data_11131 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11131 _Entry.Title ; Solution structure of the FYVE domain from human FYVE domain containing 27 isoform b protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _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 T. Tomizawa . . . 11131 2 T. Kigawa . . . 11131 3 S. Koshiba . . . 11131 4 M. Inoue . . . 11131 5 S. Yokoyama . . . 11131 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)' . 11131 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11131 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 11131 '15N chemical shifts' 76 11131 '1H chemical shifts' 467 11131 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 . . 2011-04-01 2010-03-31 original author . 11131 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X4U 'BMRB Entry Tracking System' 11131 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11131 _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 FYVE domain from human FYVE domain containing 27 isoform b protein ; _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 T. Tomizawa . . . 11131 1 2 T. Kigawa . . . 11131 1 3 S. Koshiba . . . 11131 1 4 M. Inoue . . . 11131 1 5 S. Yokoyama . . . 11131 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11131 _Assembly.ID 1 _Assembly.Name 'Zinc finger, FYVE domain containing 27 isoform b' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _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 'FYVE domain' 1 $entity_1 A . yes native no no . . . 11131 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11131 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11131 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 'FYVE domain' 1 CYS 17 17 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 17 CYS SG . . . . ZN 11131 1 2 coordination single . 1 'FYVE domain' 1 CYS 20 20 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 20 CYS SG . . . . ZN 11131 1 3 coordination single . 1 'FYVE domain' 1 CYS 41 41 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11131 1 4 coordination single . 1 'FYVE domain' 1 CYS 44 44 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 44 CYS SG . . . . ZN 11131 1 5 coordination single . 1 'FYVE domain' 1 CYS 33 33 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11131 1 6 coordination single . 1 'FYVE domain' 1 CYS 36 36 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 36 CYS SG . . . . ZN 11131 1 7 coordination single . 1 'FYVE domain' 1 CYS 69 69 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 69 CYS SG . . . . ZN 11131 1 8 coordination single . 1 'FYVE domain' 1 CYS 72 72 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 72 CYS SG . . . . ZN 11131 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 69 69 HG . 69 CYS HG 11131 1 . . 1 1 CYS 72 72 HG . 72 CYS HG 11131 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11131 1 . . 1 1 CYS 36 36 HG . 36 CYS HG 11131 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11131 1 . . 1 1 CYS 44 44 HG . 44 CYS HG 11131 1 . . 1 1 CYS 17 17 HG . 17 CYS HG 11131 1 . . 1 1 CYS 20 20 HG . 20 CYS HG 11131 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 1x4u . . . . . . 11131 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11131 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FYVE 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 ; GSSGSSGRYPTNNFGNCTGC SATFSVLKKRRSCSNCGNSF CSRCCSFKVPKSSMGATAPE AQRETVFVCASCNQTLSKSG PSSG ; _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 84 _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 1X4U . "Solution Structure Of The Fyve Domain From Human Fyve Domain Containing 27 Isoform B Protein" . . . . . 100.00 84 100.00 100.00 4.00e-49 . . . . 11131 1 2 no DBJ BAC05200 . "unnamed protein product [Homo sapiens]" . . . . . 84.52 318 100.00 100.00 8.45e-41 . . . . 11131 1 3 no DBJ BAC11260 . "unnamed protein product [Homo sapiens]" . . . . . 84.52 404 100.00 100.00 2.35e-40 . . . . 11131 1 4 no DBJ BAH12306 . "unnamed protein product [Homo sapiens]" . . . . . 84.52 311 100.00 100.00 6.55e-41 . . . . 11131 1 5 no DBJ BAH12390 . "unnamed protein product [Homo sapiens]" . . . . . 84.52 372 100.00 100.00 1.24e-40 . . . . 11131 1 6 no DBJ BAH13112 . "unnamed protein product [Homo sapiens]" . . . . . 84.52 286 98.59 98.59 7.85e-40 . . . . 11131 1 7 no EMBL CAD38913 . "hypothetical protein [Homo sapiens]" . . . . . 84.52 348 100.00 100.00 1.16e-40 . . . . 11131 1 8 no EMBL CAH92258 . "hypothetical protein [Pongo abelii]" . . . . . 84.52 411 100.00 100.00 2.33e-40 . . . . 11131 1 9 no GB AAH30621 . "Zinc finger, FYVE domain containing 27 [Homo sapiens]" . . . . . 84.52 411 100.00 100.00 2.12e-40 . . . . 11131 1 10 no GB AAH61741 . "Zinc finger, FYVE domain containing 27 [Rattus norvegicus]" . . . . . 84.52 336 97.18 98.59 1.57e-39 . . . . 11131 1 11 no GB AIC61199 . "ZFYVE27, partial [synthetic construct]" . . . . . 84.52 343 100.00 100.00 1.11e-40 . . . . 11131 1 12 no GB AKI69883 . "ZFYVE27, partial [synthetic construct]" . . . . . 84.52 343 100.00 100.00 1.05e-40 . . . . 11131 1 13 no GB EAW49895 . "zinc finger, FYVE domain containing 27, isoform CRA_a [Homo sapiens]" . . . . . 84.52 404 100.00 100.00 2.61e-40 . . . . 11131 1 14 no REF NP_001002261 . "protrudin isoform a [Homo sapiens]" . . . . . 84.52 416 100.00 100.00 2.26e-40 . . . . 11131 1 15 no REF NP_001002262 . "protrudin isoform c [Homo sapiens]" . . . . . 84.52 404 100.00 100.00 2.61e-40 . . . . 11131 1 16 no REF NP_001126322 . "protrudin [Pongo abelii]" . . . . . 84.52 411 100.00 100.00 2.33e-40 . . . . 11131 1 17 no REF NP_001167590 . "protrudin isoform d [Homo sapiens]" . . . . . 84.52 372 100.00 100.00 1.34e-40 . . . . 11131 1 18 no REF NP_001167591 . "protrudin isoform e [Homo sapiens]" . . . . . 84.52 318 100.00 100.00 8.45e-41 . . . . 11131 1 19 no SP Q5R7K2 . "RecName: Full=Protrudin; AltName: Full=Zinc finger FYVE domain-containing protein 27" . . . . . 84.52 411 100.00 100.00 2.33e-40 . . . . 11131 1 20 no SP Q5T4F4 . "RecName: Full=Protrudin; AltName: Full=Zinc finger FYVE domain-containing protein 27" . . . . . 84.52 411 100.00 100.00 2.17e-40 . . . . 11131 1 21 no SP Q6P7B7 . "RecName: Full=Protrudin; AltName: Full=Zinc finger FYVE domain-containing protein 27" . . . . . 84.52 404 97.18 98.59 3.15e-39 . . . . 11131 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FYVE domain' . 11131 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 . 11131 1 2 . SER . 11131 1 3 . SER . 11131 1 4 . GLY . 11131 1 5 . SER . 11131 1 6 . SER . 11131 1 7 . GLY . 11131 1 8 . ARG . 11131 1 9 . TYR . 11131 1 10 . PRO . 11131 1 11 . THR . 11131 1 12 . ASN . 11131 1 13 . ASN . 11131 1 14 . PHE . 11131 1 15 . GLY . 11131 1 16 . ASN . 11131 1 17 . CYS . 11131 1 18 . THR . 11131 1 19 . GLY . 11131 1 20 . CYS . 11131 1 21 . SER . 11131 1 22 . ALA . 11131 1 23 . THR . 11131 1 24 . PHE . 11131 1 25 . SER . 11131 1 26 . VAL . 11131 1 27 . LEU . 11131 1 28 . LYS . 11131 1 29 . LYS . 11131 1 30 . ARG . 11131 1 31 . ARG . 11131 1 32 . SER . 11131 1 33 . CYS . 11131 1 34 . SER . 11131 1 35 . ASN . 11131 1 36 . CYS . 11131 1 37 . GLY . 11131 1 38 . ASN . 11131 1 39 . SER . 11131 1 40 . PHE . 11131 1 41 . CYS . 11131 1 42 . SER . 11131 1 43 . ARG . 11131 1 44 . CYS . 11131 1 45 . CYS . 11131 1 46 . SER . 11131 1 47 . PHE . 11131 1 48 . LYS . 11131 1 49 . VAL . 11131 1 50 . PRO . 11131 1 51 . LYS . 11131 1 52 . SER . 11131 1 53 . SER . 11131 1 54 . MET . 11131 1 55 . GLY . 11131 1 56 . ALA . 11131 1 57 . THR . 11131 1 58 . ALA . 11131 1 59 . PRO . 11131 1 60 . GLU . 11131 1 61 . ALA . 11131 1 62 . GLN . 11131 1 63 . ARG . 11131 1 64 . GLU . 11131 1 65 . THR . 11131 1 66 . VAL . 11131 1 67 . PHE . 11131 1 68 . VAL . 11131 1 69 . CYS . 11131 1 70 . ALA . 11131 1 71 . SER . 11131 1 72 . CYS . 11131 1 73 . ASN . 11131 1 74 . GLN . 11131 1 75 . THR . 11131 1 76 . LEU . 11131 1 77 . SER . 11131 1 78 . LYS . 11131 1 79 . SER . 11131 1 80 . GLY . 11131 1 81 . PRO . 11131 1 82 . SER . 11131 1 83 . SER . 11131 1 84 . GLY . 11131 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 11131 1 . SER 2 2 11131 1 . SER 3 3 11131 1 . GLY 4 4 11131 1 . SER 5 5 11131 1 . SER 6 6 11131 1 . GLY 7 7 11131 1 . ARG 8 8 11131 1 . TYR 9 9 11131 1 . PRO 10 10 11131 1 . THR 11 11 11131 1 . ASN 12 12 11131 1 . ASN 13 13 11131 1 . PHE 14 14 11131 1 . GLY 15 15 11131 1 . ASN 16 16 11131 1 . CYS 17 17 11131 1 . THR 18 18 11131 1 . GLY 19 19 11131 1 . CYS 20 20 11131 1 . SER 21 21 11131 1 . ALA 22 22 11131 1 . THR 23 23 11131 1 . PHE 24 24 11131 1 . SER 25 25 11131 1 . VAL 26 26 11131 1 . LEU 27 27 11131 1 . LYS 28 28 11131 1 . LYS 29 29 11131 1 . ARG 30 30 11131 1 . ARG 31 31 11131 1 . SER 32 32 11131 1 . CYS 33 33 11131 1 . SER 34 34 11131 1 . ASN 35 35 11131 1 . CYS 36 36 11131 1 . GLY 37 37 11131 1 . ASN 38 38 11131 1 . SER 39 39 11131 1 . PHE 40 40 11131 1 . CYS 41 41 11131 1 . SER 42 42 11131 1 . ARG 43 43 11131 1 . CYS 44 44 11131 1 . CYS 45 45 11131 1 . SER 46 46 11131 1 . PHE 47 47 11131 1 . LYS 48 48 11131 1 . VAL 49 49 11131 1 . PRO 50 50 11131 1 . LYS 51 51 11131 1 . SER 52 52 11131 1 . SER 53 53 11131 1 . MET 54 54 11131 1 . GLY 55 55 11131 1 . ALA 56 56 11131 1 . THR 57 57 11131 1 . ALA 58 58 11131 1 . PRO 59 59 11131 1 . GLU 60 60 11131 1 . ALA 61 61 11131 1 . GLN 62 62 11131 1 . ARG 63 63 11131 1 . GLU 64 64 11131 1 . THR 65 65 11131 1 . VAL 66 66 11131 1 . PHE 67 67 11131 1 . VAL 68 68 11131 1 . CYS 69 69 11131 1 . ALA 70 70 11131 1 . SER 71 71 11131 1 . CYS 72 72 11131 1 . ASN 73 73 11131 1 . GLN 74 74 11131 1 . THR 75 75 11131 1 . LEU 76 76 11131 1 . SER 77 77 11131 1 . LYS 78 78 11131 1 . SER 79 79 11131 1 . GLY 80 80 11131 1 . PRO 81 81 11131 1 . SER 82 82 11131 1 . SER 83 83 11131 1 . GLY 84 84 11131 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11131 _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 . 