . 1 1 41 41 LEU HD22 H 1 0.931 0.030 . 1 . . . . 41 LEU HD2 . 11307 1 473 . 1 1 41 41 LEU HD23 H 1 0.931 0.030 . 1 . . . . 41 LEU HD2 . 11307 1 474 . 1 1 41 41 LEU HG H 1 1.577 0.030 . 1 . . . . 41 LEU HG . 11307 1 475 . 1 1 41 41 LEU C C 13 179.328 0.300 . 1 . . . . 41 LEU C . 11307 1 476 . 1 1 41 41 LEU CA C 13 58.353 0.300 . 1 . . . . 41 LEU CA . 11307 1 477 . 1 1 41 41 LEU CB C 13 41.403 0.300 . 1 . . . . 41 LEU CB . 11307 1 478 . 1 1 41 41 LEU CD1 C 13 23.797 0.300 . 2 . . . . 41 LEU CD1 . 11307 1 479 . 1 1 41 41 LEU CD2 C 13 24.590 0.300 . 2 . . . . 41 LEU CD2 . 11307 1 480 . 1 1 41 41 LEU CG C 13 27.229 0.300 . 1 . . . . 41 LEU CG . 11307 1 481 . 1 1 41 41 LEU N N 15 119.085 0.300 . 1 . . . . 41 LEU N . 11307 1 482 . 1 1 42 42 LEU H H 1 7.373 0.030 . 1 . . . . 42 LEU H . 11307 1 483 . 1 1 42 42 LEU HA H 1 3.980 0.030 . 1 . . . . 42 LEU HA . 11307 1 484 . 1 1 42 42 LEU HB2 H 1 1.290 0.030 . 2 . . . . 42 LEU HB2 . 11307 1 485 . 1 1 42 42 LEU HB3 H 1 1.634 0.030 . 2 . . . . 42 LEU HB3 . 11307 1 486 . 1 1 42 42 LEU HD11 H 1 0.530 0.030 . 1 . . . . 42 LEU HD1 . 11307 1 487 . 1 1 42 42 LEU HD12 H 1 0.530 0.030 . 1 . . . . 42 LEU HD1 . 11307 1 488 . 1 1 42 42 LEU HD13 H 1 0.530 0.030 . 1 . . . . 42 LEU HD1 . 11307 1 489 . 1 1 42 42 LEU HD21 H 1 0.753 0.030 . 1 . . . . 42 LEU HD2 . 11307 1 490 . 1 1 42 42 LEU HD22 H 1 0.753 0.030 . 1 . . . . 42 LEU HD2 . 11307 1 491 . 1 1 42 42 LEU HD23 H 1 0.753 0.030 . 1 . . . . 42 LEU HD2 . 11307 1 492 . 1 1 42 42 LEU HG H 1 1.462 0.030 . 1 . . . . 42 LEU HG . 11307 1 493 . 1 1 42 42 LEU C C 13 180.746 0.300 . 1 . . . . 42 LEU C . 11307 1 494 . 1 1 42 42 LEU CA C 13 57.980 0.300 . 1 . . . . 42 LEU CA . 11307 1 495 . 1 1 42 42 LEU CB C 13 41.650 0.300 . 1 . . . . 42 LEU CB . 11307 1 496 . 1 1 42 42 LEU CD1 C 13 26.045 0.300 . 2 . . . . 42 LEU CD1 . 11307 1 497 . 1 1 42 42 LEU CD2 C 13 23.533 0.300 . 2 . . . . 42 LEU CD2 . 11307 1 498 . 1 1 42 42 LEU CG C 13 27.758 0.300 . 1 . . . . 42 LEU CG . 11307 1 499 . 1 1 42 42 LEU N N 15 119.351 0.300 . 1 . . . . 42 LEU N . 11307 1 500 . 1 1 43 43 ILE H H 1 8.141 0.030 . 1 . . . . 43 ILE H . 11307 1 501 . 1 1 43 43 ILE HA H 1 3.772 0.030 . 1 . . . . 43 ILE HA . 11307 1 502 . 1 1 43 43 ILE HB H 1 1.722 0.030 . 1 . . . . 43 ILE HB . 11307 1 503 . 1 1 43 43 ILE HD11 H 1 0.579 0.030 . 1 . . . . 43 ILE HD1 . 11307 1 504 . 1 1 43 43 ILE HD12 H 1 0.579 0.030 . 1 . . . . 43 ILE HD1 . 11307 1 505 . 1 1 43 43 ILE HD13 H 1 0.579 0.030 . 1 . . . . 43 ILE HD1 . 11307 1 506 . 1 1 43 43 ILE HG12 H 1 1.840 0.030 . 2 . . . . 43 ILE HG12 . 11307 1 507 . 1 1 43 43 ILE HG13 H 1 0.968 0.030 . 2 . . . . 43 ILE HG13 . 11307 1 508 . 1 1 43 43 ILE HG21 H 1 0.966 0.030 . 1 . . . . 43 ILE HG2 . 11307 1 509 . 1 1 43 43 ILE HG22 H 1 0.966 0.030 . 1 . . . . 43 ILE HG2 . 11307 1 510 . 1 1 43 43 ILE HG23 H 1 0.966 0.030 . 1 . . . . 43 ILE HG2 . 11307 1 511 . 1 1 43 43 ILE C C 13 178.722 0.300 . 1 . . . . 43 ILE C . 11307 1 512 . 1 1 43 43 ILE CA C 13 65.244 0.300 . 1 . . . . 43 ILE CA . 11307 1 513 . 1 1 43 43 ILE CB C 13 38.061 0.300 . 1 . . . . 43 ILE CB . 11307 1 514 . 1 1 43 43 ILE CD1 C 13 14.613 0.300 . 1 . . . . 43 ILE CD1 . 11307 1 515 . 1 1 43 43 ILE CG1 C 13 29.481 0.300 . 1 . . . . 43 ILE CG1 . 11307 1 516 . 1 1 43 43 ILE CG2 C 13 17.985 0.300 . 1 . . . . 43 ILE CG2 . 11307 1 517 . 1 1 43 43 ILE N N 15 119.882 0.300 . 1 . . . . 43 ILE N . 11307 1 518 . 1 1 44 44 LYS H H 1 8.443 0.030 . 1 . . . . 44 LYS H . 11307 1 519 . 1 1 44 44 LYS HA H 1 3.894 0.030 . 1 . . . . 44 LYS HA . 11307 1 520 . 1 1 44 44 LYS HB2 H 1 1.964 0.030 . 1 . . . . 44 LYS HB2 . 11307 1 521 . 1 1 44 44 LYS HB3 H 1 1.964 0.030 . 1 . . . . 44 LYS HB3 . 11307 1 522 . 1 1 44 44 LYS HD2 H 1 1.688 0.030 . 1 . . . . 44 LYS HD2 . 11307 1 523 . 1 1 44 44 LYS HD3 H 1 1.688 0.030 . 1 . . . . 44 LYS HD3 . 11307 1 524 . 1 1 44 44 LYS HE2 H 1 2.930 0.030 . 2 . . . . 44 LYS HE2 . 11307 1 525 . 1 1 44 44 LYS HE3 H 1 3.001 0.030 . 2 . . . . 44 LYS HE3 . 11307 1 526 . 1 1 44 44 LYS HG2 H 1 1.371 0.030 . 2 . . . . 44 LYS HG2 . 11307 1 527 . 1 1 44 44 LYS HG3 H 1 1.623 0.030 . 2 . . . . 44 LYS HG3 . 11307 1 528 . 1 1 44 44 LYS C C 13 178.661 0.300 . 1 . . . . 44 LYS C . 11307 1 529 . 1 1 44 44 LYS CA C 13 60.278 0.300 . 1 . . . . 44 LYS CA . 11307 1 530 . 1 1 44 44 LYS CB C 13 32.513 0.300 . 1 . . . . 44 LYS CB . 11307 1 531 . 1 1 44 44 LYS CD C 13 29.607 0.300 . 1 . . . . 44 LYS CD . 11307 1 532 . 1 1 44 44 LYS CE C 13 42.002 0.300 . 1 . . . . 44 LYS CE . 11307 1 533 . 1 1 44 44 LYS CG C 13 25.644 0.300 . 1 . . . . 44 LYS CG . 11307 1 534 . 1 1 44 44 LYS N N 15 121.343 0.300 . 1 . . . . 44 LYS N . 11307 1 535 . 1 1 45 45 GLU H H 1 8.091 0.030 . 1 . . . . 45 GLU H . 11307 1 536 . 1 1 45 45 GLU HA H 1 4.181 0.030 . 1 . . . . 45 GLU HA . 11307 1 537 . 1 1 45 45 GLU HB2 H 1 2.170 0.030 . 2 . . . . 45 GLU HB2 . 11307 1 538 . 1 1 45 45 GLU HB3 H 1 2.117 0.030 . 2 . . . . 45 GLU HB3 . 11307 1 539 . 1 1 45 45 GLU HG2 H 1 2.259 0.030 . 2 . . . . 45 GLU HG2 . 11307 1 540 . 1 1 45 45 GLU HG3 H 1 2.431 0.030 . 2 . . . . 45 GLU HG3 . 11307 1 541 . 1 1 45 45 GLU C C 13 178.177 0.300 . 1 . . . . 45 GLU C . 11307 1 542 . 1 1 45 45 GLU CA C 13 58.125 0.300 . 1 . . . . 45 GLU CA . 11307 1 543 . 1 1 45 45 GLU CB C 13 29.847 0.300 . 1 . . . . 45 GLU CB . 11307 1 544 . 1 1 45 45 GLU CG C 13 36.820 0.300 . 1 . . . . 45 GLU CG . 11307 1 545 . 1 1 45 45 GLU N N 15 117.529 0.300 . 1 . . . . 45 GLU N . 11307 1 546 . 1 1 46 46 GLY H H 1 7.712 0.030 . 1 . . . . 46 GLY H . 11307 1 547 . 1 1 46 46 GLY HA2 H 1 3.967 0.030 . 2 . . . . 46 GLY HA2 . 11307 1 548 . 1 1 46 46 GLY HA3 H 1 3.863 0.030 . 2 . . . . 46 GLY HA3 . 11307 1 549 . 1 1 46 46 GLY C C 13 173.863 0.300 . 1 . . . . 46 GLY C . 11307 1 550 . 1 1 46 46 GLY CA C 13 46.574 0.300 . 1 . . . . 46 GLY CA . 11307 1 551 . 1 1 46 46 GLY N N 15 106.069 0.300 . 1 . . . . 46 GLY N . 11307 1 552 . 