data_11306 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11306 _Entry.Title ; Solution Structure of the Ring-H2 Finger Domain of Mouse Deltex Protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 11306 2 Y. Muto . . . 11306 3 N. Tochio . . . 11306 4 S. Koshiba . . . 11306 5 M. Inoue . . . 11306 6 T. Kigawa . . . 11306 7 S. Yokoyama . . . 11306 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)' . 11306 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11306 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 465 11306 '15N chemical shifts' 107 11306 '1H chemical shifts' 733 11306 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11306 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V87 'BMRB Entry Tracking System' 11306 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11306 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the Ring-H2 Finger Domain of Mouse Deltex Protein 2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11306 1 2 Y. Muto . . . 11306 1 3 N. Tochio . . . 11306 1 4 S. Koshiba . . . 11306 1 5 M. Inoue . . . 11306 1 6 T. Kigawa . . . 11306 1 7 S. Yokoyama . . . 11306 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11306 _Assembly.ID 1 _Assembly.Name 'Deltex protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ring-H2 Finger Domain' 1 $entity_1 A . yes native no no . . . 11306 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11306 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11306 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'Ring-H2 Finger Domain' 1 CYS 28 28 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11306 1 2 coordination single . 1 'Ring-H2 Finger Domain' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11306 1 3 coordination single . 1 'Ring-H2 Finger Domain' 1 HIS 66 66 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 66 HIS ND1 . . . . ZN 11306 1 4 coordination single . 1 'Ring-H2 Finger Domain' 1 CYS 69 69 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 69 CYS SG . . . . ZN 11306 1 5 coordination single . 1 'Ring-H2 Finger Domain' 1 CYS 61 61 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 61 CYS SG . . . . ZN 11306 1 6 coordination single . 1 'Ring-H2 Finger Domain' 1 HIS 63 63 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 63 HIS ND1 . . . . ZN 11306 1 7 coordination single . 1 'Ring-H2 Finger Domain' 1 CYS 85 85 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 85 CYS SG . . . . ZN 11306 1 8 coordination single . 1 'Ring-H2 Finger Domain' 1 CYS 88 88 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 88 CYS SG . . . . ZN 11306 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 85 85 HG . 85 CYS HG 11306 1 . . 1 1 CYS 88 88 HG . 88 CYS HG 11306 1 . . 1 1 CYS 61 61 HG . 61 CYS HG 11306 1 . . 1 1 HIS 63 63 HD1 . 63 HIS HD1 11306 1 . . 1 1 HIS 66 66 HD1 . 66 HIS HD1 11306 1 . . 1 1 CYS 69 69 HG . 69 CYS HG 11306 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 11306 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 11306 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 1v87 . . . . . . 11306 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11306 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ring-H2 Finger Domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEPEQVIRKYTEEL KVAPEEDCIICMEKLAVASG YSDMTDSKALGPMVVGRLTK CSHAFHLLCLLAMYCNGNKD GSLQCPSCKTIYGEKTGTQP WGKMEVFRSGPSSG ; _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 114 _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 1V87 . "Solution Structure Of The Ring-H2 Finger Domain Of Mouse Deltex Protein 2" . . . . . 100.00 114 100.00 100.00 4.69e-77 . . . . 11306 1 2 no DBJ BAB18940 . "Deltex2 [Mus musculus]" . . . . . 88.60 618 100.00 100.00 1.40e-64 . . . . 11306 1 3 no DBJ BAB18941 . "Deltex2deltaE [Mus musculus]" . . . . . 88.60 573 100.00 100.00 9.95e-65 . . . . 11306 1 4 no DBJ BAB28055 . "unnamed protein product [Mus musculus]" . . . . . 88.60 619 100.00 100.00 1.37e-64 . . . . 11306 1 5 no DBJ BAC31780 . "unnamed protein product [Mus musculus]" . . . . . 88.60 573 100.00 100.00 9.95e-65 . . . . 11306 1 6 no DBJ BAC35781 . "unnamed protein product [Mus musculus]" . . . . . 88.60 573 100.00 100.00 9.95e-65 . . . . 11306 1 7 no GB AAI66738 . "Dtx2 protein [Rattus norvegicus]" . . . . . 88.60 619 98.02 100.00 2.05e-63 . . . . 11306 1 8 no GB EDL19332 . "deltex 2 homolog (Drosophila), isoform CRA_a [Mus musculus]" . . . . . 88.60 573 100.00 100.00 9.95e-65 . . . . 11306 1 9 no GB EDL19333 . "deltex 2 homolog (Drosophila), isoform CRA_b [Mus musculus]" . . . . . 88.60 618 100.00 100.00 1.40e-64 . . . . 11306 1 10 no GB EDL19334 . "deltex 2 homolog (Drosophila), isoform CRA_c, partial [Mus musculus]" . . . . . 88.60 626 100.00 100.00 1.38e-64 . . . . 11306 1 11 no GB EDL19335 . "deltex 2 homolog (Drosophila), isoform CRA_d, partial [Mus musculus]" . . . . . 88.60 580 100.00 100.00 9.34e-65 . . . . 11306 1 12 no REF NP_001100627 . "probable E3 ubiquitin-protein ligase DTX2 [Rattus norvegicus]" . . . . . 88.60 619 98.02 100.00 2.16e-63 . . . . 11306 1 13 no REF NP_001243025 . "probable E3 ubiquitin-protein ligase DTX2 isoform 1 [Mus musculus]" . . . . . 88.60 619 100.00 100.00 1.37e-64 . . . . 11306 1 14 no REF NP_001243026 . "probable E3 ubiquitin-protein ligase DTX2 isoform 3 [Mus musculus]" . . . . . 88.60 573 100.00 100.00 9.95e-65 . . . . 11306 1 15 no REF NP_001243027 . "probable E3 ubiquitin-protein ligase DTX2 isoform 3 [Mus musculus]" . . . . . 88.60 573 100.00 100.00 9.95e-65 . . . . 11306 1 16 no REF NP_076231 . "probable E3 ubiquitin-protein ligase DTX2 isoform 2 [Mus musculus]" . . . . . 88.60 618 100.00 100.00 1.40e-64 . . . . 11306 1 17 no SP Q8R3P2 . "RecName: Full=Probable E3 ubiquitin-protein ligase DTX2; AltName: Full=Protein deltex-2; Short=Deltex2; Short=mDTX2" . . . . . 88.60 619 100.00 100.00 1.37e-64 . . . . 11306 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ring-H2 Finger Domain' . 11306 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 . 11306 1 2 . SER . 11306 1 3 . SER . 11306 1 4 . GLY . 11306 1 5 . SER . 11306 1 6 . SER . 11306 1 7 . GLY . 11306 1 8 . GLU . 11306 1 9 . PRO . 11306 1 10 . GLU . 11306 1 11 . GLN . 11306 1 12 . VAL . 11306 1 13 . ILE . 11306 1 14 . ARG . 11306 1 15 . LYS . 11306 1 16 . TYR . 11306 1 17 . THR . 11306 1 18 . GLU . 11306 1 19 . GLU . 11306 1 20 . LEU . 11306 1 21 . LYS . 11306 1 22 . VAL . 11306 1 23 . ALA . 11306 1 24 . PRO . 11306 1 25 . GLU . 11306 1 26 . GLU . 11306 1 27 . ASP . 11306 1 28 . CYS . 11306 1 29 . ILE . 11306 1 30 . ILE . 11306 1 31 . CYS . 11306 1 32 . MET . 11306 1 33 . GLU . 11306 1 34 . LYS . 11306 1 35 . LEU . 11306 1 36 . ALA . 11306 1 37 . VAL . 11306 1 38 . ALA . 11306 1 39 . SER . 11306 1 40 . GLY . 11306 1 41 . TYR . 11306 1 42 . SER . 11306 1 43 . ASP . 11306 1 44 . MET . 11306 1 45 . THR . 11306 1 46 . ASP . 11306 1 47 . SER . 11306 1 48 . LYS . 11306 1 49 . ALA . 11306 1 50 . LEU . 11306 1 51 . GLY . 11306 1 52 . PRO . 11306 1 53 . MET . 11306 1 54 . VAL . 11306 1 55 . VAL . 11306 1 56 . GLY . 11306 1 57 . ARG . 11306 1 58 . LEU . 11306 1 59 . THR . 11306 1 60 . LYS . 11306 1 61 . CYS . 11306 1 62 . SER . 11306 1 63 . HIS . 11306 1 64 . ALA . 11306 1 65 . PHE . 11306 1 66 . HIS . 11306 1 67 . LEU . 11306 1 68 . LEU . 11306 1 69 . CYS . 11306 1 70 . LEU . 11306 1 71 . LEU . 11306 1 72 . ALA . 11306 1 73 . MET . 11306 1 74 . TYR . 11306 1 75 . CYS . 11306 1 76 . ASN . 11306 1 77 . GLY . 11306 1 78 . ASN . 11306 1 79 . LYS . 11306 1 80 . ASP . 11306 1 81 . GLY . 11306 1 82 . SER . 11306 1 83 . LEU . 11306 1 84 . GLN . 11306 1 85 . CYS . 11306 1 86 . PRO . 11306 1 87 . SER . 11306 1 88 . CYS . 11306 1 89 . LYS . 11306 1 90 . THR . 11306 1 91 . ILE . 11306 1 92 . TYR . 11306 1 93 . GLY . 11306 1 94 . GLU . 11306 1 95 . LYS . 11306 1 96 . THR . 11306 1 97 . GLY . 11306 1 98 . THR . 11306 1 99 . GLN . 11306 1 100 . PRO . 11306 1 101 . TRP . 11306 1 102 . GLY . 11306 1 103 . LYS . 11306 1 104 . MET . 11306 1 105 . GLU . 11306 1 106 . VAL . 11306 1 107 . PHE . 11306 1 108 . ARG . 11306 1 109 . SER . 11306 1 110 . GLY . 11306 1 111 . PRO . 11306 1 112 . SER . 11306 1 113 . SER . 11306 1 114 . GLY . 11306 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 11306 1 . SER 2 2 11306 1 . SER 3 3 11306 1 . GLY 4 4 11306 1 . SER 5 5 11306 1 . SER 6 6 11306 1 . GLY 7 7 11306 1 . GLU 8 8 11306 1 . PRO 9 9 11306 1 . GLU 10 10 11306 1 . GLN 11 11 11306 1 . VAL 12 12 11306 1 . ILE 13 13 11306 1 . ARG 14 14 11306 1 . LYS 15 15 11306 1 . TYR 16 16 11306 1 . THR 17 17 11306 1 . GLU 18 18 11306 1 . GLU 19 19 11306 1 . LEU 20 20 11306 1 . LYS 21 21 11306 1 . VAL 22 22 11306 1 . ALA 23 23 11306 1 . PRO 24 24 11306 1 . GLU 25 25 11306 1 . GLU 26 26 11306 1 . ASP 27 27 11306 1 . CYS 28 28 11306 1 . ILE 29 29 11306 1 . ILE 30 30 11306 1 . CYS 31 31 11306 1 . MET 32 32 11306 1 . GLU 33 33 11306 1 . LYS 34 34 11306 1 . LEU 35 35 11306 1 . ALA 36 36 11306 1 . VAL 37 37 11306 1 . ALA 38 38 11306 1 . SER 39 39 11306 1 . GLY 40 40 11306 1 . TYR 41 41 11306 1 . SER 42 42 11306 1 . ASP 43 43 11306 1 . MET 44 44 11306 1 . THR 45 45 11306 1 . ASP 46 46 11306 1 . SER 47 47 11306 1 . LYS 48 48 11306 1 . ALA 49 49 11306 1 . LEU 50 50 11306 1 . GLY 51 51 11306 1 . PRO 52 52 11306 1 . MET 53 53 11306 1 . VAL 54 54 11306 1 . VAL 55 55 11306 1 . GLY 56 56 11306 1 . ARG 57 57 11306 1 . LEU 58 58 11306 1 . THR 59 59 11306 1 . LYS 60 60 11306 1 . CYS 61 61 11306 1 . SER 62 62 11306 1 . HIS 63 63 11306 1 . ALA 64 64 11306 1 . PHE 65 65 11306 1 . HIS 66 66 11306 1 . LEU 67 67 11306 1 . LEU 68 68 11306 1 . CYS 69 69 11306 1 . LEU 70 70 11306 1 . LEU 71 71 11306 1 . ALA 72 72 11306 1 . MET 73 73 11306 1 . TYR 74 74 11306 1 . CYS 75 75 11306 1 . ASN 76 76 11306 1 . GLY 77 77 11306 1 . ASN 78 78 11306 1 . LYS 79 79 11306 1 . ASP 80 80 11306 1 . GLY 81 81 11306 1 . SER 82 82 11306 1 . LEU 83 83 11306 1 . GLN 84 84 11306 1 . CYS 85 85 11306 1 . PRO 86 86 11306 1 . SER 87 87 11306 1 . CYS 88 88 11306 1 . LYS 89 89 11306 1 . THR 90 90 11306 1 . ILE 91 91 11306 1 . TYR 92 92 11306 1 . GLY 93 93 11306 1 . GLU 94 94 11306 1 . LYS 95 95 11306 1 . THR 96 96 11306 1 . GLY 97 97 11306 1 . THR 98 98 11306 1 . GLN 99 99 11306 1 . PRO 100 100 11306 1 . TRP 101 101 11306 1 . GLY 102 102 11306 1 . LYS 103 103 11306 1 . MET 104 104 11306 1 . GLU 105 105 11306 1 . VAL 106 106 11306 1 . PHE 107 107 11306 1 . ARG 108 108 11306 1 . SER 109 109 11306 1 . GLY 110 110 11306 1 . PRO 111 111 11306 1 . SER 112 112 11306 1 . SER 113 113 11306 1 . GLY 114 114 11306 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11306 _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 . 11306 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 11306 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11306 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 11306 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P030421-37 . . . . . . 11306 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 11306 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11306 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11306 ZN [Zn++] SMILES CACTVS 3.341 11306 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11306 ZN [Zn+2] SMILES ACDLabs 10.04 11306 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11306 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11306 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 11306 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11306 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11306 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11306 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.05mM Ring-H2 Domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.1mM {ZnCl;} 90% H2O, 10%D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ring-H2 Domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.05 . . mM . . . . 11306 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11306 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11306 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11306 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11306 1 6 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11306 1 7 H2O . . . . . . solvent 90 . . % . . . . 11306 1 8 D2O . . . . . . solvent 10 . . % . . . . 11306 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 11306 _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 11306 1 pH 7.0 0.05 pH 11306 1 pressure 1 0.001 atm 11306 1 temperature 298 0.1 K 11306 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11306 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11306 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11306 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11306 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11306 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11306 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11306 _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.' . . 11306 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11306 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11306 _Software.ID 4 _Software.Name Kujira _Software.Version 0.880 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11306 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11306 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11306 _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.' . . 11306 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11306 5 'structure solution' 11306 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 11306 _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 11306 _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 . . . 