data_15881 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15881 _Entry.Title ; NMR assignment of Prespore Specific Antigen - a cell surface adhesion glycoprotein from Dictyostelium discoideum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-20 _Entry.Accession_date 2008-07-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 James Swarbrick . D. . 15881 2 Bridget Mabbutt . C. . 15881 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15881 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 15881 '15N chemical shifts' 138 15881 '1H chemical shifts' 794 15881 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 3 . . 2009-08-21 2008-07-20 update BMRB 'add PubMed ID' 15881 2 . . 2009-05-22 2008-07-20 update BMRB 'complete entry citation' 15881 1 . . 2008-11-17 2008-07-20 original author 'original release' 15881 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15881 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636933 _Citation.Full_citation . _Citation.Title 'NMR assignment of prespore specific antigen--a cell surface adhesion glycoprotein from Dictyostelium discoideum' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 1 _Citation.Page_last 3 _Citation.Year 2009 _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 James Swarbrick . D. . 15881 1 2 Liza Cubeddu . . . 15881 1 3 Graham Ball . E. . 15881 1 4 Paul Curmi . M.G. . 15881 1 5 Andrew Gooley . A. . 15881 1 6 Keith Williams . L. . 15881 1 7 Bridget Mabbutt . C. . 15881 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'glycopeptide linker' 15881 1 GPI-anchor 15881 1 'N-acetyl glucosamine' 15881 1 ponticulin 15881 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15881 _Assembly.ID 1 _Assembly.Name PSA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15499 _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 PSA 1 $PSA A . yes native no no . . . 15881 1 2 'NAG, 1' 2 $NAG B . yes native no no . . . 15881 1 3 'NAG, 2' 2 $NAG B . yes native no no . . . 15881 1 4 'NAG, 3' 2 $NAG B . yes native no no . . . 15881 1 5 'NAG, 4' 2 $NAG B . yes native no no . . . 15881 1 6 'NAG, 5' 2 $NAG B . yes native no no . . . 15881 1 7 'NAG, 6' 2 $NAG B . yes native no no . . . 15881 1 8 'NAG, 7' 2 $NAG B . yes native no no . . . 15881 1 9 'NAG, 8' 2 $NAG B . yes native no no . . . 15881 1 10 'NAG, 9' 2 $NAG B . yes native no no . . . 15881 1 11 'NAG, 10' 2 $NAG B . yes native no no . . . 15881 1 12 'NAG, 11' 2 $NAG B . yes native no no . . . 15881 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 disulphide single . 1 PSA 1 CYS 25 25 SG . 1 PSA 1 CYS 55 55 SG . PSA 25 cys SG . PSA 55 cys SG 15881 1 2 disulphide single . 1 PSA 1 CYS 69 69 SG . 1 PSA 1 CYS 86 86 SG . PSA 69 cys SG . PSA 86 cys SG 15881 1 3 disulphide single . 1 PSA 1 CYS 29 29 SG . 1 PSA 1 CYS 15 15 SG . PSA 29 cys SG . PSA 15 cys SG 15881 1 4 covalent single . 1 PSA 1 THR 91 91 OG1 . 2 'NAG, 1' 2 NAG 1 1 C1 . PSA 91 THR OG1 . NAG . . C1 15881 1 5 covalent single . 1 PSA 1 THR 95 95 OG1 . 3 'NAG, 2' 2 NAG 1 1 C1 . PSA 95 THR OG1 . NAG . . C1 15881 1 6 covalent single . 1 PSA 1 THR 97 97 OG1 . 4 'NAG, 3' 2 NAG 1 1 C1 . PSA 97 THR OG1 . NAG . . C1 15881 1 7 covalent single . 1 PSA 1 THR 99 99 OG1 . 5 'NAG, 4' 2 NAG 1 1 C1 . PSA 99 THR OG1 . NAG . . C1 15881 1 8 covalent single . 