1 1 47 47 LEU H H 1 8.108 0.030 . 1 . . . . 47 LEU H . 11307 1 553 . 1 1 47 47 LEU HA H 1 4.338 0.030 . 1 . . . . 47 LEU HA . 11307 1 554 . 1 1 47 47 LEU HB2 H 1 1.679 0.030 . 2 . . . . 47 LEU HB2 . 11307 1 555 . 1 1 47 47 LEU HB3 H 1 1.627 0.030 . 2 . . . . 47 LEU HB3 . 11307 1 556 . 1 1 47 47 LEU HD11 H 1 0.877 0.030 . 1 . . . . 47 LEU HD1 . 11307 1 557 . 1 1 47 47 LEU HD12 H 1 0.877 0.030 . 1 . . . . 47 LEU HD1 . 11307 1 558 . 1 1 47 47 LEU HD13 H 1 0.877 0.030 . 1 . . . . 47 LEU HD1 . 11307 1 559 . 1 1 47 47 LEU HD21 H 1 0.934 0.030 . 1 . . . . 47 LEU HD2 . 11307 1 560 . 1 1 47 47 LEU HD22 H 1 0.934 0.030 . 1 . . . . 47 LEU HD2 . 11307 1 561 . 1 1 47 47 LEU HD23 H 1 0.934 0.030 . 1 . . . . 47 LEU HD2 . 11307 1 562 . 1 1 47 47 LEU HG H 1 1.575 0.030 . 1 . . . . 47 LEU HG . 11307 1 563 . 1 1 47 47 LEU C C 13 177.147 0.300 . 1 . . . . 47 LEU C . 11307 1 564 . 1 1 47 47 LEU CA C 13 55.854 0.300 . 1 . . . . 47 LEU CA . 11307 1 565 . 1 1 47 47 LEU CB C 13 42.817 0.300 . 1 . . . . 47 LEU CB . 11307 1 566 . 1 1 47 47 LEU CD1 C 13 24.323 0.300 . 2 . . . . 47 LEU CD1 . 11307 1 567 . 1 1 47 47 LEU CD2 C 13 24.851 0.300 . 2 . . . . 47 LEU CD2 . 11307 1 568 . 1 1 47 47 LEU CG C 13 27.229 0.300 . 1 . . . . 47 LEU CG . 11307 1 569 . 1 1 47 47 LEU N N 15 120.281 0.300 . 1 . . . . 47 LEU N . 11307 1 570 . 1 1 48 48 GLU H H 1 8.464 0.030 . 1 . . . . 48 GLU H . 11307 1 571 . 1 1 48 48 GLU HA H 1 4.471 0.030 . 1 . . . . 48 GLU HA . 11307 1 572 . 1 1 48 48 GLU HB2 H 1 2.175 0.030 . 2 . . . . 48 GLU HB2 . 11307 1 573 . 1 1 48 48 GLU HB3 H 1 1.833 0.030 . 2 . . . . 48 GLU HB3 . 11307 1 574 . 1 1 48 48 GLU HG2 H 1 2.273 0.030 . 2 . . . . 48 GLU HG2 . 11307 1 575 . 1 1 48 48 GLU HG3 H 1 2.339 0.030 . 2 . . . . 48 GLU HG3 . 11307 1 576 . 1 1 48 48 GLU C C 13 175.801 0.300 . 1 . . . . 48 GLU C . 11307 1 577 . 1 1 48 48 GLU CA C 13 55.885 0.300 . 1 . . . . 48 GLU CA . 11307 1 578 . 1 1 48 48 GLU CB C 13 31.246 0.300 . 1 . . . . 48 GLU CB . 11307 1 579 . 1 1 48 48 GLU CG C 13 36.162 0.300 . 1 . . . . 48 GLU CG . 11307 1 580 . 1 1 48 48 GLU N N 15 120.281 0.300 . 1 . . . . 48 GLU N . 11307 1 581 . 1 1 49 49 THR H H 1 7.870 0.030 . 1 . . . . 49 THR H . 11307 1 582 . 1 1 49 49 THR HA H 1 4.353 0.030 . 1 . . . . 49 THR HA . 11307 1 583 . 1 1 49 49 THR HB H 1 4.283 0.030 . 1 . . . . 49 THR HB . 11307 1 584 . 1 1 49 49 THR HG21 H 1 1.057 0.030 . 1 . . . . 49 THR HG2 . 11307 1 585 . 1 1 49 49 THR HG22 H 1 1.057 0.030 . 1 . . . . 49 THR HG2 . 11307 1 586 . 1 1 49 49 THR HG23 H 1 1.057 0.030 . 1 . . . . 49 THR HG2 . 11307 1 587 . 1 1 49 49 THR C C 13 173.935 0.300 . 1 . . . . 49 THR C . 11307 1 588 . 1 1 49 49 THR CA C 13 61.241 0.300 . 1 . . . . 49 THR CA . 11307 1 589 . 1 1 49 49 THR CB C 13 69.765 0.300 . 1 . . . . 49 THR CB . 11307 1 590 . 1 1 49 49 THR CG2 C 13 21.851 0.300 . 1 . . . . 49 THR CG2 . 11307 1 591 . 1 1 49 49 THR N N 15 110.186 0.300 . 1 . . . . 49 THR N . 11307 1 592 . 1 1 50 50 ALA H H 1 8.215 0.030 . 1 . . . . 50 ALA H . 11307 1 593 . 1 1 50 50 ALA HA H 1 4.516 0.030 . 1 . . . . 50 ALA HA . 11307 1 594 . 1 1 50 50 ALA HB1 H 1 1.259 0.030 . 1 . . . . 50 ALA HB . 11307 1 595 . 1 1 50 50 ALA HB2 H 1 1.259 0.030 . 1 . . . . 50 ALA HB . 11307 1 596 . 1 1 50 50 ALA HB3 H 1 1.259 0.030 . 1 . . . . 50 ALA HB . 11307 1 597 . 1 1 50 50 ALA C C 13 176.662 0.300 . 1 . . . . 50 ALA C . 11307 1 598 . 1 1 50 50 ALA CA C 13 51.764 0.300 . 1 . . . . 50 ALA CA . 11307 1 599 . 1 1 50 50 ALA CB C 13 19.319 0.300 . 1 . . . . 50 ALA CB . 11307 1 600 . 1 1 50 50 ALA N N 15 125.062 0.300 . 1 . . . . 50 ALA N . 11307 1 601 . 1 1 51 51 ILE H H 1 9.090 0.030 . 1 . . . . 51 ILE H . 11307 1 602 . 1 1 51 51 ILE HA H 1 4.121 0.030 . 1 . . . . 51 ILE HA . 11307 1 603 . 1 1 51 51 ILE HB H 1 1.933 0.030 . 1 . . . . 51 ILE HB . 11307 1 604 . 1 1 51 51 ILE HD11 H 1 0.680 0.030 . 1 . . . . 51 ILE HD1 . 11307 1 605 . 1 1 51 51 ILE HD12 H 1 0.680 0.030 . 1 . . . . 51 ILE HD1 . 11307 1 606 . 1 1 51 51 ILE HD13 H 1 0.680 0.030 . 1 . . . . 51 ILE HD1 . 11307 1 607 . 1 1 51 51 ILE HG12 H 1 1.511 0.030 . 2 . . . . 51 ILE HG12 . 11307 1 608 . 1 1 51 51 ILE HG13 H 1 1.231 0.030 . 2 . . . . 51 ILE HG13 . 11307 1 609 . 1 1 51 51 ILE HG21 H 1 0.938 0.030 . 1 . . . . 51 ILE HG2 . 11307 1 610 . 1 1 51 51 ILE HG22 H 1 0.938 0.030 . 1 . . . . 51 ILE HG2 . 11307 1 611 . 1 1 51 51 ILE HG23 H 1 0.938 0.030 . 1 . . . . 51 ILE HG2 . 11307 1 612 . 1 1 51 51 ILE C C 13 175.692 0.300 . 1 . . . . 51 ILE C . 11307 1 613 . 1 1 51 51 ILE CA C 13 60.739 0.300 . 1 . . . . 51 ILE CA . 11307 1 614 . 1 1 51 51 ILE CB C 13 37.002 0.300 . 1 . . . . 51 ILE CB . 11307 1 615 . 1 1 51 51 ILE CD1 C 13 12.367 0.300 . 1 . . . . 51 ILE CD1 . 11307 1 616 . 1 1 51 51 ILE CG1 C 13 27.493 0.300 . 1 . . . . 51 ILE CG1 . 11307 1 617 . 1 1 51 51 ILE CG2 C 13 18.596 0.300 . 1 . . . . 51 ILE CG2 . 11307 1 618 . 1 1 51 51 ILE N N 15 123.685 0.300 . 1 . . . . 51 ILE N . 11307 1 619 . 1 1 52 52 SER H H 1 8.768 0.030 . 1 . . . . 52 SER H . 11307 1 620 . 1 1 52 52 SER HA H 1 4.289 0.030 . 1 . . . . 52 SER HA . 11307 1 621 . 1 1 52 52 SER HB2 H 1 3.737 0.030 . 2 . . . . 52 SER HB2 . 11307 1 622 . 1 1 52 52 SER HB3 H 1 3.791 0.030 . 2 . . . . 52 SER HB3 . 11307 1 623 . 1 1 52 52 SER C C 13 173.996 0.300 . 1 . . . . 52 SER C . 11307 1 624 . 1 1 52 52 SER CA C 13 58.895 0.300 . 1 . . . . 52 SER CA . 11307 1 625 . 1 1 52 52 SER CB C 13 64.504 0.300 . 1 . . . . 52 SER CB . 11307 1 626 . 1 1 52 52 SER N N 15 123.893 0.300 . 1 . . . . 52 SER N . 11307 1 627 . 1 1 53 53 CYS H H 1 7.927 0.030 . 1 . . . . 53 CYS H . 11307 1 628 . 1 1 53 53 CYS HA H 1 3.967 0.030 . 1 . . . . 53 CYS HA . 11307 1 629 . 1 1 53 53 CYS HB2 H 1 2.763 0.030 . 2 . . . . 53 CYS HB2 . 11307 1 630 . 1 1 53 53 CYS HB3 H 1 2.644 0.030 . 2 . . . . 53 CYS HB3 . 11307 1 631 . 1 1 53 53 CYS C C 13 175.062 0.300 . 1 . . . . 53 CYS C . 11307 1 632 . 1 1 53 53 CYS CA C 13 58.106 0.300 . 