11306 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 11306 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11306 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11306 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 11306 _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 . . . . . . . . . 11306 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11306 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11306 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 11306 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11306 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11306 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 . . 11306 1 2 $NMRPipe . . 11306 1 3 $NMRView . . 11306 1 4 $Kujira . . 11306 1 5 $CYANA . . 11306 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.522 0.030 . 1 . . . . 6 SER HA . 11306 1 2 . 1 1 6 6 SER HB2 H 1 3.986 0.030 . 1 . . . . 6 SER HB2 . 11306 1 3 . 1 1 6 6 SER HB3 H 1 3.986 0.030 . 1 . . . . 6 SER HB3 . 11306 1 4 . 1 1 6 6 SER C C 13 177.196 0.300 . 1 . . . . 6 SER C . 11306 1 5 . 1 1 6 6 SER CA C 13 61.236 0.300 . 1 . . . . 6 SER CA . 11306 1 6 . 1 1 6 6 SER CB C 13 66.187 0.300 . 1 . . . . 6 SER CB . 11306 1 7 . 1 1 7 7 GLY H H 1 8.431 0.030 . 1 . . . . 7 GLY H . 11306 1 8 . 1 1 7 7 GLY HA2 H 1 4.017 0.030 . 2 . . . . 7 GLY HA2 . 11306 1 9 . 1 1 7 7 GLY HA3 H 1 4.073 0.030 . 2 . . . . 7 GLY HA3 . 11306 1 10 . 1 1 7 7 GLY C C 13 176.304 0.300 . 1 . . . . 7 GLY C . 11306 1 11 . 1 1 7 7 GLY CA C 13 47.350 0.300 . 1 . . . . 7 GLY CA . 11306 1 12 . 1 1 7 7 GLY N N 15 110.413 0.300 . 1 . . . . 7 GLY N . 11306 1 13 . 1 1 8 8 GLU H H 1 8.409 0.030 . 1 . . . . 8 GLU H . 11306 1 14 . 1 1 8 8 GLU HA H 1 4.584 0.030 . 1 . . . . 8 GLU HA . 11306 1 15 . 1 1 8 8 GLU HB2 H 1 2.279 0.030 . 2 . . . . 8 GLU HB2 . 11306 1 16 . 1 1 8 8 GLU HB3 H 1 2.015 0.030 . 2 . . . . 8 GLU HB3 . 11306 1 17 . 1 1 8 8 GLU HG2 H 1 2.407 0.030 . 2 . . . . 8 GLU HG2 . 11306 1 18 . 1 1 8 8 GLU HG3 H 1 2.460 0.030 . 2 . . . . 8 GLU HG3 . 11306 1 19 . 1 1 8 8 GLU C C 13 176.998 0.300 . 1 . . . . 8 GLU C . 11306 1 20 . 1 1 8 8 GLU CA C 13 58.475 0.300 . 1 . . . . 8 GLU CA . 11306 1 21 . 1 1 8 8 GLU CB C 13 31.210 0.300 . 1 . . . . 8 GLU CB . 11306 1 22 . 1 1 8 8 GLU CG C 13 38.605 0.300 . 1 . . . . 8 GLU CG . 11306 1 23 . 1 1 8 8 GLU N N 15 122.213 0.300 . 1 . . . . 8 GLU N . 11306 1 24 . 1 1 9 9 PRO HA H 1 4.102 0.030 . 1 . . . . 9 PRO HA . 11306 1 25 . 1 1 9 9 PRO HB2 H 1 2.040 0.030 . 2 . . . . 9 PRO HB2 . 11306 1 26 . 1 1 9 9 PRO HB3 H 1 2.393 0.030 . 2 . . . . 9 PRO HB3 . 11306 1 27 . 1 1 9 9 PRO HD2 H 1 3.977 0.030 . 2 . . . . 9 PRO HD2 . 11306 1 28 . 1 1 9 9 PRO HD3 H 1 4.070 0.030 . 2 . . . . 9 PRO HD3 . 11306 1 29 . 1 1 9 9 PRO HG2 H 1 2.201 0.030 . 2 . . . . 9 PRO HG2 . 11306 1 30 . 1 1 9 9 PRO HG3 H 1 2.412 0.030 . 2 . . . . 9 PRO HG3 . 11306 1 31 . 1 1 9 9 PRO C C 13 179.727 0.300 . 1 . . . . 9 PRO C . 11306 1 32 . 1 1 9 9 PRO CA C 13 68.708 0.300 . 1 . . . . 9 PRO CA . 11306 1 33 . 1 1 9 9 PRO CB C 13 34.915 0.300 . 1 . . . . 9 PRO CB . 11306 1 34 . 1 1 9 9 PRO CD C 13 52.674 0.300 . 1 . . . . 9 PRO CD . 11306 1 35 . 1 1 9 9 PRO CG C 13 30.342 0.300 . 1 . . . . 9 PRO CG . 11306 1 36 . 1 1 10 10 GLU H H 1 9.327 0.030 . 1 . . . . 10 GLU H . 11306 1 37 . 1 1 10 10 GLU HA H 1 3.688 0.030 . 1 . . . . 10 GLU HA . 11306 1 38 . 1 1 10 10 GLU HB2 H 1 1.928 0.030 . 2 . . . . 10 GLU HB2 . 11306 1 39 . 1 1 10 10 GLU HB3 H 1 2.081 0.030 . 2 . . . . 10 GLU HB3 . 11306 1 40 . 1 1 10 10 GLU HG2 H 1 2.319 0.030 . 1 . . . . 10 GLU HG2 . 11306 1 41 . 1 1 10 10 GLU HG3 H 1 2.319 0.030 . 1 . . . . 10 GLU HG3 . 11306 1 42 . 1 1 10 10 GLU C C 13 180.251 0.300 . 1 . . . . 10 GLU C . 11306 1 43 . 1 1 10 10 GLU CA C 13 63.129 0.300 . 1 . . . . 10 GLU CA . 11306 1 44 . 1 1 10 10 GLU CB C 13 31.026 0.300 . 1 . . . . 10 GLU CB . 11306 1 45 . 1 1 10 10 GLU CG C 13 39.645 0.300 . 1 . . . . 10 GLU CG . 11306 1 46 . 1 1 10 10 GLU N N 15 116.183 0.300 . 1 . . . . 10 GLU N . 11306 1 47 . 1 1 11 11 GLN H H 1 7.505 0.030 . 1 . . . . 11 GLN H . 11306 1 48 . 1 1 11 11 GLN HA H 1 3.990 0.030 . 1 . . . . 11 GLN HA . 11306 1 49 . 1 1 11 11 GLN HB2 H 1 2.172 0.030 . 2 . . . . 11 GLN HB2 . 11306 1 50 . 1 1 11 11 GLN HB3 H 1 2.286 0.030 . 2 . . . . 11 GLN HB3 . 11306 1 51 . 1 1 11 11 GLN HE21 H 1 7.594 0.030 . 2 . . . . 11 GLN HE21 . 11306 1 52 . 1 1 11 11 GLN HE22 H 1 6.914 0.030 . 2 . . . . 11 GLN HE22 . 11306 1 53 . 1 1 11 11 GLN HG2 H 1 2.427 0.030 . 2 . . . . 11 GLN HG2 . 11306 1 54 . 1 1 11 11 GLN HG3 H 1 2.531 0.030 . 2 . . . . 11 GLN HG3 . 11306 1 55 . 1 1 11 11 GLN C C 13 181.308 0.300 . 1 . . . . 11 GLN C . 11306 1 56 . 1 1 11 11 GLN CA C 13 60.671 0.300 . 1 . . . . 11 GLN CA . 11306 1 57 . 1 1 11 11 GLN CB C 13 30.449 0.300 . 1 . . . . 11 GLN CB . 11306 1 58 . 1 1 11 11 GLN CG C 13 36.430 0.300 . 1 . . . . 11 GLN CG . 11306 1 59 . 1 1 11 11 GLN N N 15 116.609 0.300 . 1 . . . . 11 GLN N . 11306 1 60 . 1 1 11 11 GLN NE2 N 15 112.639 0.300 . 1 . . . . 11 GLN NE2 . 11306 1 61 . 1 1 12 12 VAL H H 1 7.595 0.030 . 1 . . . . 12 VAL H . 11306 1 62 . 1 1 12 12 VAL HA H 1 3.279 0.030 . 1 . . . . 12 VAL HA . 11306 1 63 . 1 1 12 12 VAL HB H 1 1.752 0.030 . 1 . . . . 12 VAL HB . 11306 1 64 . 1 1 12 12 VAL HG11 H 1 0.914 0.030 . 1 . . . . 12 VAL HG1 . 11306 1 65 . 1 1 12 12 VAL HG12 H 1 0.914 0.030 . 1 . . . . 12 VAL HG1 . 11306 1 66 . 1 1 12 12 VAL HG13 H 1 0.914 0.030 . 1 . . . . 12 VAL HG1 . 11306 1 67 . 1 1 12 12 VAL HG21 H 1 0.583 0.030 . 1 . . . . 12 VAL HG2 . 11306 1 68 . 1 1 12 12 VAL HG22 H 1 0.583 0.030 . 1 . . . . 12 VAL HG2 . 11306 1 69 . 1 1 12 12 VAL HG23 H 1 0.583 0.030 . 1 . . . . 12 VAL HG2 . 11306 1 70 . 1 1 12 12 VAL C C 13 178.784 0.300 . 1 . . . . 12 VAL C . 11306 1 71 . 1 1 12 12 VAL CA C 13 68.925 0.300 . 1 . . . . 12 VAL CA . 11306 1 72 . 1 1 12 12 VAL CB C 13 33.502 0.300 . 1 . . . . 12 VAL CB . 11306 1 73 . 1 1 12 12 VAL CG1 C 13 24.476 0.300 . 2 . . . . 12 VAL CG1 . 11306 1 74 . 1 1 12 12 VAL CG2 C 13 23.175 0.300 . 2 . . . . 12 VAL CG2 . 11306 1 75 . 1 1 12 12 VAL N N 15 122.188 0.300 . 1 . . . . 12 VAL N . 11306 1 76 . 1 1 13 13 ILE H H 1 7.228 0.030 . 1 . . . . 13 ILE H . 11306 1 77 . 1 1 13 13 ILE HA H 1 3.457 0.030 . 1 . . . . 13 ILE HA . 11306 1 78 . 1 1 13 13 ILE HB H 1 2.003 0.030 . 1 . . . . 13 ILE HB . 11306 1 79 . 1 1 13 13 ILE HD11 H 1 0.552 0.030 . 1 . . . . 13 ILE HD1 . 11306 1 80 . 1 1 13 13 ILE HD12 H 1 0.552 0.030 . 1 . . . . 13 ILE HD1 . 11306 1 81 . 1 1 13 13 ILE HD13 H 1 0.552 0.030 . 1 . . . . 13 ILE HD1 . 11306 1 82 . 1 1 13 13 ILE HG12 H 1 1.695 0.030 . 2 . . . . 13 ILE HG12 . 11306 1 83 . 1 1 13 13 ILE HG13 H 1 1.025 0.030 . 2 . . . . 13 ILE HG13 . 11306 1 84 . 1 1 13 13 ILE HG21 H 1 0.867 0.030 . 1 . . . . 13 ILE HG2 . 11306 1 85 . 1 1 13 13 ILE HG22 H 1 0.867 0.030 . 1 . . . . 13 ILE HG2 . 11306 1 86 . 1 1 13 13 ILE HG23 H 1 0.867 0.030 . 1 . . . . 13 ILE HG2 . 11306 1 87 . 1 1 13 13 ILE C C 13 182.121 0.300 . 1 . . . . 13 ILE C . 11306 1 88 . 1 1 13 13 ILE CA C 13 65.367 0.300 . 1 . . . . 13 ILE CA . 11306 1 89 . 1 1 13 13 ILE CB C 13 37.960 0.300 . 1 . . . . 13 ILE CB . 11306 1 90 . 1 1 13 13 ILE CD1 C 13 12.917 0.300 . 1 . . . . 13 ILE CD1 . 11306 1 91 . 1 1 13 13 ILE CG1 C 13 31.939 0.300 . 1 . . . . 13 ILE CG1 . 11306 1 92 . 1 1 13 13 ILE CG2 C 13 22.224 0.300 . 1 . . . . 13 ILE CG2 . 11306 1 93 . 1 1 13 13 ILE N N 15 115.275 0.300 . 1 . . . . 13 ILE N . 11306 1 94 . 1 1 14 14 ARG H H 1 8.009 0.030 . 1 . . . . 14 ARG H . 11306 1 95 . 1 1 14 14 ARG HA H 1 3.909 0.030 . 1 . . . . 14 ARG HA . 11306 1 96 . 1 1 14 14 ARG HB2 H 1 1.910 0.030 . 1 . . . . 14 ARG HB2 . 11306 1 97 . 1 1 14 14 ARG HB3 H 1 1.910 0.030 . 1 . . . . 14 ARG HB3 . 11306 1 98 . 1 1 14 14 ARG HD2 H 1 3.100 0.030 . 2 . . . . 14 ARG HD2 . 11306 1 99 . 1 1 14 14 ARG HD3 H 1 3.136 0.030 . 2 . . . . 14 ARG HD3 . 11306 1 100 . 1 1 14 14 ARG HE H 1 7.504 0.030 . 1 . . . . 14 ARG HE . 11306 1 101 . 1 1 14 14 ARG HG2 H 1 1.772 0.030 . 2 . . . . 14 ARG HG2 . 11306 1 102 . 1 1 14 14 ARG HG3 H 1 1.823 0.030 . 2 . . . . 14 ARG HG3 . 11306 1 103 . 1 1 14 14 ARG C C 13 179.801 0.300 . 1 . . . . 14 ARG C . 11306 1 104 . 1 1 14 14 ARG CA C 13 60.362 0.300 . 1 . . . . 14 ARG CA . 11306 1 105 . 1 1 14 14 ARG CB C 13 32.926 0.300 . 1 . . . . 14 ARG CB . 11306 1 106 . 1 1 14 14 ARG CD C 13 46.050 0.300 . 1 . . . . 14 ARG CD . 11306 1 107 . 1 1 14 14 ARG CG C 13 29.370 0.300 . 1 . . . . 14 ARG CG . 11306 1 108 . 1 1 14 14 ARG N N 15 117.984 0.300 . 1 . . . . 14 ARG N . 11306 1 109 . 1 1 14 14 ARG NE N 15 111.613 0.300 . 1 . . . . 14 ARG NE . 11306 1 110 . 1 1 15 15 LYS H H 1 7.584 0.030 . 1 . . . . 15 LYS H . 11306 1 111 . 1 1 15 15 LYS HA H 1 3.950 0.030 . 1 . . . . 15 LYS HA . 11306 1 112 . 1 1 15 15 LYS HB2 H 1 1.604 0.030 . 2 . . . . 15 LYS HB2 . 11306 1 113 . 1 1 15 15 LYS HB3 H 1 1.303 0.030 . 2 . . . . 15 LYS HB3 . 11306 1 114 . 1 1 15 15 LYS HD2 H 1 1.417 0.030 . 2 . . . . 15 LYS HD2 . 11306 1 115 . 1 1 15 15 LYS HD3 H 1 1.492 0.030 . 2 . . . . 15 LYS HD3 . 11306 1 116 . 1 1 15 15 LYS HE2 H 1 2.895 0.030 . 1 . . . . 15 LYS HE2 . 11306 1 117 . 1 1 15 15 LYS HE3 H 1 2.895 0.030 . 1 . . . . 15 LYS HE3 . 11306 1 118 . 1 1 15 15 LYS HG2 H 1 0.859 0.030 . 2 . . . . 15 LYS HG2 . 11306 1 119 . 1 1 15 15 LYS HG3 H 1 1.045 0.030 . 2 . . . . 15 LYS HG3 . 11306 1 120 . 1 1 15 15 LYS C C 13 180.586 0.300 . 1 . . . . 15 LYS C . 11306 1 121 . 1 1 15 15 LYS CA C 13 61.178 0.300 . 1 . . . . 15 LYS CA . 11306 1 122 . 1 1 15 15 LYS CB C 13 34.415 0.300 . 1 . . . . 15 LYS CB . 11306 1 123 . 1 1 15 15 LYS CD C 13 31.977 0.300 . 1 . . . . 15 LYS CD . 11306 1 124 . 1 1 15 15 LYS CE C 13 44.371 0.300 . 1 . . . . 15 LYS CE . 11306 1 125 . 1 1 15 15 LYS CG C 13 26.775 0.300 . 1 . . . . 15 LYS CG . 11306 1 126 . 1 1 15 15 LYS N N 15 118.709 0.300 . 1 . . . . 15 LYS N . 11306 1 127 . 1 1 16 16 TYR H H 1 6.693 0.030 . 1 . . . . 16 TYR H . 11306 1 128 . 1 1 16 16 TYR HA H 1 5.077 0.030 . 1 . . . . 16 TYR HA . 11306 1 129 . 1 1 16 16 TYR HB2 H 1 3.399 0.030 . 2 . . . . 16 TYR HB2 . 11306 1 130 . 1 1 16 16 TYR HB3 H 1 2.186 0.030 . 2 . . . . 16 TYR HB3 . 11306 1 131 . 1 1 16 16 TYR HD1 H 1 7.170 0.030 . 1 . . . . 16 TYR HD1 . 11306 1 132 . 1 1 16 16 TYR HD2 H 1 7.170 0.030 . 1 . . . . 16 TYR HD2 . 11306 1 133 . 1 1 16 16 TYR HE1 H 1 6.869 0.030 . 1 . . . . 16 TYR HE1 . 11306 1 134 . 1 1 16 16 TYR HE2 H 1 6.869 0.030 . 1 . . . . 16 TYR HE2 . 11306 1 135 . 1 1 16 16 TYR C C 13 176.199 0.300 . 1 . . . . 16 TYR C . 11306 1 136 . 1 1 16 16 TYR CA C 13 58.934 0.300 . 1 . . . . 16 TYR CA . 11306 1 137 . 1 1 16 16 TYR CB C 13 41.834 0.300 . 1 . . . . 16 TYR CB . 11306 1 138 . 1 1 16 16 TYR CD1 C 13 135.406 0.300 . 1 . . . . 16 TYR CD1 . 11306 1 139 . 1 1 16 16 TYR CD2 C 13 135.406 0.300 . 1 . . . . 16 TYR CD2 . 11306 1 140 . 1 1 16 16 TYR CE1 C 13 119.927 0.300 . 1 . . . . 16 TYR CE1 . 11306 1 141 . 1 1 16 16 TYR CE2 C 13 119.927 0.300 . 1 . . . . 16 TYR CE2 . 11306 1 142 . 1 1 16 16 TYR N N 15 114.240 0.300 . 1 . . . . 16 TYR N . 11306 1 143 . 1 1 17 17 THR H H 1 7.236 0.030 . 1 . . . . 17 THR H . 11306 1 144 . 1 1 17 17 THR HA H 1 5.538 0.030 . 1 . . . . 17 THR HA . 11306 1 145 . 1 1 17 17 THR HB H 1 3.650 0.030 . 1 . . . . 17 THR HB . 11306 1 146 . 1 1 17 17 THR HG21 H 1 0.957 0.030 . 1 . . . . 17 THR HG2 . 11306 1 147 . 1 1 17 17 THR HG22 H 1 0.957 0.030 . 1 . . . . 17 THR HG2 . 11306 1 148 . 1 1 17 17 THR HG23 H 1 0.957 0.030 . 1 . . . . 17 THR HG2 . 11306 1 149 . 1 1 17 17 THR C C 13 176.054 0.300 . 1 . . . . 17 THR C . 11306 1 150 . 1 1 17 17 THR CA C 13 61.307 0.300 . 1 . . . . 17 THR CA . 11306 1 151 . 1 1 17 17 THR CB C 13 76.332 0.300 . 1 . . . . 17 THR CB . 11306 1 152 . 1 1 17 17 THR CG2 C 13 24.696 0.300 . 1 . . . . 17 THR CG2 . 11306 1 153 . 1 1 17 17 THR N N 15 105.620 0.300 . 1 . . . . 17 THR N . 11306 1 154 . 1 1 18 18 GLU H H 1 8.720 0.030 . 1 . . . . 18 GLU H . 11306 1 155 . 1 1 18 18 GLU HA H 1 4.694 0.030 . 1 . . . . 18 GLU HA . 11306 1 156 . 1 1 18 18 GLU HB2 H 1 1.922 0.030 . 2 . . . . 18 GLU HB2 . 11306 1 157 . 1 1 18 18 GLU HB3 H 1 2.027 0.030 . 2 . . . . 18 GLU HB3 . 11306 1 158 . 1 1 18 18 GLU HG2 H 1 2.219 0.030 . 2 . . . . 18 GLU HG2 . 11306 1 159 . 1 1 18 18 GLU HG3 H 1 2.324 0.030 . 2 . . . . 18 GLU HG3 . 11306 1 160 . 1 1 18 18 GLU C C 13 177.970 0.300 . 1 . . . . 18 GLU C . 11306 1 161 . 1 1 18 18 GLU CA C 13 56.353 0.300 . 1 . . . . 18 GLU CA . 11306 1 162 . 1 1 18 18 GLU CB C 13 34.767 0.300 . 1 . . . . 18 GLU CB . 11306 1 163 . 1 1 18 18 GLU CG C 13 38.278 0.300 . 1 . . . . 18 GLU CG . 11306 1 164 . 1 1 18 18 GLU N N 15 120.154 0.300 . 1 . . . . 18 GLU N . 11306 1 165 . 1 1 19 19 GLU H H 1 8.958 0.030 . 1 . . . . 19 GLU H . 11306 1 166 . 1 1 19 19 GLU HA H 1 4.421 0.030 . 1 . . . . 19 GLU HA . 11306 1 167 . 1 1 19 19 GLU HB2 H 1 2.052 0.030 . 2 . . . . 19 GLU HB2 . 11306 1 168 . 1 1 19 19 GLU HB3 H 1 1.984 0.030 . 2 . . . . 19 GLU HB3 . 11306 1 169 . 1 1 19 19 GLU HG2 H 1 2.173 0.030 . 2 . . . . 19 GLU HG2 . 11306 1 170 . 1 1 19 19 GLU HG3 H 1 2.404 0.030 . 2 . . . . 19 GLU HG3 . 11306 1 171 . 1 1 19 19 GLU C C 13 178.704 0.300 . 1 . . . . 19 GLU C . 11306 1 172 . 1 1 19 19 GLU CA C 13 59.915 0.300 . 1 . . . . 19 GLU CA . 11306 1 173 . 1 1 19 19 GLU CB C 13 32.877 0.300 . 1 . . . . 19 GLU CB . 11306 1 174 . 1 1 19 19 GLU CG C 13 39.328 0.300 . 1 . . . . 19 GLU CG . 11306 1 175 . 1 1 19 19 GLU N N 15 127.928 0.300 . 1 . . . . 19 GLU N . 11306 1 176 . 1 1 20 20 LEU H H 1 8.748 0.030 . 1 . . . . 20 LEU H . 11306 1 177 . 1 1 20 20 LEU HA H 1 4.733 0.030 . 1 . . . . 20 LEU HA . 11306 1 178 . 1 1 20 20 LEU HB2 H 1 1.551 0.030 . 1 . . . . 20 LEU HB2 . 11306 1 179 . 1 1 20 20 LEU HB3 H 1 1.551 0.030 . 1 . . . . 20 LEU HB3 . 11306 1 180 . 1 1 20 20 LEU HD11 H 1 0.863 0.030 . 1 . . . . 20 LEU HD1 . 11306 1 181 . 1 1 20 20 LEU HD12 H 1 0.863 0.030 . 1 . . . . 20 LEU HD1 . 11306 1 182 . 1 1 20 20 LEU HD13 H 1 0.863 0.030 . 1 . . . . 20 LEU HD1 . 11306 1 183 . 