1 PSA 1 THR 101 101 OG1 . 6 'NAG, 5' 2 NAG 1 1 C1 . PSA 101 THR OG1 . NAG . . C1 15881 1 9 covalent single . 1 PSA 1 THR 103 103 OG1 . 7 'NAG, 6' 2 NAG 1 1 C1 . PSA 103 THR OG1 . NAG . . C1 15881 1 10 covalent single . 1 PSA 1 THR 107 107 OG1 . 8 'NAG, 7' 2 NAG 1 1 C1 . PSA 107 THR OG1 . NAG . . C1 15881 1 11 covalent single . 1 PSA 1 THR 109 109 OG1 . 9 'NAG, 8' 2 NAG 1 1 C1 . PSA 109 THR OG1 . NAG . . C1 15881 1 12 covalent single . 1 PSA 1 THR 111 111 OG1 . 10 'NAG, 9' 2 NAG 1 1 C1 . PSA 111 THR OG1 . NAG . . C1 15881 1 13 covalent single . 1 PSA 1 THR 113 113 OG1 . 11 'NAG, 10' 2 NAG 1 1 C1 . PSA 113 THR OG1 . NAG . . C1 15881 1 14 covalent single . 1 PSA 1 THR 115 115 OG1 . 12 'NAG, 11' 2 NAG 1 1 C1 . PSA 115 THR OG1 . NAG . . C1 15881 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PSA _Entity.Sf_category entity _Entity.Sf_framecode PSA _Entity.Entry_ID 15881 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PSA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YDYFTTTLANQNPVCASVDV IQNVCTEVCGRFVRYIPDAT NTNQFTFAEYTTNQCTVQVT PAVTNTFTCADQTSSHALGS DWSGVCKITATPAPTVTPTV TPTVTPTVTPTPTNTPNPTP SK ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 EMBL CAA34102 . "D19 preprotein (AA -19 to 149) [Dictyostelium discoideum]" . . . . . 100.00 168 99.18 100.00 4.88e-78 . . . . 15881 1 2 no GB AAA52100 . "cell surface glycoprotein PsA precursor [Dictyostelium discoideum]" . . . . . 100.00 168 99.18 100.00 4.88e-78 . . . . 15881 1 3 no GB EAL73158 . "cell surface glycoprotein PsA precursor [Dictyostelium discoideum AX4]" . . . . . 100.00 168 99.18 100.00 4.88e-78 . . . . 15881 1 4 no PRF 1615147A . "prespore specific protein" . . . . . 100.00 168 99.18 100.00 4.88e-78 . . . . 15881 1 5 no REF XP_647406 . "cell surface glycoprotein PsA precursor [Dictyostelium discoideum AX4]" . . . . . 100.00 168 99.18 100.00 4.88e-78 . . . . 15881 1 6 no SP P12729 . "RecName: Full=Prespore-specific protein A; AltName: Full=Cell surface antigen PsA; AltName: Full=Ponticulin-like protein G; Alt" . . . . . 100.00 168 99.18 100.00 4.88e-78 . . . . 15881 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 . TYR . 15881 1 2 . ASP . 15881 1 3 . TYR . 15881 1 4 . PHE . 15881 1 5 . THR . 15881 1 6 . THR . 15881 1 7 . THR . 15881 1 8 . LEU . 15881 1 9 . ALA . 15881 1 10 . ASN . 15881 1 11 . GLN . 15881 1 12 . ASN . 15881 1 13 . PRO . 15881 1 14 . VAL . 15881 1 15 . CYS . 15881 1 16 . ALA . 15881 1 17 . SER . 15881 1 18 . VAL . 15881 1 19 . ASP . 15881 1 20 . VAL . 15881 1 21 . ILE . 15881 1 22 . GLN . 15881 1 23 . ASN . 15881 1 24 . VAL . 15881 1 25 . CYS . 15881 1 26 . THR . 15881 1 27 . GLU . 15881 1 28 . VAL . 15881 1 29 . CYS . 15881 1 30 . GLY . 15881 1 31 . ARG . 15881 1 32 . PHE . 15881 1 33 . VAL . 15881 1 34 . ARG . 15881 1 35 . TYR . 15881 1 36 . ILE . 15881 1 37 . PRO . 15881 1 38 . ASP . 15881 1 39 . ALA . 15881 1 40 . THR . 15881 1 41 . ASN . 15881 1 42 . THR . 15881 1 43 . ASN . 15881 1 44 . GLN . 15881 1 45 . PHE . 15881 1 46 . THR . 15881 1 47 . PHE . 15881 1 48 . ALA . 15881 1 49 . GLU . 15881 1 50 . TYR . 15881 1 51 . THR . 15881 1 52 . THR . 15881 1 53 . ASN . 15881 1 54 . GLN . 15881 1 55 . CYS . 15881 1 56 . THR . 15881 1 57 . VAL . 15881 1 58 . GLN . 15881 1 59 . VAL . 15881 1 60 . THR . 15881 1 61 . PRO . 