1 . . . . 53 CYS CA . 11307 1 633 . 1 1 53 53 CYS CB C 13 30.664 0.300 . 1 . . . . 53 CYS CB . 11307 1 634 . 1 1 53 53 CYS N N 15 126.922 0.300 . 1 . . . . 53 CYS N . 11307 1 635 . 1 1 54 54 PRO HA H 1 3.790 0.030 . 1 . . . . 54 PRO HA . 11307 1 636 . 1 1 54 54 PRO HB2 H 1 1.010 0.030 . 2 . . . . 54 PRO HB2 . 11307 1 637 . 1 1 54 54 PRO HB3 H 1 0.306 0.030 . 2 . . . . 54 PRO HB3 . 11307 1 638 . 1 1 54 54 PRO HD2 H 1 2.812 0.030 . 2 . . . . 54 PRO HD2 . 11307 1 639 . 1 1 54 54 PRO HD3 H 1 3.863 0.030 . 2 . . . . 54 PRO HD3 . 11307 1 640 . 1 1 54 54 PRO HG2 H 1 0.157 0.030 . 1 . . . . 54 PRO HG2 . 11307 1 641 . 1 1 54 54 PRO HG3 H 1 0.157 0.030 . 1 . . . . 54 PRO HG3 . 11307 1 642 . 1 1 54 54 PRO CA C 13 63.952 0.300 . 1 . . . . 54 PRO CA . 11307 1 643 . 1 1 54 54 PRO CB C 13 30.716 0.300 . 1 . . . . 54 PRO CB . 11307 1 644 . 1 1 54 54 PRO CD C 13 50.478 0.300 . 1 . . . . 54 PRO CD . 11307 1 645 . 1 1 54 54 PRO CG C 13 25.382 0.300 . 1 . . . . 54 PRO CG . 11307 1 646 . 1 1 55 55 ASP H H 1 8.332 0.030 . 1 . . . . 55 ASP H . 11307 1 647 . 1 1 55 55 ASP HA H 1 4.614 0.030 . 1 . . . . 55 ASP HA . 11307 1 648 . 1 1 55 55 ASP HB2 H 1 2.544 0.030 . 2 . . . . 55 ASP HB2 . 11307 1 649 . 1 1 55 55 ASP HB3 H 1 3.354 0.030 . 2 . . . . 55 ASP HB3 . 11307 1 650 . 1 1 55 55 ASP C C 13 177.074 0.300 . 1 . . . . 55 ASP C . 11307 1 651 . 1 1 55 55 ASP CA C 13 53.442 0.300 . 1 . . . . 55 ASP CA . 11307 1 652 . 1 1 55 55 ASP CB C 13 41.342 0.300 . 1 . . . . 55 ASP CB . 11307 1 653 . 1 1 55 55 ASP N N 15 117.884 0.300 . 1 . . . . 55 ASP N . 11307 1 654 . 1 1 56 56 ALA H H 1 9.034 0.030 . 1 . . . . 56 ALA H . 11307 1 655 . 1 1 56 56 ALA HA H 1 4.144 0.030 . 1 . . . . 56 ALA HA . 11307 1 656 . 1 1 56 56 ALA HB1 H 1 1.490 0.030 . 1 . . . . 56 ALA HB . 11307 1 657 . 1 1 56 56 ALA HB2 H 1 1.490 0.030 . 1 . . . . 56 ALA HB . 11307 1 658 . 1 1 56 56 ALA HB3 H 1 1.490 0.030 . 1 . . . . 56 ALA HB . 11307 1 659 . 1 1 56 56 ALA C C 13 178.237 0.300 . 1 . . . . 56 ALA C . 11307 1 660 . 1 1 56 56 ALA CA C 13 54.746 0.300 . 1 . . . . 56 ALA CA . 11307 1 661 . 1 1 56 56 ALA CB C 13 18.250 0.300 . 1 . . . . 56 ALA CB . 11307 1 662 . 1 1 56 56 ALA N N 15 133.532 0.300 . 1 . . . . 56 ALA N . 11307 1 663 . 1 1 57 57 ALA H H 1 8.507 0.030 . 1 . . . . 57 ALA H . 11307 1 664 . 1 1 57 57 ALA HA H 1 4.489 0.030 . 1 . . . . 57 ALA HA . 11307 1 665 . 1 1 57 57 ALA HB1 H 1 1.344 0.030 . 1 . . . . 57 ALA HB . 11307 1 666 . 1 1 57 57 ALA HB2 H 1 1.344 0.030 . 1 . . . . 57 ALA HB . 11307 1 667 . 1 1 57 57 ALA HB3 H 1 1.344 0.030 . 1 . . . . 57 ALA HB . 11307 1 668 . 1 1 57 57 ALA C C 13 175.899 0.300 . 1 . . . . 57 ALA C . 11307 1 669 . 1 1 57 57 ALA CA C 13 50.334 0.300 . 1 . . . . 57 ALA CA . 11307 1 670 . 1 1 57 57 ALA CB C 13 18.250 0.300 . 1 . . . . 57 ALA CB . 11307 1 671 . 1 1 57 57 ALA N N 15 120.209 0.300 . 1 . . . . 57 ALA N . 11307 1 672 . 1 1 58 58 CYS H H 1 7.586 0.030 . 1 . . . . 58 CYS H . 11307 1 673 . 1 1 58 58 CYS HA H 1 4.054 0.030 . 1 . . . . 58 CYS HA . 11307 1 674 . 1 1 58 58 CYS HB2 H 1 3.861 0.030 . 2 . . . . 58 CYS HB2 . 11307 1 675 . 1 1 58 58 CYS HB3 H 1 2.655 0.030 . 2 . . . . 58 CYS HB3 . 11307 1 676 . 1 1 58 58 CYS C C 13 177.922 0.300 . 1 . . . . 58 CYS C . 11307 1 677 . 1 1 58 58 CYS CA C 13 58.458 0.300 . 1 . . . . 58 CYS CA . 11307 1 678 . 1 1 58 58 CYS CB C 13 29.043 0.300 . 1 . . . . 58 CYS CB . 11307 1 679 . 1 1 58 58 CYS N N 15 124.939 0.300 . 1 . . . . 58 CYS N . 11307 1 680 . 1 1 59 59 PRO HA H 1 4.395 0.030 . 1 . . . . 59 PRO HA . 11307 1 681 . 1 1 59 59 PRO HB2 H 1 2.050 0.030 . 2 . . . . 59 PRO HB2 . 11307 1 682 . 1 1 59 59 PRO HB3 H 1 2.422 0.030 . 2 . . . . 59 PRO HB3 . 11307 1 683 . 1 1 59 59 PRO HD2 H 1 3.822 0.030 . 2 . . . . 59 PRO HD2 . 11307 1 684 . 1 1 59 59 PRO HD3 H 1 4.074 0.030 . 2 . . . . 59 PRO HD3 . 11307 1 685 . 1 1 59 59 PRO HG2 H 1 2.046 0.030 . 2 . . . . 59 PRO HG2 . 11307 1 686 . 1 1 59 59 PRO HG3 H 1 2.117 0.030 . 2 . . . . 59 PRO HG3 . 11307 1 687 . 1 1 59 59 PRO C C 13 177.753 0.300 . 1 . . . . 59 PRO C . 11307 1 688 . 1 1 59 59 PRO CA C 13 64.802 0.300 . 1 . . . . 59 PRO CA . 11307 1 689 . 1 1 59 59 PRO CB C 13 32.727 0.300 . 1 . . . . 59 PRO CB . 11307 1 690 . 1 1 59 59 PRO CD C 13 51.901 0.300 . 1 . . . . 59 PRO CD . 11307 1 691 . 1 1 59 59 PRO CG C 13 27.322 0.300 . 1 . . . . 59 PRO CG . 11307 1 692 . 1 1 60 60 LYS H H 1 8.083 0.030 . 1 . . . . 60 LYS H . 11307 1 693 . 1 1 60 60 LYS HA H 1 4.595 0.030 . 1 . . . . 60 LYS HA . 11307 1 694 . 1 1 60 60 LYS HB2 H 1 1.342 0.030 . 2 . . . . 60 LYS HB2 . 11307 1 695 . 1 1 60 60 LYS HB3 H 1 2.080 0.030 . 2 . . . . 60 LYS HB3 . 11307 1 696 . 1 1 60 60 LYS HD2 H 1 1.755 0.030 . 1 . . . . 60 LYS HD2 . 11307 1 697 . 1 1 60 60 LYS HD3 H 1 1.755 0.030 . 1 . . . . 60 LYS HD3 . 11307 1 698 . 1 1 60 60 LYS HE2 H 1 3.029 0.030 . 1 . . . . 60 LYS HE2 . 11307 1 699 . 1 1 60 60 LYS HE3 H 1 3.029 0.030 . 1 . . . . 60 LYS HE3 . 11307 1 700 . 1 1 60 60 LYS HG2 H 1 1.404 0.030 . 2 . . . . 60 LYS HG2 . 11307 1 701 . 1 1 60 60 LYS HG3 H 1 1.527 0.030 . 2 . . . . 60 LYS HG3 . 11307 1 702 . 1 1 60 60 LYS C C 13 174.856 0.300 . 1 . . . . 60 LYS C . 11307 1 703 . 1 1 60 60 LYS CA C 13 54.413 0.300 . 1 . . . . 60 LYS CA . 11307 1 704 . 1 1 60 60 LYS CB C 13 33.795 0.300 . 1 . . . . 60 LYS CB . 11307 1 705 . 1 1 60 60 LYS CD C 13 29.006 0.300 . 1 . . . . 60 LYS CD . 11307 1 706 . 1 1 60 60 LYS CE C 13 42.331 0.300 . 1 . . . . 60 LYS CE . 11307 1 707 . 1 1 60 60 LYS CG C 13 25.634 0.300 . 1 . . . . 60 LYS CG . 11307 1 708 . 1 1 60 60 LYS N N 15 117.949 0.300 . 1 . . . . 60 LYS N . 11307 1 709 . 1 1 61 61 GLN H H 1 7.926 0.030 . 1 . . . . 61 GLN H . 11307 1 710 . 1 1 61 61 GLN HA H 1 3.906 0.030 . 1 . . . . 61 GLN HA . 11307 1 711 . 1 1 61 61 GLN HB2 H 1 2.107 0.030 . 2 . . . . 61 GLN HB2 . 11307 1 712 . 1 1 61 61 GLN HB3 H 1 2.204 0.030 . 2 . . . . 61 GLN HB3 . 11307 1 713 . 