11131 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 11131 _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 . . . . . . . . . . . . . . . . . . . . . 11131 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 11131 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P041206-02 . . . . . . 11131 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 11131 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _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 11131 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11131 ZN [Zn++] SMILES CACTVS 3.341 11131 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11131 ZN [Zn+2] SMILES ACDLabs 10.04 11131 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11131 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11131 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 11131 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11131 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 11131 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11131 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.83mM zf-AN1 domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 50uM {EDTA-2ZN;} 0.02% {NaN3;} 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 'zf-AN1 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.83 . . mM . . . . 11131 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11131 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11131 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11131 1 5 ZnCl2 'natural abundance' . . . . . salt 0.25 . . mM . . . . 11131 1 6 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11131 1 7 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11131 1 8 H2O . . . . . . solvent 90 . . % . . . . 11131 1 9 D2O . . . . . . solvent 10 . . % . . . . 11131 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 11131 _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 11131 1 pH 7.0 0.05 pH 11131 1 pressure 1 0.001 atm 11131 1 temperature 298 0.1 K 11131 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11131 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11131 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11131 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11131 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11131 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11131 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11131 _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.' . . 11131 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11131 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11131 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11131 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11131 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11131 _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.' . . 11131 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11131 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 11131 _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 11131 _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 . . . 11131 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 11131 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11131 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11131 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 11131 _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 . . . . . . . . . 11131 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11131 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11131 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 11131 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11131 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11131 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 . . 11131 1 2 $NMRPipe . . 11131 1 3 $NMRview . . 11131 1 4 $Kujira . . 11131 1 5 $CYANA . . 11131 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 7 7 GLY HA2 H 1 3.813 0.030 . 1 . . . . 7 GLY HA2 . 11131 1 2 . 1 1 7 7 GLY HA3 H 1 3.813 0.030 . 1 . . . . 7 GLY HA3 . 11131 1 3 . 1 1 7 7 GLY C C 13 171.416 0.300 . 1 . . . . 7 GLY C . 11131 1 4 . 1 1 7 7 GLY CA C 13 42.947 0.300 . 1 . . . . 7 GLY CA . 11131 1 5 . 1 1 8 8 ARG H H 1 7.896 0.030 . 1 . . . . 8 ARG H . 11131 1 6 . 1 1 8 8 ARG HA H 1 4.108 0.030 . 1 . . . . 8 ARG HA . 11131 1 7 . 1 1 8 8 ARG HB2 H 1 1.505 0.030 . 1 . . . . 8 ARG HB2 . 11131 1 8 . 1 1 8 8 ARG HB3 H 1 1.505 0.030 . 1 . . . . 8 ARG HB3 . 11131 1 9 . 1 1 8 8 ARG HD2 H 1 2.999 0.030 . 1 . . . . 8 ARG HD2 . 11131 1 10 . 1 1 8 8 ARG HD3 H 1 2.999 0.030 . 1 . . . . 8 ARG HD3 . 11131 1 11 . 1 1 8 8 ARG HG2 H 1 1.335 0.030 . 2 . . . . 8 ARG HG2 . 11131 1 12 . 1 1 8 8 ARG HG3 H 1 1.278 0.030 . 2 . . . . 8 ARG HG3 . 11131 1 13 . 1 1 8 8 ARG C C 13 173.285 0.300 . 1 . . . . 8 ARG C . 11131 1 14 . 1 1 8 8 ARG CA C 13 53.710 0.300 . 1 . . . . 8 ARG CA . 11131 1 15 . 1 1 8 8 ARG CB C 13 28.535 0.300 . 1 . . . . 8 ARG CB . 11131 1 16 . 1 1 8 8 ARG CD C 13 40.908 0.300 . 1 . . . . 8 ARG CD . 11131 1 17 . 1 1 8 8 ARG CG C 13 24.606 0.300 . 1 . . . . 8 ARG CG . 11131 1 18 . 1 1 8 8 ARG N N 15 119.788 0.300 . 1 . . . . 8 ARG N . 11131 1 19 . 1 1 9 9 TYR H H 1 8.076 0.030 . 1 . . . . 9 TYR H . 11131 1 20 . 1 1 9 9 TYR HA H 1 4.757 0.030 . 1 . . . . 9 TYR HA . 11131 1 21 . 1 1 9 9 TYR HB2 H 1 2.710 0.030 . 2 . . . . 9 TYR HB2 . 11131 1 22 . 1 1 9 9 TYR HB3 H 1 2.976 0.030 . 2 . . . . 9 TYR HB3 . 11131 1 23 . 1 1 9 9 TYR HD1 H 1 7.044 0.030 . 1 . . . . 9 TYR HD1 . 11131 1 24 . 1 1 9 9 TYR HD2 H 1 7.044 0.030 . 1 . . . . 9 TYR HD2 . 11131 1 25 . 1 1 9 9 TYR HE1 H 1 6.711 0.030 . 1 . . . . 9 TYR HE1 . 11131 1 26 . 1 1 9 9 TYR HE2 H 1 6.711 0.030 . 1 . . . . 9 TYR HE2 . 11131 1 27 . 1 1 9 9 TYR C C 13 171.598 0.300 . 1 . . . . 9 TYR C . 11131 1 28 . 1 1 9 9 TYR CA C 13 53.264 0.300 . 1 . . . . 9 TYR CA . 11131 1 29 . 1 1 9 9 TYR CB C 13 35.907 0.300 . 1 . . . . 9 TYR CB . 11131 1 30 . 1 1 9 9 TYR CD1 C 13 131.152 0.300 . 1 . . . . 9 TYR CD1 . 11131 1 31 . 1 1 9 9 TYR CD2 C 13 131.152 0.300 . 1 . . . . 9 TYR CD2 . 11131 1 32 . 1 1 9 9 TYR CE1 C 13 115.732 0.300 . 1 . . . . 9 TYR CE1 . 11131 1 33 . 1 1 9 9 TYR CE2 C 13 115.732 0.300 . 1 . . . . 9 TYR CE2 . 11131 1 34 . 1 1 9 9 TYR N N 15 121.159 0.300 . 1 . . . . 9 TYR N . 11131 1 35 . 1 1 10 10 PRO HA H 1 4.374 0.030 . 1 . . . . 10 PRO HA . 11131 1 36 . 1 1 10 10 PRO HB2 H 1 1.832 0.030 . 2 . . . . 10 PRO HB2 . 11131 1 37 . 1 1 10 10 PRO HB3 H 1 2.178 0.030 . 2 . . . . 10 PRO HB3 . 11131 1 38 . 1 1 10 10 PRO HD2 H 1 3.653 0.030 . 2 . . . . 10 PRO HD2 . 11131 1 39 . 1 1 10 10 PRO HD3 H 1 3.463 0.030 . 2 . . . . 10 PRO HD3 . 11131 1 40 . 1 1 10 10 PRO HG2 H 1 1.892 0.030 . 1 . . . . 10 PRO HG2 . 11131 1 41 . 1 1 10 10 PRO HG3 H 1 1.892 0.030 . 1 . . . . 10 PRO HG3 . 11131 1 42 . 1 1 10 10 PRO C C 13 174.672 0.300 . 1 . . . . 10 PRO C . 11131 1 43 . 1 1 10 10 PRO CA C 13 60.911 0.300 . 1 . . . . 10 PRO CA . 11131 1 44 . 1 1 10 10 PRO CB C 13 29.823 0.300 . 1 . . . . 10 PRO CB . 11131 1 45 . 1 1 10 10 PRO CD C 13 48.289 0.300 . 1 . . . . 10 PRO CD . 11131 1 46 . 1 1 10 10 PRO CG C 13 25.051 0.300 . 1 . . . . 10 PRO CG . 11131 1 47 . 1 1 11 11 THR H H 1 8.114 0.030 . 1 . . . . 11 THR H . 11131 1 48 . 1 1 11 11 THR HA H 1 4.283 0.030 . 1 . . . . 11 THR HA . 11131 1 49 . 1 1 11 11 THR HB H 1 4.150 0.030 . 1 . . . . 11 THR HB . 11131 1 50 . 1 1 11 11 THR HG21 H 1 1.070 0.030 . 1 . . . . 11 THR HG2 . 11131 1 51 . 1 1 11 11 THR HG22 H 1 1.070 0.030 . 1 . . . . 11 THR HG2 . 11131 1 52 . 1 1 11 11 THR HG23 H 1 1.070 0.030 . 1 . . . . 11 THR HG2 . 11131 1 53 . 1 1 11 11 THR C C 13 171.914 0.300 . 1 . . . . 11 THR C . 11131 1 54 . 1 1 11 11 THR CA C 13 59.398 0.300 . 1 . . . . 11 THR CA . 11131 1 55 . 1 1 11 11 THR CB C 13 67.718 0.300 . 1 . . . . 11 THR CB . 11131 1 56 . 1 1 11 11 THR CG2 C 13 19.229 0.300 . 1 . . . . 11 THR CG2 . 11131 1 57 . 1 1 11 11 THR N N 15 113.541 0.300 . 1 . . . . 11 THR N . 11131 1 58 . 1 1 12 12 ASN HA H 1 4.411 0.030 . 1 . . . . 12 ASN HA . 11131 1 59 . 1 1 12 12 ASN HB2 H 1 2.804 0.030 . 1 . . . . 12 ASN HB2 . 11131 1 60 . 1 1 12 12 ASN HB3 H 1 2.804 0.030 . 1 . . . . 12 ASN HB3 . 11131 1 61 . 1 1 12 12 ASN HD21 H 1 7.459 0.030 . 2 . . . . 12 ASN HD21 . 11131 1 62 . 1 1 12 12 ASN HD22 H 1 6.804 0.030 . 2 . . . . 12 ASN HD22 . 11131 1 63 . 1 1 12 12 ASN CA C 13 53.515 0.300 . 1 . . . . 12 ASN CA . 11131 1 64 . 1 1 12 12 ASN CB C 13 37.871 0.300 . 1 . . . . 12 ASN CB . 11131 1 65 . 1 1 12 12 ASN ND2 N 15 112.615 0.300 . 1 . . . . 12 ASN ND2 . 11131 1 66 . 1 1 13 13 ASN HA H 1 4.528 0.030 . 1 . . . . 13 ASN HA . 11131 1 67 . 1 1 13 13 ASN HB2 H 1 2.466 0.030 . 2 . . . . 13 ASN HB2 . 11131 1 68 . 1 1 13 13 ASN HB3 H 1 2.583 0.030 . 2 . . . . 13 ASN HB3 . 11131 1 69 . 1 1 13 13 ASN HD21 H 1 6.717 0.030 . 2 . . . . 13 ASN HD21 . 11131 1 70 . 1 1 13 13 ASN HD22 H 1 7.356 0.030 . 2 . . . . 13 ASN HD22 . 11131 1 71 . 1 1 13 13 ASN C C 13 172.510 0.300 . 1 . . . . 13 ASN C . 11131 1 72 . 1 1 13 13 ASN CA C 13 50.695 0.300 . 1 . . . . 13 ASN CA . 11131 1 73 . 1 1 13 13 ASN CB C 13 36.441 0.300 . 1 . . . . 13 ASN CB . 11131 1 74 . 