15881 1 62 . ALA . 15881 1 63 . VAL . 15881 1 64 . THR . 15881 1 65 . ASN . 15881 1 66 . THR . 15881 1 67 . PHE . 15881 1 68 . THR . 15881 1 69 . CYS . 15881 1 70 . ALA . 15881 1 71 . ASP . 15881 1 72 . GLN . 15881 1 73 . THR . 15881 1 74 . SER . 15881 1 75 . SER . 15881 1 76 . HIS . 15881 1 77 . ALA . 15881 1 78 . LEU . 15881 1 79 . GLY . 15881 1 80 . SER . 15881 1 81 . ASP . 15881 1 82 . TRP . 15881 1 83 . SER . 15881 1 84 . GLY . 15881 1 85 . VAL . 15881 1 86 . CYS . 15881 1 87 . LYS . 15881 1 88 . ILE . 15881 1 89 . THR . 15881 1 90 . ALA . 15881 1 91 . THR . 15881 1 92 . PRO . 15881 1 93 . ALA . 15881 1 94 . PRO . 15881 1 95 . THR . 15881 1 96 . VAL . 15881 1 97 . THR . 15881 1 98 . PRO . 15881 1 99 . THR . 15881 1 100 . VAL . 15881 1 101 . THR . 15881 1 102 . PRO . 15881 1 103 . THR . 15881 1 104 . VAL . 15881 1 105 . THR . 15881 1 106 . PRO . 15881 1 107 . THR . 15881 1 108 . VAL . 15881 1 109 . THR . 15881 1 110 . PRO . 15881 1 111 . THR . 15881 1 112 . PRO . 15881 1 113 . THR . 15881 1 114 . ASN . 15881 1 115 . THR . 15881 1 116 . PRO . 15881 1 117 . ASN . 15881 1 118 . PRO . 15881 1 119 . THR . 15881 1 120 . PRO . 15881 1 121 . SER . 15881 1 122 . LYS . 15881 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 . TYR 1 1 15881 1 . ASP 2 2 15881 1 . TYR 3 3 15881 1 . PHE 4 4 15881 1 . THR 5 5 15881 1 . THR 6 6 15881 1 . THR 7 7 15881 1 . LEU 8 8 15881 1 . ALA 9 9 15881 1 . ASN 10 10 15881 1 . GLN 11 11 15881 1 . ASN 12 12 15881 1 . PRO 13 13 15881 1 . VAL 14 14 15881 1 . CYS 15 15 15881 1 . ALA 16 16 15881 1 . SER 17 17 15881 1 . VAL 18 18 15881 1 . ASP 19 19 15881 1 . VAL 20 20 15881 1 . ILE 21 21 15881 1 . GLN 22 22 15881 1 . ASN 23 23 15881 1 . VAL 24 24 15881 1 . CYS 25 25 15881 1 . THR 26 26 15881 1 . GLU 27 27 15881 1 . VAL 28 28 15881 1 . CYS 29 29 15881 1 . GLY 30 30 15881 1 . ARG 31 31 15881 1 . PHE 32 32 15881 1 . VAL 33 33 15881 1 . ARG 34 34 15881 1 . TYR 35 35 15881 1 . ILE 36 36 15881 1 . PRO 37 37 15881 1 . ASP 38 38 15881 1 . ALA 39 39 15881 1 . THR 40 40 15881 1 . ASN 41 41 15881 1 . THR 42 42 15881 1 . ASN 43 43 15881 1 . GLN 44 44 15881 1 . PHE 45 45 15881 1 . THR 46 46 15881 1 . PHE 47 47 15881 1 . ALA 48 48 15881 1 . GLU 49 49 15881 1 . TYR 50 50 15881 1 . THR 51 51 15881 1 . THR 52 52 15881 1 . ASN 53 53 15881 1 . GLN 54 54 15881 1 . CYS 55 55 15881 1 . THR 56 56 15881 1 . VAL 57 57 15881 1 . GLN 58 58 15881 1 . VAL 59 59 15881 1 . THR 60 60 15881 1 . PRO 61 61 15881 1 . ALA 62 62 15881 1 . VAL 63 63 15881 1 . THR 64 64 15881 1 . ASN 65 65 15881 1 . THR 66 66 15881 1 . PHE 67 67 15881 1 . THR 68 68 15881 1 . CYS 69 69 15881 1 . ALA 70 70 15881 1 . ASP 71 71 15881 1 . GLN 72 72 15881 1 . THR 73 73 15881 1 . SER 74 74 15881 1 . SER 75 75 15881 1 . HIS 76 76 15881 1 . ALA 77 77 15881 1 . LEU 78 78 15881 1 . GLY 79 79 15881 1 . SER 80 80 15881 1 . ASP 81 81 15881 1 . TRP 82 82 15881 1 . SER 83 83 15881 1 . GLY 84 84 15881 1 . VAL 85 85 15881 1 . CYS 86 86 15881 1 . LYS 87 87 15881 1 . ILE 88 88 15881 1 . THR 89 89 15881 1 . ALA 90 90 15881 1 . THR 91 91 15881 1 . PRO 92 92 15881 1 . ALA 93 93 15881 1 . PRO 94 94 15881 1 . THR 95 95 15881 1 . VAL 96 96 15881 1 . THR 97 97 15881 1 . PRO 98 98 15881 1 . THR 99 99 15881 1 . VAL 100 100 15881 1 . THR 101 101 15881 1 . PRO 102 102 