1 1 20 20 LEU HD21 H 1 0.938 0.030 . 1 . . . . 20 LEU HD2 . 11306 1 184 . 1 1 20 20 LEU HD22 H 1 0.938 0.030 . 1 . . . . 20 LEU HD2 . 11306 1 185 . 1 1 20 20 LEU HD23 H 1 0.938 0.030 . 1 . . . . 20 LEU HD2 . 11306 1 186 . 1 1 20 20 LEU HG H 1 1.731 0.030 . 1 . . . . 20 LEU HG . 11306 1 187 . 1 1 20 20 LEU C C 13 178.803 0.300 . 1 . . . . 20 LEU C . 11306 1 188 . 1 1 20 20 LEU CA C 13 55.693 0.300 . 1 . . . . 20 LEU CA . 11306 1 189 . 1 1 20 20 LEU CB C 13 45.246 0.300 . 1 . . . . 20 LEU CB . 11306 1 190 . 1 1 20 20 LEU CD1 C 13 28.013 0.300 . 2 . . . . 20 LEU CD1 . 11306 1 191 . 1 1 20 20 LEU CD2 C 13 24.765 0.300 . 2 . . . . 20 LEU CD2 . 11306 1 192 . 1 1 20 20 LEU CG C 13 29.333 0.300 . 1 . . . . 20 LEU CG . 11306 1 193 . 1 1 20 20 LEU N N 15 126.922 0.300 . 1 . . . . 20 LEU N . 11306 1 194 . 1 1 21 21 LYS H H 1 8.726 0.030 . 1 . . . . 21 LYS H . 11306 1 195 . 1 1 21 21 LYS HA H 1 4.317 0.030 . 1 . . . . 21 LYS HA . 11306 1 196 . 1 1 21 21 LYS HB2 H 1 1.903 0.030 . 2 . . . . 21 LYS HB2 . 11306 1 197 . 1 1 21 21 LYS HB3 H 1 1.985 0.030 . 2 . . . . 21 LYS HB3 . 11306 1 198 . 1 1 21 21 LYS HD2 H 1 1.786 0.030 . 1 . . . . 21 LYS HD2 . 11306 1 199 . 1 1 21 21 LYS HD3 H 1 1.786 0.030 . 1 . . . . 21 LYS HD3 . 11306 1 200 . 1 1 21 21 LYS HE2 H 1 3.090 0.030 . 1 . . . . 21 LYS HE2 . 11306 1 201 . 1 1 21 21 LYS HE3 H 1 3.090 0.030 . 1 . . . . 21 LYS HE3 . 11306 1 202 . 1 1 21 21 LYS HG2 H 1 1.565 0.030 . 2 . . . . 21 LYS HG2 . 11306 1 203 . 1 1 21 21 LYS HG3 H 1 1.650 0.030 . 2 . . . . 21 LYS HG3 . 11306 1 204 . 1 1 21 21 LYS C C 13 179.039 0.300 . 1 . . . . 21 LYS C . 11306 1 205 . 1 1 21 21 LYS CA C 13 59.912 0.300 . 1 . . . . 21 LYS CA . 11306 1 206 . 1 1 21 21 LYS CB C 13 35.064 0.300 . 1 . . . . 21 LYS CB . 11306 1 207 . 1 1 21 21 LYS CD C 13 31.059 0.300 . 1 . . . . 21 LYS CD . 11306 1 208 . 1 1 21 21 LYS CE C 13 44.530 0.300 . 1 . . . . 21 LYS CE . 11306 1 209 . 1 1 21 21 LYS CG C 13 27.472 0.300 . 1 . . . . 21 LYS CG . 11306 1 210 . 1 1 21 21 LYS N N 15 122.207 0.300 . 1 . . . . 21 LYS N . 11306 1 211 . 1 1 22 22 VAL H H 1 7.558 0.030 . 1 . . . . 22 VAL H . 11306 1 212 . 1 1 22 22 VAL HA H 1 4.231 0.030 . 1 . . . . 22 VAL HA . 11306 1 213 . 1 1 22 22 VAL HB H 1 1.943 0.030 . 1 . . . . 22 VAL HB . 11306 1 214 . 1 1 22 22 VAL HG11 H 1 0.945 0.030 . 1 . . . . 22 VAL HG1 . 11306 1 215 . 1 1 22 22 VAL HG12 H 1 0.945 0.030 . 1 . . . . 22 VAL HG1 . 11306 1 216 . 1 1 22 22 VAL HG13 H 1 0.945 0.030 . 1 . . . . 22 VAL HG1 . 11306 1 217 . 1 1 22 22 VAL HG21 H 1 0.926 0.030 . 1 . . . . 22 VAL HG2 . 11306 1 218 . 1 1 22 22 VAL HG22 H 1 0.926 0.030 . 1 . . . . 22 VAL HG2 . 11306 1 219 . 1 1 22 22 VAL HG23 H 1 0.926 0.030 . 1 . . . . 22 VAL HG2 . 11306 1 220 . 1 1 22 22 VAL C C 13 177.144 0.300 . 1 . . . . 22 VAL C . 11306 1 221 . 1 1 22 22 VAL CA C 13 62.816 0.300 . 1 . . . . 22 VAL CA . 11306 1 222 . 1 1 22 22 VAL CB C 13 36.466 0.300 . 1 . . . . 22 VAL CB . 11306 1 223 . 1 1 22 22 VAL CG1 C 13 22.988 0.300 . 2 . . . . 22 VAL CG1 . 11306 1 224 . 1 1 22 22 VAL CG2 C 13 23.139 0.300 . 2 . . . . 22 VAL CG2 . 11306 1 225 . 1 1 22 22 VAL N N 15 117.694 0.300 . 1 . . . . 22 VAL N . 11306 1 226 . 1 1 23 23 ALA H H 1 8.858 0.030 . 1 . . . . 23 ALA H . 11306 1 227 . 1 1 23 23 ALA HA H 1 4.329 0.030 . 1 . . . . 23 ALA HA . 11306 1 228 . 1 1 23 23 ALA HB1 H 1 1.315 0.030 . 1 . . . . 23 ALA HB . 11306 1 229 . 1 1 23 23 ALA HB2 H 1 1.315 0.030 . 1 . . . . 23 ALA HB . 11306 1 230 . 1 1 23 23 ALA HB3 H 1 1.315 0.030 . 1 . . . . 23 ALA HB . 11306 1 231 . 1 1 23 23 ALA C C 13 177.728 0.300 . 1 . . . . 23 ALA C . 11306 1 232 . 1 1 23 23 ALA CA C 13 52.592 0.300 . 1 . . . . 23 ALA CA . 11306 1 233 . 1 1 23 23 ALA CB C 13 20.149 0.300 . 1 . . . . 23 ALA CB . 11306 1 234 . 1 1 23 23 ALA N N 15 130.565 0.300 . 1 . . . . 23 ALA N . 11306 1 235 . 1 1 24 24 PRO HA H 1 4.617 0.030 . 1 . . . . 24 PRO HA . 11306 1 236 . 1 1 24 24 PRO HB2 H 1 2.422 0.030 . 2 . . . . 24 PRO HB2 . 11306 1 237 . 1 1 24 24 PRO HB3 H 1 1.847 0.030 . 2 . . . . 24 PRO HB3 . 11306 1 238 . 1 1 24 24 PRO HD2 H 1 3.302 0.030 . 2 . . . . 24 PRO HD2 . 11306 1 239 . 1 1 24 24 PRO HD3 H 1 4.013 0.030 . 2 . . . . 24 PRO HD3 . 11306 1 240 . 1 1 24 24 PRO HG2 H 1 1.946 0.030 . 1 . . . . 24 PRO HG2 . 11306 1 241 . 1 1 24 24 PRO HG3 H 1 1.946 0.030 . 1 . . . . 24 PRO HG3 . 11306 1 242 . 1 1 24 24 PRO C C 13 178.238 0.300 . 1 . . . . 24 PRO C . 11306 1 243 . 1 1 24 24 PRO CA C 13 64.144 0.300 . 1 . . . . 24 PRO CA . 11306 1 244 . 1 1 24 24 PRO CB C 13 34.920 0.300 . 1 . . . . 24 PRO CB . 11306 1 245 . 1 1 24 24 PRO CD C 13 52.726 0.300 . 1 . . . . 24 PRO CD . 11306 1 246 . 1 1 24 24 PRO CG C 13 29.515 0.300 . 1 . . . . 24 PRO CG . 11306 1 247 . 1 1 25 25 GLU H H 1 8.731 0.030 . 1 . . . . 25 GLU H . 11306 1 248 . 1 1 25 25 GLU HA H 1 4.411 0.030 . 1 . . . . 25 GLU HA . 11306 1 249 . 1 1 25 25 GLU HB2 H 1 1.955 0.030 . 2 . . . . 25 GLU HB2 . 11306 1 250 . 1 1 25 25 GLU HB3 H 1 2.194 0.030 . 2 . . . . 25 GLU HB3 . 11306 1 251 . 1 1 25 25 GLU HG2 H 1 2.314 0.030 . 2 . . . . 25 GLU HG2 . 11306 1 252 . 1 1 25 25 GLU HG3 H 1 2.359 0.030 . 2 . . . . 25 GLU HG3 . 11306 1 253 . 1 1 25 25 GLU C C 13 177.904 0.300 . 1 . . . . 25 GLU C . 11306 1 254 . 1 1 25 25 GLU CA C 13 58.095 0.300 . 1 . . . . 25 GLU CA . 11306 1 255 . 1 1 25 25 GLU CB C 13 30.454 0.300 . 1 . . . . 25 GLU CB . 11306 1 256 . 1 1 25 25 GLU CG C 13 38.641 0.300 . 1 . . . . 25 GLU CG . 11306 1 257 . 1 1 25 25 GLU N N 15 122.475 0.300 . 1 . . . . 25 GLU N . 11306 1 258 . 1 1 26 26 GLU H H 1 7.822 0.030 . 1 . . . . 26 GLU H . 11306 1 259 . 1 1 26 26 GLU HA H 1 4.600 0.030 . 1 . . . . 26 GLU HA . 11306 1 260 . 1 1 26 26 GLU HB2 H 1 2.234 0.030 . 2 . . . . 26 GLU HB2 . 11306 1 261 . 1 1 26 26 GLU HB3 H 1 1.830 0.030 . 2 . . . . 26 GLU HB3 . 11306 1 262 . 1 1 26 26 GLU HG2 H 1 2.142 0.030 . 2 . . . . 26 GLU HG2 . 11306 1 263 . 1 1 26 26 GLU HG3 H 1 2.298 0.030 . 2 . . . . 26 GLU HG3 . 11306 1 264 . 1 1 26 26 GLU C C 13 176.906 0.300 . 1 . . . . 26 GLU C . 11306 1 265 . 1 1 26 26 GLU CA C 13 57.253 0.300 . 1 . . . . 26 GLU CA . 11306 1 266 . 1 1 26 26 GLU CB C 13 35.685 0.300 . 1 . . . . 26 GLU CB . 11306 1 267 . 1 1 26 26 GLU CG C 13 38.631 0.300 . 1 . . . . 26 GLU CG . 11306 1 268 . 1 1 26 26 GLU N N 15 119.931 0.300 . 1 . . . . 26 GLU N . 11306 1 269 . 1 1 27 27 ASP H H 1 8.456 0.030 . 1 . . . . 27 ASP H . 11306 1 270 . 1 1 27 27 ASP HA H 1 4.810 0.030 . 1 . . . . 27 ASP HA . 11306 1 271 . 1 1 27 27 ASP HB2 H 1 2.230 0.030 . 2 . . . . 27 ASP HB2 . 11306 1 272 . 1 1 27 27 ASP HB3 H 1 2.360 0.030 . 2 . . . . 27 ASP HB3 . 11306 1 273 . 1 1 27 27 ASP C C 13 178.751 0.300 . 1 . . . . 27 ASP C . 11306 1 274 . 1 1 27 27 ASP CA C 13 56.681 0.300 . 1 . . . . 27 ASP CA . 11306 1 275 . 1 1 27 27 ASP CB C 13 43.574 0.300 . 1 . . . . 27 ASP CB . 11306 1 276 . 1 1 27 27 ASP N N 15 119.355 0.300 . 1 . . . . 27 ASP N . 11306 1 277 . 1 1 28 28 CYS H H 1 8.975 0.030 . 1 . . . . 28 CYS H . 11306 1 278 . 1 1 28 28 CYS HA H 1 4.661 0.030 . 1 . . . . 28 CYS HA . 11306 1 279 . 1 1 28 28 CYS HB2 H 1 2.687 0.030 . 2 . . . . 28 CYS HB2 . 11306 1 280 . 1 1 28 28 CYS HB3 H 1 3.968 0.030 . 2 . . . . 28 CYS HB3 . 11306 1 281 . 1 1 28 28 CYS C C 13 179.715 0.300 . 1 . . . . 28 CYS C . 11306 1 282 . 1 1 28 28 CYS CA C 13 61.207 0.300 . 1 . . . . 28 CYS CA . 11306 1 283 . 1 1 28 28 CYS CB C 13 33.393 0.300 . 1 . . . . 28 CYS CB . 11306 1 284 . 1 1 28 28 CYS N N 15 124.460 0.300 . 1 . . . . 28 CYS N . 11306 1 285 . 1 1 29 29 ILE H H 1 8.933 0.030 . 1 . . . . 29 ILE H . 11306 1 286 . 1 1 29 29 ILE HA H 1 4.573 0.030 . 1 . . . . 29 ILE HA . 11306 1 287 . 1 1 29 29 ILE HB H 1 2.327 0.030 . 1 . . . . 29 ILE HB . 11306 1 288 . 1 1 29 29 ILE HD11 H 1 0.988 0.030 . 1 . . . . 29 ILE HD1 . 11306 1 289 . 1 1 29 29 ILE HD12 H 1 0.988 0.030 . 1 . . . . 29 ILE HD1 . 11306 1 290 . 1 1 29 29 ILE HD13 H 1 0.988 0.030 . 1 . . . . 29 ILE HD1 . 11306 1 291 . 1 1 29 29 ILE HG12 H 1 1.635 0.030 . 1 . . . . 29 ILE HG12 . 11306 1 292 . 1 1 29 29 ILE HG13 H 1 1.635 0.030 . 1 . . . . 29 ILE HG13 . 11306 1 293 . 1 1 29 29 ILE HG21 H 1 1.112 0.030 . 1 . . . . 29 ILE HG2 . 11306 1 294 . 1 1 29 29 ILE HG22 H 1 1.112 0.030 . 1 . . . . 29 ILE HG2 . 11306 1 295 . 1 1 29 29 ILE HG23 H 1 1.112 0.030 . 1 . . . . 29 ILE HG2 . 11306 1 296 . 1 1 29 29 ILE C C 13 178.413 0.300 . 1 . . . . 29 ILE C . 11306 1 297 . 1 1 29 29 ILE CA C 13 65.326 0.300 . 1 . . . . 29 ILE CA . 11306 1 298 . 1 1 29 29 ILE CB C 13 40.108 0.300 . 1 . . . . 29 ILE CB . 11306 1 299 . 1 1 29 29 ILE CD1 C 13 16.509 0.300 . 1 . . . . 29 ILE CD1 . 11306 1 300 . 1 1 29 29 ILE CG1 C 13 30.843 0.300 . 1 . . . . 29 ILE CG1 . 11306 1 301 . 1 1 29 29 ILE CG2 C 13 21.297 0.300 . 1 . . . . 29 ILE CG2 . 11306 1 302 . 1 1 29 29 ILE N N 15 125.573 0.300 . 1 . . . . 29 ILE N . 11306 1 303 . 1 1 30 30 ILE H H 1 8.428 0.030 . 1 . . . . 30 ILE H . 11306 1 304 . 1 1 30 30 ILE HA H 1 4.143 0.030 . 1 . . . . 30 ILE HA . 11306 1 305 . 1 1 30 30 ILE HB H 1 2.073 0.030 . 1 . . . . 30 ILE HB . 11306 1 306 . 1 1 30 30 ILE HD11 H 1 0.605 0.030 . 1 . . . . 30 ILE HD1 . 11306 1 307 . 1 1 30 30 ILE HD12 H 1 0.605 0.030 . 1 . . . . 30 ILE HD1 . 11306 1 308 . 1 1 30 30 ILE HD13 H 1 0.605 0.030 . 1 . . . . 30 ILE HD1 . 11306 1 309 . 1 1 30 30 ILE HG12 H 1 1.043 0.030 . 2 . . . . 30 ILE HG12 . 11306 1 310 . 1 1 30 30 ILE HG13 H 1 1.872 0.030 . 2 . . . . 30 ILE HG13 . 11306 1 311 . 1 1 30 30 ILE HG21 H 1 1.096 0.030 . 1 . . . . 30 ILE HG2 . 11306 1 312 . 1 1 30 30 ILE HG22 H 1 1.096 0.030 . 1 . . . . 30 ILE HG2 . 11306 1 313 . 1 1 30 30 ILE HG23 H 1 1.096 0.030 . 1 . . . . 30 ILE HG2 . 11306 1 314 . 1 1 30 30 ILE C C 13 178.710 0.300 . 1 . . . . 30 ILE C . 11306 1 315 . 1 1 30 30 ILE CA C 13 67.271 0.300 . 1 . . . . 30 ILE CA . 11306 1 316 . 1 1 30 30 ILE CB C 13 41.043 0.300 . 1 . . . . 30 ILE CB . 11306 1 317 . 1 1 30 30 ILE CD1 C 13 16.782 0.300 . 1 . . . . 30 ILE CD1 . 11306 1 318 . 1 1 30 30 ILE CG1 C 13 30.601 0.300 . 1 . . . . 30 ILE CG1 . 11306 1 319 . 1 1 30 30 ILE CG2 C 13 19.208 0.300 . 1 . . . . 30 ILE CG2 . 11306 1 320 . 1 1 30 30 ILE N N 15 120.981 0.300 . 1 . . . . 30 ILE N . 11306 1 321 . 1 1 31 31 CYS H H 1 7.764 0.030 . 1 . . . . 31 CYS H . 11306 1 322 . 1 1 31 31 CYS HA H 1 5.040 0.030 . 1 . . . . 31 CYS HA . 11306 1 323 . 1 1 31 31 CYS HB2 H 1 3.347 0.030 . 2 . . . . 31 CYS HB2 . 11306 1 324 . 1 1 31 31 CYS HB3 H 1 3.609 0.030 . 2 . . . . 31 CYS HB3 . 11306 1 325 . 1 1 31 31 CYS C C 13 177.983 0.300 . 1 . . . . 31 CYS C . 11306 1 326 . 1 1 31 31 CYS CA C 13 60.812 0.300 . 1 . . . . 31 CYS CA . 11306 1 327 . 1 1 31 31 CYS CB C 13 34.678 0.300 . 1 . . . . 31 CYS CB . 11306 1 328 . 1 1 31 31 CYS N N 15 115.295 0.300 . 1 . . . . 31 CYS N . 11306 1 329 . 1 1 32 32 MET H H 1 8.710 0.030 . 1 . . . . 32 MET H . 11306 1 330 . 1 1 32 32 MET HA H 1 4.433 0.030 . 1 . . . . 32 MET HA . 11306 1 331 . 1 1 32 32 MET HB2 H 1 2.415 0.030 . 2 . . . . 32 MET HB2 . 11306 1 332 . 1 1 32 32 MET HB3 H 1 2.511 0.030 . 2 . . . . 32 MET HB3 . 11306 1 333 . 1 1 32 32 MET HE1 H 1 2.161 0.030 . 1 . . . . 32 MET HE . 11306 1 334 . 1 1 32 32 MET HE2 H 1 2.161 0.030 . 1 . . . . 32 MET HE . 11306 1 335 . 1 1 32 32 MET HE3 H 1 2.161 0.030 . 1 . . . . 32 MET HE . 11306 1 336 . 1 1 32 32 MET HG2 H 1 2.727 0.030 . 2 . . . . 32 MET HG2 . 11306 1 337 . 1 1 32 32 MET HG3 H 1 2.488 0.030 . 2 . . . . 32 MET HG3 . 11306 1 338 . 1 1 32 32 MET C C 13 177.850 0.300 . 1 . . . . 32 MET C . 11306 1 339 . 1 1 32 32 MET CA C 13 59.114 0.300 . 1 . . . . 32 MET CA . 11306 1 340 . 1 1 32 32 MET CB C 13 30.380 0.300 . 1 . . . . 32 MET CB . 11306 1 341 . 1 1 32 32 MET CE C 13 18.588 0.300 . 1 . . . . 32 MET CE . 11306 1 342 . 1 1 32 32 MET CG C 13 35.286 0.300 . 1 . . . . 32 MET CG . 11306 1 343 . 1 1 32 32 MET N N 15 118.705 0.300 . 1 . . . . 32 MET N . 11306 1 344 . 1 1 33 33 GLU H H 1 8.743 0.030 . 1 . . . . 33 GLU H . 11306 1 345 . 1 1 33 33 GLU HA H 1 4.810 0.030 . 1 . . . . 33 GLU HA . 11306 1 346 . 1 1 33 33 GLU HB2 H 1 2.264 0.030 . 1 . . . . 33 GLU HB2 . 11306 1 347 . 1 1 33 33 GLU HB3 H 1 2.264 0.030 . 1 . . . . 33 GLU HB3 . 11306 1 348 . 1 1 33 33 GLU HG2 H 1 2.386 0.030 . 1 . . . . 33 GLU HG2 . 11306 1 349 . 1 1 33 33 GLU HG3 H 1 2.386 0.030 . 1 . . . . 33 GLU HG3 . 11306 1 350 . 1 1 33 33 GLU C C 13 178.856 0.300 . 1 . . . . 33 GLU C . 11306 1 351 . 1 1 33 33 GLU CA C 13 56.702 0.300 . 1 . . . . 33 GLU CA . 11306 1 352 . 1 1 33 33 GLU CB C 13 33.232 0.300 . 1 . . . . 33 GLU CB . 11306 1 353 . 1 1 33 33 GLU CG C 13 37.616 0.300 . 1 . . . . 33 GLU CG . 11306 1 354 . 1 1 33 33 GLU N N 15 120.161 0.300 . 1 . . . . 33 GLU N . 11306 1 355 . 1 1 34 34 LYS H H 1 8.805 0.030 . 1 . . . . 34 LYS H . 11306 1 356 . 1 1 34 34 LYS HA H 1 4.500 0.030 . 1 . . . . 34 LYS HA . 11306 1 357 . 1 1 34 34 LYS HB2 H 1 2.106 0.030 . 2 . . . . 34 LYS HB2 . 11306 1 358 . 1 1 34 34 LYS HB3 H 1 1.890 0.030 . 2 . . . . 34 LYS HB3 . 11306 1 359 . 1 1 34 34 LYS HD2 H 1 1.665 0.030 . 2 . . . . 34 LYS HD2 . 11306 1 360 . 1 1 34 34 LYS HD3 H 1 1.811 0.030 . 2 . . . . 34 LYS HD3 . 11306 1 361 . 1 1 34 34 LYS HE2 H 1 3.055 0.030 . 2 . . . . 34 LYS HE2 . 11306 1 362 . 1 1 34 34 LYS HE3 H 1 3.088 0.030 . 2 . . . . 34 LYS HE3 . 11306 1 363 . 1 1 34 34 LYS HG2 H 1 1.700 0.030 . 1 . . . . 34 LYS HG2 . 11306 1 364 . 1 1 34 34 LYS HG3 H 1 1.700 0.030 . 1 . . . . 34 LYS HG3 . 11306 1 365 . 1 1 34 34 LYS C C 13 179.973 0.300 . 1 . . . . 34 LYS C . 11306 1 366 . 1 1 34 34 LYS CA C 13 59.284 0.300 . 1 . . . . 34 LYS CA . 11306 1 367 . 1 1 34 34 LYS CB C 13 34.915 0.300 . 1 . . . . 34 LYS CB . 11306 1 368 . 1 1 34 34 LYS CD C 13 31.072 0.300 . 1 . . . . 34 LYS CD . 11306 1 369 . 1 1 34 34 LYS CE C 13 44.483 0.300 . 1 . . . . 34 LYS CE . 11306 1 370 . 1 1 34 34 LYS CG C 13 27.406 0.300 . 1 . . . . 34 LYS CG . 11306 1 371 . 1 1 34 34 LYS N N 15 121.262 0.300 . 1 . . . . 34 LYS N . 11306 1 372 . 