1 1 13 13 ASN ND2 N 15 112.356 0.300 . 1 . . . . 13 ASN ND2 . 11131 1 75 . 1 1 14 14 PHE H H 1 8.170 0.030 . 1 . . . . 14 PHE H . 11131 1 76 . 1 1 14 14 PHE HA H 1 4.558 0.030 . 1 . . . . 14 PHE HA . 11131 1 77 . 1 1 14 14 PHE HB2 H 1 3.116 0.030 . 2 . . . . 14 PHE HB2 . 11131 1 78 . 1 1 14 14 PHE HB3 H 1 2.863 0.030 . 2 . . . . 14 PHE HB3 . 11131 1 79 . 1 1 14 14 PHE HD1 H 1 7.101 0.030 . 1 . . . . 14 PHE HD1 . 11131 1 80 . 1 1 14 14 PHE HD2 H 1 7.101 0.030 . 1 . . . . 14 PHE HD2 . 11131 1 81 . 1 1 14 14 PHE HE1 H 1 7.228 0.030 . 1 . . . . 14 PHE HE1 . 11131 1 82 . 1 1 14 14 PHE HE2 H 1 7.228 0.030 . 1 . . . . 14 PHE HE2 . 11131 1 83 . 1 1 14 14 PHE HZ H 1 7.168 0.030 . 1 . . . . 14 PHE HZ . 11131 1 84 . 1 1 14 14 PHE C C 13 173.833 0.300 . 1 . . . . 14 PHE C . 11131 1 85 . 1 1 14 14 PHE CA C 13 55.626 0.300 . 1 . . . . 14 PHE CA . 11131 1 86 . 1 1 14 14 PHE CB C 13 37.344 0.300 . 1 . . . . 14 PHE CB . 11131 1 87 . 1 1 14 14 PHE CD1 C 13 129.238 0.300 . 1 . . . . 14 PHE CD1 . 11131 1 88 . 1 1 14 14 PHE CD2 C 13 129.238 0.300 . 1 . . . . 14 PHE CD2 . 11131 1 89 . 1 1 14 14 PHE CE1 C 13 129.105 0.300 . 1 . . . . 14 PHE CE1 . 11131 1 90 . 1 1 14 14 PHE CE2 C 13 129.105 0.300 . 1 . . . . 14 PHE CE2 . 11131 1 91 . 1 1 14 14 PHE CZ C 13 127.473 0.300 . 1 . . . . 14 PHE CZ . 11131 1 92 . 1 1 14 14 PHE N N 15 119.470 0.300 . 1 . . . . 14 PHE N . 11131 1 93 . 1 1 15 15 GLY H H 1 8.249 0.030 . 1 . . . . 15 GLY H . 11131 1 94 . 1 1 15 15 GLY HA2 H 1 3.831 0.030 . 2 . . . . 15 GLY HA2 . 11131 1 95 . 1 1 15 15 GLY HA3 H 1 4.046 0.030 . 2 . . . . 15 GLY HA3 . 11131 1 96 . 1 1 15 15 GLY C C 13 170.233 0.300 . 1 . . . . 15 GLY C . 11131 1 97 . 1 1 15 15 GLY CA C 13 42.866 0.300 . 1 . . . . 15 GLY CA . 11131 1 98 . 1 1 15 15 GLY N N 15 108.171 0.300 . 1 . . . . 15 GLY N . 11131 1 99 . 1 1 16 16 ASN H H 1 7.812 0.030 . 1 . . . . 16 ASN H . 11131 1 100 . 1 1 16 16 ASN HA H 1 4.606 0.030 . 1 . . . . 16 ASN HA . 11131 1 101 . 1 1 16 16 ASN HB2 H 1 2.072 0.030 . 1 . . . . 16 ASN HB2 . 11131 1 102 . 1 1 16 16 ASN HB3 H 1 2.072 0.030 . 1 . . . . 16 ASN HB3 . 11131 1 103 . 1 1 16 16 ASN HD21 H 1 7.003 0.030 . 2 . . . . 16 ASN HD21 . 11131 1 104 . 1 1 16 16 ASN HD22 H 1 6.595 0.030 . 2 . . . . 16 ASN HD22 . 11131 1 105 . 1 1 16 16 ASN C C 13 171.087 0.300 . 1 . . . . 16 ASN C . 11131 1 106 . 1 1 16 16 ASN CA C 13 48.963 0.300 . 1 . . . . 16 ASN CA . 11131 1 107 . 1 1 16 16 ASN CB C 13 39.080 0.300 . 1 . . . . 16 ASN CB . 11131 1 108 . 1 1 16 16 ASN N N 15 115.749 0.300 . 1 . . . . 16 ASN N . 11131 1 109 . 1 1 16 16 ASN ND2 N 15 111.994 0.300 . 1 . . . . 16 ASN ND2 . 11131 1 110 . 1 1 17 17 CYS H H 1 8.354 0.030 . 1 . . . . 17 CYS H . 11131 1 111 . 1 1 17 17 CYS HA H 1 3.837 0.030 . 1 . . . . 17 CYS HA . 11131 1 112 . 1 1 17 17 CYS HB2 H 1 3.087 0.030 . 2 . . . . 17 CYS HB2 . 11131 1 113 . 1 1 17 17 CYS HB3 H 1 2.491 0.030 . 2 . . . . 17 CYS HB3 . 11131 1 114 . 1 1 17 17 CYS C C 13 175.041 0.300 . 1 . . . . 17 CYS C . 11131 1 115 . 1 1 17 17 CYS CA C 13 57.852 0.300 . 1 . . . . 17 CYS CA . 11131 1 116 . 1 1 17 17 CYS CB C 13 28.087 0.300 . 1 . . . . 17 CYS CB . 11131 1 117 . 1 1 17 17 CYS N N 15 121.970 0.300 . 1 . . . . 17 CYS N . 11131 1 118 . 1 1 18 18 THR H H 1 8.306 0.030 . 1 . . . . 18 THR H . 11131 1 119 . 1 1 18 18 THR HA H 1 3.742 0.030 . 1 . . . . 18 THR HA . 11131 1 120 . 1 1 18 18 THR HB H 1 3.072 0.030 . 1 . . . . 18 THR HB . 11131 1 121 . 1 1 18 18 THR HG21 H 1 1.077 0.030 . 1 . . . . 18 THR HG2 . 11131 1 122 . 1 1 18 18 THR HG22 H 1 1.077 0.030 . 1 . . . . 18 THR HG2 . 11131 1 123 . 1 1 18 18 THR HG23 H 1 1.077 0.030 . 1 . . . . 18 THR HG2 . 11131 1 124 . 1 1 18 18 THR C C 13 171.942 0.300 . 1 . . . . 18 THR C . 11131 1 125 . 1 1 18 18 THR CA C 13 63.924 0.300 . 1 . . . . 18 THR CA . 11131 1 126 . 1 1 18 18 THR CB C 13 66.742 0.300 . 1 . . . . 18 THR CB . 11131 1 127 . 1 1 18 18 THR CG2 C 13 19.059 0.300 . 1 . . . . 18 THR CG2 . 11131 1 128 . 1 1 18 18 THR N N 15 126.828 0.300 . 1 . . . . 18 THR N . 11131 1 129 . 1 1 19 19 GLY H H 1 9.488 0.030 . 1 . . . . 19 GLY H . 11131 1 130 . 1 1 19 19 GLY HA2 H 1 4.306 0.030 . 1 . . . . 19 GLY HA2 . 11131 1 131 . 1 1 19 19 GLY HA3 H 1 4.306 0.030 . 1 . . . . 19 GLY HA3 . 11131 1 132 . 1 1 19 19 GLY C C 13 172.486 0.300 . 1 . . . . 19 GLY C . 11131 1 133 . 1 1 19 19 GLY CA C 13 44.182 0.300 . 1 . . . . 19 GLY CA . 11131 1 134 . 1 1 19 19 GLY N N 15 113.732 0.300 . 1 . . . . 19 GLY N . 11131 1 135 . 1 1 20 20 CYS H H 1 8.317 0.030 . 1 . . . . 20 CYS H . 11131 1 136 . 1 1 20 20 CYS HA H 1 4.917 0.030 . 1 . . . . 20 CYS HA . 11131 1 137 . 1 1 20 20 CYS HB2 H 1 3.128 0.030 . 2 . . . . 20 CYS HB2 . 11131 1 138 . 1 1 20 20 CYS HB3 H 1 2.441 0.030 . 2 . . . . 20 CYS HB3 . 11131 1 139 . 1 1 20 20 CYS C C 13 174.311 0.300 . 1 . . . . 20 CYS C . 11131 1 140 . 1 1 20 20 CYS CA C 13 56.666 0.300 . 1 . . . . 20 CYS CA . 11131 1 141 . 1 1 20 20 CYS CB C 13 30.638 0.300 . 1 . . . . 20 CYS CB . 11131 1 142 . 1 1 20 20 CYS N N 15 120.298 0.300 . 1 . . . . 20 CYS N . 11131 1 143 . 1 1 21 21 SER H H 1 7.781 0.030 . 1 . . . . 21 SER H . 11131 1 144 . 1 1 21 21 SER HA H 1 4.111 0.030 . 1 . . . . 21 SER HA . 11131 1 145 . 1 1 21 21 SER HB2 H 1 3.900 0.030 . 2 . . . . 21 SER HB2 . 11131 1 146 . 1 1 21 21 SER HB3 H 1 4.077 0.030 . 2 . . . . 21 SER HB3 . 11131 1 147 . 1 1 21 21 SER C C 13 170.625 0.300 . 1 . . . . 21 SER C . 11131 1 148 . 1 1 21 21 SER CA C 13 58.877 0.300 . 1 . . . . 21 SER CA . 11131 1 149 . 1 1 21 21 SER CB C 13 60.045 0.300 . 1 . . . . 21 SER CB . 11131 1 150 . 1 1 21 21 SER N N 15 115.071 0.300 . 1 . . . . 21 SER N . 11131 1 151 . 1 1 22 22 ALA H H 1 8.569 0.030 . 1 . . . . 22 ALA H . 11131 1 152 . 1 1 22 22 ALA HA H 1 4.078 0.030 . 1 . . . . 22 ALA HA . 11131 1 153 . 1 1 22 22 ALA HB1 H 1 1.197 0.030 . 1 . . . . 22 ALA HB . 11131 1 154 . 1 1 22 22 ALA HB2 H 1 1.197 0.030 . 1 . . . . 22 ALA HB . 11131 1 155 . 1 1 22 22 ALA HB3 H 1 1.197 0.030 . 1 . . . . 22 ALA HB . 11131 1 156 . 1 1 22 22 ALA C C 13 174.792 0.300 . 1 . . . . 22 ALA C . 11131 1 157 . 1 1 22 22 ALA CA C 13 50.994 0.300 . 1 . . . . 22 ALA CA . 11131 1 158 . 1 1 22 22 ALA CB C 13 17.605 0.300 . 1 . . . . 22 ALA CB . 11131 1 159 . 1 1 22 22 ALA N N 15 126.261 0.300 . 1 . . . . 22 ALA N . 11131 1 160 . 1 1 23 23 THR H H 1 8.124 0.030 . 1 . . . . 23 THR H . 11131 1 161 . 1 1 23 23 THR HA H 1 4.099 0.030 . 1 . . . . 23 THR HA . 11131 1 162 . 1 1 23 23 THR HB H 1 3.903 0.030 . 1 . . . . 23 THR HB . 11131 1 163 . 1 1 23 23 THR HG21 H 1 1.187 0.030 . 1 . . . . 23 THR HG2 . 11131 1 164 . 1 1 23 23 THR HG22 H 1 1.187 0.030 . 1 . . . . 23 THR HG2 . 11131 1 165 . 1 1 23 23 THR HG23 H 1 1.187 0.030 . 1 . . . . 23 THR HG2 . 11131 1 166 . 1 1 23 23 THR C C 13 172.772 0.300 . 1 . . . . 23 THR C . 11131 1 167 . 1 1 23 23 THR CA C 13 59.610 0.300 . 1 . . . . 23 THR CA . 11131 1 168 . 1 1 23 23 THR CB C 13 67.511 0.300 . 1 . . . . 23 THR CB . 11131 1 169 . 1 1 23 23 THR CG2 C 13 19.741 0.300 . 1 . . . . 23 THR CG2 . 11131 1 170 . 1 1 23 23 THR N N 15 115.708 0.300 . 1 . . . . 23 THR N . 11131 1 171 . 1 1 24 24 PHE H H 1 7.908 0.030 . 1 . . . . 24 PHE H . 11131 1 172 . 1 1 24 24 PHE HA H 1 4.884 0.030 . 1 . . . . 24 PHE HA . 11131 1 173 . 1 1 24 24 PHE HB2 H 1 3.245 0.030 . 2 . . . . 24 PHE HB2 . 11131 1 174 . 1 1 24 24 PHE HB3 H 1 2.624 0.030 . 2 . . . . 24 PHE HB3 . 11131 1 175 . 1 1 24 24 PHE HD1 H 1 7.009 0.030 . 1 . . . . 24 PHE HD1 . 11131 1 176 . 1 1 24 24 PHE HD2 H 1 7.009 0.030 . 1 . . . . 24 PHE HD2 . 11131 1 177 . 1 1 24 24 PHE HE1 H 1 6.815 0.030 . 1 . . . . 24 PHE HE1 . 11131 1 178 . 1 1 24 24 PHE HE2 H 1 6.815 0.030 . 1 . . . . 24 PHE HE2 . 11131 1 179 . 1 1 24 24 PHE HZ H 1 6.487 0.030 . 1 . . . . 24 PHE HZ . 11131 1 180 . 1 1 24 24 PHE C C 13 173.079 0.300 . 1 . . . . 24 PHE C . 11131 1 181 . 1 1 24 24 PHE CA C 13 55.323 0.300 . 1 . . . . 24 PHE CA . 11131 1 182 . 1 1 24 24 PHE CB C 13 36.485 0.300 . 1 . . . . 24 PHE CB . 11131 1 183 . 1 1 24 24 PHE CD1 C 13 129.067 0.300 . 1 . . . . 24 PHE CD1 . 11131 1 184 . 1 1 24 24 PHE CD2 C 13 129.067 0.300 . 1 . . . . 24 PHE CD2 . 11131 1 185 . 1 1 24 24 PHE CE1 C 13 128.059 0.300 . 1 . . . . 24 PHE CE1 . 11131 1 186 . 1 1 24 24 PHE CE2 C 13 128.059 0.300 . 1 . . . . 24 PHE CE2 . 11131 1 187 . 1 1 24 24 PHE CZ C 13 125.305 0.300 . 1 . . . . 24 PHE CZ . 11131 1 188 . 1 1 24 24 PHE N N 15 123.827 0.300 . 1 . . . . 24 PHE N . 11131 1 189 . 1 1 25 25 SER HA H 1 4.393 0.030 . 1 . . . . 25 SER HA . 11131 1 190 . 1 1 25 25 SER HB2 H 1 3.769 0.030 . 2 . . . . 25 SER HB2 . 11131 1 191 . 1 1 25 25 SER HB3 H 1 4.058 0.030 . 2 . . . . 25 SER HB3 . 11131 1 192 . 1 1 25 25 SER CA C 13 55.291 0.300 . 1 . . . . 25 SER CA . 11131 1 193 . 1 1 25 25 SER CB C 13 63.455 0.300 . 1 . . . . 25 SER CB . 11131 1 194 . 1 1 26 26 VAL HA H 1 3.850 0.030 . 1 . . . . 26 VAL HA . 11131 1 195 . 1 1 26 26 VAL HB H 1 2.045 0.030 . 1 . . . . 26 VAL HB . 11131 1 196 . 1 1 26 26 VAL HG11 H 1 0.897 0.030 . 1 . . . . 26 VAL HG1 . 11131 1 197 . 1 1 26 26 VAL HG12 H 1 0.897 0.030 . 1 . . . . 26 VAL HG1 . 11131 1 198 . 1 1 26 26 VAL HG13 H 1 0.897 0.030 . 1 . . . . 26 VAL HG1 . 11131 1 199 . 1 1 26 26 VAL HG21 H 1 0.897 0.030 . 1 . . . . 26 VAL HG2 . 11131 1 200 . 1 1 26 26 VAL HG22 H 1 0.897 0.030 . 1 . . . . 26 VAL HG2 . 11131 1 201 . 1 1 26 26 VAL HG23 H 1 0.897 0.030 . 1 . . . . 26 VAL HG2 . 11131 1 202 . 1 1 26 26 VAL C C 13 174.090 0.300 . 1 . . . . 26 VAL C . 11131 1 203 . 1 1 26 26 VAL CA C 13 62.359 0.300 . 1 . . . . 26 VAL CA . 11131 1 204 . 1 1 26 26 VAL CB C 13 29.545 0.300 . 