15881 1 . THR 103 103 15881 1 . VAL 104 104 15881 1 . THR 105 105 15881 1 . PRO 106 106 15881 1 . THR 107 107 15881 1 . VAL 108 108 15881 1 . THR 109 109 15881 1 . PRO 110 110 15881 1 . THR 111 111 15881 1 . PRO 112 112 15881 1 . THR 113 113 15881 1 . ASN 114 114 15881 1 . THR 115 115 15881 1 . PRO 116 116 15881 1 . ASN 117 117 15881 1 . PRO 118 118 15881 1 . THR 119 119 15881 1 . PRO 120 120 15881 1 . SER 121 121 15881 1 . LYS 122 122 15881 1 stop_ save_ save_NAG _Entity.Sf_category entity _Entity.Sf_framecode NAG _Entity.Entry_ID 15881 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NAG _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 NAG _Entity.Nonpolymer_comp_label $chem_comp_NAG _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 . NAG . 15881 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 15881 _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 $PSA . 44689 organism . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . . . . . . . . . . . 15881 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 15881 _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 $PSA . 'recombinant technology' 'Dictyostelium discoideum' . . . Dictyostelium discoideum . . . . . . . . . . . . . . . . - . . . . . . 15881 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NAG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAG _Chem_comp.Entry_ID 15881 _Chem_comp.ID NAG _Chem_comp.Provenance . _Chem_comp.Name N-ACETYL-D-GLUCOSAMINE _Chem_comp.Type D-SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code NAG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-07-01 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAG _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H15 N O6' _Chem_comp.Formula_weight 221.208 _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 8PCH _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 Fri Oct 28 12:33:51 2011 ; _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 CC(=O)NC1C(C(C(OC1O)CO)O)O SMILES 'OpenEye OEToolkits' 1.7.2 15881 NAG CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 15881 NAG CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.370 15881 NAG CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O SMILES CACTVS 3.370 15881 NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 InChI InChI 1.03 15881 NAG O=C(NC1C(O)C(O)C(OC1O)CO)C SMILES ACDLabs 12.01 15881 NAG OVRNDRQMDRJTHS-FMDGEEDCSA-N InChIKey InChI 1.03 15881 NAG 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 2-(acetylamino)-2-deoxy-beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 12.01 15881 NAG N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 15881 NAG 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 C1 . C1 . . C . . R 0 . . . . no no . . . . 7.396 . 28.163 . 26.662 . 0.185 1.082 -0.421 1 . 15881 NAG C2 . C2 . . C . . R 0 . . . . no no . . . . 6.973 . 29.233 . 27.644 . 0.790 -0.220 0.112 2 . 15881 NAG C3 . C3 . . C . . R 0 . . . . no no . . . . 7.667 . 29.055 . 29.000 . -0.124 -1.390 -0.265 3 . 15881 NAG C4 . C4 . . C . . S 0 . . . . no no . . . . 7.573 . 27.588 . 29.490 . -1.526 -1.129 0.294 4 . 15881 NAG C5 . C5 . . C . . R 0 . . . . no no . . . . 7.902 . 26.592 . 28.373 . -2.042 0.207 -0.246 5 . 15881 NAG C6 . C6 . . C . . N 0 . . . . no no . . . . 