1 1 35 35 LEU H H 1 8.443 0.030 . 1 . . . . 35 LEU H . 11306 1 373 . 1 1 35 35 LEU HA H 1 3.701 0.030 . 1 . . . . 35 LEU HA . 11306 1 374 . 1 1 35 35 LEU HB2 H 1 2.003 0.030 . 2 . . . . 35 LEU HB2 . 11306 1 375 . 1 1 35 35 LEU HB3 H 1 1.172 0.030 . 2 . . . . 35 LEU HB3 . 11306 1 376 . 1 1 35 35 LEU HD11 H 1 0.610 0.030 . 1 . . . . 35 LEU HD1 . 11306 1 377 . 1 1 35 35 LEU HD12 H 1 0.610 0.030 . 1 . . . . 35 LEU HD1 . 11306 1 378 . 1 1 35 35 LEU HD13 H 1 0.610 0.030 . 1 . . . . 35 LEU HD1 . 11306 1 379 . 1 1 35 35 LEU HD21 H 1 0.388 0.030 . 1 . . . . 35 LEU HD2 . 11306 1 380 . 1 1 35 35 LEU HD22 H 1 0.388 0.030 . 1 . . . . 35 LEU HD2 . 11306 1 381 . 1 1 35 35 LEU HD23 H 1 0.388 0.030 . 1 . . . . 35 LEU HD2 . 11306 1 382 . 1 1 35 35 LEU HG H 1 1.486 0.030 . 1 . . . . 35 LEU HG . 11306 1 383 . 1 1 35 35 LEU C C 13 178.512 0.300 . 1 . . . . 35 LEU C . 11306 1 384 . 1 1 35 35 LEU CA C 13 59.584 0.300 . 1 . . . . 35 LEU CA . 11306 1 385 . 1 1 35 35 LEU CB C 13 43.386 0.300 . 1 . . . . 35 LEU CB . 11306 1 386 . 1 1 35 35 LEU CD1 C 13 29.736 0.300 . 2 . . . . 35 LEU CD1 . 11306 1 387 . 1 1 35 35 LEU CD2 C 13 26.116 0.300 . 2 . . . . 35 LEU CD2 . 11306 1 388 . 1 1 35 35 LEU CG C 13 29.729 0.300 . 1 . . . . 35 LEU CG . 11306 1 389 . 1 1 35 35 LEU N N 15 121.144 0.300 . 1 . . . . 35 LEU N . 11306 1 390 . 1 1 36 36 ALA H H 1 7.859 0.030 . 1 . . . . 36 ALA H . 11306 1 391 . 1 1 36 36 ALA HA H 1 4.122 0.030 . 1 . . . . 36 ALA HA . 11306 1 392 . 1 1 36 36 ALA HB1 H 1 1.478 0.030 . 1 . . . . 36 ALA HB . 11306 1 393 . 1 1 36 36 ALA HB2 H 1 1.478 0.030 . 1 . . . . 36 ALA HB . 11306 1 394 . 1 1 36 36 ALA HB3 H 1 1.478 0.030 . 1 . . . . 36 ALA HB . 11306 1 395 . 1 1 36 36 ALA C C 13 179.498 0.300 . 1 . . . . 36 ALA C . 11306 1 396 . 1 1 36 36 ALA CA C 13 54.725 0.300 . 1 . . . . 36 ALA CA . 11306 1 397 . 1 1 36 36 ALA CB C 13 22.115 0.300 . 1 . . . . 36 ALA CB . 11306 1 398 . 1 1 36 36 ALA N N 15 114.516 0.300 . 1 . . . . 36 ALA N . 11306 1 399 . 1 1 37 37 VAL H H 1 7.706 0.030 . 1 . . . . 37 VAL H . 11306 1 400 . 1 1 37 37 VAL HA H 1 4.658 0.030 . 1 . . . . 37 VAL HA . 11306 1 401 . 1 1 37 37 VAL HB H 1 2.477 0.030 . 1 . . . . 37 VAL HB . 11306 1 402 . 1 1 37 37 VAL HG11 H 1 1.039 0.030 . 1 . . . . 37 VAL HG1 . 11306 1 403 . 1 1 37 37 VAL HG12 H 1 1.039 0.030 . 1 . . . . 37 VAL HG1 . 11306 1 404 . 1 1 37 37 VAL HG13 H 1 1.039 0.030 . 1 . . . . 37 VAL HG1 . 11306 1 405 . 1 1 37 37 VAL HG21 H 1 1.229 0.030 . 1 . . . . 37 VAL HG2 . 11306 1 406 . 1 1 37 37 VAL HG22 H 1 1.229 0.030 . 1 . . . . 37 VAL HG2 . 11306 1 407 . 1 1 37 37 VAL HG23 H 1 1.229 0.030 . 1 . . . . 37 VAL HG2 . 11306 1 408 . 1 1 37 37 VAL C C 13 175.623 0.300 . 1 . . . . 37 VAL C . 11306 1 409 . 1 1 37 37 VAL CA C 13 61.307 0.300 . 1 . . . . 37 VAL CA . 11306 1 410 . 1 1 37 37 VAL CB C 13 36.140 0.300 . 1 . . . . 37 VAL CB . 11306 1 411 . 1 1 37 37 VAL CG1 C 13 23.550 0.300 . 2 . . . . 37 VAL CG1 . 11306 1 412 . 1 1 37 37 VAL CG2 C 13 22.653 0.300 . 2 . . . . 37 VAL CG2 . 11306 1 413 . 1 1 37 37 VAL N N 15 114.474 0.300 . 1 . . . . 37 VAL N . 11306 1 414 . 1 1 38 38 ALA H H 1 7.896 0.030 . 1 . . . . 38 ALA H . 11306 1 415 . 1 1 38 38 ALA HA H 1 4.037 0.030 . 1 . . . . 38 ALA HA . 11306 1 416 . 1 1 38 38 ALA HB1 H 1 1.290 0.030 . 1 . . . . 38 ALA HB . 11306 1 417 . 1 1 38 38 ALA HB2 H 1 1.290 0.030 . 1 . . . . 38 ALA HB . 11306 1 418 . 1 1 38 38 ALA HB3 H 1 1.290 0.030 . 1 . . . . 38 ALA HB . 11306 1 419 . 1 1 38 38 ALA C C 13 179.332 0.300 . 1 . . . . 38 ALA C . 11306 1 420 . 1 1 38 38 ALA CA C 13 54.941 0.300 . 1 . . . . 38 ALA CA . 11306 1 421 . 1 1 38 38 ALA CB C 13 21.607 0.300 . 1 . . . . 38 ALA CB . 11306 1 422 . 1 1 38 38 ALA N N 15 120.348 0.300 . 1 . . . . 38 ALA N . 11306 1 423 . 1 1 39 39 SER H H 1 8.055 0.030 . 1 . . . . 39 SER H . 11306 1 424 . 1 1 39 39 SER HA H 1 2.701 0.030 . 1 . . . . 39 SER HA . 11306 1 425 . 1 1 39 39 SER HB2 H 1 3.530 0.030 . 2 . . . . 39 SER HB2 . 11306 1 426 . 1 1 39 39 SER HB3 H 1 4.059 0.030 . 2 . . . . 39 SER HB3 . 11306 1 427 . 1 1 39 39 SER C C 13 180.125 0.300 . 1 . . . . 39 SER C . 11306 1 428 . 1 1 39 39 SER CA C 13 60.456 0.300 . 1 . . . . 39 SER CA . 11306 1 429 . 1 1 39 39 SER CB C 13 67.333 0.300 . 1 . . . . 39 SER CB . 11306 1 430 . 1 1 39 39 SER N N 15 110.809 0.300 . 1 . . . . 39 SER N . 11306 1 431 . 1 1 40 40 GLY H H 1 9.061 0.030 . 1 . . . . 40 GLY H . 11306 1 432 . 1 1 40 40 GLY HA2 H 1 4.265 0.030 . 2 . . . . 40 GLY HA2 . 11306 1 433 . 1 1 40 40 GLY HA3 H 1 3.925 0.030 . 2 . . . . 40 GLY HA3 . 11306 1 434 . 1 1 40 40 GLY C C 13 176.239 0.300 . 1 . . . . 40 GLY C . 11306 1 435 . 1 1 40 40 GLY CA C 13 49.251 0.300 . 1 . . . . 40 GLY CA . 11306 1 436 . 1 1 40 40 GLY N N 15 120.304 0.300 . 1 . . . . 40 GLY N . 11306 1 437 . 1 1 41 41 TYR H H 1 8.324 0.030 . 1 . . . . 41 TYR H . 11306 1 438 . 1 1 41 41 TYR HA H 1 4.666 0.030 . 1 . . . . 41 TYR HA . 11306 1 439 . 1 1 41 41 TYR HB2 H 1 3.412 0.030 . 2 . . . . 41 TYR HB2 . 11306 1 440 . 1 1 41 41 TYR HB3 H 1 2.628 0.030 . 2 . . . . 41 TYR HB3 . 11306 1 441 . 1 1 41 41 TYR HD1 H 1 7.408 0.030 . 1 . . . . 41 TYR HD1 . 11306 1 442 . 1 1 41 41 TYR HD2 H 1 7.408 0.030 . 1 . . . . 41 TYR HD2 . 11306 1 443 . 1 1 41 41 TYR HE1 H 1 6.796 0.030 . 1 . . . . 41 TYR HE1 . 11306 1 444 . 1 1 41 41 TYR HE2 H 1 6.796 0.030 . 1 . . . . 41 TYR HE2 . 11306 1 445 . 1 1 41 41 TYR C C 13 178.447 0.300 . 1 . . . . 41 TYR C . 11306 1 446 . 1 1 41 41 TYR CA C 13 60.860 0.300 . 1 . . . . 41 TYR CA . 11306 1 447 . 1 1 41 41 TYR CB C 13 39.965 0.300 . 1 . . . . 41 TYR CB . 11306 1 448 . 1 1 41 41 TYR CD1 C 13 135.483 0.300 . 1 . . . . 41 TYR CD1 . 11306 1 449 . 1 1 41 41 TYR CD2 C 13 135.483 0.300 . 1 . . . . 41 TYR CD2 . 11306 1 450 . 1 1 41 41 TYR CE1 C 13 120.213 0.300 . 1 . . . . 41 TYR CE1 . 11306 1 451 . 1 1 41 41 TYR CE2 C 13 120.213 0.300 . 1 . . . . 41 TYR CE2 . 11306 1 452 . 1 1 41 41 TYR N N 15 120.115 0.300 . 1 . . . . 41 TYR N . 11306 1 453 . 1 1 42 42 SER H H 1 7.560 0.030 . 1 . . . . 42 SER H . 11306 1 454 . 1 1 42 42 SER HA H 1 4.097 0.030 . 1 . . . . 42 SER HA . 11306 1 455 . 1 1 42 42 SER HB2 H 1 3.951 0.030 . 2 . . . . 42 SER HB2 . 11306 1 456 . 1 1 42 42 SER HB3 H 1 4.013 0.030 . 2 . . . . 42 SER HB3 . 11306 1 457 . 1 1 42 42 SER C C 13 176.805 0.300 . 1 . . . . 42 SER C . 11306 1 458 . 1 1 42 42 SER CA C 13 64.143 0.300 . 1 . . . . 42 SER CA . 11306 1 459 . 1 1 42 42 SER CB C 13 65.978 0.300 . 1 . . . . 42 SER CB . 11306 1 460 . 1 1 42 42 SER N N 15 115.953 0.300 . 1 . . . . 42 SER N . 11306 1 461 . 1 1 43 43 ASP H H 1 8.634 0.030 . 1 . . . . 43 ASP H . 11306 1 462 . 1 1 43 43 ASP HA H 1 4.744 0.030 . 1 . . . . 43 ASP HA . 11306 1 463 . 1 1 43 43 ASP HB2 H 1 2.732 0.030 . 2 . . . . 43 ASP HB2 . 11306 1 464 . 1 1 43 43 ASP HB3 H 1 2.840 0.030 . 2 . . . . 43 ASP HB3 . 11306 1 465 . 1 1 43 43 ASP C C 13 178.763 0.300 . 1 . . . . 43 ASP C . 11306 1 466 . 1 1 43 43 ASP CA C 13 57.335 0.300 . 1 . . . . 43 ASP CA . 11306 1 467 . 1 1 43 43 ASP CB C 13 42.782 0.300 . 1 . . . . 43 ASP CB . 11306 1 468 . 1 1 43 43 ASP N N 15 119.245 0.300 . 1 . . . . 43 ASP N . 11306 1 469 . 1 1 44 44 MET H H 1 7.961 0.030 . 1 . . . . 44 MET H . 11306 1 470 . 1 1 44 44 MET HA H 1 4.665 0.030 . 1 . . . . 44 MET HA . 11306 1 471 . 1 1 44 44 MET HB2 H 1 2.135 0.030 . 2 . . . . 44 MET HB2 . 11306 1 472 . 1 1 44 44 MET HB3 H 1 2.367 0.030 . 2 . . . . 44 MET HB3 . 11306 1 473 . 1 1 44 44 MET HE1 H 1 2.070 0.030 . 1 . . . . 44 MET HE . 11306 1 474 . 1 1 44 44 MET HE2 H 1 2.070 0.030 . 1 . . . . 44 MET HE . 11306 1 475 . 1 1 44 44 MET HE3 H 1 2.070 0.030 . 1 . . . . 44 MET HE . 11306 1 476 . 1 1 44 44 MET HG2 H 1 2.636 0.030 . 1 . . . . 44 MET HG2 . 11306 1 477 . 1 1 44 44 MET HG3 H 1 2.636 0.030 . 1 . . . . 44 MET HG3 . 11306 1 478 . 1 1 44 44 MET C C 13 178.301 0.300 . 1 . . . . 44 MET C . 11306 1 479 . 1 1 44 44 MET CA C 13 58.357 0.300 . 1 . . . . 44 MET CA . 11306 1 480 . 1 1 44 44 MET CB C 13 36.259 0.300 . 1 . . . . 44 MET CB . 11306 1 481 . 1 1 44 44 MET CE C 13 19.415 0.300 . 1 . . . . 44 MET CE . 11306 1 482 . 1 1 44 44 MET CG C 13 34.447 0.300 . 1 . . . . 44 MET CG . 11306 1 483 . 1 1 44 44 MET N N 15 118.349 0.300 . 1 . . . . 44 MET N . 11306 1 484 . 1 1 45 45 THR H H 1 7.913 0.030 . 1 . . . . 45 THR H . 11306 1 485 . 1 1 45 45 THR HA H 1 4.570 0.030 . 1 . . . . 45 THR HA . 11306 1 486 . 1 1 45 45 THR HB H 1 4.196 0.030 . 1 . . . . 45 THR HB . 11306 1 487 . 1 1 45 45 THR HG21 H 1 1.289 0.030 . 1 . . . . 45 THR HG2 . 11306 1 488 . 1 1 45 45 THR HG22 H 1 1.289 0.030 . 1 . . . . 45 THR HG2 . 11306 1 489 . 1 1 45 45 THR HG23 H 1 1.289 0.030 . 1 . . . . 45 THR HG2 . 11306 1 490 . 1 1 45 45 THR C C 13 175.513 0.300 . 1 . . . . 45 THR C . 11306 1 491 . 1 1 45 45 THR CA C 13 63.958 0.300 . 1 . . . . 45 THR CA . 11306 1 492 . 1 1 45 45 THR CB C 13 72.675 0.300 . 1 . . . . 45 THR CB . 11306 1 493 . 1 1 45 45 THR CG2 C 13 23.431 0.300 . 1 . . . . 45 THR CG2 . 11306 1 494 . 1 1 45 45 THR N N 15 114.543 0.300 . 1 . . . . 45 THR N . 11306 1 495 . 1 1 46 46 ASP H H 1 8.499 0.030 . 1 . . . . 46 ASP H . 11306 1 496 . 1 1 46 46 ASP HA H 1 4.797 0.030 . 1 . . . . 46 ASP HA . 11306 1 497 . 1 1 46 46 ASP HB2 H 1 2.698 0.030 . 2 . . . . 46 ASP HB2 . 11306 1 498 . 1 1 46 46 ASP HB3 H 1 2.804 0.030 . 2 . . . . 46 ASP HB3 . 11306 1 499 . 1 1 46 46 ASP C C 13 178.185 0.300 . 1 . . . . 46 ASP C . 11306 1 500 . 1 1 46 46 ASP CA C 13 56.350 0.300 . 1 . . . . 46 ASP CA . 11306 1 501 . 1 1 46 46 ASP CB C 13 43.807 0.300 . 1 . . . . 46 ASP CB . 11306 1 502 . 1 1 46 46 ASP N N 15 123.315 0.300 . 1 . . . . 46 ASP N . 11306 1 503 . 1 1 47 47 SER H H 1 8.278 0.030 . 1 . . . . 47 SER H . 11306 1 504 . 1 1 47 47 SER HA H 1 4.525 0.030 . 1 . . . . 47 SER HA . 11306 1 505 . 1 1 47 47 SER HB2 H 1 3.819 0.030 . 2 . . . . 47 SER HB2 . 11306 1 506 . 1 1 47 47 SER HB3 H 1 3.930 0.030 . 2 . . . . 47 SER HB3 . 11306 1 507 . 1 1 47 47 SER C C 13 177.580 0.300 . 1 . . . . 47 SER C . 11306 1 508 . 1 1 47 47 SER CA C 13 60.481 0.300 . 1 . . . . 47 SER CA . 11306 1 509 . 1 1 47 47 SER CB C 13 66.712 0.300 . 1 . . . . 47 SER CB . 11306 1 510 . 1 1 47 47 SER N N 15 115.875 0.300 . 1 . . . . 47 SER N . 11306 1 511 . 1 1 48 48 LYS H H 1 8.998 0.030 . 1 . . . . 48 LYS H . 11306 1 512 . 1 1 48 48 LYS HA H 1 4.488 0.030 . 1 . . . . 48 LYS HA . 11306 1 513 . 1 1 48 48 LYS HB2 H 1 1.853 0.030 . 2 . . . . 48 LYS HB2 . 11306 1 514 . 1 1 48 48 LYS HB3 H 1 2.003 0.030 . 2 . . . . 48 LYS HB3 . 11306 1 515 . 1 1 48 48 LYS HD2 H 1 1.750 0.030 . 1 . . . . 48 LYS HD2 . 11306 1 516 . 1 1 48 48 LYS HD3 H 1 1.750 0.030 . 1 . . . . 48 LYS HD3 . 11306 1 517 . 1 1 48 48 LYS HE2 H 1 3.068 0.030 . 1 . . . . 48 LYS HE2 . 11306 1 518 . 1 1 48 48 LYS HE3 H 1 3.068 0.030 . 1 . . . . 48 LYS HE3 . 11306 1 519 . 1 1 48 48 LYS HG2 H 1 1.528 0.030 . 1 . . . . 48 LYS HG2 . 11306 1 520 . 1 1 48 48 LYS HG3 H 1 1.528 0.030 . 1 . . . . 48 LYS HG3 . 11306 1 521 . 1 1 48 48 LYS C C 13 179.359 0.300 . 1 . . . . 48 LYS C . 11306 1 522 . 1 1 48 48 LYS CA C 13 58.642 0.300 . 1 . . . . 48 LYS CA . 11306 1 523 . 1 1 48 48 LYS CB C 13 34.767 0.300 . 1 . . . . 48 LYS CB . 11306 1 524 . 1 1 48 48 LYS CD C 13 31.176 0.300 . 1 . . . . 48 LYS CD . 11306 1 525 . 1 1 48 48 LYS CE C 13 44.567 0.300 . 1 . . . . 48 LYS CE . 11306 1 526 . 1 1 48 48 LYS CG C 13 27.026 0.300 . 1 . . . . 48 LYS CG . 11306 1 527 . 1 1 48 48 LYS N N 15 125.529 0.300 . 1 . . . . 48 LYS N . 11306 1 528 . 1 1 49 49 ALA H H 1 8.407 0.030 . 1 . . . . 49 ALA H . 11306 1 529 . 1 1 49 49 ALA HA H 1 4.401 0.030 . 1 . . . . 49 ALA HA . 11306 1 530 . 1 1 49 49 ALA HB1 H 1 1.414 0.030 . 1 . . . . 49 ALA HB . 11306 1 531 . 1 1 49 49 ALA HB2 H 1 1.414 0.030 . 1 . . . . 49 ALA HB . 11306 1 532 . 1 1 49 49 ALA HB3 H 1 1.414 0.030 . 1 . . . . 49 ALA HB . 11306 1 533 . 1 1 49 49 ALA C C 13 179.705 0.300 . 1 . . . . 49 ALA C . 11306 1 534 . 1 1 49 49 ALA CA C 13 55.505 0.300 . 1 . . . . 49 ALA CA . 11306 1 535 . 1 1 49 49 ALA CB C 13 22.448 0.300 . 1 . . . . 49 ALA CB . 11306 1 536 . 1 1 49 49 ALA N N 15 122.099 0.300 . 1 . . . . 49 ALA N . 11306 1 537 . 1 1 50 50 LEU H H 1 7.677 0.030 . 1 . . . . 50 LEU H . 11306 1 538 . 1 1 50 50 LEU HA H 1 4.587 0.030 . 1 . . . . 50 LEU HA . 11306 1 539 . 1 1 50 50 LEU HB2 H 1 1.266 0.030 . 2 . . . . 50 LEU HB2 . 11306 1 540 . 1 1 50 50 LEU HB3 H 1 1.792 0.030 . 2 . . . . 50 LEU HB3 . 11306 1 541 . 1 1 50 50 LEU HD11 H 1 0.880 0.030 . 1 . . . . 50 LEU HD1 . 11306 1 542 . 1 1 50 50 LEU HD12 H 1 0.880 0.030 . 1 . . . . 50 LEU HD1 . 11306 1 543 . 1 1 50 50 LEU HD13 H 1 0.880 0.030 . 1 . . . . 50 LEU HD1 . 11306 1 544 . 1 1 50 50 LEU HD21 H 1 0.868 0.030 . 1 . . . . 50 LEU HD2 . 11306 1 545 . 1 1 50 50 LEU HD22 H 1 0.868 0.030 . 1 . . . . 50 LEU HD2 . 11306 1 546 . 1 1 50 50 LEU HD23 H 1 0.868 0.030 . 1 . . . . 50 LEU HD2 . 11306 1 547 . 1 1 50 50 LEU HG H 1 1.602 0.030 . 1 . . . . 50 LEU HG . 11306 1 548 . 1 1 50 50 LEU C C 13 177.375 0.300 . 1 . . . . 50 LEU C . 11306 1 549 . 1 1 50 50 LEU CA C 13 55.836 0.300 . 1 . . . . 50 LEU CA . 11306 1 550 . 1 1 50 50 LEU CB C 13 45.411 0.300 . 1 . . . . 50 LEU CB . 11306 1 551 . 1 1 50 50 LEU CD1 C 13 28.573 0.300 . 2 . . . . 50 LEU CD1 . 11306 1 552 . 1 1 50 50 LEU CD2 C 13 26.362 0.300 . 2 . . . . 50 LEU CD2 . 11306 1 553 . 1 1 50 50 LEU CG C 13 28.963 0.300 . 1 . . . . 50 LEU CG . 11306 1 554 . 1 1 50 50 LEU N N 15 118.766 0.300 . 1 . . . . 50 LEU N . 11306 1 555 . 1 1 51 51 GLY H H 1 7.968 0.030 . 1 . . . . 51 GLY H . 11306 1 556 . 1 1 51 51 GLY HA2 H 1 4.121 0.030 . 2 . . . . 51 GLY HA2 . 11306 1 557 . 1 1 51 51 GLY HA3 H 1 4.490 0.030 . 2 . . . . 51 GLY HA3 . 11306 1 558 . 1 1 51 51 GLY C C 13 175.645 0.300 . 1 . . . . 51 GLY C . 11306 1 559 . 1 1 51 51 GLY CA C 13 46.968 0.300 . 1 . . . . 51 GLY CA . 11306 1 560 . 1 1 51 51 GLY N N 15 109.024 0.300 . 1 . . . . 51 GLY N . 11306 1 561 . 1 1 52 52 PRO HA H 1 4.447 0.030 . 