1 . . . . 26 VAL CB . 11131 1 205 . 1 1 26 26 VAL CG1 C 13 18.708 0.300 . 1 . . . . 26 VAL CG1 . 11131 1 206 . 1 1 26 26 VAL CG2 C 13 18.708 0.300 . 1 . . . . 26 VAL CG2 . 11131 1 207 . 1 1 27 27 LEU H H 1 7.625 0.030 . 1 . . . . 27 LEU H . 11131 1 208 . 1 1 27 27 LEU HA H 1 4.169 0.030 . 1 . . . . 27 LEU HA . 11131 1 209 . 1 1 27 27 LEU HB2 H 1 1.401 0.030 . 2 . . . . 27 LEU HB2 . 11131 1 210 . 1 1 27 27 LEU HB3 H 1 1.453 0.030 . 2 . . . . 27 LEU HB3 . 11131 1 211 . 1 1 27 27 LEU HD11 H 1 0.771 0.030 . 1 . . . . 27 LEU HD1 . 11131 1 212 . 1 1 27 27 LEU HD12 H 1 0.771 0.030 . 1 . . . . 27 LEU HD1 . 11131 1 213 . 1 1 27 27 LEU HD13 H 1 0.771 0.030 . 1 . . . . 27 LEU HD1 . 11131 1 214 . 1 1 27 27 LEU HD21 H 1 0.730 0.030 . 1 . . . . 27 LEU HD2 . 11131 1 215 . 1 1 27 27 LEU HD22 H 1 0.730 0.030 . 1 . . . . 27 LEU HD2 . 11131 1 216 . 1 1 27 27 LEU HD23 H 1 0.730 0.030 . 1 . . . . 27 LEU HD2 . 11131 1 217 . 1 1 27 27 LEU HG H 1 1.457 0.030 . 1 . . . . 27 LEU HG . 11131 1 218 . 1 1 27 27 LEU C C 13 174.876 0.300 . 1 . . . . 27 LEU C . 11131 1 219 . 1 1 27 27 LEU CA C 13 53.229 0.300 . 1 . . . . 27 LEU CA . 11131 1 220 . 1 1 27 27 LEU CB C 13 40.424 0.300 . 1 . . . . 27 LEU CB . 11131 1 221 . 1 1 27 27 LEU CD1 C 13 22.545 0.300 . 2 . . . . 27 LEU CD1 . 11131 1 222 . 1 1 27 27 LEU CD2 C 13 20.468 0.300 . 2 . . . . 27 LEU CD2 . 11131 1 223 . 1 1 27 27 LEU CG C 13 24.627 0.300 . 1 . . . . 27 LEU CG . 11131 1 224 . 1 1 27 27 LEU N N 15 118.098 0.300 . 1 . . . . 27 LEU N . 11131 1 225 . 1 1 28 28 LYS H H 1 7.540 0.030 . 1 . . . . 28 LYS H . 11131 1 226 . 1 1 28 28 LYS HA H 1 4.379 0.030 . 1 . . . . 28 LYS HA . 11131 1 227 . 1 1 28 28 LYS HB2 H 1 1.660 0.030 . 2 . . . . 28 LYS HB2 . 11131 1 228 . 1 1 28 28 LYS HB3 H 1 1.827 0.030 . 2 . . . . 28 LYS HB3 . 11131 1 229 . 1 1 28 28 LYS HD2 H 1 1.577 0.030 . 1 . . . . 28 LYS HD2 . 11131 1 230 . 1 1 28 28 LYS HD3 H 1 1.577 0.030 . 1 . . . . 28 LYS HD3 . 11131 1 231 . 1 1 28 28 LYS HE2 H 1 2.861 0.030 . 1 . . . . 28 LYS HE2 . 11131 1 232 . 1 1 28 28 LYS HE3 H 1 2.861 0.030 . 1 . . . . 28 LYS HE3 . 11131 1 233 . 1 1 28 28 LYS HG2 H 1 1.297 0.030 . 1 . . . . 28 LYS HG2 . 11131 1 234 . 1 1 28 28 LYS HG3 H 1 1.297 0.030 . 1 . . . . 28 LYS HG3 . 11131 1 235 . 1 1 28 28 LYS C C 13 172.232 0.300 . 1 . . . . 28 LYS C . 11131 1 236 . 1 1 28 28 LYS CA C 13 52.946 0.300 . 1 . . . . 28 LYS CA . 11131 1 237 . 1 1 28 28 LYS CB C 13 29.818 0.300 . 1 . . . . 28 LYS CB . 11131 1 238 . 1 1 28 28 LYS CD C 13 26.640 0.300 . 1 . . . . 28 LYS CD . 11131 1 239 . 1 1 28 28 LYS CE C 13 39.514 0.300 . 1 . . . . 28 LYS CE . 11131 1 240 . 1 1 28 28 LYS CG C 13 22.231 0.300 . 1 . . . . 28 LYS CG . 11131 1 241 . 1 1 28 28 LYS N N 15 122.488 0.300 . 1 . . . . 28 LYS N . 11131 1 242 . 1 1 29 29 LYS H H 1 7.842 0.030 . 1 . . . . 29 LYS H . 11131 1 243 . 1 1 29 29 LYS HA H 1 4.190 0.030 . 1 . . . . 29 LYS HA . 11131 1 244 . 1 1 29 29 LYS HB2 H 1 1.691 0.030 . 2 . . . . 29 LYS HB2 . 11131 1 245 . 1 1 29 29 LYS HB3 H 1 1.583 0.030 . 2 . . . . 29 LYS HB3 . 11131 1 246 . 1 1 29 29 LYS HD2 H 1 1.587 0.030 . 1 . . . . 29 LYS HD2 . 11131 1 247 . 1 1 29 29 LYS HD3 H 1 1.587 0.030 . 1 . . . . 29 LYS HD3 . 11131 1 248 . 1 1 29 29 LYS HE2 H 1 2.929 0.030 . 1 . . . . 29 LYS HE2 . 11131 1 249 . 1 1 29 29 LYS HE3 H 1 2.929 0.030 . 1 . . . . 29 LYS HE3 . 11131 1 250 . 1 1 29 29 LYS HG2 H 1 1.356 0.030 . 2 . . . . 29 LYS HG2 . 11131 1 251 . 1 1 29 29 LYS HG3 H 1 1.308 0.030 . 2 . . . . 29 LYS HG3 . 11131 1 252 . 1 1 29 29 LYS C C 13 174.333 0.300 . 1 . . . . 29 LYS C . 11131 1 253 . 1 1 29 29 LYS CA C 13 54.192 0.300 . 1 . . . . 29 LYS CA . 11131 1 254 . 1 1 29 29 LYS CB C 13 31.348 0.300 . 1 . . . . 29 LYS CB . 11131 1 255 . 1 1 29 29 LYS CD C 13 26.924 0.300 . 1 . . . . 29 LYS CD . 11131 1 256 . 1 1 29 29 LYS CE C 13 39.900 0.300 . 1 . . . . 29 LYS CE . 11131 1 257 . 1 1 29 29 LYS CG C 13 22.954 0.300 . 1 . . . . 29 LYS CG . 11131 1 258 . 1 1 29 29 LYS N N 15 121.741 0.300 . 1 . . . . 29 LYS N . 11131 1 259 . 1 1 30 30 ARG H H 1 7.908 0.030 . 1 . . . . 30 ARG H . 11131 1 260 . 1 1 30 30 ARG HA H 1 3.680 0.030 . 1 . . . . 30 ARG HA . 11131 1 261 . 1 1 30 30 ARG HB2 H 1 0.534 0.030 . 2 . . . . 30 ARG HB2 . 11131 1 262 . 1 1 30 30 ARG HB3 H 1 0.784 0.030 . 2 . . . . 30 ARG HB3 . 11131 1 263 . 1 1 30 30 ARG HD2 H 1 2.491 0.030 . 2 . . . . 30 ARG HD2 . 11131 1 264 . 1 1 30 30 ARG HD3 H 1 2.606 0.030 . 2 . . . . 30 ARG HD3 . 11131 1 265 . 1 1 30 30 ARG HG2 H 1 0.656 0.030 . 1 . . . . 30 ARG HG2 . 11131 1 266 . 1 1 30 30 ARG HG3 H 1 0.656 0.030 . 1 . . . . 30 ARG HG3 . 11131 1 267 . 1 1 30 30 ARG C C 13 173.109 0.300 . 1 . . . . 30 ARG C . 11131 1 268 . 1 1 30 30 ARG CA C 13 53.598 0.300 . 1 . . . . 30 ARG CA . 11131 1 269 . 1 1 30 30 ARG CB C 13 29.013 0.300 . 1 . . . . 30 ARG CB . 11131 1 270 . 1 1 30 30 ARG CD C 13 40.970 0.300 . 1 . . . . 30 ARG CD . 11131 1 271 . 1 1 30 30 ARG CG C 13 23.761 0.300 . 1 . . . . 30 ARG CG . 11131 1 272 . 1 1 30 30 ARG N N 15 121.104 0.300 . 1 . . . . 30 ARG N . 11131 1 273 . 1 1 31 31 ARG H H 1 9.142 0.030 . 1 . . . . 31 ARG H . 11131 1 274 . 1 1 31 31 ARG HA H 1 4.448 0.030 . 1 . . . . 31 ARG HA . 11131 1 275 . 1 1 31 31 ARG HB2 H 1 1.555 0.030 . 1 . . . . 31 ARG HB2 . 11131 1 276 . 1 1 31 31 ARG HB3 H 1 1.555 0.030 . 1 . . . . 31 ARG HB3 . 11131 1 277 . 1 1 31 31 ARG HD2 H 1 2.847 0.030 . 2 . . . . 31 ARG HD2 . 11131 1 278 . 1 1 31 31 ARG HD3 H 1 2.792 0.030 . 2 . . . . 31 ARG HD3 . 11131 1 279 . 1 1 31 31 ARG HG2 H 1 1.453 0.030 . 2 . . . . 31 ARG HG2 . 11131 1 280 . 1 1 31 31 ARG HG3 H 1 1.359 0.030 . 2 . . . . 31 ARG HG3 . 11131 1 281 . 1 1 31 31 ARG C C 13 172.468 0.300 . 1 . . . . 31 ARG C . 11131 1 282 . 1 1 31 31 ARG CA C 13 52.512 0.300 . 1 . . . . 31 ARG CA . 11131 1 283 . 1 1 31 31 ARG CB C 13 31.052 0.300 . 1 . . . . 31 ARG CB . 11131 1 284 . 1 1 31 31 ARG CD C 13 41.589 0.300 . 1 . . . . 31 ARG CD . 11131 1 285 . 1 1 31 31 ARG CG C 13 24.053 0.300 . 1 . . . . 31 ARG CG . 11131 1 286 . 1 1 31 31 ARG N N 15 124.475 0.300 . 1 . . . . 31 ARG N . 11131 1 287 . 1 1 32 32 SER H H 1 8.573 0.030 . 1 . . . . 32 SER H . 11131 1 288 . 1 1 32 32 SER HA H 1 5.167 0.030 . 1 . . . . 32 SER HA . 11131 1 289 . 1 1 32 32 SER HB2 H 1 3.500 0.030 . 1 . . . . 32 SER HB2 . 11131 1 290 . 1 1 32 32 SER HB3 H 1 3.500 0.030 . 1 . . . . 32 SER HB3 . 11131 1 291 . 1 1 32 32 SER C C 13 172.032 0.300 . 1 . . . . 32 SER C . 11131 1 292 . 1 1 32 32 SER CA C 13 54.570 0.300 . 1 . . . . 32 SER CA . 11131 1 293 . 1 1 32 32 SER CB C 13 61.586 0.300 . 1 . . . . 32 SER CB . 11131 1 294 . 1 1 32 32 SER N N 15 117.968 0.300 . 1 . . . . 32 SER N . 11131 1 295 . 1 1 33 33 CYS H H 1 8.712 0.030 . 1 . . . . 33 CYS H . 11131 1 296 . 1 1 33 33 CYS HA H 1 4.232 0.030 . 1 . . . . 33 CYS HA . 11131 1 297 . 1 1 33 33 CYS HB2 H 1 3.585 0.030 . 2 . . . . 33 CYS HB2 . 11131 1 298 . 1 1 33 33 CYS HB3 H 1 2.981 0.030 . 2 . . . . 33 CYS HB3 . 11131 1 299 . 1 1 33 33 CYS C C 13 175.914 0.300 . 1 . . . . 33 CYS C . 11131 1 300 . 1 1 33 33 CYS CA C 13 57.939 0.300 . 1 . . . . 33 CYS CA . 11131 1 301 . 1 1 33 33 CYS CB C 13 29.177 0.300 . 1 . . . . 33 CYS CB . 11131 1 302 . 1 1 33 33 CYS N N 15 127.133 0.300 . 1 . . . . 33 CYS N . 11131 1 303 . 1 1 34 34 SER H H 1 8.414 0.030 . 1 . . . . 34 SER H . 11131 1 304 . 1 1 34 34 SER HA H 1 4.159 0.030 . 1 . . . . 34 SER HA . 11131 1 305 . 1 1 34 34 SER HB2 H 1 3.686 0.030 . 2 . . . . 34 SER HB2 . 11131 1 306 . 1 1 34 34 SER HB3 H 1 3.819 0.030 . 2 . . . . 34 SER HB3 . 11131 1 307 . 1 1 34 34 SER C C 13 170.616 0.300 . 1 . . . . 34 SER C . 11131 1 308 . 1 1 34 34 SER CA C 13 59.645 0.300 . 1 . . . . 34 SER CA . 11131 1 309 . 1 1 34 34 SER CB C 13 61.445 0.300 . 1 . . . . 34 SER CB . 11131 1 310 . 1 1 34 34 SER N N 15 125.467 0.300 . 1 . . . . 34 SER N . 11131 1 311 . 1 1 35 35 ASN H H 1 9.138 0.030 . 1 . . . . 35 ASN H . 11131 1 312 . 1 1 35 35 ASN HA H 1 4.919 0.030 . 1 . . . . 35 ASN HA . 11131 1 313 . 1 1 35 35 ASN HB2 H 1 3.521 0.030 . 2 . . . . 35 ASN HB2 . 11131 1 314 . 1 1 35 35 ASN HB3 H 1 2.264 0.030 . 2 . . . . 35 ASN HB3 . 11131 1 315 . 1 1 35 35 ASN HD21 H 1 7.043 0.030 . 2 . . . . 35 ASN HD21 . 11131 1 316 . 1 1 35 35 ASN HD22 H 1 8.601 0.030 . 2 . . . . 35 ASN HD22 . 11131 1 317 . 1 1 35 35 ASN C C 13 172.511 0.300 . 1 . . . . 35 ASN C . 11131 1 318 . 1 1 35 35 ASN CA C 13 53.722 0.300 . 1 . . . . 35 ASN CA . 11131 1 319 . 1 1 35 35 ASN CB C 13 37.964 0.300 . 1 . . . . 35 ASN CB . 11131 1 320 . 1 1 35 35 ASN N N 15 120.308 0.300 . 1 . . . . 35 ASN N . 11131 1 321 . 1 1 35 35 ASN ND2 N 15 115.445 0.300 . 1 . . . . 35 ASN ND2 . 11131 1 322 . 1 1 36 36 CYS H H 1 8.573 0.030 . 1 . . . . 36 CYS H . 11131 1 323 . 1 1 36 36 CYS HA H 1 4.732 0.030 . 1 . . . . 36 CYS HA . 11131 1 324 . 1 1 36 36 CYS HB2 H 1 3.181 0.030 . 2 . . . . 36 CYS HB2 . 11131 1 325 . 1 1 36 36 CYS HB3 H 1 2.740 0.030 . 2 . . . . 36 CYS HB3 . 11131 1 326 . 1 1 36 36 CYS C C 13 174.566 0.300 . 1 . . . . 36 CYS C . 11131 1 327 . 1 1 36 36 CYS CA C 13 57.177 0.300 . 1 . . . . 36 CYS CA . 11131 1 328 . 1 1 36 36 CYS CB C 13 29.723 0.300 . 1 . . . . 36 CYS CB . 11131 1 329 . 1 1 36 36 CYS N N 15 118.041 0.300 . 1 . . . . 36 CYS N . 11131 1 330 . 1 1 37 37 GLY H H 1 7.640 0.030 . 1 . . . . 37 GLY H . 11131 1 331 . 1 1 37 37 GLY HA2 H 1 4.077 0.030 . 2 . . . . 37 GLY HA2 . 11131 1 332 . 1 1 37 37 GLY HA3 H 1 3.909 0.030 . 2 . . . . 37 GLY HA3 . 11131 1 333 . 1 1 37 37 GLY C C 13 171.731 0.300 . 1 . . . . 37 GLY C . 11131 1 334 . 1 1 37 37 GLY CA C 13 44.016 0.300 . 