7.599 . 25.173 . 28.797 . -3.417 0.504 0.355 6 . 15881 NAG C7 . C7 . . C . . N 0 . . . . no no . . . . 6.291 . 31.299 . 26.595 . 3.197 0.157 0.076 7 . 15881 NAG C8 . C8 . . C . . N 0 . . . . no no . . . . 6.684 . 32.649 . 26.036 . 4.559 -0.052 -0.533 8 . 15881 NAG N2 . N2 . . N . . N 0 . . . . no no . . . . 7.268 . 30.545 . 27.089 . 2.114 -0.422 -0.480 9 . 15881 NAG O1 . O1 . . O . . N 0 . . . . no yes . . . . 6.676 . 28.363 . 25.419 . 1.003 2.185 -0.024 10 . 15881 NAG O3 . O3 . . O . . N 0 . . . . no yes . . . . 7.038 . 29.909 . 29.947 . 0.395 -2.600 0.291 11 . 15881 NAG O4 . O4 . . O . . N 0 . . . . no no . . . . 8.494 . 27.358 . 30.574 . -2.405 -2.180 -0.114 12 . 15881 NAG O5 . O5 . . O . . N 0 . . . . no no . . . . 7.104 . 26.875 . 27.206 . -1.130 1.248 0.113 13 . 15881 NAG O6 . O6 . . O . . N 0 . . . . no no . . . . 6.232 . 25.040 . 29.165 . -3.949 1.691 -0.236 14 . 15881 NAG O7 . O7 . . O . . N 0 . . . . no no . . . . 5.114 . 30.936 . 26.562 . 3.074 0.845 1.067 15 . 15881 NAG H1 . H1 . . H . . N 0 . . . . no no . . . . 8.478 . 28.225 . 26.471 . 0.133 1.040 -1.509 16 . 15881 NAG H2 . H2 . . H . . N 0 . . . . no no . . . . 5.890 . 29.142 . 27.814 . 0.879 -0.163 1.197 17 . 15881 NAG H3 . H3 . . H . . N 0 . . . . no no . . . . 8.731 . 29.311 . 28.891 . -0.174 -1.478 -1.350 18 . 15881 NAG H4 . H4 . . H . . N 0 . . . . no no . . . . 6.536 . 27.433 . 29.822 . -1.483 -1.091 1.382 19 . 15881 NAG H5 . H5 . . H . . N 0 . . . . no no . . . . 8.975 . 26.694 . 28.151 . -2.123 0.154 -1.332 20 . 15881 NAG H61 . H61 . . H . . N 0 . . . . no no . . . . 7.813 . 24.494 . 27.959 . -4.088 -0.333 0.157 21 . 15881 NAG H62 . H62 . . H . . N 0 . . . . no no . . . . 8.230 . 24.913 . 29.659 . -3.320 0.645 1.431 22 . 15881 NAG H81 . H81 . . H . . N 0 . . . . no no . . . . 5.791 . 33.159 . 25.646 . 4.560 0.320 -1.558 23 . 15881 NAG H82 . H82 . . H . . N 0 . . . . no no . . . . 7.136 . 33.258 . 26.833 . 5.305 0.490 0.050 24 . 15881 NAG H83 . H83 . . H . . N 0 . . . . no no . . . . 7.411 . 32.511 . 25.222 . 4.799 -1.115 -0.532 25 . 15881 NAG HN2 . HN2 . . H . . N 0 . . . . no no . . . . 8.210 . 30.881 . 27.079 . 2.212 -0.973 -1.273 26 . 15881 NAG HO1 . HO1 . . H . . N 0 . . . . no no . . . . 6.933 . 27.696 . 24.793 . 0.679 3.044 -0.328 27 . 15881 NAG HO3 . HO3 . . H . . N 0 . . . . no no . . . . 7.459 . 29.809 . 30.793 . -0.135 -3.384 0.091 28 . 15881 NAG HO4 . HO4 . . H . . N 0 . . . . no no . . . . 8.425 . 26.456 . 30.863 . -3.312 -2.079 0.206 29 . 15881 NAG HO6 . HO6 . . H . . N 0 . . . . no no . . . . 6.060 . 24.143 . 29.428 . -4.822 1.940 0.099 30 . 15881 NAG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 15881 NAG 2 . SING C1 O1 no N 2 . 15881 NAG 3 . SING C1 O5 no N 3 . 15881 NAG 4 . SING C1 H1 no N 4 . 15881 NAG 5 . SING C2 C3 no N 5 . 15881 NAG 6 . SING C2 N2 no N 6 . 15881 NAG 7 . SING C2 H2 no N 7 . 15881 NAG 8 . SING C3 C4 no N 8 . 15881 NAG 9 . SING C3 O3 no N 9 . 15881 NAG 10 . SING C3 H3 no N 10 . 15881 NAG 11 . SING C4 C5 no N 11 . 15881 NAG 12 . SING C4 O4 no N 12 . 15881 NAG 13 . SING C4 H4 no N 13 . 15881 NAG 14 . SING C5 C6 no N 14 . 15881 NAG 15 . SING C5 O5 no N 15 . 15881 NAG 16 . SING C5 H5 no N 16 . 15881 NAG 17 . SING C6 O6 no N 17 . 15881 NAG 18 . SING C6 H61 no N 18 . 15881 NAG 19 . SING C6 H62 no N 19 . 