1 . . . . 52 PRO HA . 11306 1 562 . 1 1 52 52 PRO HB2 H 1 2.089 0.030 . 2 . . . . 52 PRO HB2 . 11306 1 563 . 1 1 52 52 PRO HB3 H 1 2.439 0.030 . 2 . . . . 52 PRO HB3 . 11306 1 564 . 1 1 52 52 PRO HD2 H 1 3.840 0.030 . 2 . . . . 52 PRO HD2 . 11306 1 565 . 1 1 52 52 PRO HD3 H 1 3.888 0.030 . 2 . . . . 52 PRO HD3 . 11306 1 566 . 1 1 52 52 PRO HG2 H 1 2.061 0.030 . 2 . . . . 52 PRO HG2 . 11306 1 567 . 1 1 52 52 PRO HG3 H 1 2.220 0.030 . 2 . . . . 52 PRO HG3 . 11306 1 568 . 1 1 52 52 PRO C C 13 178.132 0.300 . 1 . . . . 52 PRO C . 11306 1 569 . 1 1 52 52 PRO CA C 13 67.049 0.300 . 1 . . . . 52 PRO CA . 11306 1 570 . 1 1 52 52 PRO CB C 13 35.676 0.300 . 1 . . . . 52 PRO CB . 11306 1 571 . 1 1 52 52 PRO CD C 13 52.408 0.300 . 1 . . . . 52 PRO CD . 11306 1 572 . 1 1 52 52 PRO CG C 13 29.591 0.300 . 1 . . . . 52 PRO CG . 11306 1 573 . 1 1 53 53 MET H H 1 8.587 0.030 . 1 . . . . 53 MET H . 11306 1 574 . 1 1 53 53 MET HA H 1 5.006 0.030 . 1 . . . . 53 MET HA . 11306 1 575 . 1 1 53 53 MET HB2 H 1 2.409 0.030 . 2 . . . . 53 MET HB2 . 11306 1 576 . 1 1 53 53 MET HB3 H 1 2.092 0.030 . 2 . . . . 53 MET HB3 . 11306 1 577 . 1 1 53 53 MET HE1 H 1 2.183 0.030 . 1 . . . . 53 MET HE . 11306 1 578 . 1 1 53 53 MET HE2 H 1 2.183 0.030 . 1 . . . . 53 MET HE . 11306 1 579 . 1 1 53 53 MET HE3 H 1 2.183 0.030 . 1 . . . . 53 MET HE . 11306 1 580 . 1 1 53 53 MET HG2 H 1 2.755 0.030 . 2 . . . . 53 MET HG2 . 11306 1 581 . 1 1 53 53 MET HG3 H 1 2.437 0.030 . 2 . . . . 53 MET HG3 . 11306 1 582 . 1 1 53 53 MET C C 13 179.674 0.300 . 1 . . . . 53 MET C . 11306 1 583 . 1 1 53 53 MET CA C 13 55.880 0.300 . 1 . . . . 53 MET CA . 11306 1 584 . 1 1 53 53 MET CB C 13 33.535 0.300 . 1 . . . . 53 MET CB . 11306 1 585 . 1 1 53 53 MET CE C 13 18.582 0.300 . 1 . . . . 53 MET CE . 11306 1 586 . 1 1 53 53 MET CG C 13 34.595 0.300 . 1 . . . . 53 MET CG . 11306 1 587 . 1 1 53 53 MET N N 15 113.276 0.300 . 1 . . . . 53 MET N . 11306 1 588 . 1 1 54 54 VAL H H 1 7.240 0.030 . 1 . . . . 54 VAL H . 11306 1 589 . 1 1 54 54 VAL HA H 1 4.204 0.030 . 1 . . . . 54 VAL HA . 11306 1 590 . 1 1 54 54 VAL HB H 1 2.196 0.030 . 1 . . . . 54 VAL HB . 11306 1 591 . 1 1 54 54 VAL HG11 H 1 1.135 0.030 . 1 . . . . 54 VAL HG1 . 11306 1 592 . 1 1 54 54 VAL HG12 H 1 1.135 0.030 . 1 . . . . 54 VAL HG1 . 11306 1 593 . 1 1 54 54 VAL HG13 H 1 1.135 0.030 . 1 . . . . 54 VAL HG1 . 11306 1 594 . 1 1 54 54 VAL HG21 H 1 1.195 0.030 . 1 . . . . 54 VAL HG2 . 11306 1 595 . 1 1 54 54 VAL HG22 H 1 1.195 0.030 . 1 . . . . 54 VAL HG2 . 11306 1 596 . 1 1 54 54 VAL HG23 H 1 1.195 0.030 . 1 . . . . 54 VAL HG2 . 11306 1 597 . 1 1 54 54 VAL C C 13 178.843 0.300 . 1 . . . . 54 VAL C . 11306 1 598 . 1 1 54 54 VAL CA C 13 65.943 0.300 . 1 . . . . 54 VAL CA . 11306 1 599 . 1 1 54 54 VAL CB C 13 34.216 0.300 . 1 . . . . 54 VAL CB . 11306 1 600 . 1 1 54 54 VAL CG1 C 13 24.009 0.300 . 2 . . . . 54 VAL CG1 . 11306 1 601 . 1 1 54 54 VAL CG2 C 13 24.198 0.300 . 2 . . . . 54 VAL CG2 . 11306 1 602 . 1 1 54 54 VAL N N 15 118.363 0.300 . 1 . . . . 54 VAL N . 11306 1 603 . 1 1 55 55 VAL H H 1 9.758 0.030 . 1 . . . . 55 VAL H . 11306 1 604 . 1 1 55 55 VAL HA H 1 5.003 0.030 . 1 . . . . 55 VAL HA . 11306 1 605 . 1 1 55 55 VAL HB H 1 2.030 0.030 . 1 . . . . 55 VAL HB . 11306 1 606 . 1 1 55 55 VAL HG11 H 1 1.002 0.030 . 1 . . . . 55 VAL HG1 . 11306 1 607 . 1 1 55 55 VAL HG12 H 1 1.002 0.030 . 1 . . . . 55 VAL HG1 . 11306 1 608 . 1 1 55 55 VAL HG13 H 1 1.002 0.030 . 1 . . . . 55 VAL HG1 . 11306 1 609 . 1 1 55 55 VAL HG21 H 1 1.103 0.030 . 1 . . . . 55 VAL HG2 . 11306 1 610 . 1 1 55 55 VAL HG22 H 1 1.103 0.030 . 1 . . . . 55 VAL HG2 . 11306 1 611 . 1 1 55 55 VAL HG23 H 1 1.103 0.030 . 1 . . . . 55 VAL HG2 . 11306 1 612 . 1 1 55 55 VAL C C 13 176.773 0.300 . 1 . . . . 55 VAL C . 11306 1 613 . 1 1 55 55 VAL CA C 13 62.684 0.300 . 1 . . . . 55 VAL CA . 11306 1 614 . 1 1 55 55 VAL CB C 13 37.707 0.300 . 1 . . . . 55 VAL CB . 11306 1 615 . 1 1 55 55 VAL CG1 C 13 25.534 0.300 . 2 . . . . 55 VAL CG1 . 11306 1 616 . 1 1 55 55 VAL CG2 C 13 24.226 0.300 . 2 . . . . 55 VAL CG2 . 11306 1 617 . 1 1 55 55 VAL N N 15 130.679 0.300 . 1 . . . . 55 VAL N . 11306 1 618 . 1 1 56 56 GLY H H 1 8.582 0.030 . 1 . . . . 56 GLY H . 11306 1 619 . 1 1 56 56 GLY HA2 H 1 5.113 0.030 . 2 . . . . 56 GLY HA2 . 11306 1 620 . 1 1 56 56 GLY HA3 H 1 3.614 0.030 . 2 . . . . 56 GLY HA3 . 11306 1 621 . 1 1 56 56 GLY C C 13 172.285 0.300 . 1 . . . . 56 GLY C . 11306 1 622 . 1 1 56 56 GLY CA C 13 47.722 0.300 . 1 . . . . 56 GLY CA . 11306 1 623 . 1 1 56 56 GLY N N 15 109.284 0.300 . 1 . . . . 56 GLY N . 11306 1 624 . 1 1 57 57 ARG H H 1 8.767 0.030 . 1 . . . . 57 ARG H . 11306 1 625 . 1 1 57 57 ARG HA H 1 5.422 0.030 . 1 . . . . 57 ARG HA . 11306 1 626 . 1 1 57 57 ARG HB2 H 1 1.587 0.030 . 2 . . . . 57 ARG HB2 . 11306 1 627 . 1 1 57 57 ARG HB3 H 1 1.624 0.030 . 2 . . . . 57 ARG HB3 . 11306 1 628 . 1 1 57 57 ARG HD2 H 1 3.215 0.030 . 2 . . . . 57 ARG HD2 . 11306 1 629 . 1 1 57 57 ARG HD3 H 1 3.245 0.030 . 2 . . . . 57 ARG HD3 . 11306 1 630 . 1 1 57 57 ARG HE H 1 7.291 0.030 . 1 . . . . 57 ARG HE . 11306 1 631 . 1 1 57 57 ARG HG2 H 1 1.536 0.030 . 2 . . . . 57 ARG HG2 . 11306 1 632 . 1 1 57 57 ARG HG3 H 1 1.680 0.030 . 2 . . . . 57 ARG HG3 . 11306 1 633 . 1 1 57 57 ARG C C 13 178.856 0.300 . 1 . . . . 57 ARG C . 11306 1 634 . 1 1 57 57 ARG CA C 13 55.314 0.300 . 1 . . . . 57 ARG CA . 11306 1 635 . 1 1 57 57 ARG CB C 13 35.824 0.300 . 1 . . . . 57 ARG CB . 11306 1 636 . 1 1 57 57 ARG CD C 13 46.013 0.300 . 1 . . . . 57 ARG CD . 11306 1 637 . 1 1 57 57 ARG CG C 13 29.533 0.300 . 1 . . . . 57 ARG CG . 11306 1 638 . 1 1 57 57 ARG N N 15 116.924 0.300 . 1 . . . . 57 ARG N . 11306 1 639 . 1 1 57 57 ARG NE N 15 110.861 0.300 . 1 . . . . 57 ARG NE . 11306 1 640 . 1 1 58 58 LEU H H 1 8.846 0.030 . 1 . . . . 58 LEU H . 11306 1 641 . 1 1 58 58 LEU HA H 1 4.995 0.030 . 1 . . . . 58 LEU HA . 11306 1 642 . 1 1 58 58 LEU HB2 H 1 1.804 0.030 . 2 . . . . 58 LEU HB2 . 11306 1 643 . 1 1 58 58 LEU HB3 H 1 2.416 0.030 . 2 . . . . 58 LEU HB3 . 11306 1 644 . 1 1 58 58 LEU HD11 H 1 1.221 0.030 . 1 . . . . 58 LEU HD1 . 11306 1 645 . 1 1 58 58 LEU HD12 H 1 1.221 0.030 . 1 . . . . 58 LEU HD1 . 11306 1 646 . 1 1 58 58 LEU HD13 H 1 1.221 0.030 . 1 . . . . 58 LEU HD1 . 11306 1 647 . 1 1 58 58 LEU HD21 H 1 0.407 0.030 . 1 . . . . 58 LEU HD2 . 11306 1 648 . 1 1 58 58 LEU HD22 H 1 0.407 0.030 . 1 . . . . 58 LEU HD2 . 11306 1 649 . 1 1 58 58 LEU HD23 H 1 0.407 0.030 . 1 . . . . 58 LEU HD2 . 11306 1 650 . 1 1 58 58 LEU HG H 1 1.809 0.030 . 1 . . . . 58 LEU HG . 11306 1 651 . 1 1 58 58 LEU C C 13 171.842 0.300 . 1 . . . . 58 LEU C . 11306 1 652 . 1 1 58 58 LEU CA C 13 57.706 0.300 . 1 . . . . 58 LEU CA . 11306 1 653 . 1 1 58 58 LEU CB C 13 44.417 0.300 . 1 . . . . 58 LEU CB . 11306 1 654 . 1 1 58 58 LEU CD1 C 13 29.484 0.300 . 2 . . . . 58 LEU CD1 . 11306 1 655 . 1 1 58 58 LEU CD2 C 13 25.837 0.300 . 2 . . . . 58 LEU CD2 . 11306 1 656 . 1 1 58 58 LEU CG C 13 29.793 0.300 . 1 . . . . 58 LEU CG . 11306 1 657 . 1 1 58 58 LEU N N 15 126.175 0.300 . 1 . . . . 58 LEU N . 11306 1 658 . 1 1 59 59 THR H H 1 7.904 0.030 . 1 . . . . 59 THR H . 11306 1 659 . 1 1 59 59 THR HA H 1 4.018 0.030 . 1 . . . . 59 THR HA . 11306 1 660 . 1 1 59 59 THR HB H 1 4.532 0.030 . 1 . . . . 59 THR HB . 11306 1 661 . 1 1 59 59 THR HG21 H 1 1.318 0.030 . 1 . . . . 59 THR HG2 . 11306 1 662 . 1 1 59 59 THR HG22 H 1 1.318 0.030 . 1 . . . . 59 THR HG2 . 11306 1 663 . 1 1 59 59 THR HG23 H 1 1.318 0.030 . 1 . . . . 59 THR HG2 . 11306 1 664 . 1 1 59 59 THR C C 13 178.699 0.300 . 1 . . . . 59 THR C . 11306 1 665 . 1 1 59 59 THR CA C 13 67.906 0.300 . 1 . . . . 59 THR CA . 11306 1 666 . 1 1 59 59 THR CB C 13 71.335 0.300 . 1 . . . . 59 THR CB . 11306 1 667 . 1 1 59 59 THR CG2 C 13 24.921 0.300 . 1 . . . . 59 THR CG2 . 11306 1 668 . 1 1 59 59 THR N N 15 110.971 0.300 . 1 . . . . 59 THR N . 11306 1 669 . 1 1 60 60 LYS H H 1 7.958 0.030 . 1 . . . . 60 LYS H . 11306 1 670 . 1 1 60 60 LYS HA H 1 4.733 0.030 . 1 . . . . 60 LYS HA . 11306 1 671 . 1 1 60 60 LYS HB2 H 1 1.980 0.030 . 2 . . . . 60 LYS HB2 . 11306 1 672 . 1 1 60 60 LYS HB3 H 1 2.019 0.030 . 2 . . . . 60 LYS HB3 . 11306 1 673 . 1 1 60 60 LYS HD2 H 1 1.524 0.030 . 2 . . . . 60 LYS HD2 . 11306 1 674 . 1 1 60 60 LYS HD3 H 1 1.634 0.030 . 2 . . . . 60 LYS HD3 . 11306 1 675 . 1 1 60 60 LYS HE2 H 1 2.831 0.030 . 1 . . . . 60 LYS HE2 . 11306 1 676 . 1 1 60 60 LYS HE3 H 1 2.831 0.030 . 1 . . . . 60 LYS HE3 . 11306 1 677 . 1 1 60 60 LYS HG2 H 1 1.565 0.030 . 2 . . . . 60 LYS HG2 . 11306 1 678 . 1 1 60 60 LYS HG3 H 1 1.628 0.030 . 2 . . . . 60 LYS HG3 . 11306 1 679 . 1 1 60 60 LYS C C 13 178.995 0.300 . 1 . . . . 60 LYS C . 11306 1 680 . 1 1 60 60 LYS CA C 13 60.346 0.300 . 1 . . . . 60 LYS CA . 11306 1 681 . 1 1 60 60 LYS CB C 13 35.199 0.300 . 1 . . . . 60 LYS CB . 11306 1 682 . 1 1 60 60 LYS CD C 13 31.383 0.300 . 1 . . . . 60 LYS CD . 11306 1 683 . 1 1 60 60 LYS CE C 13 44.042 0.300 . 1 . . . . 60 LYS CE . 11306 1 684 . 1 1 60 60 LYS CG C 13 27.621 0.300 . 1 . . . . 60 LYS CG . 11306 1 685 . 1 1 60 60 LYS N N 15 118.828 0.300 . 1 . . . . 60 LYS N . 11306 1 686 . 1 1 61 61 CYS H H 1 7.390 0.030 . 1 . . . . 61 CYS H . 11306 1 687 . 1 1 61 61 CYS HA H 1 4.823 0.030 . 1 . . . . 61 CYS HA . 11306 1 688 . 1 1 61 61 CYS HB2 H 1 3.225 0.030 . 2 . . . . 61 CYS HB2 . 11306 1 689 . 1 1 61 61 CYS HB3 H 1 2.955 0.030 . 2 . . . . 61 CYS HB3 . 11306 1 690 . 1 1 61 61 CYS C C 13 177.144 0.300 . 1 . . . . 61 CYS C . 11306 1 691 . 1 1 61 61 CYS CA C 13 60.199 0.300 . 1 . . . . 61 CYS CA . 11306 1 692 . 1 1 61 61 CYS CB C 13 35.469 0.300 . 1 . . . . 61 CYS CB . 11306 1 693 . 1 1 61 61 CYS N N 15 114.377 0.300 . 1 . . . . 61 CYS N . 11306 1 694 . 1 1 62 62 SER H H 1 7.720 0.030 . 1 . . . . 62 SER H . 11306 1 695 . 1 1 62 62 SER HA H 1 4.217 0.030 . 1 . . . . 62 SER HA . 11306 1 696 . 1 1 62 62 SER HB2 H 1 4.065 0.030 . 1 . . . . 62 SER HB2 . 11306 1 697 . 1 1 62 62 SER HB3 H 1 4.065 0.030 . 1 . . . . 62 SER HB3 . 11306 1 698 . 1 1 62 62 SER C C 13 175.488 0.300 . 1 . . . . 62 SER C . 11306 1 699 . 1 1 62 62 SER CA C 13 63.039 0.300 . 1 . . . . 62 SER CA . 11306 1 700 . 1 1 62 62 SER CB C 13 64.618 0.300 . 1 . . . . 62 SER CB . 11306 1 701 . 1 1 62 62 SER N N 15 112.922 0.300 . 1 . . . . 62 SER N . 11306 1 702 . 1 1 63 63 HIS H H 1 7.797 0.030 . 1 . . . . 63 HIS H . 11306 1 703 . 1 1 63 63 HIS HA H 1 4.622 0.030 . 1 . . . . 63 HIS HA . 11306 1 704 . 1 1 63 63 HIS HB2 H 1 3.287 0.030 . 2 . . . . 63 HIS HB2 . 11306 1 705 . 1 1 63 63 HIS HB3 H 1 3.559 0.030 . 2 . . . . 63 HIS HB3 . 11306 1 706 . 1 1 63 63 HIS HD2 H 1 7.402 0.030 . 1 . . . . 63 HIS HD2 . 11306 1 707 . 1 1 63 63 HIS HE1 H 1 7.978 0.030 . 1 . . . . 63 HIS HE1 . 11306 1 708 . 1 1 63 63 HIS C C 13 175.206 0.300 . 1 . . . . 63 HIS C . 11306 1 709 . 1 1 63 63 HIS CA C 13 63.075 0.300 . 1 . . . . 63 HIS CA . 11306 1 710 . 1 1 63 63 HIS CB C 13 33.428 0.300 . 1 . . . . 63 HIS CB . 11306 1 711 . 1 1 63 63 HIS CD2 C 13 121.448 0.300 . 1 . . . . 63 HIS CD2 . 11306 1 712 . 1 1 63 63 HIS CE1 C 13 140.531 0.300 . 1 . . . . 63 HIS CE1 . 11306 1 713 . 1 1 63 63 HIS N N 15 123.069 0.300 . 1 . . . . 63 HIS N . 11306 1 714 . 1 1 64 64 ALA H H 1 8.573 0.030 . 1 . . . . 64 ALA H . 11306 1 715 . 1 1 64 64 ALA HA H 1 5.409 0.030 . 1 . . . . 64 ALA HA . 11306 1 716 . 1 1 64 64 ALA HB1 H 1 1.105 0.030 . 1 . . . . 64 ALA HB . 11306 1 717 . 1 1 64 64 ALA HB2 H 1 1.105 0.030 . 1 . . . . 64 ALA HB . 11306 1 718 . 1 1 64 64 ALA HB3 H 1 1.105 0.030 . 1 . . . . 64 ALA HB . 11306 1 719 . 1 1 64 64 ALA C C 13 176.602 0.300 . 1 . . . . 64 ALA C . 11306 1 720 . 1 1 64 64 ALA CA C 13 52.613 0.300 . 1 . . . . 64 ALA CA . 11306 1 721 . 1 1 64 64 ALA CB C 13 24.257 0.300 . 1 . . . . 64 ALA CB . 11306 1 722 . 1 1 64 64 ALA N N 15 125.898 0.300 . 1 . . . . 64 ALA N . 11306 1 723 . 1 1 65 65 PHE H H 1 8.446 0.030 . 1 . . . . 65 PHE H . 11306 1 724 . 1 1 65 65 PHE HA H 1 5.126 0.030 . 1 . . . . 65 PHE HA . 11306 1 725 . 1 1 65 65 PHE HB2 H 1 3.608 0.030 . 2 . . . . 65 PHE HB2 . 11306 1 726 . 1 1 65 65 PHE HB3 H 1 2.267 0.030 . 2 . . . . 65 PHE HB3 . 11306 1 727 . 1 1 65 65 PHE HD1 H 1 7.460 0.030 . 1 . . . . 65 PHE HD1 . 11306 1 728 . 1 1 65 65 PHE HD2 H 1 7.460 0.030 . 1 . . . . 65 PHE HD2 . 11306 1 729 . 1 1 65 65 PHE HE1 H 1 7.457 0.030 . 1 . . . . 65 PHE HE1 . 11306 1 730 . 1 1 65 65 PHE HE2 H 1 7.457 0.030 . 1 . . . . 65 PHE HE2 . 11306 1 731 . 1 1 65 65 PHE HZ H 1 7.478 0.030 . 1 . . . . 65 PHE HZ . 11306 1 732 . 1 1 65 65 PHE C C 13 179.253 0.300 . 1 . . . . 65 PHE C . 11306 1 733 . 1 1 65 65 PHE CA C 13 59.284 0.300 . 1 . . . . 65 PHE CA . 11306 1 734 . 1 1 65 65 PHE CB C 13 48.106 0.300 . 1 . . . . 65 PHE CB . 11306 1 735 . 1 1 65 65 PHE CD1 C 13 133.558 0.300 . 1 . . . . 65 PHE CD1 . 11306 1 736 . 1 1 65 65 PHE CD2 C 13 133.558 0.300 . 1 . . . . 65 PHE CD2 . 11306 1 737 . 1 1 65 65 PHE CE1 C 13 133.570 0.300 . 1 . . . . 65 PHE CE1 . 11306 1 738 . 1 1 65 65 PHE CE2 C 13 133.570 0.300 . 1 . . . . 65 PHE CE2 . 11306 1 739 . 1 1 65 65 PHE CZ C 13 132.107 0.300 . 1 . . . . 65 PHE CZ . 11306 1 740 . 1 1 65 65 PHE N N 15 112.830 0.300 . 1 . . . . 65 PHE N . 11306 1 741 . 1 1 66 66 HIS H H 1 8.193 0.030 . 1 . . . . 66 HIS H . 11306 1 742 . 1 1 66 66 HIS HA H 1 5.172 0.030 . 1 . . . . 66 HIS HA . 11306 1 743 . 1 1 66 66 HIS HB2 H 1 4.492 0.030 . 2 . . . . 66 HIS HB2 . 11306 1 744 . 1 1 66 66 HIS HB3 H 1 3.947 0.030 . 2 . . . . 66 HIS HB3 . 11306 1 745 . 1 1 66 66 HIS HD2 H 1 7.199 0.030 . 1 . . . . 66 HIS HD2 . 11306 1 746 . 1 1 66 66 HIS HE1 H 1 7.402 0.030 . 1 . . . . 66 HIS HE1 . 11306 1 747 . 1 1 66 66 HIS C C 13 180.760 0.300 . 1 . . . . 66 HIS C . 11306 1 748 . 1 1 66 66 HIS CA C 13 61.358 0.300 . 1 . . . . 66 HIS CA . 11306 1 749 . 1 1 66 66 HIS CB C 13 32.841 0.300 . 1 . . . . 66 HIS CB . 11306 1 750 . 1 1 66 66 HIS CD2 C 13 121.957 0.300 . 