1 1 61 61 GLN HE21 H 1 7.648 0.030 . 2 . . . . 61 GLN HE21 . 11307 1 714 . 1 1 61 61 GLN HE22 H 1 6.637 0.030 . 2 . . . . 61 GLN HE22 . 11307 1 715 . 1 1 61 61 GLN HG2 H 1 2.294 0.030 . 2 . . . . 61 GLN HG2 . 11307 1 716 . 1 1 61 61 GLN HG3 H 1 2.368 0.030 . 2 . . . . 61 GLN HG3 . 11307 1 717 . 1 1 61 61 GLN C C 13 176.007 0.300 . 1 . . . . 61 GLN C . 11307 1 718 . 1 1 61 61 GLN CA C 13 57.308 0.300 . 1 . . . . 61 GLN CA . 11307 1 719 . 1 1 61 61 GLN CB C 13 26.506 0.300 . 1 . . . . 61 GLN CB . 11307 1 720 . 1 1 61 61 GLN CG C 13 34.517 0.300 . 1 . . . . 61 GLN CG . 11307 1 721 . 1 1 61 61 GLN N N 15 119.749 0.300 . 1 . . . . 61 GLN N . 11307 1 722 . 1 1 61 61 GLN NE2 N 15 112.858 0.300 . 1 . . . . 61 GLN NE2 . 11307 1 723 . 1 1 62 62 GLY H H 1 9.244 0.030 . 1 . . . . 62 GLY H . 11307 1 724 . 1 1 62 62 GLY HA2 H 1 4.222 0.030 . 2 . . . . 62 GLY HA2 . 11307 1 725 . 1 1 62 62 GLY HA3 H 1 3.919 0.030 . 2 . . . . 62 GLY HA3 . 11307 1 726 . 1 1 62 62 GLY C C 13 174.553 0.300 . 1 . . . . 62 GLY C . 11307 1 727 . 1 1 62 62 GLY CA C 13 45.154 0.300 . 1 . . . . 62 GLY CA . 11307 1 728 . 1 1 62 62 GLY N N 15 108.061 0.300 . 1 . . . . 62 GLY N . 11307 1 729 . 1 1 63 63 HIS H H 1 8.098 0.030 . 1 . . . . 63 HIS H . 11307 1 730 . 1 1 63 63 HIS HA H 1 5.079 0.030 . 1 . . . . 63 HIS HA . 11307 1 731 . 1 1 63 63 HIS HB2 H 1 3.188 0.030 . 2 . . . . 63 HIS HB2 . 11307 1 732 . 1 1 63 63 HIS HB3 H 1 2.930 0.030 . 2 . . . . 63 HIS HB3 . 11307 1 733 . 1 1 63 63 HIS HD2 H 1 6.758 0.030 . 1 . . . . 63 HIS HD2 . 11307 1 734 . 1 1 63 63 HIS HE1 H 1 8.290 0.030 . 1 . . . . 63 HIS HE1 . 11307 1 735 . 1 1 63 63 HIS C C 13 173.972 0.300 . 1 . . . . 63 HIS C . 11307 1 736 . 1 1 63 63 HIS CA C 13 55.225 0.300 . 1 . . . . 63 HIS CA . 11307 1 737 . 1 1 63 63 HIS CB C 13 31.962 0.300 . 1 . . . . 63 HIS CB . 11307 1 738 . 1 1 63 63 HIS CD2 C 13 119.937 0.300 . 1 . . . . 63 HIS CD2 . 11307 1 739 . 1 1 63 63 HIS CE1 C 13 137.546 0.300 . 1 . . . . 63 HIS CE1 . 11307 1 740 . 1 1 63 63 HIS N N 15 116.966 0.300 . 1 . . . . 63 HIS N . 11307 1 741 . 1 1 64 64 LEU H H 1 8.642 0.030 . 1 . . . . 64 LEU H . 11307 1 742 . 1 1 64 64 LEU HA H 1 4.469 0.030 . 1 . . . . 64 LEU HA . 11307 1 743 . 1 1 64 64 LEU HB2 H 1 1.544 0.030 . 2 . . . . 64 LEU HB2 . 11307 1 744 . 1 1 64 64 LEU HB3 H 1 1.655 0.030 . 2 . . . . 64 LEU HB3 . 11307 1 745 . 1 1 64 64 LEU HD11 H 1 0.810 0.030 . 1 . . . . 64 LEU HD1 . 11307 1 746 . 1 1 64 64 LEU HD12 H 1 0.810 0.030 . 1 . . . . 64 LEU HD1 . 11307 1 747 . 1 1 64 64 LEU HD13 H 1 0.810 0.030 . 1 . . . . 64 LEU HD1 . 11307 1 748 . 1 1 64 64 LEU HD21 H 1 0.830 0.030 . 1 . . . . 64 LEU HD2 . 11307 1 749 . 1 1 64 64 LEU HD22 H 1 0.830 0.030 . 1 . . . . 64 LEU HD2 . 11307 1 750 . 1 1 64 64 LEU HD23 H 1 0.830 0.030 . 1 . . . . 64 LEU HD2 . 11307 1 751 . 1 1 64 64 LEU HG H 1 1.696 0.030 . 1 . . . . 64 LEU HG . 11307 1 752 . 1 1 64 64 LEU C C 13 177.122 0.300 . 1 . . . . 64 LEU C . 11307 1 753 . 1 1 64 64 LEU CA C 13 56.102 0.300 . 1 . . . . 64 LEU CA . 11307 1 754 . 1 1 64 64 LEU CB C 13 43.048 0.300 . 1 . . . . 64 LEU CB . 11307 1 755 . 1 1 64 64 LEU CD1 C 13 26.439 0.300 . 2 . . . . 64 LEU CD1 . 11307 1 756 . 1 1 64 64 LEU CD2 C 13 25.578 0.300 . 2 . . . . 64 LEU CD2 . 11307 1 757 . 1 1 64 64 LEU CG C 13 30.322 0.300 . 1 . . . . 64 LEU CG . 11307 1 758 . 1 1 64 64 LEU N N 15 122.499 0.300 . 1 . . . . 64 LEU N . 11307 1 759 . 1 1 65 65 GLN H H 1 9.788 0.030 . 1 . . . . 65 GLN H . 11307 1 760 . 1 1 65 65 GLN HA H 1 4.640 0.030 . 1 . . . . 65 GLN HA . 11307 1 761 . 1 1 65 65 GLN HB2 H 1 2.496 0.030 . 2 . . . . 65 GLN HB2 . 11307 1 762 . 1 1 65 65 GLN HB3 H 1 2.119 0.030 . 2 . . . . 65 GLN HB3 . 11307 1 763 . 1 1 65 65 GLN HE21 H 1 7.581 0.030 . 2 . . . . 65 GLN HE21 . 11307 1 764 . 1 1 65 65 GLN HE22 H 1 7.025 0.030 . 2 . . . . 65 GLN HE22 . 11307 1 765 . 1 1 65 65 GLN HG2 H 1 2.552 0.030 . 2 . . . . 65 GLN HG2 . 11307 1 766 . 1 1 65 65 GLN HG3 H 1 2.774 0.030 . 2 . . . . 65 GLN HG3 . 11307 1 767 . 1 1 65 65 GLN C C 13 177.947 0.300 . 1 . . . . 65 GLN C . 11307 1 768 . 1 1 65 65 GLN CA C 13 54.306 0.300 . 1 . . . . 65 GLN CA . 11307 1 769 . 1 1 65 65 GLN CB C 13 30.999 0.300 . 1 . . . . 65 GLN CB . 11307 1 770 . 1 1 65 65 GLN CG C 13 34.627 0.300 . 1 . . . . 65 GLN CG . 11307 1 771 . 1 1 65 65 GLN N N 15 121.875 0.300 . 1 . . . . 65 GLN N . 11307 1 772 . 1 1 65 65 GLN NE2 N 15 112.413 0.300 . 1 . . . . 65 GLN NE2 . 11307 1 773 . 1 1 66 66 GLU H H 1 9.221 0.030 . 1 . . . . 66 GLU H . 11307 1 774 . 1 1 66 66 GLU HA H 1 3.816 0.030 . 1 . . . . 66 GLU HA . 11307 1 775 . 1 1 66 66 GLU HB2 H 1 2.135 0.030 . 2 . . . . 66 GLU HB2 . 11307 1 776 . 1 1 66 66 GLU HB3 H 1 2.284 0.030 . 2 . . . . 66 GLU HB3 . 11307 1 777 . 1 1 66 66 GLU HG2 H 1 2.313 0.030 . 1 . . . . 66 GLU HG2 . 11307 1 778 . 1 1 66 66 GLU HG3 H 1 2.313 0.030 . 1 . . . . 66 GLU HG3 . 11307 1 779 . 1 1 66 66 GLU C C 13 177.656 0.300 . 1 . . . . 66 GLU C . 11307 1 780 . 1 1 66 66 GLU CA C 13 61.331 0.300 . 1 . . . . 66 GLU CA . 11307 1 781 . 1 1 66 66 GLU CB C 13 29.642 0.300 . 1 . . . . 66 GLU CB . 11307 1 782 . 1 1 66 66 GLU CG C 13 37.231 0.300 . 1 . . . . 66 GLU CG . 11307 1 783 . 1 1 66 66 GLU N N 15 123.305 0.300 . 1 . . . . 66 GLU N . 11307 1 784 . 1 1 67 67 ASN H H 1 8.736 0.030 . 1 . . . . 67 ASN H . 11307 1 785 . 1 1 67 67 ASN HA H 1 4.534 0.030 . 1 . . . . 67 ASN HA . 11307 1 786 . 1 1 67 67 ASN HB2 H 1 2.829 0.030 . 2 . . . . 67 ASN HB2 . 11307 1 787 . 1 1 67 67 ASN HB3 H 1 2.890 0.030 . 2 . . . . 67 ASN HB3 . 11307 1 788 . 1 1 67 67 ASN HD21 H 1 7.702 0.030 . 2 . . . . 67 ASN HD21 . 11307 1 789 . 1 1 67 67 ASN HD22 H 1 6.943 0.030 . 2 . . . . 67 ASN HD22 . 11307 1 790 . 1 1 67 67 ASN C C 13 177.219 0.300 . 1 . . . . 67 ASN C . 11307 1 791 . 1 1 67 67 ASN CA C 13 56.178 0.300 . 1 . . . . 67 ASN CA . 11307 1 792 . 1 1 67 67 ASN CB C 13 37.102 0.300 . 1 . . . . 67 ASN CB . 11307 1 793 . 1 1 67 67 ASN N N 15 113.743 0.300 . 