15881 NAG 20 . SING C7 C8 no N 20 . 15881 NAG 21 . SING C7 N2 no N 21 . 15881 NAG 22 . DOUB C7 O7 no N 22 . 15881 NAG 23 . SING C8 H81 no N 23 . 15881 NAG 24 . SING C8 H82 no N 24 . 15881 NAG 25 . SING C8 H83 no N 25 . 15881 NAG 26 . SING N2 HN2 no N 26 . 15881 NAG 27 . SING O1 HO1 no N 27 . 15881 NAG 28 . SING O3 HO3 no N 28 . 15881 NAG 29 . SING O4 HO4 no N 29 . 15881 NAG 30 . SING O6 HO6 no N 30 . 15881 NAG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15881 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PSA '[U-99% 13C; U-99% 15N]' . . 1 $PSA . . 1.0 . . mM . . . . 15881 1 2 Acetate 'natural abundance' . . . . . . 30 . . mM . . . . 15881 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15881 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15881 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15881 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.030 . M 15881 1 pH 6.0 . pH 15881 1 pressure 1 . atm 15881 1 temperature 308 . K 15881 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15881 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15881 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15881 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15881 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15881 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15881 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15881 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15881 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15881 3 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 15881 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15881 _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 DRX . 600 . . . 15881 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 15881 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 15 '2D 1H TOCSY RELAYED CT [13c,1h] HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15881 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15881 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15881 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15881 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15881 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15881 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15881 1 4 '3D CBCA(CO)NH' . . . 15881 1 5 '3D C(CO)NH' . . . 15881 1 6 '3D HNCO' . . . 15881 1 7 '3D HNCA' . . . 15881 1 8 '3D HNCACB' . . . 15881 1 9 '3D H(CCO)NH' . . . 15881 1 10 '3D HCCH-TOCSY' . . . 15881 1 10 '3D HCCH-TOCSY' . . . 15881 1 11 '3D HNHA' . . . 15881 1 12 '3D HCCH-COSY' . . . 15881 1 13 '3D 1H-15N NOESY' . . . 15881 1 14 '3D 1H-13C NOESY' . . . 15881 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 3 $XEASY . . 15881 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 1 1 TYR HA H 1 3.578 0.02 . 1 . . . . 1 TYR HA . 15881 1 2 . 1 1 1 1 TYR HB2 H 1 3.005 0.02 . 2 . . . . 1 TYR HB2 . 15881 1 3 . 1 1 1 1 TYR HB3 H 1 2.776 0.02 . 2 . . . . 1 TYR HB3 . 15881 1 4 . 1 1 1 1 TYR HD1 H 1 6.913 0.02 . 1 . . . . 1 TYR HD1 . 15881 1 5 . 1 1 1 1 TYR HD2 H 1 6.913 0.02 . 1 . . . . 1 TYR HD2 . 15881 1 6 . 1 1 1 1 TYR HE1 H 1 6.616 0.02 . 1 . . . . 1 TYR HE1 . 15881 1 7 . 1 1 1 1 TYR HE2 H 1 6.616 0.02 . 1 . . . . 1 TYR HE2 . 15881 1 8 . 1 1 1 1 TYR CA C 13 58.917 0.2 . 