1 . . . . 37 GLY CA . 11131 1 335 . 1 1 37 37 GLY N N 15 110.163 0.300 . 1 . . . . 37 GLY N . 11131 1 336 . 1 1 38 38 ASN H H 1 8.136 0.030 . 1 . . . . 38 ASN H . 11131 1 337 . 1 1 38 38 ASN HA H 1 4.794 0.030 . 1 . . . . 38 ASN HA . 11131 1 338 . 1 1 38 38 ASN HB2 H 1 3.127 0.030 . 2 . . . . 38 ASN HB2 . 11131 1 339 . 1 1 38 38 ASN HB3 H 1 2.548 0.030 . 2 . . . . 38 ASN HB3 . 11131 1 340 . 1 1 38 38 ASN HD21 H 1 7.588 0.030 . 2 . . . . 38 ASN HD21 . 11131 1 341 . 1 1 38 38 ASN HD22 H 1 7.274 0.030 . 2 . . . . 38 ASN HD22 . 11131 1 342 . 1 1 38 38 ASN C C 13 171.499 0.300 . 1 . . . . 38 ASN C . 11131 1 343 . 1 1 38 38 ASN CA C 13 51.501 0.300 . 1 . . . . 38 ASN CA . 11131 1 344 . 1 1 38 38 ASN CB C 13 37.581 0.300 . 1 . . . . 38 ASN CB . 11131 1 345 . 1 1 38 38 ASN N N 15 119.155 0.300 . 1 . . . . 38 ASN N . 11131 1 346 . 1 1 38 38 ASN ND2 N 15 115.149 0.300 . 1 . . . . 38 ASN ND2 . 11131 1 347 . 1 1 39 39 SER H H 1 8.582 0.030 . 1 . . . . 39 SER H . 11131 1 348 . 1 1 39 39 SER HA H 1 4.868 0.030 . 1 . . . . 39 SER HA . 11131 1 349 . 1 1 39 39 SER HB2 H 1 3.535 0.030 . 2 . . . . 39 SER HB2 . 11131 1 350 . 1 1 39 39 SER HB3 H 1 3.836 0.030 . 2 . . . . 39 SER HB3 . 11131 1 351 . 1 1 39 39 SER C C 13 171.636 0.300 . 1 . . . . 39 SER C . 11131 1 352 . 1 1 39 39 SER CA C 13 56.578 0.300 . 1 . . . . 39 SER CA . 11131 1 353 . 1 1 39 39 SER CB C 13 62.027 0.300 . 1 . . . . 39 SER CB . 11131 1 354 . 1 1 39 39 SER N N 15 113.403 0.300 . 1 . . . . 39 SER N . 11131 1 355 . 1 1 40 40 PHE H H 1 9.347 0.030 . 1 . . . . 40 PHE H . 11131 1 356 . 1 1 40 40 PHE HA H 1 6.162 0.030 . 1 . . . . 40 PHE HA . 11131 1 357 . 1 1 40 40 PHE HB2 H 1 3.492 0.030 . 2 . . . . 40 PHE HB2 . 11131 1 358 . 1 1 40 40 PHE HB3 H 1 2.448 0.030 . 2 . . . . 40 PHE HB3 . 11131 1 359 . 1 1 40 40 PHE HD1 H 1 7.192 0.030 . 1 . . . . 40 PHE HD1 . 11131 1 360 . 1 1 40 40 PHE HD2 H 1 7.192 0.030 . 1 . . . . 40 PHE HD2 . 11131 1 361 . 1 1 40 40 PHE HE1 H 1 7.086 0.030 . 1 . . . . 40 PHE HE1 . 11131 1 362 . 1 1 40 40 PHE HE2 H 1 7.086 0.030 . 1 . . . . 40 PHE HE2 . 11131 1 363 . 1 1 40 40 PHE HZ H 1 7.577 0.030 . 1 . . . . 40 PHE HZ . 11131 1 364 . 1 1 40 40 PHE C C 13 171.996 0.300 . 1 . . . . 40 PHE C . 11131 1 365 . 1 1 40 40 PHE CA C 13 54.813 0.300 . 1 . . . . 40 PHE CA . 11131 1 366 . 1 1 40 40 PHE CB C 13 45.073 0.300 . 1 . . . . 40 PHE CB . 11131 1 367 . 1 1 40 40 PHE CD1 C 13 130.033 0.300 . 1 . . . . 40 PHE CD1 . 11131 1 368 . 1 1 40 40 PHE CD2 C 13 130.033 0.300 . 1 . . . . 40 PHE CD2 . 11131 1 369 . 1 1 40 40 PHE CZ C 13 128.633 0.300 . 1 . . . . 40 PHE CZ . 11131 1 370 . 1 1 40 40 PHE N N 15 123.885 0.300 . 1 . . . . 40 PHE N . 11131 1 371 . 1 1 41 41 CYS H H 1 10.069 0.030 . 1 . . . . 41 CYS H . 11131 1 372 . 1 1 41 41 CYS HA H 1 5.154 0.030 . 1 . . . . 41 CYS HA . 11131 1 373 . 1 1 41 41 CYS HB2 H 1 3.461 0.030 . 2 . . . . 41 CYS HB2 . 11131 1 374 . 1 1 41 41 CYS HB3 H 1 2.760 0.030 . 2 . . . . 41 CYS HB3 . 11131 1 375 . 1 1 41 41 CYS C C 13 173.785 0.300 . 1 . . . . 41 CYS C . 11131 1 376 . 1 1 41 41 CYS CA C 13 55.362 0.300 . 1 . . . . 41 CYS CA . 11131 1 377 . 1 1 41 41 CYS CB C 13 29.013 0.300 . 1 . . . . 41 CYS CB . 11131 1 378 . 1 1 41 41 CYS N N 15 120.220 0.300 . 1 . . . . 41 CYS N . 11131 1 379 . 1 1 42 42 SER H H 1 8.850 0.030 . 1 . . . . 42 SER H . 11131 1 380 . 1 1 42 42 SER HA H 1 3.516 0.030 . 1 . . . . 42 SER HA . 11131 1 381 . 1 1 42 42 SER HB2 H 1 3.674 0.030 . 2 . . . . 42 SER HB2 . 11131 1 382 . 1 1 42 42 SER HB3 H 1 3.625 0.030 . 2 . . . . 42 SER HB3 . 11131 1 383 . 1 1 42 42 SER C C 13 173.508 0.300 . 1 . . . . 42 SER C . 11131 1 384 . 1 1 42 42 SER CA C 13 59.312 0.300 . 1 . . . . 42 SER CA . 11131 1 385 . 1 1 42 42 SER CB C 13 60.086 0.300 . 1 . . . . 42 SER CB . 11131 1 386 . 1 1 42 42 SER N N 15 113.356 0.300 . 1 . . . . 42 SER N . 11131 1 387 . 1 1 43 43 ARG H H 1 7.948 0.030 . 1 . . . . 43 ARG H . 11131 1 388 . 1 1 43 43 ARG HA H 1 3.936 0.030 . 1 . . . . 43 ARG HA . 11131 1 389 . 1 1 43 43 ARG HB2 H 1 1.845 0.030 . 2 . . . . 43 ARG HB2 . 11131 1 390 . 1 1 43 43 ARG HB3 H 1 1.907 0.030 . 2 . . . . 43 ARG HB3 . 11131 1 391 . 1 1 43 43 ARG HD2 H 1 3.080 0.030 . 1 . . . . 43 ARG HD2 . 11131 1 392 . 1 1 43 43 ARG HD3 H 1 3.080 0.030 . 1 . . . . 43 ARG HD3 . 11131 1 393 . 1 1 43 43 ARG HG2 H 1 1.612 0.030 . 2 . . . . 43 ARG HG2 . 11131 1 394 . 1 1 43 43 ARG HG3 H 1 1.513 0.030 . 2 . . . . 43 ARG HG3 . 11131 1 395 . 1 1 43 43 ARG C C 13 176.959 0.300 . 1 . . . . 43 ARG C . 11131 1 396 . 1 1 43 43 ARG CA C 13 56.651 0.300 . 1 . . . . 43 ARG CA . 11131 1 397 . 1 1 43 43 ARG CB C 13 27.913 0.300 . 1 . . . . 43 ARG CB . 11131 1 398 . 1 1 43 43 ARG CD C 13 40.952 0.300 . 1 . . . . 43 ARG CD . 11131 1 399 . 1 1 43 43 ARG CG C 13 24.989 0.300 . 1 . . . . 43 ARG CG . 11131 1 400 . 1 1 43 43 ARG N N 15 122.526 0.300 . 1 . . . . 43 ARG N . 11131 1 401 . 1 1 44 44 CYS H H 1 8.183 0.030 . 1 . . . . 44 CYS H . 11131 1 402 . 1 1 44 44 CYS HA H 1 4.060 0.030 . 1 . . . . 44 CYS HA . 11131 1 403 . 1 1 44 44 CYS HB2 H 1 3.320 0.030 . 2 . . . . 44 CYS HB2 . 11131 1 404 . 1 1 44 44 CYS HB3 H 1 3.085 0.030 . 2 . . . . 44 CYS HB3 . 11131 1 405 . 1 1 44 44 CYS C C 13 172.878 0.300 . 1 . . . . 44 CYS C . 11131 1 406 . 1 1 44 44 CYS CA C 13 60.618 0.300 . 1 . . . . 44 CYS CA . 11131 1 407 . 1 1 44 44 CYS CB C 13 28.658 0.300 . 1 . . . . 44 CYS CB . 11131 1 408 . 1 1 44 44 CYS N N 15 121.163 0.300 . 1 . . . . 44 CYS N . 11131 1 409 . 1 1 45 45 CYS H H 1 7.521 0.030 . 1 . . . . 45 CYS H . 11131 1 410 . 1 1 45 45 CYS HA H 1 4.591 0.030 . 1 . . . . 45 CYS HA . 11131 1 411 . 1 1 45 45 CYS HB2 H 1 1.901 0.030 . 2 . . . . 45 CYS HB2 . 11131 1 412 . 1 1 45 45 CYS HB3 H 1 2.570 0.030 . 2 . . . . 45 CYS HB3 . 11131 1 413 . 1 1 45 45 CYS C C 13 170.819 0.300 . 1 . . . . 45 CYS C . 11131 1 414 . 1 1 45 45 CYS CA C 13 54.286 0.300 . 1 . . . . 45 CYS CA . 11131 1 415 . 1 1 45 45 CYS CB C 13 24.234 0.300 . 1 . . . . 45 CYS CB . 11131 1 416 . 1 1 45 45 CYS N N 15 120.669 0.300 . 1 . . . . 45 CYS N . 11131 1 417 . 1 1 46 46 SER H H 1 7.106 0.030 . 1 . . . . 46 SER H . 11131 1 418 . 1 1 46 46 SER HA H 1 4.192 0.030 . 1 . . . . 46 SER HA . 11131 1 419 . 1 1 46 46 SER HB2 H 1 3.673 0.030 . 2 . . . . 46 SER HB2 . 11131 1 420 . 1 1 46 46 SER HB3 H 1 3.633 0.030 . 2 . . . . 46 SER HB3 . 11131 1 421 . 1 1 46 46 SER C C 13 171.666 0.300 . 1 . . . . 46 SER C . 11131 1 422 . 1 1 46 46 SER CA C 13 55.180 0.300 . 1 . . . . 46 SER CA . 11131 1 423 . 1 1 46 46 SER CB C 13 61.776 0.300 . 1 . . . . 46 SER CB . 11131 1 424 . 1 1 46 46 SER N N 15 111.839 0.300 . 1 . . . . 46 SER N . 11131 1 425 . 1 1 47 47 PHE H H 1 7.955 0.030 . 1 . . . . 47 PHE H . 11131 1 426 . 1 1 47 47 PHE HA H 1 4.325 0.030 . 1 . . . . 47 PHE HA . 11131 1 427 . 1 1 47 47 PHE HB2 H 1 2.983 0.030 . 2 . . . . 47 PHE HB2 . 11131 1 428 . 1 1 47 47 PHE HB3 H 1 2.650 0.030 . 2 . . . . 47 PHE HB3 . 11131 1 429 . 1 1 47 47 PHE HD1 H 1 7.219 0.030 . 1 . . . . 47 PHE HD1 . 11131 1 430 . 1 1 47 47 PHE HD2 H 1 7.219 0.030 . 1 . . . . 47 PHE HD2 . 11131 1 431 . 1 1 47 47 PHE HE1 H 1 7.210 0.030 . 1 . . . . 47 PHE HE1 . 11131 1 432 . 1 1 47 47 PHE HE2 H 1 7.210 0.030 . 1 . . . . 47 PHE HE2 . 11131 1 433 . 1 1 47 47 PHE HZ H 1 7.209 0.030 . 1 . . . . 47 PHE HZ . 11131 1 434 . 1 1 47 47 PHE C C 13 172.466 0.300 . 1 . . . . 47 PHE C . 11131 1 435 . 1 1 47 47 PHE CA C 13 56.507 0.300 . 1 . . . . 47 PHE CA . 11131 1 436 . 1 1 47 47 PHE CB C 13 36.013 0.300 . 1 . . . . 47 PHE CB . 11131 1 437 . 1 1 47 47 PHE CD1 C 13 129.932 0.300 . 1 . . . . 47 PHE CD1 . 11131 1 438 . 1 1 47 47 PHE CD2 C 13 129.932 0.300 . 1 . . . . 47 PHE CD2 . 11131 1 439 . 1 1 47 47 PHE CE1 C 13 128.835 0.300 . 1 . . . . 47 PHE CE1 . 11131 1 440 . 1 1 47 47 PHE CE2 C 13 128.835 0.300 . 1 . . . . 47 PHE CE2 . 11131 1 441 . 1 1 47 47 PHE CZ C 13 127.274 0.300 . 1 . . . . 47 PHE CZ . 11131 1 442 . 1 1 47 47 PHE N N 15 122.484 0.300 . 1 . . . . 47 PHE N . 11131 1 443 . 1 1 48 48 LYS H H 1 8.504 0.030 . 1 . . . . 48 LYS H . 11131 1 444 . 1 1 48 48 LYS HA H 1 4.732 0.030 . 1 . . . . 48 LYS HA . 11131 1 445 . 1 1 48 48 LYS HB2 H 1 1.542 0.030 . 2 . . . . 48 LYS HB2 . 11131 1 446 . 1 1 48 48 LYS HB3 H 1 1.327 0.030 . 2 . . . . 48 LYS HB3 . 11131 1 447 . 1 1 48 48 LYS HD2 H 1 1.399 0.030 . 1 . . . . 48 LYS HD2 . 11131 1 448 . 1 1 48 48 LYS HD3 H 1 1.399 0.030 . 1 . . . . 48 LYS HD3 . 11131 1 449 . 1 1 48 48 LYS HE2 H 1 2.646 0.030 . 1 . . . . 48 LYS HE2 . 11131 1 450 . 1 1 48 48 LYS HE3 H 1 2.646 0.030 . 1 . . . . 48 LYS HE3 . 11131 1 451 . 1 1 48 48 LYS HG2 H 1 1.207 0.030 . 2 . . . . 48 LYS HG2 . 11131 1 452 . 1 1 48 48 LYS HG3 H 1 0.777 0.030 . 2 . . . . 48 LYS HG3 . 11131 1 453 . 1 1 48 48 LYS C C 13 174.580 0.300 . 1 . . . . 48 LYS C . 11131 1 454 . 1 1 48 48 LYS CA C 13 53.440 0.300 . 1 . . . . 48 LYS CA . 11131 1 455 . 1 1 48 48 LYS CB C 13 31.496 0.300 . 1 . . . . 48 LYS CB . 11131 1 456 . 1 1 48 48 LYS CD C 13 26.987 0.300 . 1 . . . . 48 LYS CD . 11131 1 457 . 1 1 48 48 LYS CE C 13 39.399 0.300 . 1 . . . . 48 LYS CE . 11131 1 458 . 1 1 48 48 LYS CG C 13 22.804 0.300 . 1 . . . . 48 LYS CG . 11131 1 459 . 1 1 48 48 LYS N N 15 123.111 0.300 . 1 . . . . 48 LYS N . 11131 1 460 . 1 1 49 49 VAL H H 1 8.597 0.030 . 1 . . . . 49 VAL H . 11131 1 461 . 1 1 49 49 VAL HA H 1 4.624 0.030 . 1 . . . . 49 VAL HA . 11131 1 462 . 1 1 49 49 VAL HB H 1 1.956 0.030 . 1 . . . . 49 VAL HB . 11131 1 463 . 1 1 49 49 VAL HG11 H 1 0.772 0.030 . 1 . . . . 49 VAL HG1 . 11131 1 464 . 1 1 49 49 VAL HG12 H 1 0.772 0.030 . 1 . . . . 