1 . . . . 67 ASN N . 11307 1 794 . 1 1 67 67 ASN ND2 N 15 113.442 0.300 . 1 . . . . 67 ASN ND2 . 11307 1 795 . 1 1 68 68 GLU H H 1 7.267 0.030 . 1 . . . . 68 GLU H . 11307 1 796 . 1 1 68 68 GLU HA H 1 4.152 0.030 . 1 . . . . 68 GLU HA . 11307 1 797 . 1 1 68 68 GLU HB2 H 1 1.954 0.030 . 2 . . . . 68 GLU HB2 . 11307 1 798 . 1 1 68 68 GLU HB3 H 1 2.580 0.030 . 2 . . . . 68 GLU HB3 . 11307 1 799 . 1 1 68 68 GLU HG2 H 1 2.371 0.030 . 2 . . . . 68 GLU HG2 . 11307 1 800 . 1 1 68 68 GLU HG3 H 1 2.233 0.030 . 2 . . . . 68 GLU HG3 . 11307 1 801 . 1 1 68 68 GLU C C 13 178.262 0.300 . 1 . . . . 68 GLU C . 11307 1 802 . 1 1 68 68 GLU CA C 13 58.616 0.300 . 1 . . . . 68 GLU CA . 11307 1 803 . 1 1 68 68 GLU CB C 13 30.651 0.300 . 1 . . . . 68 GLU CB . 11307 1 804 . 1 1 68 68 GLU CG C 13 38.136 0.300 . 1 . . . . 68 GLU CG . 11307 1 805 . 1 1 68 68 GLU N N 15 119.882 0.300 . 1 . . . . 68 GLU N . 11307 1 806 . 1 1 69 69 ILE H H 1 7.554 0.030 . 1 . . . . 69 ILE H . 11307 1 807 . 1 1 69 69 ILE HA H 1 3.488 0.030 . 1 . . . . 69 ILE HA . 11307 1 808 . 1 1 69 69 ILE HB H 1 1.738 0.030 . 1 . . . . 69 ILE HB . 11307 1 809 . 1 1 69 69 ILE HD11 H 1 0.528 0.030 . 1 . . . . 69 ILE HD1 . 11307 1 810 . 1 1 69 69 ILE HD12 H 1 0.528 0.030 . 1 . . . . 69 ILE HD1 . 11307 1 811 . 1 1 69 69 ILE HD13 H 1 0.528 0.030 . 1 . . . . 69 ILE HD1 . 11307 1 812 . 1 1 69 69 ILE HG12 H 1 0.714 0.030 . 2 . . . . 69 ILE HG12 . 11307 1 813 . 1 1 69 69 ILE HG13 H 1 1.605 0.030 . 2 . . . . 69 ILE HG13 . 11307 1 814 . 1 1 69 69 ILE HG21 H 1 0.535 0.030 . 1 . . . . 69 ILE HG2 . 11307 1 815 . 1 1 69 69 ILE HG22 H 1 0.535 0.030 . 1 . . . . 69 ILE HG2 . 11307 1 816 . 1 1 69 69 ILE HG23 H 1 0.535 0.030 . 1 . . . . 69 ILE HG2 . 11307 1 817 . 1 1 69 69 ILE C C 13 178.019 0.300 . 1 . . . . 69 ILE C . 11307 1 818 . 1 1 69 69 ILE CA C 13 65.410 0.300 . 1 . . . . 69 ILE CA . 11307 1 819 . 1 1 69 69 ILE CB C 13 38.712 0.300 . 1 . . . . 69 ILE CB . 11307 1 820 . 1 1 69 69 ILE CD1 C 13 13.790 0.300 . 1 . . . . 69 ILE CD1 . 11307 1 821 . 1 1 69 69 ILE CG1 C 13 29.335 0.300 . 1 . . . . 69 ILE CG1 . 11307 1 822 . 1 1 69 69 ILE CG2 C 13 17.631 0.300 . 1 . . . . 69 ILE CG2 . 11307 1 823 . 1 1 69 69 ILE N N 15 118.687 0.300 . 1 . . . . 69 ILE N . 11307 1 824 . 1 1 70 70 GLU H H 1 8.288 0.030 . 1 . . . . 70 GLU H . 11307 1 825 . 1 1 70 70 GLU HA H 1 4.142 0.030 . 1 . . . . 70 GLU HA . 11307 1 826 . 1 1 70 70 GLU HB2 H 1 2.094 0.030 . 2 . . . . 70 GLU HB2 . 11307 1 827 . 1 1 70 70 GLU HB3 H 1 2.165 0.030 . 2 . . . . 70 GLU HB3 . 11307 1 828 . 1 1 70 70 GLU HG2 H 1 2.273 0.030 . 2 . . . . 70 GLU HG2 . 11307 1 829 . 1 1 70 70 GLU HG3 H 1 2.333 0.030 . 2 . . . . 70 GLU HG3 . 11307 1 830 . 1 1 70 70 GLU C C 13 177.959 0.300 . 1 . . . . 70 GLU C . 11307 1 831 . 1 1 70 70 GLU CA C 13 59.683 0.300 . 1 . . . . 70 GLU CA . 11307 1 832 . 1 1 70 70 GLU CB C 13 29.929 0.300 . 1 . . . . 70 GLU CB . 11307 1 833 . 1 1 70 70 GLU CG C 13 36.327 0.300 . 1 . . . . 70 GLU CG . 11307 1 834 . 1 1 70 70 GLU N N 15 118.484 0.300 . 1 . . . . 70 GLU N . 11307 1 835 . 1 1 71 71 CYS H H 1 7.255 0.030 . 1 . . . . 71 CYS H . 11307 1 836 . 1 1 71 71 CYS HA H 1 4.474 0.030 . 1 . . . . 71 CYS HA . 11307 1 837 . 1 1 71 71 CYS HB2 H 1 3.056 0.030 . 2 . . . . 71 CYS HB2 . 11307 1 838 . 1 1 71 71 CYS HB3 H 1 3.115 0.030 . 2 . . . . 71 CYS HB3 . 11307 1 839 . 1 1 71 71 CYS C C 13 175.075 0.300 . 1 . . . . 71 CYS C . 11307 1 840 . 1 1 71 71 CYS CA C 13 60.252 0.300 . 1 . . . . 71 CYS CA . 11307 1 841 . 1 1 71 71 CYS CB C 13 27.425 0.300 . 1 . . . . 71 CYS CB . 11307 1 842 . 1 1 71 71 CYS N N 15 111.780 0.300 . 1 . . . . 71 CYS N . 11307 1 843 . 1 1 72 72 MET H H 1 7.674 0.030 . 1 . . . . 72 MET H . 11307 1 844 . 1 1 72 72 MET HA H 1 4.560 0.030 . 1 . . . . 72 MET HA . 11307 1 845 . 1 1 72 72 MET HB2 H 1 1.954 0.030 . 2 . . . . 72 MET HB2 . 11307 1 846 . 1 1 72 72 MET HB3 H 1 2.195 0.030 . 2 . . . . 72 MET HB3 . 11307 1 847 . 1 1 72 72 MET HE1 H 1 1.972 0.030 . 1 . . . . 72 MET HE . 11307 1 848 . 1 1 72 72 MET HE2 H 1 1.972 0.030 . 1 . . . . 72 MET HE . 11307 1 849 . 1 1 72 72 MET HE3 H 1 1.972 0.030 . 1 . . . . 72 MET HE . 11307 1 850 . 1 1 72 72 MET HG2 H 1 2.507 0.030 . 2 . . . . 72 MET HG2 . 11307 1 851 . 1 1 72 72 MET HG3 H 1 2.600 0.030 . 2 . . . . 72 MET HG3 . 11307 1 852 . 1 1 72 72 MET C C 13 176.020 0.300 . 1 . . . . 72 MET C . 11307 1 853 . 1 1 72 72 MET CA C 13 57.016 0.300 . 1 . . . . 72 MET CA . 11307 1 854 . 1 1 72 72 MET CB C 13 37.003 0.300 . 1 . . . . 72 MET CB . 11307 1 855 . 1 1 72 72 MET CE C 13 17.290 0.300 . 1 . . . . 72 MET CE . 11307 1 856 . 1 1 72 72 MET CG C 13 31.803 0.300 . 1 . . . . 72 MET CG . 11307 1 857 . 1 1 72 72 MET N N 15 117.632 0.300 . 1 . . . . 72 MET N . 11307 1 858 . 1 1 73 73 VAL H H 1 7.318 0.030 . 1 . . . . 73 VAL H . 11307 1 859 . 1 1 73 73 VAL HA H 1 4.721 0.030 . 1 . . . . 73 VAL HA . 11307 1 860 . 1 1 73 73 VAL HB H 1 2.239 0.030 . 1 . . . . 73 VAL HB . 11307 1 861 . 1 1 73 73 VAL HG11 H 1 0.931 0.030 . 1 . . . . 73 VAL HG1 . 11307 1 862 . 1 1 73 73 VAL HG12 H 1 0.931 0.030 . 1 . . . . 73 VAL HG1 . 11307 1 863 . 1 1 73 73 VAL HG13 H 1 0.931 0.030 . 1 . . . . 73 VAL HG1 . 11307 1 864 . 1 1 73 73 VAL HG21 H 1 0.776 0.030 . 1 . . . . 73 VAL HG2 . 11307 1 865 . 1 1 73 73 VAL HG22 H 1 0.776 0.030 . 1 . . . . 73 VAL HG2 . 11307 1 866 . 1 1 73 73 VAL HG23 H 1 0.776 0.030 . 1 . . . . 73 VAL HG2 . 11307 1 867 . 1 1 73 73 VAL C C 13 175.704 0.300 . 1 . . . . 73 VAL C . 11307 1 868 . 1 1 73 73 VAL CA C 13 59.657 0.300 . 1 . . . . 73 VAL CA . 11307 1 869 . 1 1 73 73 VAL CB C 13 35.155 0.300 . 1 . . . . 73 VAL CB . 11307 1 870 . 1 1 73 73 VAL CG1 C 13 22.569 0.300 . 2 . . . . 73 VAL CG1 . 11307 1 871 . 1 1 73 73 VAL CG2 C 13 18.725 0.300 . 2 . . . . 73 VAL CG2 . 11307 1 872 . 1 1 73 73 VAL N N 15 109.507 0.300 . 1 . . . . 73 VAL N . 11307 1 873 . 1 1 74 74 ALA H H 1 8.536 0.030 . 1 . . . . 