1 . . . . 1 TYR CA . 15881 1 9 . 1 1 1 1 TYR CB C 13 38.739 0.2 . 1 . . . . 1 TYR CB . 15881 1 10 . 1 1 1 1 TYR CD1 C 13 133.906 0.2 . 1 . . . . 1 TYR CD1 . 15881 1 11 . 1 1 1 1 TYR CE1 C 13 119.125 0.2 . 1 . . . . 1 TYR CE1 . 15881 1 12 . 1 1 2 2 ASP H H 1 8.770 0.02 . 1 . . . . 2 ASP H . 15881 1 13 . 1 1 2 2 ASP HA H 1 4.940 0.02 . 1 . . . . 2 ASP HA . 15881 1 14 . 1 1 2 2 ASP HB2 H 1 2.792 0.02 . 2 . . . . 2 ASP HB2 . 15881 1 15 . 1 1 2 2 ASP HB3 H 1 2.892 0.02 . 2 . . . . 2 ASP HB3 . 15881 1 16 . 1 1 2 2 ASP C C 13 173.740 0.2 . 1 . . . . 2 ASP C . 15881 1 17 . 1 1 2 2 ASP CA C 13 54.631 0.2 . 1 . . . . 2 ASP CA . 15881 1 18 . 1 1 2 2 ASP CB C 13 43.972 0.2 . 1 . . . . 2 ASP CB . 15881 1 19 . 1 1 2 2 ASP N N 15 119.032 0.2 . 1 . . . . 2 ASP N . 15881 1 20 . 1 1 3 3 TYR H H 1 7.525 0.02 . 1 . . . . 3 TYR H . 15881 1 21 . 1 1 3 3 TYR HA H 1 4.873 0.02 . 1 . . . . 3 TYR HA . 15881 1 22 . 1 1 3 3 TYR HB2 H 1 2.555 0.02 . 2 . . . . 3 TYR HB2 . 15881 1 23 . 1 1 3 3 TYR HB3 H 1 2.926 0.02 . 2 . . . . 3 TYR HB3 . 15881 1 24 . 1 1 3 3 TYR HD1 H 1 6.672 0.02 . 1 . . . . 3 TYR HD1 . 15881 1 25 . 1 1 3 3 TYR HD2 H 1 6.672 0.02 . 1 . . . . 3 TYR HD2 . 15881 1 26 . 1 1 3 3 TYR HE1 H 1 6.454 0.02 . 1 . . . . 3 TYR HE1 . 15881 1 27 . 1 1 3 3 TYR HE2 H 1 6.454 0.02 . 1 . . . . 3 TYR HE2 . 15881 1 28 . 1 1 3 3 TYR C C 13 170.315 0.2 . 1 . . . . 3 TYR C . 15881 1 29 . 1 1 3 3 TYR CA C 13 56.013 0.2 . 1 . . . . 3 TYR CA . 15881 1 30 . 1 1 3 3 TYR CB C 13 40.029 0.003 . 1 . . . . 3 TYR CB . 15881 1 31 . 1 1 3 3 TYR CD1 C 13 133.523 0.2 . 1 . . . . 3 TYR CD1 . 15881 1 32 . 1 1 3 3 TYR CE1 C 13 118.291 0.2 . 1 . . . . 3 TYR CE1 . 15881 1 33 . 1 1 3 3 TYR N N 15 117.100 0.2 . 1 . . . . 3 TYR N . 15881 1 34 . 1 1 4 4 PHE H H 1 8.975 0.02 . 1 . . . . 4 PHE H . 15881 1 35 . 1 1 4 4 PHE HA H 1 5.039 0.02 . 1 . . . . 4 PHE HA . 15881 1 36 . 1 1 4 4 PHE HB2 H 1 2.217 0.02 . 2 . . . . 4 PHE HB2 . 15881 1 37 . 1 1 4 4 PHE HB3 H 1 2.165 0.02 . 2 . . . . 4 PHE HB3 . 15881 1 38 . 1 1 4 4 PHE HD1 H 1 6.352 0.02 . 1 . . . . 4 PHE HD1 . 15881 1 39 . 1 1 4 4 PHE HD2 H 1 6.352 0.02 . 1 . . . . 4 PHE HD2 . 15881 1 40 . 1 1 4 4 PHE HE1 H 1 6.354 0.02 . 1 . . . . 4 PHE HE1 . 15881 1 41 . 1 1 4 4 PHE HE2 H 1 6.354 0.02 . 1 . . . . 4 PHE HE2 . 15881 1 42 . 1 1 4 4 PHE HZ H 1 6.510 0.02 . 1 . . . . 4 PHE HZ . 15881 1 43 . 1 1 4 4 PHE C C 13 179.360 0.2 . 1 . . . . 4 PHE C . 15881 1 44 . 1 1 4 4 PHE CA C 13 55.584 0.2 . 1 . . . . 4 PHE CA . 15881 1 45 . 1 1 4 4 PHE CB C 13 41.975 0.2 . 1 . . . . 4 PHE CB . 15881 1 46 . 1 1 4 4 PHE CD1 C 13 131.072 0.2 . 1 . . . . 4 PHE CD1 . 15881 1 47 . 1 1 4 4 PHE CE1 C 13 128.608 0.2 . 1 . . . . 4 PHE CE1 . 15881 1 48 . 1 1 4 4 PHE CZ C 13 132.100 0.2 . 1 . . . . 4 PHE CZ . 15881 1 49 . 1 1 4 4 PHE N N 15 116.051 0.2 . 1 . . . . 4 PHE N . 15881 1 50 . 1 1 5 5 THR H H 1 8.877 0.02 . 1 . . . . 5 THR H . 15881 1 51 . 1 1 5 5 THR HA H 1 4.939 0.02 . 1 . . . . 5 THR HA . 15881 1 52 . 1 1 5 5 THR HB H 1 3.865 0.02 . 1 . . . . 5 THR HB . 15881 1 53 . 1 1 5 5 THR HG21 H 1 1.280 0.02 . 1 . . . . 5 THR QG2 . 15881 1 54 . 1 1 5 5 THR HG22 H 1 1.280 0.02 . 1 . . . . 5 THR QG2 . 15881 1 55 . 1 1 5 5 THR HG23 H 1 1.280 0.02 . 1 . . . . 5 THR QG2 . 15881 1 56 . 1 1 5 5 THR C C 13 175.764 0.2 . 1 . . . . 5 THR C . 15881 1 57 . 