49 VAL HG1 . 11131 1 465 . 1 1 49 49 VAL HG13 H 1 0.772 0.030 . 1 . . . . 49 VAL HG1 . 11131 1 466 . 1 1 49 49 VAL HG21 H 1 0.586 0.030 . 1 . . . . 49 VAL HG2 . 11131 1 467 . 1 1 49 49 VAL HG22 H 1 0.586 0.030 . 1 . . . . 49 VAL HG2 . 11131 1 468 . 1 1 49 49 VAL HG23 H 1 0.586 0.030 . 1 . . . . 49 VAL HG2 . 11131 1 469 . 1 1 49 49 VAL C C 13 170.651 0.300 . 1 . . . . 49 VAL C . 11131 1 470 . 1 1 49 49 VAL CA C 13 55.838 0.300 . 1 . . . . 49 VAL CA . 11131 1 471 . 1 1 49 49 VAL CB C 13 31.290 0.300 . 1 . . . . 49 VAL CB . 11131 1 472 . 1 1 49 49 VAL CG1 C 13 19.777 0.300 . 2 . . . . 49 VAL CG1 . 11131 1 473 . 1 1 49 49 VAL CG2 C 13 17.670 0.300 . 2 . . . . 49 VAL CG2 . 11131 1 474 . 1 1 49 49 VAL N N 15 119.671 0.300 . 1 . . . . 49 VAL N . 11131 1 475 . 1 1 50 50 PRO HA H 1 4.534 0.030 . 1 . . . . 50 PRO HA . 11131 1 476 . 1 1 50 50 PRO HB2 H 1 2.180 0.030 . 2 . . . . 50 PRO HB2 . 11131 1 477 . 1 1 50 50 PRO HB3 H 1 1.900 0.030 . 2 . . . . 50 PRO HB3 . 11131 1 478 . 1 1 50 50 PRO HD2 H 1 3.546 0.030 . 2 . . . . 50 PRO HD2 . 11131 1 479 . 1 1 50 50 PRO HD3 H 1 3.693 0.030 . 2 . . . . 50 PRO HD3 . 11131 1 480 . 1 1 50 50 PRO HG2 H 1 1.945 0.030 . 2 . . . . 50 PRO HG2 . 11131 1 481 . 1 1 50 50 PRO HG3 H 1 1.853 0.030 . 2 . . . . 50 PRO HG3 . 11131 1 482 . 1 1 50 50 PRO C C 13 175.794 0.300 . 1 . . . . 50 PRO C . 11131 1 483 . 1 1 50 50 PRO CA C 13 60.015 0.300 . 1 . . . . 50 PRO CA . 11131 1 484 . 1 1 50 50 PRO CB C 13 29.557 0.300 . 1 . . . . 50 PRO CB . 11131 1 485 . 1 1 50 50 PRO CD C 13 48.286 0.300 . 1 . . . . 50 PRO CD . 11131 1 486 . 1 1 50 50 PRO CG C 13 25.358 0.300 . 1 . . . . 50 PRO CG . 11131 1 487 . 1 1 51 51 LYS H H 1 8.598 0.030 . 1 . . . . 51 LYS H . 11131 1 488 . 1 1 51 51 LYS HA H 1 3.864 0.030 . 1 . . . . 51 LYS HA . 11131 1 489 . 1 1 51 51 LYS HB2 H 1 1.733 0.030 . 2 . . . . 51 LYS HB2 . 11131 1 490 . 1 1 51 51 LYS HB3 H 1 1.589 0.030 . 2 . . . . 51 LYS HB3 . 11131 1 491 . 1 1 51 51 LYS HD2 H 1 1.530 0.030 . 1 . . . . 51 LYS HD2 . 11131 1 492 . 1 1 51 51 LYS HD3 H 1 1.530 0.030 . 1 . . . . 51 LYS HD3 . 11131 1 493 . 1 1 51 51 LYS HE2 H 1 2.750 0.030 . 2 . . . . 51 LYS HE2 . 11131 1 494 . 1 1 51 51 LYS HE3 H 1 2.794 0.030 . 2 . . . . 51 LYS HE3 . 11131 1 495 . 1 1 51 51 LYS HG2 H 1 1.292 0.030 . 1 . . . . 51 LYS HG2 . 11131 1 496 . 1 1 51 51 LYS HG3 H 1 1.292 0.030 . 1 . . . . 51 LYS HG3 . 11131 1 497 . 1 1 51 51 LYS C C 13 175.463 0.300 . 1 . . . . 51 LYS C . 11131 1 498 . 1 1 51 51 LYS CA C 13 56.331 0.300 . 1 . . . . 51 LYS CA . 11131 1 499 . 1 1 51 51 LYS CB C 13 30.563 0.300 . 1 . . . . 51 LYS CB . 11131 1 500 . 1 1 51 51 LYS CD C 13 27.195 0.300 . 1 . . . . 51 LYS CD . 11131 1 501 . 1 1 51 51 LYS CE C 13 39.777 0.300 . 1 . . . . 51 LYS CE . 11131 1 502 . 1 1 51 51 LYS CG C 13 23.463 0.300 . 1 . . . . 51 LYS CG . 11131 1 503 . 1 1 51 51 LYS N N 15 124.493 0.300 . 1 . . . . 51 LYS N . 11131 1 504 . 1 1 52 52 SER H H 1 8.254 0.030 . 1 . . . . 52 SER H . 11131 1 505 . 1 1 52 52 SER HA H 1 4.304 0.030 . 1 . . . . 52 SER HA . 11131 1 506 . 1 1 52 52 SER HB2 H 1 3.855 0.030 . 2 . . . . 52 SER HB2 . 11131 1 507 . 1 1 52 52 SER HB3 H 1 3.656 0.030 . 2 . . . . 52 SER HB3 . 11131 1 508 . 1 1 52 52 SER C C 13 173.557 0.300 . 1 . . . . 52 SER C . 11131 1 509 . 1 1 52 52 SER CA C 13 56.930 0.300 . 1 . . . . 52 SER CA . 11131 1 510 . 1 1 52 52 SER CB C 13 60.727 0.300 . 1 . . . . 52 SER CB . 11131 1 511 . 1 1 52 52 SER N N 15 114.682 0.300 . 1 . . . . 52 SER N . 11131 1 512 . 1 1 53 53 SER H H 1 8.100 0.030 . 1 . . . . 53 SER H . 11131 1 513 . 1 1 53 53 SER HA H 1 4.286 0.030 . 1 . . . . 53 SER HA . 11131 1 514 . 1 1 53 53 SER HB2 H 1 3.818 0.030 . 1 . . . . 53 SER HB2 . 11131 1 515 . 1 1 53 53 SER HB3 H 1 3.818 0.030 . 1 . . . . 53 SER HB3 . 11131 1 516 . 1 1 53 53 SER C C 13 172.292 0.300 . 1 . . . . 53 SER C . 11131 1 517 . 1 1 53 53 SER CA C 13 57.615 0.300 . 1 . . . . 53 SER CA . 11131 1 518 . 1 1 53 53 SER CB C 13 61.033 0.300 . 1 . . . . 53 SER CB . 11131 1 519 . 1 1 53 53 SER N N 15 118.596 0.300 . 1 . . . . 53 SER N . 11131 1 520 . 1 1 54 54 MET H H 1 7.807 0.030 . 1 . . . . 54 MET H . 11131 1 521 . 1 1 54 54 MET HA H 1 4.372 0.030 . 1 . . . . 54 MET HA . 11131 1 522 . 1 1 54 54 MET HB2 H 1 1.898 0.030 . 2 . . . . 54 MET HB2 . 11131 1 523 . 1 1 54 54 MET HB3 H 1 2.138 0.030 . 2 . . . . 54 MET HB3 . 11131 1 524 . 1 1 54 54 MET HE1 H 1 1.878 0.030 . 1 . . . . 54 MET HE . 11131 1 525 . 1 1 54 54 MET HE2 H 1 1.878 0.030 . 1 . . . . 54 MET HE . 11131 1 526 . 1 1 54 54 MET HE3 H 1 1.878 0.030 . 1 . . . . 54 MET HE . 11131 1 527 . 1 1 54 54 MET HG2 H 1 2.382 0.030 . 1 . . . . 54 MET HG2 . 11131 1 528 . 1 1 54 54 MET HG3 H 1 2.382 0.030 . 1 . . . . 54 MET HG3 . 11131 1 529 . 1 1 54 54 MET C C 13 174.074 0.300 . 1 . . . . 54 MET C . 11131 1 530 . 1 1 54 54 MET CA C 13 53.264 0.300 . 1 . . . . 54 MET CA . 11131 1 531 . 1 1 54 54 MET CB C 13 30.648 0.300 . 1 . . . . 54 MET CB . 11131 1 532 . 1 1 54 54 MET CE C 13 14.785 0.300 . 1 . . . . 54 MET CE . 11131 1 533 . 1 1 54 54 MET CG C 13 29.847 0.300 . 1 . . . . 54 MET CG . 11131 1 534 . 1 1 54 54 MET N N 15 119.703 0.300 . 1 . . . . 54 MET N . 11131 1 535 . 1 1 55 55 GLY H H 1 7.868 0.030 . 1 . . . . 55 GLY H . 11131 1 536 . 1 1 55 55 GLY HA2 H 1 4.019 0.030 . 2 . . . . 55 GLY HA2 . 11131 1 537 . 1 1 55 55 GLY HA3 H 1 3.700 0.030 . 2 . . . . 55 GLY HA3 . 11131 1 538 . 1 1 55 55 GLY C C 13 171.468 0.300 . 1 . . . . 55 GLY C . 11131 1 539 . 1 1 55 55 GLY CA C 13 42.864 0.300 . 1 . . . . 55 GLY CA . 11131 1 540 . 1 1 55 55 GLY N N 15 107.872 0.300 . 1 . . . . 55 GLY N . 11131 1 541 . 1 1 56 56 ALA H H 1 7.707 0.030 . 1 . . . . 56 ALA H . 11131 1 542 . 1 1 56 56 ALA HA H 1 4.239 0.030 . 1 . . . . 56 ALA HA . 11131 1 543 . 1 1 56 56 ALA HB1 H 1 1.219 0.030 . 1 . . . . 56 ALA HB . 11131 1 544 . 1 1 56 56 ALA HB2 H 1 1.219 0.030 . 1 . . . . 56 ALA HB . 11131 1 545 . 1 1 56 56 ALA HB3 H 1 1.219 0.030 . 1 . . . . 56 ALA HB . 11131 1 546 . 1 1 56 56 ALA C C 13 175.732 0.300 . 1 . . . . 56 ALA C . 11131 1 547 . 1 1 56 56 ALA CA C 13 50.465 0.300 . 1 . . . . 56 ALA CA . 11131 1 548 . 1 1 56 56 ALA CB C 13 16.934 0.300 . 1 . . . . 56 ALA CB . 11131 1 549 . 1 1 56 56 ALA N N 15 122.785 0.300 . 1 . . . . 56 ALA N . 11131 1 550 . 1 1 57 57 THR H H 1 8.042 0.030 . 1 . . . . 57 THR H . 11131 1 551 . 1 1 57 57 THR HA H 1 4.203 0.030 . 1 . . . . 57 THR HA . 11131 1 552 . 1 1 57 57 THR HB H 1 4.110 0.030 . 1 . . . . 57 THR HB . 11131 1 553 . 1 1 57 57 THR HG21 H 1 1.078 0.030 . 1 . . . . 57 THR HG2 . 11131 1 554 . 1 1 57 57 THR HG22 H 1 1.078 0.030 . 1 . . . . 57 THR HG2 . 11131 1 555 . 1 1 57 57 THR HG23 H 1 1.078 0.030 . 1 . . . . 57 THR HG2 . 11131 1 556 . 1 1 57 57 THR C C 13 172.058 0.300 . 1 . . . . 57 THR C . 11131 1 557 . 1 1 57 57 THR CA C 13 59.198 0.300 . 1 . . . . 57 THR CA . 11131 1 558 . 1 1 57 57 THR CB C 13 67.515 0.300 . 1 . . . . 57 THR CB . 11131 1 559 . 1 1 57 57 THR CG2 C 13 19.344 0.300 . 1 . . . . 57 THR CG2 . 11131 1 560 . 1 1 57 57 THR N N 15 112.053 0.300 . 1 . . . . 57 THR N . 11131 1 561 . 1 1 58 58 ALA H H 1 8.000 0.030 . 1 . . . . 58 ALA H . 11131 1 562 . 1 1 58 58 ALA HA H 1 4.485 0.030 . 1 . . . . 58 ALA HA . 11131 1 563 . 1 1 58 58 ALA HB1 H 1 1.309 0.030 . 1 . . . . 58 ALA HB . 11131 1 564 . 1 1 58 58 ALA HB2 H 1 1.309 0.030 . 1 . . . . 58 ALA HB . 11131 1 565 . 1 1 58 58 ALA HB3 H 1 1.309 0.030 . 1 . . . . 58 ALA HB . 11131 1 566 . 1 1 58 58 ALA C C 13 173.977 0.300 . 1 . . . . 58 ALA C . 11131 1 567 . 1 1 58 58 ALA CA C 13 48.540 0.300 . 1 . . . . 58 ALA CA . 11131 1 568 . 1 1 58 58 ALA CB C 13 15.606 0.300 . 1 . . . . 58 ALA CB . 11131 1 569 . 1 1 58 58 ALA N N 15 127.054 0.300 . 1 . . . . 58 ALA N . 11131 1 570 . 1 1 59 59 PRO HA H 1 4.206 0.030 . 1 . . . . 59 PRO HA . 11131 1 571 . 1 1 59 59 PRO HB2 H 1 1.817 0.030 . 2 . . . . 59 PRO HB2 . 11131 1 572 . 1 1 59 59 PRO HB3 H 1 2.240 0.030 . 2 . . . . 59 PRO HB3 . 11131 1 573 . 1 1 59 59 PRO HD2 H 1 3.643 0.030 . 2 . . . . 59 PRO HD2 . 11131 1 574 . 1 1 59 59 PRO HD3 H 1 3.757 0.030 . 2 . . . . 59 PRO HD3 . 11131 1 575 . 1 1 59 59 PRO HG2 H 1 1.946 0.030 . 2 . . . . 59 PRO HG2 . 11131 1 576 . 1 1 59 59 PRO HG3 H 1 2.019 0.030 . 2 . . . . 59 PRO HG3 . 11131 1 577 . 1 1 59 59 PRO C C 13 175.925 0.300 . 1 . . . . 59 PRO C . 11131 1 578 . 1 1 59 59 PRO CA C 13 62.358 0.300 . 1 . . . . 59 PRO CA . 11131 1 579 . 1 1 59 59 PRO CB C 13 29.532 0.300 . 1 . . . . 59 PRO CB . 11131 1 580 . 1 1 59 59 PRO CD C 13 48.098 0.300 . 1 . . . . 59 PRO CD . 11131 1 581 . 1 1 59 59 PRO CG C 13 25.334 0.300 . 1 . . . . 59 PRO CG . 11131 1 582 . 1 1 60 60 GLU H H 1 8.851 0.030 . 1 . . . . 60 GLU H . 11131 1 583 . 1 1 60 60 GLU HA H 1 4.019 0.030 . 1 . . . . 60 GLU HA . 11131 1 584 . 1 1 60 60 GLU HB2 H 1 1.955 0.030 . 2 . . . . 60 GLU HB2 . 11131 1 585 . 1 1 60 60 GLU HB3 H 1 1.884 0.030 . 2 . . . . 60 GLU HB3 . 11131 1 586 . 1 1 60 60 GLU HG2 H 1 2.165 0.030 . 1 . . . . 60 GLU HG2 . 11131 1 587 . 1 1 60 60 GLU HG3 H 1 2.165 0.030 . 1 . . . . 60 GLU HG3 . 11131 1 588 . 1 1 60 60 GLU C C 13 174.736 0.300 . 1 . . . . 60 GLU C . 11131 1 589 . 1 1 60 60 GLU CA C 13 55.681 0.300 . 1 . . . . 60 GLU CA . 11131 1 590 . 1 1 60 60 GLU CB C 13 26.574 0.300 . 1 . . . . 60 GLU CB . 11131 1 591 . 1 1 60 60 GLU CG C 13 33.873 0.300 . 1 . . . . 60 GLU CG . 11131 1 592 . 1 1 60 60 GLU N N 15 117.471 0.300 . 1 . . . . 60 GLU N . 11131 1 593 . 1 1 61 61 ALA H H 1 7.830 0.030 . 1 . . . . 61 ALA H . 11131 1 594 . 1 1 61 61 ALA HA H 1 4.191 0.030 . 1 . . . . 61 ALA HA . 11131 1 595 . 