74 ALA H . 11307 1 874 . 1 1 74 74 ALA HA H 1 4.317 0.030 . 1 . . . . 74 ALA HA . 11307 1 875 . 1 1 74 74 ALA HB1 H 1 1.545 0.030 . 1 . . . . 74 ALA HB . 11307 1 876 . 1 1 74 74 ALA HB2 H 1 1.545 0.030 . 1 . . . . 74 ALA HB . 11307 1 877 . 1 1 74 74 ALA HB3 H 1 1.545 0.030 . 1 . . . . 74 ALA HB . 11307 1 878 . 1 1 74 74 ALA C C 13 179.061 0.300 . 1 . . . . 74 ALA C . 11307 1 879 . 1 1 74 74 ALA CA C 13 51.938 0.300 . 1 . . . . 74 ALA CA . 11307 1 880 . 1 1 74 74 ALA CB C 13 19.568 0.300 . 1 . . . . 74 ALA CB . 11307 1 881 . 1 1 74 74 ALA N N 15 124.259 0.300 . 1 . . . . 74 ALA N . 11307 1 882 . 1 1 75 75 ALA H H 1 8.999 0.030 . 1 . . . . 75 ALA H . 11307 1 883 . 1 1 75 75 ALA HA H 1 4.057 0.030 . 1 . . . . 75 ALA HA . 11307 1 884 . 1 1 75 75 ALA HB1 H 1 1.507 0.030 . 1 . . . . 75 ALA HB . 11307 1 885 . 1 1 75 75 ALA HB2 H 1 1.507 0.030 . 1 . . . . 75 ALA HB . 11307 1 886 . 1 1 75 75 ALA HB3 H 1 1.507 0.030 . 1 . . . . 75 ALA HB . 11307 1 887 . 1 1 75 75 ALA C C 13 180.394 0.300 . 1 . . . . 75 ALA C . 11307 1 888 . 1 1 75 75 ALA CA C 13 56.007 0.300 . 1 . . . . 75 ALA CA . 11307 1 889 . 1 1 75 75 ALA CB C 13 18.250 0.300 . 1 . . . . 75 ALA CB . 11307 1 890 . 1 1 75 75 ALA N N 15 125.997 0.300 . 1 . . . . 75 ALA N . 11307 1 891 . 1 1 76 76 GLU H H 1 9.453 0.030 . 1 . . . . 76 GLU H . 11307 1 892 . 1 1 76 76 GLU HA H 1 4.115 0.030 . 1 . . . . 76 GLU HA . 11307 1 893 . 1 1 76 76 GLU HB2 H 1 2.025 0.030 . 2 . . . . 76 GLU HB2 . 11307 1 894 . 1 1 76 76 GLU HB3 H 1 2.061 0.030 . 2 . . . . 76 GLU HB3 . 11307 1 895 . 1 1 76 76 GLU HG2 H 1 2.330 0.030 . 1 . . . . 76 GLU HG2 . 11307 1 896 . 1 1 76 76 GLU HG3 H 1 2.330 0.030 . 1 . . . . 76 GLU HG3 . 11307 1 897 . 1 1 76 76 GLU C C 13 179.098 0.300 . 1 . . . . 76 GLU C . 11307 1 898 . 1 1 76 76 GLU CA C 13 59.623 0.300 . 1 . . . . 76 GLU CA . 11307 1 899 . 1 1 76 76 GLU CB C 13 28.550 0.300 . 1 . . . . 76 GLU CB . 11307 1 900 . 1 1 76 76 GLU CG C 13 36.162 0.300 . 1 . . . . 76 GLU CG . 11307 1 901 . 1 1 76 76 GLU N N 15 116.027 0.300 . 1 . . . . 76 GLU N . 11307 1 902 . 1 1 77 77 ILE H H 1 7.228 0.030 . 1 . . . . 77 ILE H . 11307 1 903 . 1 1 77 77 ILE HA H 1 3.897 0.030 . 1 . . . . 77 ILE HA . 11307 1 904 . 1 1 77 77 ILE HB H 1 2.251 0.030 . 1 . . . . 77 ILE HB . 11307 1 905 . 1 1 77 77 ILE HD11 H 1 0.843 0.030 . 1 . . . . 77 ILE HD1 . 11307 1 906 . 1 1 77 77 ILE HD12 H 1 0.843 0.030 . 1 . . . . 77 ILE HD1 . 11307 1 907 . 1 1 77 77 ILE HD13 H 1 0.843 0.030 . 1 . . . . 77 ILE HD1 . 11307 1 908 . 1 1 77 77 ILE HG12 H 1 1.590 0.030 . 2 . . . . 77 ILE HG12 . 11307 1 909 . 1 1 77 77 ILE HG13 H 1 1.406 0.030 . 2 . . . . 77 ILE HG13 . 11307 1 910 . 1 1 77 77 ILE HG21 H 1 0.935 0.030 . 1 . . . . 77 ILE HG2 . 11307 1 911 . 1 1 77 77 ILE HG22 H 1 0.935 0.030 . 1 . . . . 77 ILE HG2 . 11307 1 912 . 1 1 77 77 ILE HG23 H 1 0.935 0.030 . 1 . . . . 77 ILE HG2 . 11307 1 913 . 1 1 77 77 ILE C C 13 177.862 0.300 . 1 . . . . 77 ILE C . 11307 1 914 . 1 1 77 77 ILE CA C 13 62.316 0.300 . 1 . . . . 77 ILE CA . 11307 1 915 . 1 1 77 77 ILE CB C 13 36.139 0.300 . 1 . . . . 77 ILE CB . 11307 1 916 . 1 1 77 77 ILE CD1 C 13 10.585 0.300 . 1 . . . . 77 ILE CD1 . 11307 1 917 . 1 1 77 77 ILE CG1 C 13 27.773 0.300 . 1 . . . . 77 ILE CG1 . 11307 1 918 . 1 1 77 77 ILE CG2 C 13 18.513 0.300 . 1 . . . . 77 ILE CG2 . 11307 1 919 . 1 1 77 77 ILE N N 15 121.078 0.300 . 1 . . . . 77 ILE N . 11307 1 920 . 1 1 78 78 MET H H 1 8.032 0.030 . 1 . . . . 78 MET H . 11307 1 921 . 1 1 78 78 MET HA H 1 4.470 0.030 . 1 . . . . 78 MET HA . 11307 1 922 . 1 1 78 78 MET HB2 H 1 1.911 0.030 . 2 . . . . 78 MET HB2 . 11307 1 923 . 1 1 78 78 MET HB3 H 1 2.393 0.030 . 2 . . . . 78 MET HB3 . 11307 1 924 . 1 1 78 78 MET HE1 H 1 2.097 0.030 . 1 . . . . 78 MET HE . 11307 1 925 . 1 1 78 78 MET HE2 H 1 2.097 0.030 . 1 . . . . 78 MET HE . 11307 1 926 . 1 1 78 78 MET HE3 H 1 2.097 0.030 . 1 . . . . 78 MET HE . 11307 1 927 . 1 1 78 78 MET HG2 H 1 2.502 0.030 . 2 . . . . 78 MET HG2 . 11307 1 928 . 1 1 78 78 MET HG3 H 1 2.871 0.030 . 2 . . . . 78 MET HG3 . 11307 1 929 . 1 1 78 78 MET C C 13 178.516 0.300 . 1 . . . . 78 MET C . 11307 1 930 . 1 1 78 78 MET CA C 13 57.033 0.300 . 1 . . . . 78 MET CA . 11307 1 931 . 1 1 78 78 MET CB C 13 31.163 0.300 . 1 . . . . 78 MET CB . 11307 1 932 . 1 1 78 78 MET CE C 13 18.612 0.300 . 1 . . . . 78 MET CE . 11307 1 933 . 1 1 78 78 MET CG C 13 32.625 0.300 . 1 . . . . 78 MET CG . 11307 1 934 . 1 1 78 78 MET N N 15 122.236 0.300 . 1 . . . . 78 MET N . 11307 1 935 . 1 1 79 79 GLN H H 1 8.228 0.030 . 1 . . . . 79 GLN H . 11307 1 936 . 1 1 79 79 GLN HA H 1 4.020 0.030 . 1 . . . . 79 GLN HA . 11307 1 937 . 1 1 79 79 GLN HB2 H 1 2.131 0.030 . 2 . . . . 79 GLN HB2 . 11307 1 938 . 1 1 79 79 GLN HB3 H 1 2.169 0.030 . 2 . . . . 79 GLN HB3 . 11307 1 939 . 1 1 79 79 GLN HE21 H 1 6.888 0.030 . 2 . . . . 79 GLN HE21 . 11307 1 940 . 1 1 79 79 GLN HE22 H 1 7.482 0.030 . 2 . . . . 79 GLN HE22 . 11307 1 941 . 1 1 79 79 GLN HG2 H 1 2.530 0.030 . 2 . . . . 79 GLN HG2 . 11307 1 942 . 1 1 79 79 GLN HG3 H 1 2.451 0.030 . 2 . . . . 79 GLN HG3 . 11307 1 943 . 1 1 79 79 GLN C C 13 178.795 0.300 . 1 . . . . 79 GLN C . 11307 1 944 . 1 1 79 79 GLN CA C 13 59.023 0.300 . 1 . . . . 79 GLN CA . 11307 1 945 . 1 1 79 79 GLN CB C 13 28.037 0.300 . 1 . . . . 79 GLN CB . 11307 1 946 . 1 1 79 79 GLN CG C 13 33.859 0.300 . 1 . . . . 79 GLN CG . 11307 1 947 . 1 1 79 79 GLN N N 15 116.695 0.300 . 1 . . . . 79 GLN N . 11307 1 948 . 1 1 79 79 GLN NE2 N 15 111.826 0.300 . 1 . . . . 79 GLN NE2 . 11307 1 949 . 1 1 80 80 ARG H H 1 7.350 0.030 . 1 . . . . 80 ARG H . 11307 1 950 . 1 1 80 80 ARG HA H 1 4.118 0.030 . 1 . . . . 80 ARG HA . 11307 1 951 . 1 1 80 80 ARG HB2 H 1 1.957 0.030 . 2 . . . . 80 ARG HB2 . 11307 1 952 . 1 1 80 80 ARG HB3 H 1 2.018 0.030 . 2 . . . . 80 ARG HB3 . 11307 1 953 . 1 1 80 80 ARG HD2 H 1 3.105 0.030 . 2 . . . . 80 ARG HD2 . 11307 1 954 . 