1 . . . . 66 HIS CD2 . 11306 1 751 . 1 1 66 66 HIS CE1 C 13 141.456 0.300 . 1 . . . . 66 HIS CE1 . 11306 1 752 . 1 1 66 66 HIS N N 15 118.881 0.300 . 1 . . . . 66 HIS N . 11306 1 753 . 1 1 67 67 LEU H H 1 9.217 0.030 . 1 . . . . 67 LEU H . 11306 1 754 . 1 1 67 67 LEU HA H 1 4.130 0.030 . 1 . . . . 67 LEU HA . 11306 1 755 . 1 1 67 67 LEU HB2 H 1 1.455 0.030 . 2 . . . . 67 LEU HB2 . 11306 1 756 . 1 1 67 67 LEU HB3 H 1 1.817 0.030 . 2 . . . . 67 LEU HB3 . 11306 1 757 . 1 1 67 67 LEU HD11 H 1 0.856 0.030 . 1 . . . . 67 LEU HD1 . 11306 1 758 . 1 1 67 67 LEU HD12 H 1 0.856 0.030 . 1 . . . . 67 LEU HD1 . 11306 1 759 . 1 1 67 67 LEU HD13 H 1 0.856 0.030 . 1 . . . . 67 LEU HD1 . 11306 1 760 . 1 1 67 67 LEU HD21 H 1 0.826 0.030 . 1 . . . . 67 LEU HD2 . 11306 1 761 . 1 1 67 67 LEU HD22 H 1 0.826 0.030 . 1 . . . . 67 LEU HD2 . 11306 1 762 . 1 1 67 67 LEU HD23 H 1 0.826 0.030 . 1 . . . . 67 LEU HD2 . 11306 1 763 . 1 1 67 67 LEU HG H 1 1.632 0.030 . 1 . . . . 67 LEU HG . 11306 1 764 . 1 1 67 67 LEU C C 13 181.335 0.300 . 1 . . . . 67 LEU C . 11306 1 765 . 1 1 67 67 LEU CA C 13 61.174 0.300 . 1 . . . . 67 LEU CA . 11306 1 766 . 1 1 67 67 LEU CB C 13 42.784 0.300 . 1 . . . . 67 LEU CB . 11306 1 767 . 1 1 67 67 LEU CD1 C 13 28.571 0.300 . 2 . . . . 67 LEU CD1 . 11306 1 768 . 1 1 67 67 LEU CD2 C 13 25.415 0.300 . 2 . . . . 67 LEU CD2 . 11306 1 769 . 1 1 67 67 LEU CG C 13 30.348 0.300 . 1 . . . . 67 LEU CG . 11306 1 770 . 1 1 67 67 LEU N N 15 127.370 0.300 . 1 . . . . 67 LEU N . 11306 1 771 . 1 1 68 68 LEU H H 1 10.267 0.030 . 1 . . . . 68 LEU H . 11306 1 772 . 1 1 68 68 LEU HA H 1 4.095 0.030 . 1 . . . . 68 LEU HA . 11306 1 773 . 1 1 68 68 LEU HB2 H 1 1.615 0.030 . 2 . . . . 68 LEU HB2 . 11306 1 774 . 1 1 68 68 LEU HB3 H 1 1.703 0.030 . 2 . . . . 68 LEU HB3 . 11306 1 775 . 1 1 68 68 LEU HD11 H 1 0.939 0.030 . 1 . . . . 68 LEU HD1 . 11306 1 776 . 1 1 68 68 LEU HD12 H 1 0.939 0.030 . 1 . . . . 68 LEU HD1 . 11306 1 777 . 1 1 68 68 LEU HD13 H 1 0.939 0.030 . 1 . . . . 68 LEU HD1 . 11306 1 778 . 1 1 68 68 LEU HD21 H 1 1.040 0.030 . 1 . . . . 68 LEU HD2 . 11306 1 779 . 1 1 68 68 LEU HD22 H 1 1.040 0.030 . 1 . . . . 68 LEU HD2 . 11306 1 780 . 1 1 68 68 LEU HD23 H 1 1.040 0.030 . 1 . . . . 68 LEU HD2 . 11306 1 781 . 1 1 68 68 LEU HG H 1 1.659 0.030 . 1 . . . . 68 LEU HG . 11306 1 782 . 1 1 68 68 LEU C C 13 180.866 0.300 . 1 . . . . 68 LEU C . 11306 1 783 . 1 1 68 68 LEU CA C 13 59.773 0.300 . 1 . . . . 68 LEU CA . 11306 1 784 . 1 1 68 68 LEU CB C 13 44.687 0.300 . 1 . . . . 68 LEU CB . 11306 1 785 . 1 1 68 68 LEU CD1 C 13 27.642 0.300 . 2 . . . . 68 LEU CD1 . 11306 1 786 . 1 1 68 68 LEU CD2 C 13 26.541 0.300 . 2 . . . . 68 LEU CD2 . 11306 1 787 . 1 1 68 68 LEU CG C 13 29.387 0.300 . 1 . . . . 68 LEU CG . 11306 1 788 . 1 1 68 68 LEU N N 15 120.506 0.300 . 1 . . . . 68 LEU N . 11306 1 789 . 1 1 69 69 CYS H H 1 6.834 0.030 . 1 . . . . 69 CYS H . 11306 1 790 . 1 1 69 69 CYS HA H 1 4.019 0.030 . 1 . . . . 69 CYS HA . 11306 1 791 . 1 1 69 69 CYS HB2 H 1 3.067 0.030 . 2 . . . . 69 CYS HB2 . 11306 1 792 . 1 1 69 69 CYS HB3 H 1 3.567 0.030 . 2 . . . . 69 CYS HB3 . 11306 1 793 . 1 1 69 69 CYS C C 13 179.676 0.300 . 1 . . . . 69 CYS C . 11306 1 794 . 1 1 69 69 CYS CA C 13 65.790 0.300 . 1 . . . . 69 CYS CA . 11306 1 795 . 1 1 69 69 CYS CB C 13 30.947 0.300 . 1 . . . . 69 CYS CB . 11306 1 796 . 1 1 69 69 CYS N N 15 116.833 0.300 . 1 . . . . 69 CYS N . 11306 1 797 . 1 1 70 70 LEU H H 1 7.412 0.030 . 1 . . . . 70 LEU H . 11306 1 798 . 1 1 70 70 LEU HA H 1 3.874 0.030 . 1 . . . . 70 LEU HA . 11306 1 799 . 1 1 70 70 LEU HB2 H 1 1.354 0.030 . 2 . . . . 70 LEU HB2 . 11306 1 800 . 1 1 70 70 LEU HB3 H 1 1.918 0.030 . 2 . . . . 70 LEU HB3 . 11306 1 801 . 1 1 70 70 LEU HD11 H 1 0.768 0.030 . 1 . . . . 70 LEU HD1 . 11306 1 802 . 1 1 70 70 LEU HD12 H 1 0.768 0.030 . 1 . . . . 70 LEU HD1 . 11306 1 803 . 1 1 70 70 LEU HD13 H 1 0.768 0.030 . 1 . . . . 70 LEU HD1 . 11306 1 804 . 1 1 70 70 LEU HD21 H 1 0.433 0.030 . 1 . . . . 70 LEU HD2 . 11306 1 805 . 1 1 70 70 LEU HD22 H 1 0.433 0.030 . 1 . . . . 70 LEU HD2 . 11306 1 806 . 1 1 70 70 LEU HD23 H 1 0.433 0.030 . 1 . . . . 70 LEU HD2 . 11306 1 807 . 1 1 70 70 LEU HG H 1 1.488 0.030 . 1 . . . . 70 LEU HG . 11306 1 808 . 1 1 70 70 LEU C C 13 180.628 0.300 . 1 . . . . 70 LEU C . 11306 1 809 . 1 1 70 70 LEU CA C 13 60.038 0.300 . 1 . . . . 70 LEU CA . 11306 1 810 . 1 1 70 70 LEU CB C 13 45.145 0.300 . 1 . . . . 70 LEU CB . 11306 1 811 . 1 1 70 70 LEU CD1 C 13 28.242 0.300 . 2 . . . . 70 LEU CD1 . 11306 1 812 . 1 1 70 70 LEU CD2 C 13 25.526 0.300 . 2 . . . . 70 LEU CD2 . 11306 1 813 . 1 1 70 70 LEU CG C 13 28.825 0.300 . 1 . . . . 70 LEU CG . 11306 1 814 . 1 1 70 70 LEU N N 15 119.399 0.300 . 1 . . . . 70 LEU N . 11306 1 815 . 1 1 71 71 LEU H H 1 8.314 0.030 . 1 . . . . 71 LEU H . 11306 1 816 . 1 1 71 71 LEU HA H 1 3.984 0.030 . 1 . . . . 71 LEU HA . 11306 1 817 . 1 1 71 71 LEU HB2 H 1 1.452 0.030 . 2 . . . . 71 LEU HB2 . 11306 1 818 . 1 1 71 71 LEU HB3 H 1 2.272 0.030 . 2 . . . . 71 LEU HB3 . 11306 1 819 . 1 1 71 71 LEU HD11 H 1 1.056 0.030 . 1 . . . . 71 LEU HD1 . 11306 1 820 . 1 1 71 71 LEU HD12 H 1 1.056 0.030 . 1 . . . . 71 LEU HD1 . 11306 1 821 . 1 1 71 71 LEU HD13 H 1 1.056 0.030 . 1 . . . . 71 LEU HD1 . 11306 1 822 . 1 1 71 71 LEU HD21 H 1 0.908 0.030 . 1 . . . . 71 LEU HD2 . 11306 1 823 . 1 1 71 71 LEU HD22 H 1 0.908 0.030 . 1 . . . . 71 LEU HD2 . 11306 1 824 . 1 1 71 71 LEU HD23 H 1 0.908 0.030 . 1 . . . . 71 LEU HD2 . 11306 1 825 . 1 1 71 71 LEU HG H 1 1.726 0.030 . 1 . . . . 71 LEU HG . 11306 1 826 . 1 1 71 71 LEU C C 13 180.237 0.300 . 1 . . . . 71 LEU C . 11306 1 827 . 1 1 71 71 LEU CA C 13 60.870 0.300 . 1 . . . . 71 LEU CA . 11306 1 828 . 1 1 71 71 LEU CB C 13 44.230 0.300 . 1 . . . . 71 LEU CB . 11306 1 829 . 1 1 71 71 LEU CD1 C 13 28.875 0.300 . 2 . . . . 71 LEU CD1 . 11306 1 830 . 1 1 71 71 LEU CD2 C 13 27.251 0.300 . 2 . . . . 71 LEU CD2 . 11306 1 831 . 1 1 71 71 LEU CG C 13 29.333 0.300 . 1 . . . . 71 LEU CG . 11306 1 832 . 1 1 71 71 LEU N N 15 120.304 0.300 . 1 . . . . 71 LEU N . 11306 1 833 . 1 1 72 72 ALA H H 1 8.294 0.030 . 1 . . . . 72 ALA H . 11306 1 834 . 1 1 72 72 ALA HA H 1 3.880 0.030 . 1 . . . . 72 ALA HA . 11306 1 835 . 1 1 72 72 ALA HB1 H 1 1.047 0.030 . 1 . . . . 72 ALA HB . 11306 1 836 . 1 1 72 72 ALA HB2 H 1 1.047 0.030 . 1 . . . . 72 ALA HB . 11306 1 837 . 1 1 72 72 ALA HB3 H 1 1.047 0.030 . 1 . . . . 72 ALA HB . 11306 1 838 . 1 1 72 72 ALA C C 13 182.294 0.300 . 1 . . . . 72 ALA C . 11306 1 839 . 1 1 72 72 ALA CA C 13 57.625 0.300 . 1 . . . . 72 ALA CA . 11306 1 840 . 1 1 72 72 ALA CB C 13 19.685 0.300 . 1 . . . . 72 ALA CB . 11306 1 841 . 1 1 72 72 ALA N N 15 123.077 0.300 . 1 . . . . 72 ALA N . 11306 1 842 . 1 1 73 73 MET H H 1 7.997 0.030 . 1 . . . . 73 MET H . 11306 1 843 . 1 1 73 73 MET HA H 1 4.084 0.030 . 1 . . . . 73 MET HA . 11306 1 844 . 1 1 73 73 MET HB2 H 1 2.174 0.030 . 2 . . . . 73 MET HB2 . 11306 1 845 . 1 1 73 73 MET HB3 H 1 2.253 0.030 . 2 . . . . 73 MET HB3 . 11306 1 846 . 1 1 73 73 MET HE1 H 1 2.101 0.030 . 1 . . . . 73 MET HE . 11306 1 847 . 1 1 73 73 MET HE2 H 1 2.101 0.030 . 1 . . . . 73 MET HE . 11306 1 848 . 1 1 73 73 MET HE3 H 1 2.101 0.030 . 1 . . . . 73 MET HE . 11306 1 849 . 1 1 73 73 MET HG2 H 1 2.397 0.030 . 2 . . . . 73 MET HG2 . 11306 1 850 . 1 1 73 73 MET HG3 H 1 2.715 0.030 . 2 . . . . 73 MET HG3 . 11306 1 851 . 1 1 73 73 MET C C 13 182.069 0.300 . 1 . . . . 73 MET C . 11306 1 852 . 1 1 73 73 MET CA C 13 60.799 0.300 . 1 . . . . 73 MET CA . 11306 1 853 . 1 1 73 73 MET CB C 13 35.501 0.300 . 1 . . . . 73 MET CB . 11306 1 854 . 1 1 73 73 MET CE C 13 20.289 0.300 . 1 . . . . 73 MET CE . 11306 1 855 . 1 1 73 73 MET CG C 13 34.305 0.300 . 1 . . . . 73 MET CG . 11306 1 856 . 1 1 73 73 MET N N 15 117.329 0.300 . 1 . . . . 73 MET N . 11306 1 857 . 1 1 74 74 TYR H H 1 8.857 0.030 . 1 . . . . 74 TYR H . 11306 1 858 . 1 1 74 74 TYR HA H 1 4.224 0.030 . 1 . . . . 74 TYR HA . 11306 1 859 . 1 1 74 74 TYR HB2 H 1 3.294 0.030 . 2 . . . . 74 TYR HB2 . 11306 1 860 . 1 1 74 74 TYR HB3 H 1 3.109 0.030 . 2 . . . . 74 TYR HB3 . 11306 1 861 . 1 1 74 74 TYR HD1 H 1 7.218 0.030 . 1 . . . . 74 TYR HD1 . 11306 1 862 . 1 1 74 74 TYR HD2 H 1 7.218 0.030 . 1 . . . . 74 TYR HD2 . 11306 1 863 . 1 1 74 74 TYR HE1 H 1 6.996 0.030 . 1 . . . . 74 TYR HE1 . 11306 1 864 . 1 1 74 74 TYR HE2 H 1 6.996 0.030 . 1 . . . . 74 TYR HE2 . 11306 1 865 . 1 1 74 74 TYR C C 13 181.388 0.300 . 1 . . . . 74 TYR C . 11306 1 866 . 1 1 74 74 TYR CA C 13 64.036 0.300 . 1 . . . . 74 TYR CA . 11306 1 867 . 1 1 74 74 TYR CB C 13 41.567 0.300 . 1 . . . . 74 TYR CB . 11306 1 868 . 1 1 74 74 TYR CD1 C 13 135.406 0.300 . 1 . . . . 74 TYR CD1 . 11306 1 869 . 1 1 74 74 TYR CD2 C 13 135.406 0.300 . 1 . . . . 74 TYR CD2 . 11306 1 870 . 1 1 74 74 TYR CE1 C 13 120.688 0.300 . 1 . . . . 74 TYR CE1 . 11306 1 871 . 1 1 74 74 TYR CE2 C 13 120.688 0.300 . 1 . . . . 74 TYR CE2 . 11306 1 872 . 1 1 74 74 TYR N N 15 122.339 0.300 . 1 . . . . 74 TYR N . 11306 1 873 . 1 1 75 75 CYS H H 1 8.870 0.030 . 1 . . . . 75 CYS H . 11306 1 874 . 1 1 75 75 CYS HA H 1 3.992 0.030 . 1 . . . . 75 CYS HA . 11306 1 875 . 1 1 75 75 CYS HB2 H 1 3.064 0.030 . 2 . . . . 75 CYS HB2 . 11306 1 876 . 1 1 75 75 CYS HB3 H 1 3.183 0.030 . 2 . . . . 75 CYS HB3 . 11306 1 877 . 1 1 75 75 CYS C C 13 176.668 0.300 . 1 . . . . 75 CYS C . 11306 1 878 . 1 1 75 75 CYS CA C 13 65.642 0.300 . 1 . . . . 75 CYS CA . 11306 1 879 . 1 1 75 75 CYS CB C 13 29.188 0.300 . 1 . . . . 75 CYS CB . 11306 1 880 . 1 1 75 75 CYS N N 15 116.000 0.300 . 1 . . . . 75 CYS N . 11306 1 881 . 1 1 76 76 ASN H H 1 7.527 0.030 . 1 . . . . 76 ASN H . 11306 1 882 . 1 1 76 76 ASN HA H 1 4.905 0.030 . 1 . . . . 76 ASN HA . 11306 1 883 . 1 1 76 76 ASN HB2 H 1 2.998 0.030 . 2 . . . . 76 ASN HB2 . 11306 1 884 . 1 1 76 76 ASN HB3 H 1 2.831 0.030 . 2 . . . . 76 ASN HB3 . 11306 1 885 . 1 1 76 76 ASN HD21 H 1 7.627 0.030 . 2 . . . . 76 ASN HD21 . 11306 1 886 . 1 1 76 76 ASN HD22 H 1 6.932 0.030 . 2 . . . . 76 ASN HD22 . 11306 1 887 . 1 1 76 76 ASN C C 13 177.910 0.300 . 1 . . . . 76 ASN C . 11306 1 888 . 1 1 76 76 ASN CA C 13 55.657 0.300 . 1 . . . . 76 ASN CA . 11306 1 889 . 1 1 76 76 ASN CB C 13 41.535 0.300 . 1 . . . . 76 ASN CB . 11306 1 890 . 1 1 76 76 ASN N N 15 117.211 0.300 . 1 . . . . 76 ASN N . 11306 1 891 . 1 1 76 76 ASN ND2 N 15 112.401 0.300 . 1 . . . . 76 ASN ND2 . 11306 1 892 . 1 1 77 77 GLY H H 1 7.254 0.030 . 1 . . . . 77 GLY H . 11306 1 893 . 1 1 77 77 GLY HA2 H 1 3.914 0.030 . 2 . . . . 77 GLY HA2 . 11306 1 894 . 1 1 77 77 GLY HA3 H 1 4.495 0.030 . 2 . . . . 77 GLY HA3 . 11306 1 895 . 1 1 77 77 GLY C C 13 175.768 0.300 . 1 . . . . 77 GLY C . 11306 1 896 . 1 1 77 77 GLY CA C 13 46.876 0.300 . 1 . . . . 77 GLY CA . 11306 1 897 . 1 1 77 77 GLY N N 15 108.646 0.300 . 1 . . . . 77 GLY N . 11306 1 898 . 1 1 78 78 ASN H H 1 8.457 0.030 . 1 . . . . 78 ASN H . 11306 1 899 . 1 1 78 78 ASN HA H 1 4.462 0.030 . 1 . . . . 78 ASN HA . 11306 1 900 . 1 1 78 78 ASN HB2 H 1 2.823 0.030 . 1 . . . . 78 ASN HB2 . 11306 1 901 . 1 1 78 78 ASN HB3 H 1 2.823 0.030 . 1 . . . . 78 ASN HB3 . 11306 1 902 . 1 1 78 78 ASN HD21 H 1 6.852 0.030 . 2 . . . . 78 ASN HD21 . 11306 1 903 . 1 1 78 78 ASN HD22 H 1 7.600 0.030 . 2 . . . . 78 ASN HD22 . 11306 1 904 . 1 1 78 78 ASN C C 13 178.215 0.300 . 1 . . . . 78 ASN C . 11306 1 905 . 1 1 78 78 ASN CA C 13 56.126 0.300 . 1 . . . . 78 ASN CA . 11306 1 906 . 1 1 78 78 ASN CB C 13 40.251 0.300 . 1 . . . . 78 ASN CB . 11306 1 907 . 1 1 78 78 ASN N N 15 119.149 0.300 . 1 . . . . 78 ASN N . 11306 1 908 . 1 1 78 78 ASN ND2 N 15 111.810 0.300 . 1 . . . . 78 ASN ND2 . 11306 1 909 . 1 1 79 79 LYS H H 1 9.204 0.030 . 1 . . . . 79 LYS H . 11306 1 910 . 1 1 79 79 LYS HA H 1 3.423 0.030 . 1 . . . . 79 LYS HA . 11306 1 911 . 1 1 79 79 LYS HB2 H 1 1.819 0.030 . 2 . . . . 79 LYS HB2 . 11306 1 912 . 1 1 79 79 LYS HB3 H 1 1.964 0.030 . 2 . . . . 79 LYS HB3 . 11306 1 913 . 1 1 79 79 LYS HD2 H 1 1.774 0.030 . 2 . . . . 79 LYS HD2 . 11306 1 914 . 1 1 79 79 LYS HD3 H 1 1.882 0.030 . 2 . . . . 79 LYS HD3 . 11306 1 915 . 1 1 79 79 LYS HE2 H 1 3.126 0.030 . 1 . . . . 79 LYS HE2 . 11306 1 916 . 1 1 79 79 LYS HE3 H 1 3.126 0.030 . 1 . . . . 79 LYS HE3 . 11306 1 917 . 1 1 79 79 LYS HG2 H 1 1.048 0.030 . 2 . . . . 79 LYS HG2 . 11306 1 918 . 1 1 79 79 LYS HG3 H 1 1.211 0.030 . 2 . . . . 79 LYS HG3 . 11306 1 919 . 1 1 79 79 LYS C C 13 178.520 0.300 . 1 . . . . 79 LYS C . 11306 1 920 . 1 1 79 79 LYS CA C 13 58.989 0.300 . 1 . . . . 79 LYS CA . 11306 1 921 . 1 1 79 79 LYS CB C 13 31.407 0.300 . 1 . . . . 79 LYS CB . 11306 1 922 . 1 1 79 79 LYS CD C 13 31.706 0.300 . 1 . . . . 79 LYS CD . 11306 1 923 . 1 1 79 79 LYS CE C 13 43.990 0.300 . 1 . . . . 79 LYS CE . 11306 1 924 . 1 1 79 79 LYS CG C 13 26.297 0.300 . 1 . . . . 79 LYS CG . 11306 1 925 . 1 1 79 79 LYS N N 15 119.399 0.300 . 1 . . . . 79 LYS N . 11306 1 926 . 1 1 80 80 ASP H H 1 8.059 0.030 . 1 . . . . 80 ASP H . 11306 1 927 . 1 1 80 80 ASP HA H 1 4.743 0.030 . 1 . . . . 80 ASP HA . 11306 1 928 . 1 1 80 80 ASP HB2 H 1 3.249 0.030 . 2 . . . . 80 ASP HB2 . 11306 1 929 . 1 1 80 80 ASP HB3 H 1 2.415 0.030 . 2 . . . . 80 ASP HB3 . 11306 1 930 . 1 1 80 80 ASP C C 13 179.868 0.300 . 1 . . . . 80 ASP C . 11306 1 931 . 1 1 80 80 ASP CA C 13 55.465 0.300 . 1 . . . . 80 ASP CA . 11306 1 932 . 1 1 80 80 ASP CB C 13 43.669 0.300 . 1 . . . . 80 ASP CB . 11306 1 933 . 1 1 80 80 ASP N N 15 118.041 0.300 . 1 . . . . 80 ASP N . 11306 1 934 . 1 1 81 81 GLY H H 1 8.530 0.030 . 1 . . . . 81 GLY H . 11306 1 935 . 1 1 81 81 GLY HA2 H 1 4.592 0.030 . 2 . . . . 81 GLY HA2 . 11306 1 936 . 1 1 81 81 GLY HA3 H 1 3.833 0.030 . 2 . . . . 81 GLY HA3 . 11306 1 937 . 1 1 81 81 GLY C C 13 175.289 0.300 . 1 . . . . 81 GLY C . 11306 1 938 . 1 1 81 81 GLY CA C 13 47.765 0.300 . 1 . . . . 81 GLY CA . 11306 1 939 . 