1 1 61 61 ALA HB1 H 1 1.284 0.030 . 1 . . . . 61 ALA HB . 11131 1 596 . 1 1 61 61 ALA HB2 H 1 1.284 0.030 . 1 . . . . 61 ALA HB . 11131 1 597 . 1 1 61 61 ALA HB3 H 1 1.284 0.030 . 1 . . . . 61 ALA HB . 11131 1 598 . 1 1 61 61 ALA C C 13 175.732 0.300 . 1 . . . . 61 ALA C . 11131 1 599 . 1 1 61 61 ALA CA C 13 50.796 0.300 . 1 . . . . 61 ALA CA . 11131 1 600 . 1 1 61 61 ALA CB C 13 16.911 0.300 . 1 . . . . 61 ALA CB . 11131 1 601 . 1 1 61 61 ALA N N 15 122.050 0.300 . 1 . . . . 61 ALA N . 11131 1 602 . 1 1 62 62 GLN H H 1 7.785 0.030 . 1 . . . . 62 GLN H . 11131 1 603 . 1 1 62 62 GLN HA H 1 4.138 0.030 . 1 . . . . 62 GLN HA . 11131 1 604 . 1 1 62 62 GLN HB2 H 1 1.900 0.030 . 2 . . . . 62 GLN HB2 . 11131 1 605 . 1 1 62 62 GLN HB3 H 1 2.030 0.030 . 2 . . . . 62 GLN HB3 . 11131 1 606 . 1 1 62 62 GLN HE21 H 1 7.394 0.030 . 2 . . . . 62 GLN HE21 . 11131 1 607 . 1 1 62 62 GLN HE22 H 1 6.759 0.030 . 2 . . . . 62 GLN HE22 . 11131 1 608 . 1 1 62 62 GLN HG2 H 1 2.291 0.030 . 1 . . . . 62 GLN HG2 . 11131 1 609 . 1 1 62 62 GLN HG3 H 1 2.291 0.030 . 1 . . . . 62 GLN HG3 . 11131 1 610 . 1 1 62 62 GLN C C 13 173.924 0.300 . 1 . . . . 62 GLN C . 11131 1 611 . 1 1 62 62 GLN CA C 13 54.386 0.300 . 1 . . . . 62 GLN CA . 11131 1 612 . 1 1 62 62 GLN CB C 13 26.794 0.300 . 1 . . . . 62 GLN CB . 11131 1 613 . 1 1 62 62 GLN CG C 13 31.620 0.300 . 1 . . . . 62 GLN CG . 11131 1 614 . 1 1 62 62 GLN N N 15 116.223 0.300 . 1 . . . . 62 GLN N . 11131 1 615 . 1 1 62 62 GLN NE2 N 15 111.761 0.300 . 1 . . . . 62 GLN NE2 . 11131 1 616 . 1 1 63 63 ARG H H 1 7.879 0.030 . 1 . . . . 63 ARG H . 11131 1 617 . 1 1 63 63 ARG HA H 1 4.261 0.030 . 1 . . . . 63 ARG HA . 11131 1 618 . 1 1 63 63 ARG HB2 H 1 1.823 0.030 . 2 . . . . 63 ARG HB2 . 11131 1 619 . 1 1 63 63 ARG HB3 H 1 1.661 0.030 . 2 . . . . 63 ARG HB3 . 11131 1 620 . 1 1 63 63 ARG HD2 H 1 3.085 0.030 . 1 . . . . 63 ARG HD2 . 11131 1 621 . 1 1 63 63 ARG HD3 H 1 3.085 0.030 . 1 . . . . 63 ARG HD3 . 11131 1 622 . 1 1 63 63 ARG HG2 H 1 1.517 0.030 . 1 . . . . 63 ARG HG2 . 11131 1 623 . 1 1 63 63 ARG HG3 H 1 1.517 0.030 . 1 . . . . 63 ARG HG3 . 11131 1 624 . 1 1 63 63 ARG C C 13 173.853 0.300 . 1 . . . . 63 ARG C . 11131 1 625 . 1 1 63 63 ARG CA C 13 53.621 0.300 . 1 . . . . 63 ARG CA . 11131 1 626 . 1 1 63 63 ARG CB C 13 28.470 0.300 . 1 . . . . 63 ARG CB . 11131 1 627 . 1 1 63 63 ARG CD C 13 41.095 0.300 . 1 . . . . 63 ARG CD . 11131 1 628 . 1 1 63 63 ARG CG C 13 24.864 0.300 . 1 . . . . 63 ARG CG . 11131 1 629 . 1 1 63 63 ARG N N 15 118.208 0.300 . 1 . . . . 63 ARG N . 11131 1 630 . 1 1 64 64 GLU H H 1 7.844 0.030 . 1 . . . . 64 GLU H . 11131 1 631 . 1 1 64 64 GLU HA H 1 4.278 0.030 . 1 . . . . 64 GLU HA . 11131 1 632 . 1 1 64 64 GLU HB2 H 1 1.885 0.030 . 2 . . . . 64 GLU HB2 . 11131 1 633 . 1 1 64 64 GLU HB3 H 1 1.854 0.030 . 2 . . . . 64 GLU HB3 . 11131 1 634 . 1 1 64 64 GLU HG2 H 1 2.079 0.030 . 2 . . . . 64 GLU HG2 . 11131 1 635 . 1 1 64 64 GLU HG3 H 1 2.245 0.030 . 2 . . . . 64 GLU HG3 . 11131 1 636 . 1 1 64 64 GLU C C 13 173.697 0.300 . 1 . . . . 64 GLU C . 11131 1 637 . 1 1 64 64 GLU CA C 13 53.934 0.300 . 1 . . . . 64 GLU CA . 11131 1 638 . 1 1 64 64 GLU CB C 13 28.736 0.300 . 1 . . . . 64 GLU CB . 11131 1 639 . 1 1 64 64 GLU CG C 13 33.963 0.300 . 1 . . . . 64 GLU CG . 11131 1 640 . 1 1 64 64 GLU N N 15 121.244 0.300 . 1 . . . . 64 GLU N . 11131 1 641 . 1 1 65 65 THR H H 1 8.212 0.030 . 1 . . . . 65 THR H . 11131 1 642 . 1 1 65 65 THR HA H 1 4.696 0.030 . 1 . . . . 65 THR HA . 11131 1 643 . 1 1 65 65 THR HB H 1 3.734 0.030 . 1 . . . . 65 THR HB . 11131 1 644 . 1 1 65 65 THR HG21 H 1 0.782 0.030 . 1 . . . . 65 THR HG2 . 11131 1 645 . 1 1 65 65 THR HG22 H 1 0.782 0.030 . 1 . . . . 65 THR HG2 . 11131 1 646 . 1 1 65 65 THR HG23 H 1 0.782 0.030 . 1 . . . . 65 THR HG2 . 11131 1 647 . 1 1 65 65 THR C C 13 171.512 0.300 . 1 . . . . 65 THR C . 11131 1 648 . 1 1 65 65 THR CA C 13 58.164 0.300 . 1 . . . . 65 THR CA . 11131 1 649 . 1 1 65 65 THR CB C 13 69.029 0.300 . 1 . . . . 65 THR CB . 11131 1 650 . 1 1 65 65 THR CG2 C 13 19.084 0.300 . 1 . . . . 65 THR CG2 . 11131 1 651 . 1 1 65 65 THR N N 15 114.387 0.300 . 1 . . . . 65 THR N . 11131 1 652 . 1 1 66 66 VAL H H 1 8.498 0.030 . 1 . . . . 66 VAL H . 11131 1 653 . 1 1 66 66 VAL HA H 1 4.323 0.030 . 1 . . . . 66 VAL HA . 11131 1 654 . 1 1 66 66 VAL HB H 1 2.209 0.030 . 1 . . . . 66 VAL HB . 11131 1 655 . 1 1 66 66 VAL HG11 H 1 0.737 0.030 . 1 . . . . 66 VAL HG1 . 11131 1 656 . 1 1 66 66 VAL HG12 H 1 0.737 0.030 . 1 . . . . 66 VAL HG1 . 11131 1 657 . 1 1 66 66 VAL HG13 H 1 0.737 0.030 . 1 . . . . 66 VAL HG1 . 11131 1 658 . 1 1 66 66 VAL HG21 H 1 0.560 0.030 . 1 . . . . 66 VAL HG2 . 11131 1 659 . 1 1 66 66 VAL HG22 H 1 0.560 0.030 . 1 . . . . 66 VAL HG2 . 11131 1 660 . 1 1 66 66 VAL HG23 H 1 0.560 0.030 . 1 . . . . 66 VAL HG2 . 11131 1 661 . 1 1 66 66 VAL C C 13 171.803 0.300 . 1 . . . . 66 VAL C . 11131 1 662 . 1 1 66 66 VAL CA C 13 57.142 0.300 . 1 . . . . 66 VAL CA . 11131 1 663 . 1 1 66 66 VAL CB C 13 32.295 0.300 . 1 . . . . 66 VAL CB . 11131 1 664 . 1 1 66 66 VAL CG1 C 13 20.139 0.300 . 2 . . . . 66 VAL CG1 . 11131 1 665 . 1 1 66 66 VAL CG2 C 13 16.626 0.300 . 2 . . . . 66 VAL CG2 . 11131 1 666 . 1 1 66 66 VAL N N 15 116.267 0.300 . 1 . . . . 66 VAL N . 11131 1 667 . 1 1 67 67 PHE H H 1 8.319 0.030 . 1 . . . . 67 PHE H . 11131 1 668 . 1 1 67 67 PHE HA H 1 5.444 0.030 . 1 . . . . 67 PHE HA . 11131 1 669 . 1 1 67 67 PHE HB2 H 1 2.983 0.030 . 2 . . . . 67 PHE HB2 . 11131 1 670 . 1 1 67 67 PHE HB3 H 1 2.738 0.030 . 2 . . . . 67 PHE HB3 . 11131 1 671 . 1 1 67 67 PHE HD1 H 1 6.975 0.030 . 1 . . . . 67 PHE HD1 . 11131 1 672 . 1 1 67 67 PHE HD2 H 1 6.975 0.030 . 1 . . . . 67 PHE HD2 . 11131 1 673 . 1 1 67 67 PHE HE1 H 1 7.136 0.030 . 1 . . . . 67 PHE HE1 . 11131 1 674 . 1 1 67 67 PHE HE2 H 1 7.136 0.030 . 1 . . . . 67 PHE HE2 . 11131 1 675 . 1 1 67 67 PHE HZ H 1 7.130 0.030 . 1 . . . . 67 PHE HZ . 11131 1 676 . 1 1 67 67 PHE C C 13 174.827 0.300 . 1 . . . . 67 PHE C . 11131 1 677 . 1 1 67 67 PHE CA C 13 54.897 0.300 . 1 . . . . 67 PHE CA . 11131 1 678 . 1 1 67 67 PHE CB C 13 39.413 0.300 . 1 . . . . 67 PHE CB . 11131 1 679 . 1 1 67 67 PHE CD1 C 13 129.128 0.300 . 1 . . . . 67 PHE CD1 . 11131 1 680 . 1 1 67 67 PHE CD2 C 13 129.128 0.300 . 1 . . . . 67 PHE CD2 . 11131 1 681 . 1 1 67 67 PHE CE1 C 13 129.030 0.300 . 1 . . . . 67 PHE CE1 . 11131 1 682 . 1 1 67 67 PHE CE2 C 13 129.030 0.300 . 1 . . . . 67 PHE CE2 . 11131 1 683 . 1 1 67 67 PHE CZ C 13 127.186 0.300 . 1 . . . . 67 PHE CZ . 11131 1 684 . 1 1 67 67 PHE N N 15 117.973 0.300 . 1 . . . . 67 PHE N . 11131 1 685 . 1 1 68 68 VAL H H 1 9.281 0.030 . 1 . . . . 68 VAL H . 11131 1 686 . 1 1 68 68 VAL HA H 1 5.565 0.030 . 1 . . . . 68 VAL HA . 11131 1 687 . 1 1 68 68 VAL HB H 1 2.196 0.030 . 1 . . . . 68 VAL HB . 11131 1 688 . 1 1 68 68 VAL HG11 H 1 0.705 0.030 . 1 . . . . 68 VAL HG1 . 11131 1 689 . 1 1 68 68 VAL HG12 H 1 0.705 0.030 . 1 . . . . 68 VAL HG1 . 11131 1 690 . 1 1 68 68 VAL HG13 H 1 0.705 0.030 . 1 . . . . 68 VAL HG1 . 11131 1 691 . 1 1 68 68 VAL HG21 H 1 0.719 0.030 . 1 . . . . 68 VAL HG2 . 11131 1 692 . 1 1 68 68 VAL HG22 H 1 0.719 0.030 . 1 . . . . 68 VAL HG2 . 11131 1 693 . 1 1 68 68 VAL HG23 H 1 0.719 0.030 . 1 . . . . 68 VAL HG2 . 11131 1 694 . 1 1 68 68 VAL C C 13 172.199 0.300 . 1 . . . . 68 VAL C . 11131 1 695 . 1 1 68 68 VAL CA C 13 56.507 0.300 . 1 . . . . 68 VAL CA . 11131 1 696 . 1 1 68 68 VAL CB C 13 34.866 0.300 . 1 . . . . 68 VAL CB . 11131 1 697 . 1 1 68 68 VAL CG1 C 13 20.168 0.300 . 2 . . . . 68 VAL CG1 . 11131 1 698 . 1 1 68 68 VAL CG2 C 13 16.607 0.300 . 2 . . . . 68 VAL CG2 . 11131 1 699 . 1 1 68 68 VAL N N 15 115.892 0.300 . 1 . . . . 68 VAL N . 11131 1 700 . 1 1 69 69 CYS H H 1 8.470 0.030 . 1 . . . . 69 CYS H . 11131 1 701 . 1 1 69 69 CYS HA H 1 4.843 0.030 . 1 . . . . 69 CYS HA . 11131 1 702 . 1 1 69 69 CYS HB2 H 1 2.366 0.030 . 2 . . . . 69 CYS HB2 . 11131 1 703 . 1 1 69 69 CYS HB3 H 1 1.378 0.030 . 2 . . . . 69 CYS HB3 . 11131 1 704 . 1 1 69 69 CYS C C 13 173.207 0.300 . 1 . . . . 69 CYS C . 11131 1 705 . 1 1 69 69 CYS CA C 13 54.674 0.300 . 1 . . . . 69 CYS CA . 11131 1 706 . 1 1 69 69 CYS CB C 13 29.628 0.300 . 1 . . . . 69 CYS CB . 11131 1 707 . 1 1 69 69 CYS N N 15 119.620 0.300 . 1 . . . . 69 CYS N . 11131 1 708 . 1 1 70 70 ALA H H 1 8.326 0.030 . 1 . . . . 70 ALA H . 11131 1 709 . 1 1 70 70 ALA HA H 1 3.264 0.030 . 1 . . . . 70 ALA HA . 11131 1 710 . 1 1 70 70 ALA HB1 H 1 1.366 0.030 . 1 . . . . 70 ALA HB . 11131 1 711 . 1 1 70 70 ALA HB2 H 1 1.366 0.030 . 1 . . . . 70 ALA HB . 11131 1 712 . 1 1 70 70 ALA HB3 H 1 1.366 0.030 . 1 . . . . 70 ALA HB . 11131 1 713 . 1 1 70 70 ALA C C 13 178.345 0.300 . 1 . . . . 70 ALA C . 11131 1 714 . 1 1 70 70 ALA CA C 13 53.246 0.300 . 1 . . . . 70 ALA CA . 11131 1 715 . 1 1 70 70 ALA CB C 13 16.371 0.300 . 1 . . . . 70 ALA CB . 11131 1 716 . 1 1 70 70 ALA N N 15 119.778 0.300 . 1 . . . . 70 ALA N . 11131 1 717 . 1 1 71 71 SER H H 1 8.161 0.030 . 1 . . . . 71 SER H . 11131 1 718 . 1 1 71 71 SER HA H 1 4.112 0.030 . 1 . . . . 71 SER HA . 11131 1 719 . 1 1 71 71 SER HB2 H 1 3.953 0.030 . 1 . . . . 71 SER HB2 . 11131 1 720 . 1 1 71 71 SER HB3 H 1 3.953 0.030 . 1 . . . . 71 SER HB3 . 11131 1 721 . 1 1 71 71 SER C C 13 175.501 0.300 . 1 . . . . 71 SER C . 11131 1 722 . 1 1 71 71 SER CA C 13 59.350 0.300 . 1 . . . . 71 SER CA . 11131 1 723 . 1 1 71 71 SER CB C 13 60.333 0.300 . 1 . . . . 71 SER CB . 11131 1 724 . 1 1 71 71 SER N N 15 114.698 0.300 . 1 . . . . 71 SER N . 11131 1 725 . 