1 1 80 80 ARG HD3 H 1 3.259 0.030 . 2 . . . . 80 ARG HD3 . 11307 1 955 . 1 1 80 80 ARG HG2 H 1 1.544 0.030 . 2 . . . . 80 ARG HG2 . 11307 1 956 . 1 1 80 80 ARG HG3 H 1 1.857 0.030 . 2 . . . . 80 ARG HG3 . 11307 1 957 . 1 1 80 80 ARG C C 13 177.753 0.300 . 1 . . . . 80 ARG C . 11307 1 958 . 1 1 80 80 ARG CA C 13 59.237 0.300 . 1 . . . . 80 ARG CA . 11307 1 959 . 1 1 80 80 ARG CB C 13 29.395 0.300 . 1 . . . . 80 ARG CB . 11307 1 960 . 1 1 80 80 ARG CD C 13 43.647 0.300 . 1 . . . . 80 ARG CD . 11307 1 961 . 1 1 80 80 ARG CG C 13 27.758 0.300 . 1 . . . . 80 ARG CG . 11307 1 962 . 1 1 80 80 ARG N N 15 120.148 0.300 . 1 . . . . 80 ARG N . 11307 1 963 . 1 1 81 81 TYR H H 1 8.256 0.030 . 1 . . . . 81 TYR H . 11307 1 964 . 1 1 81 81 TYR HA H 1 4.159 0.030 . 1 . . . . 81 TYR HA . 11307 1 965 . 1 1 81 81 TYR HB2 H 1 3.503 0.030 . 2 . . . . 81 TYR HB2 . 11307 1 966 . 1 1 81 81 TYR HB3 H 1 3.095 0.030 . 2 . . . . 81 TYR HB3 . 11307 1 967 . 1 1 81 81 TYR HD1 H 1 7.015 0.030 . 1 . . . . 81 TYR HD1 . 11307 1 968 . 1 1 81 81 TYR HD2 H 1 7.015 0.030 . 1 . . . . 81 TYR HD2 . 11307 1 969 . 1 1 81 81 TYR HE1 H 1 6.723 0.030 . 1 . . . . 81 TYR HE1 . 11307 1 970 . 1 1 81 81 TYR HE2 H 1 6.723 0.030 . 1 . . . . 81 TYR HE2 . 11307 1 971 . 1 1 81 81 TYR C C 13 177.304 0.300 . 1 . . . . 81 TYR C . 11307 1 972 . 1 1 81 81 TYR CA C 13 61.390 0.300 . 1 . . . . 81 TYR CA . 11307 1 973 . 1 1 81 81 TYR CB C 13 38.237 0.300 . 1 . . . . 81 TYR CB . 11307 1 974 . 1 1 81 81 TYR CD1 C 13 132.790 0.300 . 1 . . . . 81 TYR CD1 . 11307 1 975 . 1 1 81 81 TYR CD2 C 13 132.790 0.300 . 1 . . . . 81 TYR CD2 . 11307 1 976 . 1 1 81 81 TYR CE1 C 13 117.925 0.300 . 1 . . . . 81 TYR CE1 . 11307 1 977 . 1 1 81 81 TYR CE2 C 13 117.925 0.300 . 1 . . . . 81 TYR CE2 . 11307 1 978 . 1 1 81 81 TYR N N 15 120.945 0.300 . 1 . . . . 81 TYR N . 11307 1 979 . 1 1 82 82 LYS H H 1 8.501 0.030 . 1 . . . . 82 LYS H . 11307 1 980 . 1 1 82 82 LYS HA H 1 3.894 0.030 . 1 . . . . 82 LYS HA . 11307 1 981 . 1 1 82 82 LYS HB2 H 1 1.925 0.030 . 2 . . . . 82 LYS HB2 . 11307 1 982 . 1 1 82 82 LYS HB3 H 1 1.847 0.030 . 2 . . . . 82 LYS HB3 . 11307 1 983 . 1 1 82 82 LYS HD2 H 1 1.710 0.030 . 1 . . . . 82 LYS HD2 . 11307 1 984 . 1 1 82 82 LYS HD3 H 1 1.710 0.030 . 1 . . . . 82 LYS HD3 . 11307 1 985 . 1 1 82 82 LYS HE2 H 1 2.929 0.030 . 2 . . . . 82 LYS HE2 . 11307 1 986 . 1 1 82 82 LYS HE3 H 1 3.000 0.030 . 2 . . . . 82 LYS HE3 . 11307 1 987 . 1 1 82 82 LYS HG2 H 1 1.639 0.030 . 2 . . . . 82 LYS HG2 . 11307 1 988 . 1 1 82 82 LYS HG3 H 1 1.767 0.030 . 2 . . . . 82 LYS HG3 . 11307 1 989 . 1 1 82 82 LYS C C 13 179.146 0.300 . 1 . . . . 82 LYS C . 11307 1 990 . 1 1 82 82 LYS CA C 13 58.743 0.300 . 1 . . . . 82 LYS CA . 11307 1 991 . 1 1 82 82 LYS CB C 13 31.492 0.300 . 1 . . . . 82 LYS CB . 11307 1 992 . 1 1 82 82 LYS CD C 13 28.431 0.300 . 1 . . . . 82 LYS CD . 11307 1 993 . 1 1 82 82 LYS CE C 13 41.760 0.300 . 1 . . . . 82 LYS CE . 11307 1 994 . 1 1 82 82 LYS CG C 13 25.387 0.300 . 1 . . . . 82 LYS CG . 11307 1 995 . 1 1 82 82 LYS N N 15 117.491 0.300 . 1 . . . . 82 LYS N . 11307 1 996 . 1 1 83 83 LYS H H 1 7.849 0.030 . 1 . . . . 83 LYS H . 11307 1 997 . 1 1 83 83 LYS HA H 1 4.139 0.030 . 1 . . . . 83 LYS HA . 11307 1 998 . 1 1 83 83 LYS HB2 H 1 1.946 0.030 . 2 . . . . 83 LYS HB2 . 11307 1 999 . 1 1 83 83 LYS HB3 H 1 2.005 0.030 . 2 . . . . 83 LYS HB3 . 11307 1 1000 . 1 1 83 83 LYS HD2 H 1 1.703 0.030 . 1 . . . . 83 LYS HD2 . 11307 1 1001 . 1 1 83 83 LYS HD3 H 1 1.703 0.030 . 1 . . . . 83 LYS HD3 . 11307 1 1002 . 1 1 83 83 LYS HE2 H 1 3.004 0.030 . 1 . . . . 83 LYS HE2 . 11307 1 1003 . 1 1 83 83 LYS HE3 H 1 3.004 0.030 . 1 . . . . 83 LYS HE3 . 11307 1 1004 . 1 1 83 83 LYS HG2 H 1 1.447 0.030 . 2 . . . . 83 LYS HG2 . 11307 1 1005 . 1 1 83 83 LYS HG3 H 1 1.572 0.030 . 2 . . . . 83 LYS HG3 . 11307 1 1006 . 1 1 83 83 LYS C C 13 178.540 0.300 . 1 . . . . 83 LYS C . 11307 1 1007 . 1 1 83 83 LYS CA C 13 59.191 0.300 . 1 . . . . 83 LYS CA . 11307 1 1008 . 1 1 83 83 LYS CB C 13 32.438 0.300 . 1 . . . . 83 LYS CB . 11307 1 1009 . 1 1 83 83 LYS CD C 13 29.418 0.300 . 1 . . . . 83 LYS CD . 11307 1 1010 . 1 1 83 83 LYS CE C 13 42.249 0.300 . 1 . . . . 83 LYS CE . 11307 1 1011 . 1 1 83 83 LYS CG C 13 25.116 0.300 . 1 . . . . 83 LYS CG . 11307 1 1012 . 1 1 83 83 LYS N N 15 120.812 0.300 . 1 . . . . 83 LYS N . 11307 1 1013 . 1 1 84 84 LEU H H 1 8.041 0.030 . 1 . . . . 84 LEU H . 11307 1 1014 . 1 1 84 84 LEU HA H 1 4.093 0.030 . 1 . . . . 84 LEU HA . 11307 1 1015 . 1 1 84 84 LEU HB2 H 1 1.413 0.030 . 2 . . . . 84 LEU HB2 . 11307 1 1016 . 1 1 84 84 LEU HB3 H 1 1.806 0.030 . 2 . . . . 84 LEU HB3 . 11307 1 1017 . 1 1 84 84 LEU HD11 H 1 0.908 0.030 . 1 . . . . 84 LEU HD1 . 11307 1 1018 . 1 1 84 84 LEU HD12 H 1 0.908 0.030 . 1 . . . . 84 LEU HD1 . 11307 1 1019 . 1 1 84 84 LEU HD13 H 1 0.908 0.030 . 1 . . . . 84 LEU HD1 . 11307 1 1020 . 1 1 84 84 LEU HD21 H 1 0.846 0.030 . 1 . . . . 84 LEU HD2 . 11307 1 1021 . 1 1 84 84 LEU HD22 H 1 0.846 0.030 . 1 . . . . 84 LEU HD2 . 11307 1 1022 . 1 1 84 84 LEU HD23 H 1 0.846 0.030 . 1 . . . . 84 LEU HD2 . 11307 1 1023 . 1 1 84 84 LEU HG H 1 1.758 0.030 . 1 . . . . 84 LEU HG . 11307 1 1024 . 1 1 84 84 LEU C C 13 179.146 0.300 . 1 . . . . 84 LEU C . 11307 1 1025 . 1 1 84 84 LEU CA C 13 57.361 0.300 . 1 . . . . 84 LEU CA . 11307 1 1026 . 1 1 84 84 LEU CB C 13 41.815 0.300 . 1 . . . . 84 LEU CB . 11307 1 1027 . 1 1 84 84 LEU CD1 C 13 25.644 0.300 . 2 . . . . 84 LEU CD1 . 11307 1 1028 . 1 1 84 84 LEU CD2 C 13 23.269 0.300 . 2 . . . . 84 LEU CD2 . 11307 1 1029 . 1 1 84 84 LEU CG C 13 26.737 0.300 . 1 . . . . 84 LEU CG . 11307 1 1030 . 1 1 84 84 LEU N N 15 120.015 0.300 . 1 . . . . 84 LEU N . 11307 1 1031 . 1 1 85 85 GLN H H 1 7.850 0.030 . 1 . . . . 85 GLN H . 11307 1 1032 . 1 1 85 85 GLN HA H 1 3.894 0.030 . 1 . . . . 85 GLN HA . 11307 1 1033 . 1 1 85 85 GLN HB2 H 1 1.866 0.030 . 2 . . . . 85 GLN HB2 . 