1 1 81 81 GLY N N 15 108.598 0.300 . 1 . . . . 81 GLY N . 11306 1 940 . 1 1 82 82 SER H H 1 8.622 0.030 . 1 . . . . 82 SER H . 11306 1 941 . 1 1 82 82 SER HA H 1 5.370 0.030 . 1 . . . . 82 SER HA . 11306 1 942 . 1 1 82 82 SER HB2 H 1 3.777 0.030 . 2 . . . . 82 SER HB2 . 11306 1 943 . 1 1 82 82 SER HB3 H 1 3.898 0.030 . 2 . . . . 82 SER HB3 . 11306 1 944 . 1 1 82 82 SER C C 13 175.200 0.300 . 1 . . . . 82 SER C . 11306 1 945 . 1 1 82 82 SER CA C 13 59.432 0.300 . 1 . . . . 82 SER CA . 11306 1 946 . 1 1 82 82 SER CB C 13 68.778 0.300 . 1 . . . . 82 SER CB . 11306 1 947 . 1 1 82 82 SER N N 15 117.835 0.300 . 1 . . . . 82 SER N . 11306 1 948 . 1 1 83 83 LEU H H 1 8.870 0.030 . 1 . . . . 83 LEU H . 11306 1 949 . 1 1 83 83 LEU HA H 1 4.844 0.030 . 1 . . . . 83 LEU HA . 11306 1 950 . 1 1 83 83 LEU HB2 H 1 1.382 0.030 . 2 . . . . 83 LEU HB2 . 11306 1 951 . 1 1 83 83 LEU HB3 H 1 1.645 0.030 . 2 . . . . 83 LEU HB3 . 11306 1 952 . 1 1 83 83 LEU HD11 H 1 0.704 0.030 . 1 . . . . 83 LEU HD1 . 11306 1 953 . 1 1 83 83 LEU HD12 H 1 0.704 0.030 . 1 . . . . 83 LEU HD1 . 11306 1 954 . 1 1 83 83 LEU HD13 H 1 0.704 0.030 . 1 . . . . 83 LEU HD1 . 11306 1 955 . 1 1 83 83 LEU HD21 H 1 0.855 0.030 . 1 . . . . 83 LEU HD2 . 11306 1 956 . 1 1 83 83 LEU HD22 H 1 0.855 0.030 . 1 . . . . 83 LEU HD2 . 11306 1 957 . 1 1 83 83 LEU HD23 H 1 0.855 0.030 . 1 . . . . 83 LEU HD2 . 11306 1 958 . 1 1 83 83 LEU HG H 1 1.480 0.030 . 1 . . . . 83 LEU HG . 11306 1 959 . 1 1 83 83 LEU C C 13 176.186 0.300 . 1 . . . . 83 LEU C . 11306 1 960 . 1 1 83 83 LEU CA C 13 56.501 0.300 . 1 . . . . 83 LEU CA . 11306 1 961 . 1 1 83 83 LEU CB C 13 48.813 0.300 . 1 . . . . 83 LEU CB . 11306 1 962 . 1 1 83 83 LEU CD1 C 13 29.007 0.300 . 2 . . . . 83 LEU CD1 . 11306 1 963 . 1 1 83 83 LEU CD2 C 13 27.544 0.300 . 2 . . . . 83 LEU CD2 . 11306 1 964 . 1 1 83 83 LEU CG C 13 29.364 0.300 . 1 . . . . 83 LEU CG . 11306 1 965 . 1 1 83 83 LEU N N 15 121.228 0.300 . 1 . . . . 83 LEU N . 11306 1 966 . 1 1 84 84 GLN H H 1 8.593 0.030 . 1 . . . . 84 GLN H . 11306 1 967 . 1 1 84 84 GLN HA H 1 5.268 0.030 . 1 . . . . 84 GLN HA . 11306 1 968 . 1 1 84 84 GLN HB2 H 1 1.991 0.030 . 2 . . . . 84 GLN HB2 . 11306 1 969 . 1 1 84 84 GLN HB3 H 1 1.754 0.030 . 2 . . . . 84 GLN HB3 . 11306 1 970 . 1 1 84 84 GLN HE21 H 1 7.160 0.030 . 2 . . . . 84 GLN HE21 . 11306 1 971 . 1 1 84 84 GLN HE22 H 1 7.514 0.030 . 2 . . . . 84 GLN HE22 . 11306 1 972 . 1 1 84 84 GLN HG2 H 1 2.015 0.030 . 1 . . . . 84 GLN HG2 . 11306 1 973 . 1 1 84 84 GLN HG3 H 1 2.015 0.030 . 1 . . . . 84 GLN HG3 . 11306 1 974 . 1 1 84 84 GLN C C 13 177.223 0.300 . 1 . . . . 84 GLN C . 11306 1 975 . 1 1 84 84 GLN CA C 13 55.541 0.300 . 1 . . . . 84 GLN CA . 11306 1 976 . 1 1 84 84 GLN CB C 13 33.773 0.300 . 1 . . . . 84 GLN CB . 11306 1 977 . 1 1 84 84 GLN CG C 13 36.471 0.300 . 1 . . . . 84 GLN CG . 11306 1 978 . 1 1 84 84 GLN N N 15 125.738 0.300 . 1 . . . . 84 GLN N . 11306 1 979 . 1 1 84 84 GLN NE2 N 15 113.238 0.300 . 1 . . . . 84 GLN NE2 . 11306 1 980 . 1 1 85 85 CYS H H 1 9.128 0.030 . 1 . . . . 85 CYS H . 11306 1 981 . 1 1 85 85 CYS HA H 1 4.294 0.030 . 1 . . . . 85 CYS HA . 11306 1 982 . 1 1 85 85 CYS HB2 H 1 3.136 0.030 . 2 . . . . 85 CYS HB2 . 11306 1 983 . 1 1 85 85 CYS HB3 H 1 3.488 0.030 . 2 . . . . 85 CYS HB3 . 11306 1 984 . 1 1 85 85 CYS C C 13 178.431 0.300 . 1 . . . . 85 CYS C . 11306 1 985 . 1 1 85 85 CYS CA C 13 59.469 0.300 . 1 . . . . 85 CYS CA . 11306 1 986 . 1 1 85 85 CYS CB C 13 34.168 0.300 . 1 . . . . 85 CYS CB . 11306 1 987 . 1 1 85 85 CYS N N 15 128.763 0.300 . 1 . . . . 85 CYS N . 11306 1 988 . 1 1 86 86 PRO HA H 1 4.523 0.030 . 1 . . . . 86 PRO HA . 11306 1 989 . 1 1 86 86 PRO HB2 H 1 1.924 0.030 . 2 . . . . 86 PRO HB2 . 11306 1 990 . 1 1 86 86 PRO HB3 H 1 2.373 0.030 . 2 . . . . 86 PRO HB3 . 11306 1 991 . 1 1 86 86 PRO HD2 H 1 3.663 0.030 . 2 . . . . 86 PRO HD2 . 11306 1 992 . 1 1 86 86 PRO HD3 H 1 3.746 0.030 . 2 . . . . 86 PRO HD3 . 11306 1 993 . 1 1 86 86 PRO HG2 H 1 1.662 0.030 . 2 . . . . 86 PRO HG2 . 11306 1 994 . 1 1 86 86 PRO HG3 H 1 1.725 0.030 . 2 . . . . 86 PRO HG3 . 11306 1 995 . 1 1 86 86 PRO C C 13 179.621 0.300 . 1 . . . . 86 PRO C . 11306 1 996 . 1 1 86 86 PRO CA C 13 66.534 0.300 . 1 . . . . 86 PRO CA . 11306 1 997 . 1 1 86 86 PRO CB C 13 34.408 0.300 . 1 . . . . 86 PRO CB . 11306 1 998 . 1 1 86 86 PRO CD C 13 52.435 0.300 . 1 . . . . 86 PRO CD . 11306 1 999 . 1 1 86 86 PRO CG C 13 29.650 0.300 . 1 . . . . 86 PRO CG . 11306 1 1000 . 1 1 87 87 SER H H 1 9.247 0.030 . 1 . . . . 87 SER H . 11306 1 1001 . 1 1 87 87 SER HA H 1 4.498 0.030 . 1 . . . . 87 SER HA . 11306 1 1002 . 1 1 87 87 SER HB2 H 1 3.315 0.030 . 2 . . . . 87 SER HB2 . 11306 1 1003 . 1 1 87 87 SER HB3 H 1 3.444 0.030 . 2 . . . . 87 SER HB3 . 11306 1 1004 . 1 1 87 87 SER C C 13 177.493 0.300 . 1 . . . . 87 SER C . 11306 1 1005 . 1 1 87 87 SER CA C 13 62.907 0.300 . 1 . . . . 87 SER CA . 11306 1 1006 . 1 1 87 87 SER CB C 13 65.321 0.300 . 1 . . . . 87 SER CB . 11306 1 1007 . 1 1 87 87 SER N N 15 116.982 0.300 . 1 . . . . 87 SER N . 11306 1 1008 . 1 1 88 88 CYS H H 1 8.348 0.030 . 1 . . . . 88 CYS H . 11306 1 1009 . 1 1 88 88 CYS HA H 1 5.133 0.030 . 1 . . . . 88 CYS HA . 11306 1 1010 . 1 1 88 88 CYS HB2 H 1 2.935 0.030 . 2 . . . . 88 CYS HB2 . 11306 1 1011 . 1 1 88 88 CYS HB3 H 1 3.613 0.030 . 2 . . . . 88 CYS HB3 . 11306 1 1012 . 1 1 88 88 CYS C C 13 178.066 0.300 . 1 . . . . 88 CYS C . 11306 1 1013 . 1 1 88 88 CYS CA C 13 60.439 0.300 . 1 . . . . 88 CYS CA . 11306 1 1014 . 1 1 88 88 CYS CB C 13 35.156 0.300 . 1 . . . . 88 CYS CB . 11306 1 1015 . 1 1 88 88 CYS N N 15 118.186 0.300 . 1 . . . . 88 CYS N . 11306 1 1016 . 1 1 89 89 LYS H H 1 8.216 0.030 . 1 . . . . 89 LYS H . 11306 1 1017 . 1 1 89 89 LYS HA H 1 4.157 0.030 . 1 . . . . 89 LYS HA . 11306 1 1018 . 1 1 89 89 LYS HB2 H 1 2.360 0.030 . 2 . . . . 89 LYS HB2 . 11306 1 1019 . 1 1 89 89 LYS HB3 H 1 2.059 0.030 . 2 . . . . 89 LYS HB3 . 11306 1 1020 . 1 1 89 89 LYS HD2 H 1 1.570 0.030 . 2 . . . . 89 LYS HD2 . 11306 1 1021 . 1 1 89 89 LYS HD3 H 1 1.674 0.030 . 2 . . . . 89 LYS HD3 . 11306 1 1022 . 1 1 89 89 LYS HE2 H 1 2.997 0.030 . 1 . . . . 89 LYS HE2 . 11306 1 1023 . 1 1 89 89 LYS HE3 H 1 2.997 0.030 . 1 . . . . 89 LYS HE3 . 11306 1 1024 . 1 1 89 89 LYS HG2 H 1 1.259 0.030 . 2 . . . . 89 LYS HG2 . 11306 1 1025 . 1 1 89 89 LYS HG3 H 1 1.463 0.030 . 2 . . . . 89 LYS HG3 . 11306 1 1026 . 1 1 89 89 LYS C C 13 178.122 0.300 . 1 . . . . 89 LYS C . 11306 1 1027 . 1 1 89 89 LYS CA C 13 60.165 0.300 . 1 . . . . 89 LYS CA . 11306 1 1028 . 1 1 89 89 LYS CB C 13 30.996 0.300 . 1 . . . . 89 LYS CB . 11306 1 1029 . 1 1 89 89 LYS CD C 13 30.682 0.300 . 1 . . . . 89 LYS CD . 11306 1 1030 . 1 1 89 89 LYS CE C 13 44.816 0.300 . 1 . . . . 89 LYS CE . 11306 1 1031 . 1 1 89 89 LYS CG C 13 27.556 0.300 . 1 . . . . 89 LYS CG . 11306 1 1032 . 1 1 89 89 LYS N N 15 117.009 0.300 . 1 . . . . 89 LYS N . 11306 1 1033 . 1 1 90 90 THR H H 1 8.254 0.030 . 1 . . . . 90 THR H . 11306 1 1034 . 1 1 90 90 THR HA H 1 4.069 0.030 . 1 . . . . 90 THR HA . 11306 1 1035 . 1 1 90 90 THR HB H 1 4.141 0.030 . 1 . . . . 90 THR HB . 11306 1 1036 . 1 1 90 90 THR HG21 H 1 0.923 0.030 . 1 . . . . 90 THR HG2 . 11306 1 1037 . 1 1 90 90 THR HG22 H 1 0.923 0.030 . 1 . . . . 90 THR HG2 . 11306 1 1038 . 1 1 90 90 THR HG23 H 1 0.923 0.030 . 1 . . . . 90 THR HG2 . 11306 1 1039 . 1 1 90 90 THR C C 13 175.220 0.300 . 1 . . . . 90 THR C . 11306 1 1040 . 1 1 90 90 THR CA C 13 68.296 0.300 . 1 . . . . 90 THR CA . 11306 1 1041 . 1 1 90 90 THR CB C 13 71.343 0.300 . 1 . . . . 90 THR CB . 11306 1 1042 . 1 1 90 90 THR CG2 C 13 23.496 0.300 . 1 . . . . 90 THR CG2 . 11306 1 1043 . 1 1 90 90 THR N N 15 120.577 0.300 . 1 . . . . 90 THR N . 11306 1 1044 . 1 1 91 91 ILE H H 1 8.564 0.030 . 1 . . . . 91 ILE H . 11306 1 1045 . 1 1 91 91 ILE HA H 1 4.465 0.030 . 1 . . . . 91 ILE HA . 11306 1 1046 . 1 1 91 91 ILE HB H 1 1.723 0.030 . 1 . . . . 91 ILE HB . 11306 1 1047 . 1 1 91 91 ILE HD11 H 1 0.918 0.030 . 1 . . . . 91 ILE HD1 . 11306 1 1048 . 1 1 91 91 ILE HD12 H 1 0.918 0.030 . 1 . . . . 91 ILE HD1 . 11306 1 1049 . 1 1 91 91 ILE HD13 H 1 0.918 0.030 . 1 . . . . 91 ILE HD1 . 11306 1 1050 . 1 1 91 91 ILE HG12 H 1 1.007 0.030 . 2 . . . . 91 ILE HG12 . 11306 1 1051 . 1 1 91 91 ILE HG13 H 1 1.817 0.030 . 2 . . . . 91 ILE HG13 . 11306 1 1052 . 1 1 91 91 ILE HG21 H 1 0.820 0.030 . 1 . . . . 91 ILE HG2 . 11306 1 1053 . 1 1 91 91 ILE HG22 H 1 0.820 0.030 . 1 . . . . 91 ILE HG2 . 11306 1 1054 . 1 1 91 91 ILE HG23 H 1 0.820 0.030 . 1 . . . . 91 ILE HG2 . 11306 1 1055 . 1 1 91 91 ILE C C 13 176.834 0.300 . 1 . . . . 91 ILE C . 11306 1 1056 . 1 1 91 91 ILE CA C 13 63.395 0.300 . 1 . . . . 91 ILE CA . 11306 1 1057 . 1 1 91 91 ILE CB C 13 41.461 0.300 . 1 . . . . 91 ILE CB . 11306 1 1058 . 1 1 91 91 ILE CD1 C 13 15.389 0.300 . 1 . . . . 91 ILE CD1 . 11306 1 1059 . 1 1 91 91 ILE CG1 C 13 30.855 0.300 . 1 . . . . 91 ILE CG1 . 11306 1 1060 . 1 1 91 91 ILE CG2 C 13 20.204 0.300 . 1 . . . . 91 ILE CG2 . 11306 1 1061 . 1 1 91 91 ILE N N 15 127.950 0.300 . 1 . . . . 91 ILE N . 11306 1 1062 . 1 1 92 92 TYR H H 1 9.266 0.030 . 1 . . . . 92 TYR H . 11306 1 1063 . 1 1 92 92 TYR HA H 1 4.075 0.030 . 1 . . . . 92 TYR HA . 11306 1 1064 . 1 1 92 92 TYR HB2 H 1 2.432 0.030 . 2 . . . . 92 TYR HB2 . 11306 1 1065 . 1 1 92 92 TYR HB3 H 1 1.288 0.030 . 2 . . . . 92 TYR HB3 . 11306 1 1066 . 1 1 92 92 TYR HD1 H 1 7.192 0.030 . 1 . . . . 92 TYR HD1 . 11306 1 1067 . 1 1 92 92 TYR HD2 H 1 7.192 0.030 . 1 . . . . 92 TYR HD2 . 11306 1 1068 . 1 1 92 92 TYR HE1 H 1 6.839 0.030 . 1 . . . . 92 TYR HE1 . 11306 1 1069 . 1 1 92 92 TYR HE2 H 1 6.839 0.030 . 1 . . . . 92 TYR HE2 . 11306 1 1070 . 1 1 92 92 TYR C C 13 177.098 0.300 . 1 . . . . 92 TYR C . 11306 1 1071 . 1 1 92 92 TYR CA C 13 59.505 0.300 . 1 . . . . 92 TYR CA . 11306 1 1072 . 1 1 92 92 TYR CB C 13 39.920 0.300 . 1 . . . . 92 TYR CB . 11306 1 1073 . 1 1 92 92 TYR CD1 C 13 135.920 0.300 . 1 . . . . 92 TYR CD1 . 11306 1 1074 . 1 1 92 92 TYR CD2 C 13 135.920 0.300 . 1 . . . . 92 TYR CD2 . 11306 1 1075 . 1 1 92 92 TYR CE1 C 13 120.295 0.300 . 1 . . . . 92 TYR CE1 . 11306 1 1076 . 1 1 92 92 TYR CE2 C 13 120.295 0.300 . 1 . . . . 92 TYR CE2 . 11306 1 1077 . 1 1 92 92 TYR N N 15 129.317 0.300 . 1 . . . . 92 TYR N . 11306 1 1078 . 1 1 93 93 GLY H H 1 8.296 0.030 . 1 . . . . 93 GLY H . 11306 1 1079 . 1 1 93 93 GLY HA2 H 1 3.964 0.030 . 2 . . . . 93 GLY HA2 . 11306 1 1080 . 1 1 93 93 GLY HA3 H 1 4.320 0.030 . 2 . . . . 93 GLY HA3 . 11306 1 1081 . 1 1 93 93 GLY C C 13 176.152 0.300 . 1 . . . . 93 GLY C . 11306 1 1082 . 1 1 93 93 GLY CA C 13 47.724 0.300 . 1 . . . . 93 GLY CA . 11306 1 1083 . 1 1 93 93 GLY N N 15 110.035 0.300 . 1 . . . . 93 GLY N . 11306 1 1084 . 1 1 94 94 GLU H H 1 8.226 0.030 . 1 . . . . 94 GLU H . 11306 1 1085 . 1 1 94 94 GLU HA H 1 4.583 0.030 . 1 . . . . 94 GLU HA . 11306 1 1086 . 1 1 94 94 GLU HB2 H 1 2.300 0.030 . 2 . . . . 94 GLU HB2 . 11306 1 1087 . 1 1 94 94 GLU HB3 H 1 2.032 0.030 . 2 . . . . 94 GLU HB3 . 11306 1 1088 . 1 1 94 94 GLU HG2 H 1 2.292 0.030 . 1 . . . . 94 GLU HG2 . 11306 1 1089 . 1 1 94 94 GLU HG3 H 1 2.292 0.030 . 1 . . . . 94 GLU HG3 . 11306 1 1090 . 1 1 94 94 GLU C C 13 178.505 0.300 . 1 . . . . 94 GLU C . 11306 1 1091 . 1 1 94 94 GLU CA C 13 58.523 0.300 . 1 . . . . 94 GLU CA . 11306 1 1092 . 1 1 94 94 GLU CB C 13 31.068 0.300 . 1 . . . . 94 GLU CB . 11306 1 1093 . 1 1 94 94 GLU CG C 13 38.722 0.300 . 1 . . . . 94 GLU CG . 11306 1 1094 . 1 1 94 94 GLU N N 15 119.764 0.300 . 1 . . . . 94 GLU N . 11306 1 1095 . 1 1 95 95 LYS H H 1 8.608 0.030 . 1 . . . . 95 LYS H . 11306 1 1096 . 1 1 95 95 LYS HA H 1 4.357 0.030 . 1 . . . . 95 LYS HA . 11306 1 1097 . 1 1 95 95 LYS HB2 H 1 1.954 0.030 . 2 . . . . 95 LYS HB2 . 11306 1 1098 . 1 1 95 95 LYS HB3 H 1 2.057 0.030 . 2 . . . . 95 LYS HB3 . 11306 1 1099 . 1 1 95 95 LYS HD2 H 1 1.793 0.030 . 1 . . . . 95 LYS HD2 . 11306 1 1100 . 1 1 95 95 LYS HD3 H 1 1.793 0.030 . 1 . . . . 95 LYS HD3 . 11306 1 1101 . 1 1 95 95 LYS HE2 H 1 3.024 0.030 . 1 . . . . 95 LYS HE2 . 11306 1 1102 . 1 1 95 95 LYS HE3 H 1 3.024 0.030 . 1 . . . . 95 LYS HE3 . 11306 1 1103 . 1 1 95 95 LYS HG2 H 1 1.573 0.030 . 2 . . . . 95 LYS HG2 . 11306 1 1104 . 1 1 95 95 LYS HG3 H 1 1.479 0.030 . 2 . . . . 95 LYS HG3 . 11306 1 1105 . 1 1 95 95 LYS C C 13 179.306 0.300 . 1 . . . . 95 LYS C . 11306 1 1106 . 1 1 95 95 LYS CA C 13 58.510 0.300 . 1 . . . . 95 LYS CA . 11306 1 1107 . 1 1 95 95 LYS CB C 13 33.139 0.300 . 1 . . . . 95 LYS CB . 11306 1 1108 . 1 1 95 95 LYS CD C 13 31.497 0.300 . 1 . . . . 95 LYS CD . 11306 1 1109 . 1 1 95 95 LYS CE C 13 44.511 0.300 . 1 . . . . 95 LYS CE . 11306 1 1110 . 1 1 95 95 LYS CG C 13 27.070 0.300 . 1 . . . . 95 LYS CG . 11306 1 1111 . 1 1 95 95 LYS N N 15 123.952 0.300 . 1 . . . . 95 LYS N . 11306 1 1112 . 1 1 96 96 THR H H 1 8.381 0.030 . 1 . . . . 96 THR H . 11306 1 1113 . 1 1 96 96 THR HA H 1 4.435 0.030 . 1 . . . . 96 THR HA . 11306 1 1114 . 1 1 96 96 THR HB H 1 4.312 0.030 . 1 . . . . 96 THR HB . 11306 1 1115 . 1 1 96 96 THR HG21 H 1 1.290 0.030 . 1 . . . . 96 THR HG2 . 11306 1 1116 . 1 1 96 96 THR HG22 H 1 1.290 0.030 . 1 . . . . 96 THR HG2 . 11306 1 1117 . 1 1 96 96 THR HG23 H 1 1.290 0.030 . 1 . . . . 96 THR HG2 . 11306 1 1118 . 1 1 96 96 THR C C 13 177.488 0.300 . 1 . . . . 96 THR C . 11306 1 1119 . 1 1 96 96 THR CA C 13 64.429 0.300 . 1 . . . . 96 THR CA . 11306 1 1120 . 1 1 96 96 THR CB C 13 72.257 0.300 . 1 . . . . 96 THR CB . 11306 1 1121 . 1 1 96 96 THR CG2 C 13 23.954 0.300 . 1 . . . . 96 THR CG2 . 11306 1 1122 . 1 1 96 96 THR N N 15 116.670 0.300 . 1 . . . . 96 THR N . 11306 1 1123 . 1 1 97 97 GLY H H 1 8.586 0.030 . 1 . . . . 97 GLY H . 11306 1 1124 . 1 1 97 97 GLY HA2 H 1 4.124 0.030 . 1 . . . . 97 GLY HA2 . 11306 1 1125 . 1 1 97 97 GLY HA3 H 1 4.124 0.030 . 1 . . . . 97 GLY HA3 . 11306 1 1126 . 