1 1 72 72 CYS H H 1 8.809 0.030 . 1 . . . . 72 CYS H . 11131 1 726 . 1 1 72 72 CYS HA H 1 3.834 0.030 . 1 . . . . 72 CYS HA . 11131 1 727 . 1 1 72 72 CYS HB2 H 1 2.460 0.030 . 2 . . . . 72 CYS HB2 . 11131 1 728 . 1 1 72 72 CYS HB3 H 1 2.973 0.030 . 2 . . . . 72 CYS HB3 . 11131 1 729 . 1 1 72 72 CYS C C 13 175.053 0.300 . 1 . . . . 72 CYS C . 11131 1 730 . 1 1 72 72 CYS CA C 13 62.641 0.300 . 1 . . . . 72 CYS CA . 11131 1 731 . 1 1 72 72 CYS CB C 13 26.456 0.300 . 1 . . . . 72 CYS CB . 11131 1 732 . 1 1 72 72 CYS N N 15 125.365 0.300 . 1 . . . . 72 CYS N . 11131 1 733 . 1 1 73 73 ASN H H 1 8.723 0.030 . 1 . . . . 73 ASN H . 11131 1 734 . 1 1 73 73 ASN HA H 1 3.921 0.030 . 1 . . . . 73 ASN HA . 11131 1 735 . 1 1 73 73 ASN HB2 H 1 2.122 0.030 . 2 . . . . 73 ASN HB2 . 11131 1 736 . 1 1 73 73 ASN HB3 H 1 2.057 0.030 . 2 . . . . 73 ASN HB3 . 11131 1 737 . 1 1 73 73 ASN HD21 H 1 6.982 0.030 . 2 . . . . 73 ASN HD21 . 11131 1 738 . 1 1 73 73 ASN HD22 H 1 6.492 0.030 . 2 . . . . 73 ASN HD22 . 11131 1 739 . 1 1 73 73 ASN C C 13 174.900 0.300 . 1 . . . . 73 ASN C . 11131 1 740 . 1 1 73 73 ASN CA C 13 54.905 0.300 . 1 . . . . 73 ASN CA . 11131 1 741 . 1 1 73 73 ASN CB C 13 37.053 0.300 . 1 . . . . 73 ASN CB . 11131 1 742 . 1 1 73 73 ASN N N 15 117.675 0.300 . 1 . . . . 73 ASN N . 11131 1 743 . 1 1 73 73 ASN ND2 N 15 114.158 0.300 . 1 . . . . 73 ASN ND2 . 11131 1 744 . 1 1 74 74 GLN H H 1 7.434 0.030 . 1 . . . . 74 GLN H . 11131 1 745 . 1 1 74 74 GLN HA H 1 3.837 0.030 . 1 . . . . 74 GLN HA . 11131 1 746 . 1 1 74 74 GLN HB2 H 1 2.067 0.030 . 1 . . . . 74 GLN HB2 . 11131 1 747 . 1 1 74 74 GLN HB3 H 1 2.067 0.030 . 1 . . . . 74 GLN HB3 . 11131 1 748 . 1 1 74 74 GLN HE21 H 1 7.362 0.030 . 2 . . . . 74 GLN HE21 . 11131 1 749 . 1 1 74 74 GLN HE22 H 1 6.742 0.030 . 2 . . . . 74 GLN HE22 . 11131 1 750 . 1 1 74 74 GLN HG2 H 1 2.268 0.030 . 2 . . . . 74 GLN HG2 . 11131 1 751 . 1 1 74 74 GLN HG3 H 1 2.325 0.030 . 2 . . . . 74 GLN HG3 . 11131 1 752 . 1 1 74 74 GLN C C 13 175.776 0.300 . 1 . . . . 74 GLN C . 11131 1 753 . 1 1 74 74 GLN CA C 13 56.320 0.300 . 1 . . . . 74 GLN CA . 11131 1 754 . 1 1 74 74 GLN CB C 13 26.019 0.300 . 1 . . . . 74 GLN CB . 11131 1 755 . 1 1 74 74 GLN CG C 13 31.400 0.300 . 1 . . . . 74 GLN CG . 11131 1 756 . 1 1 74 74 GLN N N 15 116.647 0.300 . 1 . . . . 74 GLN N . 11131 1 757 . 1 1 74 74 GLN NE2 N 15 111.698 0.300 . 1 . . . . 74 GLN NE2 . 11131 1 758 . 1 1 75 75 THR H H 1 7.641 0.030 . 1 . . . . 75 THR H . 11131 1 759 . 1 1 75 75 THR HA H 1 3.924 0.030 . 1 . . . . 75 THR HA . 11131 1 760 . 1 1 75 75 THR HB H 1 4.075 0.030 . 1 . . . . 75 THR HB . 11131 1 761 . 1 1 75 75 THR HG21 H 1 1.111 0.030 . 1 . . . . 75 THR HG2 . 11131 1 762 . 1 1 75 75 THR HG22 H 1 1.111 0.030 . 1 . . . . 75 THR HG2 . 11131 1 763 . 1 1 75 75 THR HG23 H 1 1.111 0.030 . 1 . . . . 75 THR HG2 . 11131 1 764 . 1 1 75 75 THR C C 13 174.023 0.300 . 1 . . . . 75 THR C . 11131 1 765 . 1 1 75 75 THR CA C 13 62.924 0.300 . 1 . . . . 75 THR CA . 11131 1 766 . 1 1 75 75 THR CB C 13 66.726 0.300 . 1 . . . . 75 THR CB . 11131 1 767 . 1 1 75 75 THR CG2 C 13 19.452 0.300 . 1 . . . . 75 THR CG2 . 11131 1 768 . 1 1 75 75 THR N N 15 114.072 0.300 . 1 . . . . 75 THR N . 11131 1 769 . 1 1 76 76 LEU H H 1 8.226 0.030 . 1 . . . . 76 LEU H . 11131 1 770 . 1 1 76 76 LEU HA H 1 4.082 0.030 . 1 . . . . 76 LEU HA . 11131 1 771 . 1 1 76 76 LEU HB2 H 1 1.577 0.030 . 2 . . . . 76 LEU HB2 . 11131 1 772 . 1 1 76 76 LEU HB3 H 1 1.351 0.030 . 2 . . . . 76 LEU HB3 . 11131 1 773 . 1 1 76 76 LEU HD11 H 1 0.621 0.030 . 1 . . . . 76 LEU HD1 . 11131 1 774 . 1 1 76 76 LEU HD12 H 1 0.621 0.030 . 1 . . . . 76 LEU HD1 . 11131 1 775 . 1 1 76 76 LEU HD13 H 1 0.621 0.030 . 1 . . . . 76 LEU HD1 . 11131 1 776 . 1 1 76 76 LEU HD21 H 1 0.679 0.030 . 1 . . . . 76 LEU HD2 . 11131 1 777 . 1 1 76 76 LEU HD22 H 1 0.679 0.030 . 1 . . . . 76 LEU HD2 . 11131 1 778 . 1 1 76 76 LEU HD23 H 1 0.679 0.030 . 1 . . . . 76 LEU HD2 . 11131 1 779 . 1 1 76 76 LEU HG H 1 1.629 0.030 . 1 . . . . 76 LEU HG . 11131 1 780 . 1 1 76 76 LEU C C 13 176.072 0.300 . 1 . . . . 76 LEU C . 11131 1 781 . 1 1 76 76 LEU CA C 13 54.251 0.300 . 1 . . . . 76 LEU CA . 11131 1 782 . 1 1 76 76 LEU CB C 13 39.859 0.300 . 1 . . . . 76 LEU CB . 11131 1 783 . 1 1 76 76 LEU CD1 C 13 23.625 0.300 . 2 . . . . 76 LEU CD1 . 11131 1 784 . 1 1 76 76 LEU CD2 C 13 19.910 0.300 . 2 . . . . 76 LEU CD2 . 11131 1 785 . 1 1 76 76 LEU CG C 13 24.692 0.300 . 1 . . . . 76 LEU CG . 11131 1 786 . 1 1 76 76 LEU N N 15 120.650 0.300 . 1 . . . . 76 LEU N . 11131 1 787 . 1 1 77 77 SER H H 1 7.709 0.030 . 1 . . . . 77 SER H . 11131 1 788 . 1 1 77 77 SER HA H 1 4.249 0.030 . 1 . . . . 77 SER HA . 11131 1 789 . 1 1 77 77 SER HB2 H 1 3.803 0.030 . 1 . . . . 77 SER HB2 . 11131 1 790 . 1 1 77 77 SER HB3 H 1 3.803 0.030 . 1 . . . . 77 SER HB3 . 11131 1 791 . 1 1 77 77 SER C C 13 172.276 0.300 . 1 . . . . 77 SER C . 11131 1 792 . 1 1 77 77 SER CA C 13 57.071 0.300 . 1 . . . . 77 SER CA . 11131 1 793 . 1 1 77 77 SER CB C 13 61.215 0.300 . 1 . . . . 77 SER CB . 11131 1 794 . 1 1 77 77 SER N N 15 113.626 0.300 . 1 . . . . 77 SER N . 11131 1 795 . 1 1 78 78 LYS H H 1 7.644 0.030 . 1 . . . . 78 LYS H . 11131 1 796 . 1 1 78 78 LYS HA H 1 4.249 0.030 . 1 . . . . 78 LYS HA . 11131 1 797 . 1 1 78 78 LYS HB2 H 1 1.720 0.030 . 2 . . . . 78 LYS HB2 . 11131 1 798 . 1 1 78 78 LYS HB3 H 1 1.811 0.030 . 2 . . . . 78 LYS HB3 . 11131 1 799 . 1 1 78 78 LYS HD2 H 1 1.573 0.030 . 1 . . . . 78 LYS HD2 . 11131 1 800 . 1 1 78 78 LYS HD3 H 1 1.573 0.030 . 1 . . . . 78 LYS HD3 . 11131 1 801 . 1 1 78 78 LYS HE2 H 1 2.882 0.030 . 1 . . . . 78 LYS HE2 . 11131 1 802 . 1 1 78 78 LYS HE3 H 1 2.882 0.030 . 1 . . . . 78 LYS HE3 . 11131 1 803 . 1 1 78 78 LYS HG2 H 1 1.383 0.030 . 2 . . . . 78 LYS HG2 . 11131 1 804 . 1 1 78 78 LYS HG3 H 1 1.325 0.030 . 2 . . . . 78 LYS HG3 . 11131 1 805 . 1 1 78 78 LYS C C 13 174.239 0.300 . 1 . . . . 78 LYS C . 11131 1 806 . 1 1 78 78 LYS CA C 13 54.145 0.300 . 1 . . . . 78 LYS CA . 11131 1 807 . 1 1 78 78 LYS CB C 13 30.234 0.300 . 1 . . . . 78 LYS CB . 11131 1 808 . 1 1 78 78 LYS CD C 13 26.676 0.300 . 1 . . . . 78 LYS CD . 11131 1 809 . 1 1 78 78 LYS CE C 13 39.852 0.300 . 1 . . . . 78 LYS CE . 11131 1 810 . 1 1 78 78 LYS CG C 13 22.278 0.300 . 1 . . . . 78 LYS CG . 11131 1 811 . 1 1 78 78 LYS N N 15 121.356 0.300 . 1 . . . . 78 LYS N . 11131 1 812 . 1 1 79 79 SER H H 1 8.037 0.030 . 1 . . . . 79 SER H . 11131 1 813 . 1 1 79 79 SER HA H 1 4.395 0.030 . 1 . . . . 79 SER HA . 11131 1 814 . 1 1 79 79 SER HB2 H 1 3.778 0.030 . 1 . . . . 79 SER HB2 . 11131 1 815 . 1 1 79 79 SER HB3 H 1 3.778 0.030 . 1 . . . . 79 SER HB3 . 11131 1 816 . 1 1 79 79 SER C C 13 172.221 0.300 . 1 . . . . 79 SER C . 11131 1 817 . 1 1 79 79 SER CA C 13 56.084 0.300 . 1 . . . . 79 SER CA . 11131 1 818 . 1 1 79 79 SER CB C 13 61.528 0.300 . 1 . . . . 79 SER CB . 11131 1 819 . 1 1 79 79 SER N N 15 115.559 0.300 . 1 . . . . 79 SER N . 11131 1 820 . 1 1 80 80 GLY H H 1 8.107 0.030 . 1 . . . . 80 GLY H . 11131 1 821 . 1 1 80 80 GLY HA2 H 1 4.061 0.030 . 2 . . . . 80 GLY HA2 . 11131 1 822 . 1 1 80 80 GLY HA3 H 1 3.980 0.030 . 2 . . . . 80 GLY HA3 . 11131 1 823 . 1 1 80 80 GLY C C 13 169.462 0.300 . 1 . . . . 80 GLY C . 11131 1 824 . 1 1 80 80 GLY CA C 13 42.342 0.300 . 1 . . . . 80 GLY CA . 11131 1 825 . 1 1 80 80 GLY N N 15 110.215 0.300 . 1 . . . . 80 GLY N . 11131 1 826 . 1 1 81 81 PRO HA H 1 4.374 0.030 . 1 . . . . 81 PRO HA . 11131 1 827 . 1 1 81 81 PRO HB2 H 1 2.184 0.030 . 2 . . . . 81 PRO HB2 . 11131 1 828 . 1 1 81 81 PRO HB3 H 1 1.864 0.030 . 2 . . . . 81 PRO HB3 . 11131 1 829 . 1 1 81 81 PRO HD2 H 1 3.521 0.030 . 1 . . . . 81 PRO HD2 . 11131 1 830 . 1 1 81 81 PRO HD3 H 1 3.521 0.030 . 1 . . . . 81 PRO HD3 . 11131 1 831 . 1 1 81 81 PRO HG2 H 1 1.895 0.030 . 1 . . . . 81 PRO HG2 . 11131 1 832 . 1 1 81 81 PRO HG3 H 1 1.895 0.030 . 1 . . . . 81 PRO HG3 . 11131 1 833 . 1 1 81 81 PRO C C 13 175.069 0.300 . 1 . . . . 81 PRO C . 11131 1 834 . 1 1 81 81 PRO CA C 13 60.832 0.300 . 1 . . . . 81 PRO CA . 11131 1 835 . 1 1 81 81 PRO CB C 13 29.725 0.300 . 1 . . . . 81 PRO CB . 11131 1 836 . 1 1 81 81 PRO CD C 13 47.604 0.300 . 1 . . . . 81 PRO CD . 11131 1 837 . 1 1 81 81 PRO CG C 13 24.864 0.300 . 1 . . . . 81 PRO CG . 11131 1 838 . 1 1 82 82 SER H H 1 8.429 0.030 . 1 . . . . 82 SER H . 11131 1 839 . 1 1 82 82 SER C C 13 172.278 0.300 . 1 . . . . 82 SER C . 11131 1 840 . 1 1 82 82 SER CA C 13 55.943 0.300 . 1 . . . . 82 SER CA . 11131 1 841 . 1 1 82 82 SER CB C 13 61.610 0.300 . 1 . . . . 82 SER CB . 11131 1 842 . 1 1 82 82 SER N N 15 116.016 0.300 . 1 . . . . 82 SER N . 11131 1 843 . 1 1 83 83 SER HA H 1 4.378 0.030 . 1 . . . . 83 SER HA . 11131 1 844 . 1 1 83 83 SER HB2 H 1 3.779 0.030 . 1 . . . . 83 SER HB2 . 11131 1 845 . 1 1 83 83 SER HB3 H 1 3.779 0.030 . 1 . . . . 83 SER HB3 . 11131 1 846 . 1 1 83 83 SER C C 13 171.591 0.300 . 1 . . . . 83 SER C . 11131 1 847 . 1 1 83 83 SER CA C 13 56.049 0.300 . 1 . . . . 83 SER CA . 11131 1 848 . 1 1 83 83 SER CB C 13 61.692 0.300 . 1 . . . . 83 SER CB . 11131 1 849 . 1 1 84 84 GLY H H 1 7.955 0.030 . 1 . . . . 84 GLY H . 11131 1 850 . 1 1 84 84 GLY HA2 H 1 3.645 0.030 . 2 . . . . 84 GLY HA2 . 11131 1 851 . 1 1 84 84 GLY HA3 H 1 3.684 0.030 . 2 . . . . 84 GLY HA3 . 11131 1 852 . 1 1 84 84 GLY C C 13 176.599 0.300 . 1 . . . . 84 GLY C . 11131 1 853 . 1 1 84 84 GLY CA C 13 43.839 0.300 . 1 . . . . 84 GLY CA . 11131 1 854 . 1 1 84 84 GLY N N 15 116.467 0.300 . 1 . . . . 84 GLY N . 11131 1 stop_ save_