11307 1 1034 . 1 1 85 85 GLN HB3 H 1 1.925 0.030 . 2 . . . . 85 GLN HB3 . 11307 1 1035 . 1 1 85 85 GLN HE21 H 1 6.847 0.030 . 2 . . . . 85 GLN HE21 . 11307 1 1036 . 1 1 85 85 GLN HE22 H 1 6.706 0.030 . 2 . . . . 85 GLN HE22 . 11307 1 1037 . 1 1 85 85 GLN HG2 H 1 1.952 0.030 . 2 . . . . 85 GLN HG2 . 11307 1 1038 . 1 1 85 85 GLN HG3 H 1 2.055 0.030 . 2 . . . . 85 GLN HG3 . 11307 1 1039 . 1 1 85 85 GLN C C 13 178.140 0.300 . 1 . . . . 85 GLN C . 11307 1 1040 . 1 1 85 85 GLN CA C 13 57.970 0.300 . 1 . . . . 85 GLN CA . 11307 1 1041 . 1 1 85 85 GLN CB C 13 29.079 0.300 . 1 . . . . 85 GLN CB . 11307 1 1042 . 1 1 85 85 GLN CG C 13 33.695 0.300 . 1 . . . . 85 GLN CG . 11307 1 1043 . 1 1 85 85 GLN N N 15 116.562 0.300 . 1 . . . . 85 GLN N . 11307 1 1044 . 1 1 85 85 GLN NE2 N 15 111.981 0.300 . 1 . . . . 85 GLN NE2 . 11307 1 1045 . 1 1 86 86 PHE H H 1 7.969 0.030 . 1 . . . . 86 PHE H . 11307 1 1046 . 1 1 86 86 PHE HA H 1 4.412 0.030 . 1 . . . . 86 PHE HA . 11307 1 1047 . 1 1 86 86 PHE HB2 H 1 3.242 0.030 . 1 . . . . 86 PHE HB2 . 11307 1 1048 . 1 1 86 86 PHE HB3 H 1 3.242 0.030 . 1 . . . . 86 PHE HB3 . 11307 1 1049 . 1 1 86 86 PHE HD1 H 1 7.271 0.030 . 1 . . . . 86 PHE HD1 . 11307 1 1050 . 1 1 86 86 PHE HD2 H 1 7.271 0.030 . 1 . . . . 86 PHE HD2 . 11307 1 1051 . 1 1 86 86 PHE HE1 H 1 7.343 0.030 . 1 . . . . 86 PHE HE1 . 11307 1 1052 . 1 1 86 86 PHE HE2 H 1 7.343 0.030 . 1 . . . . 86 PHE HE2 . 11307 1 1053 . 1 1 86 86 PHE HZ H 1 7.301 0.030 . 1 . . . . 86 PHE HZ . 11307 1 1054 . 1 1 86 86 PHE C C 13 177.753 0.300 . 1 . . . . 86 PHE C . 11307 1 1055 . 1 1 86 86 PHE CA C 13 59.785 0.300 . 1 . . . . 86 PHE CA . 11307 1 1056 . 1 1 86 86 PHE CB C 13 39.264 0.300 . 1 . . . . 86 PHE CB . 11307 1 1057 . 1 1 86 86 PHE CD1 C 13 131.806 0.300 . 1 . . . . 86 PHE CD1 . 11307 1 1058 . 1 1 86 86 PHE CD2 C 13 131.806 0.300 . 1 . . . . 86 PHE CD2 . 11307 1 1059 . 1 1 86 86 PHE CE1 C 13 131.626 0.300 . 1 . . . . 86 PHE CE1 . 11307 1 1060 . 1 1 86 86 PHE CE2 C 13 131.626 0.300 . 1 . . . . 86 PHE CE2 . 11307 1 1061 . 1 1 86 86 PHE CZ C 13 129.890 0.300 . 1 . . . . 86 PHE CZ . 11307 1 1062 . 1 1 86 86 PHE N N 15 119.617 0.300 . 1 . . . . 86 PHE N . 11307 1 1063 . 1 1 87 87 GLU H H 1 8.288 0.030 . 1 . . . . 87 GLU H . 11307 1 1064 . 1 1 87 87 GLU HA H 1 4.072 0.030 . 1 . . . . 87 GLU HA . 11307 1 1065 . 1 1 87 87 GLU HB2 H 1 2.094 0.030 . 1 . . . . 87 GLU HB2 . 11307 1 1066 . 1 1 87 87 GLU HB3 H 1 2.094 0.030 . 1 . . . . 87 GLU HB3 . 11307 1 1067 . 1 1 87 87 GLU HG2 H 1 2.309 0.030 . 2 . . . . 87 GLU HG2 . 11307 1 1068 . 1 1 87 87 GLU HG3 H 1 2.501 0.030 . 2 . . . . 87 GLU HG3 . 11307 1 1069 . 1 1 87 87 GLU C C 13 177.510 0.300 . 1 . . . . 87 GLU C . 11307 1 1070 . 1 1 87 87 GLU CA C 13 57.933 0.300 . 1 . . . . 87 GLU CA . 11307 1 1071 . 1 1 87 87 GLU CB C 13 29.871 0.300 . 1 . . . . 87 GLU CB . 11307 1 1072 . 1 1 87 87 GLU CG C 13 36.656 0.300 . 1 . . . . 87 GLU CG . 11307 1 1073 . 1 1 87 87 GLU N N 15 119.882 0.300 . 1 . . . . 87 GLU N . 11307 1 1074 . 1 1 88 88 ARG H H 1 7.869 0.030 . 1 . . . . 88 ARG H . 11307 1 1075 . 1 1 88 88 ARG HA H 1 4.350 0.030 . 1 . . . . 88 ARG HA . 11307 1 1076 . 1 1 88 88 ARG HB2 H 1 1.815 0.030 . 2 . . . . 88 ARG HB2 . 11307 1 1077 . 1 1 88 88 ARG HB3 H 1 1.947 0.030 . 2 . . . . 88 ARG HB3 . 11307 1 1078 . 1 1 88 88 ARG HD2 H 1 3.178 0.030 . 1 . . . . 88 ARG HD2 . 11307 1 1079 . 1 1 88 88 ARG HD3 H 1 3.178 0.030 . 1 . . . . 88 ARG HD3 . 11307 1 1080 . 1 1 88 88 ARG HG2 H 1 1.695 0.030 . 1 . . . . 88 ARG HG2 . 11307 1 1081 . 1 1 88 88 ARG HG3 H 1 1.695 0.030 . 1 . . . . 88 ARG HG3 . 11307 1 1082 . 1 1 88 88 ARG C C 13 176.735 0.300 . 1 . . . . 88 ARG C . 11307 1 1083 . 1 1 88 88 ARG CA C 13 56.557 0.300 . 1 . . . . 88 ARG CA . 11307 1 1084 . 1 1 88 88 ARG CB C 13 30.423 0.300 . 1 . . . . 88 ARG CB . 11307 1 1085 . 1 1 88 88 ARG CD C 13 43.400 0.300 . 1 . . . . 88 ARG CD . 11307 1 1086 . 1 1 88 88 ARG CG C 13 27.197 0.300 . 1 . . . . 88 ARG CG . 11307 1 1087 . 1 1 88 88 ARG N N 15 118.820 0.300 . 1 . . . . 88 ARG N . 11307 1 1088 . 1 1 89 89 SER H H 1 8.001 0.030 . 1 . . . . 89 SER H . 11307 1 1089 . 1 1 89 89 SER HA H 1 4.481 0.030 . 1 . . . . 89 SER HA . 11307 1 1090 . 1 1 89 89 SER HB2 H 1 3.907 0.030 . 1 . . . . 89 SER HB2 . 11307 1 1091 . 1 1 89 89 SER HB3 H 1 3.907 0.030 . 1 . . . . 89 SER HB3 . 11307 1 1092 . 1 1 89 89 SER C C 13 174.626 0.300 . 1 . . . . 89 SER C . 11307 1 1093 . 1 1 89 89 SER CA C 13 58.790 0.300 . 1 . . . . 89 SER CA . 11307 1 1094 . 1 1 89 89 SER CB C 13 64.217 0.300 . 1 . . . . 89 SER CB . 11307 1 1095 . 1 1 89 89 SER N N 15 115.499 0.300 . 1 . . . . 89 SER N . 11307 1 1096 . 1 1 90 90 GLY H H 1 8.085 0.030 . 1 . . . . 90 GLY H . 11307 1 1097 . 1 1 90 90 GLY HA2 H 1 4.079 0.030 . 2 . . . . 90 GLY HA2 . 11307 1 1098 . 1 1 90 90 GLY HA3 H 1 4.040 0.030 . 2 . . . . 90 GLY HA3 . 11307 1 1099 . 1 1 90 90 GLY C C 13 171.766 0.300 . 1 . . . . 90 GLY C . 11307 1 1100 . 1 1 90 90 GLY CA C 13 44.732 0.300 . 1 . . . . 90 GLY CA . 11307 1 1101 . 1 1 90 90 GLY N N 15 110.585 0.300 . 1 . . . . 90 GLY N . 11307 1 1102 . 1 1 91 91 PRO HA H 1 4.484 0.030 . 1 . . . . 91 PRO HA . 11307 1 1103 . 1 1 91 91 PRO HB2 H 1 1.990 0.030 . 2 . . . . 91 PRO HB2 . 11307 1 1104 . 1 1 91 91 PRO HB3 H 1 2.300 0.030 . 2 . . . . 91 PRO HB3 . 11307 1 1105 . 1 1 91 91 PRO HD2 H 1 3.619 0.030 . 1 . . . . 91 PRO HD2 . 11307 1 1106 . 1 1 91 91 PRO HD3 H 1 3.619 0.030 . 1 . . . . 91 PRO HD3 . 11307 1 1107 . 1 1 91 91 PRO HG2 H 1 2.025 0.030 . 1 . . . . 91 PRO HG2 . 11307 1 1108 . 1 1 91 91 PRO HG3 H 1 2.025 0.030 . 1 . . . . 91 PRO HG3 . 11307 1 1109 . 1 1 91 91 PRO CA C 13 63.269 0.300 . 1 . . . . 91 PRO CA . 11307 1 1110 . 1 1 91 91 PRO CB C 13 32.228 0.300 . 1 . . . . 91 PRO CB . 11307 1 1111 . 1 1 91 91 PRO CD C 13 49.831 0.300 . 1 . . . . 91 PRO CD . 11307 1 1112 . 1 1 91 91 PRO CG C 13 27.229 0.300 . 1 . . . . 91 PRO CG . 11307 1 stop_ save_