1 1 97 97 GLY C C 13 176.648 0.300 . 1 . . . . 97 GLY C . 11306 1 1127 . 1 1 97 97 GLY CA C 13 47.646 0.300 . 1 . . . . 97 GLY CA . 11306 1 1128 . 1 1 97 97 GLY N N 15 111.568 0.300 . 1 . . . . 97 GLY N . 11306 1 1129 . 1 1 98 98 THR H H 1 8.167 0.030 . 1 . . . . 98 THR H . 11306 1 1130 . 1 1 98 98 THR HA H 1 4.404 0.030 . 1 . . . . 98 THR HA . 11306 1 1131 . 1 1 98 98 THR HB H 1 4.271 0.030 . 1 . . . . 98 THR HB . 11306 1 1132 . 1 1 98 98 THR HG21 H 1 1.255 0.030 . 1 . . . . 98 THR HG2 . 11306 1 1133 . 1 1 98 98 THR HG22 H 1 1.255 0.030 . 1 . . . . 98 THR HG2 . 11306 1 1134 . 1 1 98 98 THR HG23 H 1 1.255 0.030 . 1 . . . . 98 THR HG2 . 11306 1 1135 . 1 1 98 98 THR C C 13 176.773 0.300 . 1 . . . . 98 THR C . 11306 1 1136 . 1 1 98 98 THR CA C 13 64.140 0.300 . 1 . . . . 98 THR CA . 11306 1 1137 . 1 1 98 98 THR CB C 13 72.140 0.300 . 1 . . . . 98 THR CB . 11306 1 1138 . 1 1 98 98 THR CG2 C 13 24.005 0.300 . 1 . . . . 98 THR CG2 . 11306 1 1139 . 1 1 98 98 THR N N 15 113.831 0.300 . 1 . . . . 98 THR N . 11306 1 1140 . 1 1 99 99 GLN H H 1 8.462 0.030 . 1 . . . . 99 GLN H . 11306 1 1141 . 1 1 99 99 GLN HA H 1 4.640 0.030 . 1 . . . . 99 GLN HA . 11306 1 1142 . 1 1 99 99 GLN HB2 H 1 1.854 0.030 . 2 . . . . 99 GLN HB2 . 11306 1 1143 . 1 1 99 99 GLN HB3 H 1 1.940 0.030 . 2 . . . . 99 GLN HB3 . 11306 1 1144 . 1 1 99 99 GLN HE21 H 1 7.527 0.030 . 2 . . . . 99 GLN HE21 . 11306 1 1145 . 1 1 99 99 GLN HE22 H 1 6.914 0.030 . 2 . . . . 99 GLN HE22 . 11306 1 1146 . 1 1 99 99 GLN HG2 H 1 2.385 0.030 . 1 . . . . 99 GLN HG2 . 11306 1 1147 . 1 1 99 99 GLN HG3 H 1 2.385 0.030 . 1 . . . . 99 GLN HG3 . 11306 1 1148 . 1 1 99 99 GLN C C 13 176.521 0.300 . 1 . . . . 99 GLN C . 11306 1 1149 . 1 1 99 99 GLN CA C 13 55.984 0.300 . 1 . . . . 99 GLN CA . 11306 1 1150 . 1 1 99 99 GLN CB C 13 30.851 0.300 . 1 . . . . 99 GLN CB . 11306 1 1151 . 1 1 99 99 GLN CG C 13 35.677 0.300 . 1 . . . . 99 GLN CG . 11306 1 1152 . 1 1 99 99 GLN N N 15 123.974 0.300 . 1 . . . . 99 GLN N . 11306 1 1153 . 1 1 99 99 GLN NE2 N 15 112.711 0.300 . 1 . . . . 99 GLN NE2 . 11306 1 1154 . 1 1 100 100 PRO HA H 1 4.457 0.030 . 1 . . . . 100 PRO HA . 11306 1 1155 . 1 1 100 100 PRO HB2 H 1 1.888 0.030 . 2 . . . . 100 PRO HB2 . 11306 1 1156 . 1 1 100 100 PRO HB3 H 1 2.269 0.030 . 2 . . . . 100 PRO HB3 . 11306 1 1157 . 1 1 100 100 PRO HD2 H 1 3.588 0.030 . 2 . . . . 100 PRO HD2 . 11306 1 1158 . 1 1 100 100 PRO HD3 H 1 3.794 0.030 . 2 . . . . 100 PRO HD3 . 11306 1 1159 . 1 1 100 100 PRO HG2 H 1 1.985 0.030 . 2 . . . . 100 PRO HG2 . 11306 1 1160 . 1 1 100 100 PRO HG3 H 1 2.013 0.030 . 2 . . . . 100 PRO HG3 . 11306 1 1161 . 1 1 100 100 PRO CA C 13 65.703 0.300 . 1 . . . . 100 PRO CA . 11306 1 1162 . 1 1 100 100 PRO CB C 13 34.141 0.300 . 1 . . . . 100 PRO CB . 11306 1 1163 . 1 1 100 100 PRO CD C 13 52.864 0.300 . 1 . . . . 100 PRO CD . 11306 1 1164 . 1 1 100 100 PRO CG C 13 29.560 0.300 . 1 . . . . 100 PRO CG . 11306 1 1165 . 1 1 101 101 TRP H H 1 8.073 0.030 . 1 . . . . 101 TRP H . 11306 1 1166 . 1 1 101 101 TRP HA H 1 4.729 0.030 . 1 . . . . 101 TRP HA . 11306 1 1167 . 1 1 101 101 TRP HB2 H 1 3.382 0.030 . 1 . . . . 101 TRP HB2 . 11306 1 1168 . 1 1 101 101 TRP HB3 H 1 3.382 0.030 . 1 . . . . 101 TRP HB3 . 11306 1 1169 . 1 1 101 101 TRP HD1 H 1 7.352 0.030 . 1 . . . . 101 TRP HD1 . 11306 1 1170 . 1 1 101 101 TRP HE1 H 1 10.231 0.030 . 1 . . . . 101 TRP HE1 . 11306 1 1171 . 1 1 101 101 TRP HE3 H 1 7.718 0.030 . 1 . . . . 101 TRP HE3 . 11306 1 1172 . 1 1 101 101 TRP HH2 H 1 7.308 0.030 . 1 . . . . 101 TRP HH2 . 11306 1 1173 . 1 1 101 101 TRP HZ2 H 1 7.580 0.030 . 1 . . . . 101 TRP HZ2 . 11306 1 1174 . 1 1 101 101 TRP HZ3 H 1 7.239 0.030 . 1 . . . . 101 TRP HZ3 . 11306 1 1175 . 1 1 101 101 TRP C C 13 179.160 0.300 . 1 . . . . 101 TRP C . 11306 1 1176 . 1 1 101 101 TRP CA C 13 59.653 0.300 . 1 . . . . 101 TRP CA . 11306 1 1177 . 1 1 101 101 TRP CB C 13 31.788 0.300 . 1 . . . . 101 TRP CB . 11306 1 1178 . 1 1 101 101 TRP CD1 C 13 129.665 0.300 . 1 . . . . 101 TRP CD1 . 11306 1 1179 . 1 1 101 101 TRP CE3 C 13 123.245 0.300 . 1 . . . . 101 TRP CE3 . 11306 1 1180 . 1 1 101 101 TRP CH2 C 13 127.007 0.300 . 1 . . . . 101 TRP CH2 . 11306 1 1181 . 1 1 101 101 TRP CZ2 C 13 116.956 0.300 . 1 . . . . 101 TRP CZ2 . 11306 1 1182 . 1 1 101 101 TRP CZ3 C 13 124.417 0.300 . 1 . . . . 101 TRP CZ3 . 11306 1 1183 . 1 1 101 101 TRP N N 15 120.782 0.300 . 1 . . . . 101 TRP N . 11306 1 1184 . 1 1 101 101 TRP NE1 N 15 129.996 0.300 . 1 . . . . 101 TRP NE1 . 11306 1 1185 . 1 1 102 102 GLY H H 1 8.232 0.030 . 1 . . . . 102 GLY H . 11306 1 1186 . 1 1 102 102 GLY HA2 H 1 4.313 0.030 . 2 . . . . 102 GLY HA2 . 11306 1 1187 . 1 1 102 102 GLY HA3 H 1 3.927 0.030 . 2 . . . . 102 GLY HA3 . 11306 1 1188 . 1 1 102 102 GLY C C 13 176.093 0.300 . 1 . . . . 102 GLY C . 11306 1 1189 . 1 1 102 102 GLY CA C 13 47.746 0.300 . 1 . . . . 102 GLY CA . 11306 1 1190 . 1 1 102 102 GLY N N 15 110.915 0.300 . 1 . . . . 102 GLY N . 11306 1 1191 . 1 1 103 103 LYS H H 1 8.091 0.030 . 1 . . . . 103 LYS H . 11306 1 1192 . 1 1 103 103 LYS HA H 1 4.362 0.030 . 1 . . . . 103 LYS HA . 11306 1 1193 . 1 1 103 103 LYS HB2 H 1 1.953 0.030 . 2 . . . . 103 LYS HB2 . 11306 1 1194 . 1 1 103 103 LYS HB3 H 1 2.057 0.030 . 2 . . . . 103 LYS HB3 . 11306 1 1195 . 1 1 103 103 LYS HD2 H 1 1.727 0.030 . 1 . . . . 103 LYS HD2 . 11306 1 1196 . 1 1 103 103 LYS HD3 H 1 1.727 0.030 . 1 . . . . 103 LYS HD3 . 11306 1 1197 . 1 1 103 103 LYS HE2 H 1 3.068 0.030 . 1 . . . . 103 LYS HE2 . 11306 1 1198 . 1 1 103 103 LYS HE3 H 1 3.068 0.030 . 1 . . . . 103 LYS HE3 . 11306 1 1199 . 1 1 103 103 LYS HG2 H 1 1.445 0.030 . 1 . . . . 103 LYS HG2 . 11306 1 1200 . 1 1 103 103 LYS HG3 H 1 1.445 0.030 . 1 . . . . 103 LYS HG3 . 11306 1 1201 . 1 1 103 103 LYS C C 13 178.843 0.300 . 1 . . . . 103 LYS C . 11306 1 1202 . 1 1 103 103 LYS CA C 13 58.515 0.300 . 1 . . . . 103 LYS CA . 11306 1 1203 . 1 1 103 103 LYS CB C 13 33.134 0.300 . 1 . . . . 103 LYS CB . 11306 1 1204 . 1 1 103 103 LYS CD C 13 31.161 0.300 . 1 . . . . 103 LYS CD . 11306 1 1205 . 1 1 103 103 LYS CE C 13 44.426 0.300 . 1 . . . . 103 LYS CE . 11306 1 1206 . 1 1 103 103 LYS CG C 13 26.936 0.300 . 1 . . . . 103 LYS CG . 11306 1 1207 . 1 1 103 103 LYS N N 15 121.048 0.300 . 1 . . . . 103 LYS N . 11306 1 1208 . 1 1 104 104 MET H H 1 8.431 0.030 . 1 . . . . 104 MET H . 11306 1 1209 . 1 1 104 104 MET HA H 1 4.540 0.030 . 1 . . . . 104 MET HA . 11306 1 1210 . 1 1 104 104 MET HB2 H 1 2.065 0.030 . 2 . . . . 104 MET HB2 . 11306 1 1211 . 1 1 104 104 MET HB3 H 1 2.143 0.030 . 2 . . . . 104 MET HB3 . 11306 1 1212 . 1 1 104 104 MET HE1 H 1 2.148 0.030 . 1 . . . . 104 MET HE . 11306 1 1213 . 1 1 104 104 MET HE2 H 1 2.148 0.030 . 1 . . . . 104 MET HE . 11306 1 1214 . 1 1 104 104 MET HE3 H 1 2.148 0.030 . 1 . . . . 104 MET HE . 11306 1 1215 . 1 1 104 104 MET HG2 H 1 2.571 0.030 . 2 . . . . 104 MET HG2 . 11306 1 1216 . 1 1 104 104 MET HG3 H 1 2.652 0.030 . 2 . . . . 104 MET HG3 . 11306 1 1217 . 1 1 104 104 MET C C 13 178.404 0.300 . 1 . . . . 104 MET C . 11306 1 1218 . 1 1 104 104 MET CA C 13 57.747 0.300 . 1 . . . . 104 MET CA . 11306 1 1219 . 1 1 104 104 MET CB C 13 35.218 0.300 . 1 . . . . 104 MET CB . 11306 1 1220 . 1 1 104 104 MET CE C 13 19.261 0.300 . 1 . . . . 104 MET CE . 11306 1 1221 . 1 1 104 104 MET CG C 13 34.296 0.300 . 1 . . . . 104 MET CG . 11306 1 1222 . 1 1 104 104 MET N N 15 121.828 0.300 . 1 . . . . 104 MET N . 11306 1 1223 . 1 1 105 105 GLU H H 1 8.471 0.030 . 1 . . . . 105 GLU H . 11306 1 1224 . 1 1 105 105 GLU HA H 1 4.346 0.030 . 1 . . . . 105 GLU HA . 11306 1 1225 . 1 1 105 105 GLU HB2 H 1 1.954 0.030 . 2 . . . . 105 GLU HB2 . 11306 1 1226 . 1 1 105 105 GLU HB3 H 1 2.056 0.030 . 2 . . . . 105 GLU HB3 . 11306 1 1227 . 1 1 105 105 GLU HG2 H 1 2.290 0.030 . 1 . . . . 105 GLU HG2 . 11306 1 1228 . 1 1 105 105 GLU HG3 H 1 2.290 0.030 . 1 . . . . 105 GLU HG3 . 11306 1 1229 . 1 1 105 105 GLU C C 13 178.479 0.300 . 1 . . . . 105 GLU C . 11306 1 1230 . 1 1 105 105 GLU CA C 13 58.769 0.300 . 1 . . . . 105 GLU CA . 11306 1 1231 . 1 1 105 105 GLU CB C 13 32.987 0.300 . 1 . . . . 105 GLU CB . 11306 1 1232 . 1 1 105 105 GLU CG C 13 38.512 0.300 . 1 . . . . 105 GLU CG . 11306 1 1233 . 1 1 105 105 GLU N N 15 123.160 0.300 . 1 . . . . 105 GLU N . 11306 1 1234 . 1 1 106 106 VAL H H 1 8.143 0.030 . 1 . . . . 106 VAL H . 11306 1 1235 . 1 1 106 106 VAL HA H 1 4.114 0.030 . 1 . . . . 106 VAL HA . 11306 1 1236 . 1 1 106 106 VAL HB H 1 2.048 0.030 . 1 . . . . 106 VAL HB . 11306 1 1237 . 1 1 106 106 VAL HG11 H 1 0.932 0.030 . 1 . . . . 106 VAL HG1 . 11306 1 1238 . 1 1 106 106 VAL HG12 H 1 0.932 0.030 . 1 . . . . 106 VAL HG1 . 11306 1 1239 . 1 1 106 106 VAL HG13 H 1 0.932 0.030 . 1 . . . . 106 VAL HG1 . 11306 1 1240 . 1 1 106 106 VAL HG21 H 1 0.896 0.030 . 1 . . . . 106 VAL HG2 . 11306 1 1241 . 1 1 106 106 VAL HG22 H 1 0.896 0.030 . 1 . . . . 106 VAL HG2 . 11306 1 1242 . 1 1 106 106 VAL HG23 H 1 0.896 0.030 . 1 . . . . 106 VAL HG2 . 11306 1 1243 . 1 1 106 106 VAL C C 13 178.063 0.300 . 1 . . . . 106 VAL C . 11306 1 1244 . 1 1 106 106 VAL CA C 13 64.594 0.300 . 1 . . . . 106 VAL CA . 11306 1 1245 . 1 1 106 106 VAL CB C 13 35.310 0.300 . 1 . . . . 106 VAL CB . 11306 1 1246 . 1 1 106 106 VAL CG1 C 13 22.608 0.300 . 2 . . . . 106 VAL CG1 . 11306 1 1247 . 1 1 106 106 VAL CG2 C 13 23.374 0.300 . 2 . . . . 106 VAL CG2 . 11306 1 1248 . 1 1 106 106 VAL N N 15 121.245 0.300 . 1 . . . . 106 VAL N . 11306 1 1249 . 1 1 107 107 PHE H H 1 8.357 0.030 . 1 . . . . 107 PHE H . 11306 1 1250 . 1 1 107 107 PHE HA H 1 4.713 0.030 . 1 . . . . 107 PHE HA . 11306 1 1251 . 1 1 107 107 PHE HB2 H 1 3.095 0.030 . 2 . . . . 107 PHE HB2 . 11306 1 1252 . 1 1 107 107 PHE HB3 H 1 3.179 0.030 . 2 . . . . 107 PHE HB3 . 11306 1 1253 . 1 1 107 107 PHE HD1 H 1 7.317 0.030 . 1 . . . . 107 PHE HD1 . 11306 1 1254 . 1 1 107 107 PHE HD2 H 1 7.317 0.030 . 1 . . . . 107 PHE HD2 . 11306 1 1255 . 1 1 107 107 PHE HE1 H 1 7.392 0.030 . 1 . . . . 107 PHE HE1 . 11306 1 1256 . 1 1 107 107 PHE HE2 H 1 7.392 0.030 . 1 . . . . 107 PHE HE2 . 11306 1 1257 . 1 1 107 107 PHE HZ H 1 7.335 0.030 . 1 . . . . 107 PHE HZ . 11306 1 1258 . 1 1 107 107 PHE C C 13 177.765 0.300 . 1 . . . . 107 PHE C . 11306 1 1259 . 1 1 107 107 PHE CA C 13 60.058 0.300 . 1 . . . . 107 PHE CA . 11306 1 1260 . 1 1 107 107 PHE CB C 13 41.830 0.300 . 1 . . . . 107 PHE CB . 11306 1 1261 . 1 1 107 107 PHE CD1 C 13 134.014 0.300 . 1 . . . . 107 PHE CD1 . 11306 1 1262 . 1 1 107 107 PHE CD2 C 13 134.014 0.300 . 1 . . . . 107 PHE CD2 . 11306 1 1263 . 1 1 107 107 PHE CE1 C 13 133.886 0.300 . 1 . . . . 107 PHE CE1 . 11306 1 1264 . 1 1 107 107 PHE CE2 C 13 133.886 0.300 . 1 . . . . 107 PHE CE2 . 11306 1 1265 . 1 1 107 107 PHE CZ C 13 132.140 0.300 . 1 . . . . 107 PHE CZ . 11306 1 1266 . 1 1 107 107 PHE N N 15 124.389 0.300 . 1 . . . . 107 PHE N . 11306 1 1267 . 1 1 108 108 ARG H H 1 8.244 0.030 . 1 . . . . 108 ARG H . 11306 1 1268 . 1 1 108 108 ARG HA H 1 4.023 0.030 . 1 . . . . 108 ARG HA . 11306 1 1269 . 1 1 108 108 ARG HB2 H 1 1.826 0.030 . 1 . . . . 108 ARG HB2 . 11306 1 1270 . 1 1 108 108 ARG HB3 H 1 1.826 0.030 . 1 . . . . 108 ARG HB3 . 11306 1 1271 . 1 1 108 108 ARG HD2 H 1 3.231 0.030 . 2 . . . . 108 ARG HD2 . 11306 1 1272 . 1 1 108 108 ARG HD3 H 1 3.299 0.030 . 2 . . . . 108 ARG HD3 . 11306 1 1273 . 1 1 108 108 ARG HG2 H 1 1.738 0.030 . 1 . . . . 108 ARG HG2 . 11306 1 1274 . 1 1 108 108 ARG HG3 H 1 1.738 0.030 . 1 . . . . 108 ARG HG3 . 11306 1 1275 . 1 1 108 108 ARG C C 13 177.982 0.300 . 1 . . . . 108 ARG C . 11306 1 1276 . 1 1 108 108 ARG CA C 13 58.232 0.300 . 1 . . . . 108 ARG CA . 11306 1 1277 . 1 1 108 108 ARG CB C 13 33.567 0.300 . 1 . . . . 108 ARG CB . 11306 1 1278 . 1 1 108 108 ARG CD C 13 45.639 0.300 . 1 . . . . 108 ARG CD . 11306 1 1279 . 1 1 108 108 ARG CG C 13 28.651 0.300 . 1 . . . . 108 ARG CG . 11306 1 1280 . 1 1 108 108 ARG N N 15 123.995 0.300 . 1 . . . . 108 ARG N . 11306 1 1281 . 1 1 109 109 SER H H 1 8.349 0.030 . 1 . . . . 109 SER H . 11306 1 1282 . 1 1 109 109 SER HA H 1 4.509 0.030 . 1 . . . . 109 SER HA . 11306 1 1283 . 1 1 109 109 SER HB2 H 1 3.917 0.030 . 1 . . . . 109 SER HB2 . 11306 1 1284 . 1 1 109 109 SER HB3 H 1 3.917 0.030 . 1 . . . . 109 SER HB3 . 11306 1 1285 . 1 1 109 109 SER C C 13 176.801 0.300 . 1 . . . . 109 SER C . 11306 1 1286 . 1 1 109 109 SER CA C 13 60.574 0.300 . 1 . . . . 109 SER CA . 11306 1 1287 . 1 1 109 109 SER CB C 13 66.339 0.300 . 1 . . . . 109 SER CB . 11306 1 1288 . 1 1 109 109 SER N N 15 117.678 0.300 . 1 . . . . 109 SER N . 11306 1 1289 . 1 1 110 110 GLY H H 1 8.313 0.030 . 1 . . . . 110 GLY H . 11306 1 1290 . 1 1 110 110 GLY HA2 H 1 4.219 0.030 . 1 . . . . 110 GLY HA2 . 11306 1 1291 . 1 1 110 110 GLY HA3 H 1 4.219 0.030 . 1 . . . . 110 GLY HA3 . 11306 1 1292 . 1 1 110 110 GLY C C 13 174.080 0.300 . 1 . . . . 110 GLY C . 11306 1 1293 . 1 1 110 110 GLY CA C 13 47.215 0.300 . 1 . . . . 110 GLY CA . 11306 1 1294 . 1 1 110 110 GLY N N 15 111.083 0.300 . 1 . . . . 110 GLY N . 11306 1 1295 . 1 1 111 111 PRO HA H 1 4.549 0.030 . 1 . . . . 111 PRO HA . 11306 1 1296 . 1 1 111 111 PRO HB2 H 1 2.360 0.030 . 2 . . . . 111 PRO HB2 . 11306 1 1297 . 1 1 111 111 PRO HB3 H 1 2.052 0.030 . 2 . . . . 111 PRO HB3 . 11306 1 1298 . 1 1 111 111 PRO HD2 H 1 3.708 0.030 . 2 . . . . 111 PRO HD2 . 11306 1 1299 . 1 1 111 111 PRO HD3 H 1 3.742 0.030 . 2 . . . . 111 PRO HD3 . 11306 1 1300 . 1 1 111 111 PRO HG2 H 1 2.097 0.030 . 1 . . . . 111 PRO HG2 . 11306 1 1301 . 1 1 111 111 PRO HG3 H 1 2.097 0.030 . 1 . . . . 111 PRO HG3 . 11306 1 1302 . 1 1 111 111 PRO CA C 13 65.870 0.300 . 1 . . . . 111 PRO CA . 11306 1 1303 . 1 1 111 111 PRO CB C 13 34.562 0.300 . 1 . . . . 111 PRO CB . 11306 1 1304 . 1 1 111 111 PRO CD C 13 52.086 0.300 . 1 . . . . 111 PRO CD . 11306 1 1305 . 1 1 111 111 PRO CG C 13 29.415 0.300 . 1 . . . . 111 PRO CG . 11306 1 stop_ save_