1 1 5 5 THR CA C 13 64.872 0.2 . 1 . . . . 5 THR CA . 15881 1 58 . 1 1 5 5 THR CB C 13 69.007 0.2 . 1 . . . . 5 THR CB . 15881 1 59 . 1 1 5 5 THR CG2 C 13 22.745 0.2 . 1 . . . . 5 THR CG2 . 15881 1 60 . 1 1 5 5 THR N N 15 130.015 0.2 . 1 . . . . 5 THR N . 15881 1 61 . 1 1 6 6 THR H H 1 10.276 0.02 . 1 . . . . 6 THR H . 15881 1 62 . 1 1 6 6 THR HA H 1 5.217 0.02 . 1 . . . . 6 THR HA . 15881 1 63 . 1 1 6 6 THR HB H 1 4.534 0.02 . 1 . . . . 6 THR HB . 15881 1 64 . 1 1 6 6 THR HG21 H 1 1.544 0.02 . 1 . . . . 6 THR QG2 . 15881 1 65 . 1 1 6 6 THR HG22 H 1 1.544 0.02 . 1 . . . . 6 THR QG2 . 15881 1 66 . 1 1 6 6 THR HG23 H 1 1.544 0.02 . 1 . . . . 6 THR QG2 . 15881 1 67 . 1 1 6 6 THR C C 13 172.115 0.2 . 1 . . . . 6 THR C . 15881 1 68 . 1 1 6 6 THR CA C 13 63.983 0.2 . 1 . . . . 6 THR CA . 15881 1 69 . 1 1 6 6 THR CB C 13 71.065 0.2 . 1 . . . . 6 THR CB . 15881 1 70 . 1 1 6 6 THR CG2 C 13 20.051 0.2 . 1 . . . . 6 THR CG2 . 15881 1 71 . 1 1 6 6 THR N N 15 133.969 0.2 . 1 . . . . 6 THR N . 15881 1 72 . 1 1 7 7 THR H H 1 9.332 0.02 . 1 . . . . 7 THR H . 15881 1 73 . 1 1 7 7 THR HA H 1 4.944 0.003 . 1 . . . . 7 THR HA . 15881 1 74 . 1 1 7 7 THR HB H 1 3.829 0.02 . 1 . . . . 7 THR HB . 15881 1 75 . 1 1 7 7 THR HG21 H 1 1.079 0.02 . 1 . . . . 7 THR QG2 . 15881 1 76 . 1 1 7 7 THR HG22 H 1 1.079 0.02 . 1 . . . . 7 THR QG2 . 15881 1 77 . 1 1 7 7 THR HG23 H 1 1.079 0.02 . 1 . . . . 7 THR QG2 . 15881 1 78 . 1 1 7 7 THR C C 13 172.138 0.2 . 1 . . . . 7 THR C . 15881 1 79 . 1 1 7 7 THR CA C 13 61.193 0.2 . 1 . . . . 7 THR CA . 15881 1 80 . 1 1 7 7 THR CB C 13 71.732 0.2 . 1 . . . . 7 THR CB . 15881 1 81 . 1 1 7 7 THR CG2 C 13 20.793 0.2 . 1 . . . . 7 THR CG2 . 15881 1 82 . 1 1 7 7 THR N N 15 124.415 0.2 . 1 . . . . 7 THR N . 15881 1 83 . 1 1 8 8 LEU H H 1 9.097 0.02 . 1 . . . . 8 LEU H . 15881 1 84 . 1 1 8 8 LEU HA H 1 4.302 0.02 . 1 . . . . 8 LEU HA . 15881 1 85 . 1 1 8 8 LEU HB2 H 1 1.614 0.02 . 2 . . . . 8 LEU HB2 . 15881 1 86 . 1 1 8 8 LEU HB3 H 1 0.592 0.02 . 2 . . . . 8 LEU HB3 . 15881 1 87 . 1 1 8 8 LEU HD11 H 1 -0.707 0.02 . 2 . . . . 8 LEU QD1 . 15881 1 88 . 1 1 8 8 LEU HD12 H 1 -0.707 0.02 . 2 . . . . 8 LEU QD1 . 15881 1 89 . 1 1 8 8 LEU HD13 H 1 -0.707 0.02 . 2 . . . . 8 LEU QD1 . 15881 1 90 . 1 1 8 8 LEU HD21 H 1 0.415 0.003 . 2 . . . . 8 LEU QD2 . 15881 1 91 . 1 1 8 8 LEU HD22 H 1 0.415 0.003 . 2 . . . . 8 LEU QD2 . 15881 1 92 . 1 1 8 8 LEU HD23 H 1 0.415 0.003 . 2 . . . . 8 LEU QD2 . 15881 1 93 . 1 1 8 8 LEU HG H 1 0.863 0.02 . 1 . . . . 8 LEU HG . 15881 1 94 . 1 1 8 8 LEU C C 13 174.710 0.2 . 1 . . . . 8 LEU C . 15881 1 95 . 1 1 8 8 LEU CA C 13 53.027 0.056 . 1 . . . . 8 LEU CA . 15881 1 96 . 1 1 8 8 LEU CB C 13 41.177 0.2 . 1 . . . . 8 LEU CB . 15881 1 97 . 1 1 8 8 LEU CD1 C 13 20.273 0.2 . 1 . . . . 8 LEU CD1 . 15881 1 98 . 1 1 8 8 LEU CD2 C 13 25.814 0.2 . 1 . . . . 8 LEU CD2 . 15881 1 99 . 1 1 8 8 LEU CG C 13 26.450 0.2 . 1 . . . . 8 LEU CG . 15881 1 100 . 1 1 8 8 LEU N N 15 131.927 0.2 . 1 . . . . 8 LEU N . 15881 1 101 . 1 1 9 9 ALA H H 1 8.423 0.02 . 1 . . . . 9 ALA H . 15881 1 102 . 1 1 9 9 ALA HA H 1 4.244 0.004 . 1 . . . . 9 ALA HA . 15881 1 103 . 1 1 9 9 ALA HB1 H 1 1.374 0.02 . 1 . . . . 9 ALA QB . 15881 1 104 . 1 1 9 9 ALA HB2 H 1 1.374 0.02 . 1 . . . . 9 ALA QB . 15881 1 105 . 1 1 9 9 ALA HB3 H 1 1.374 0.02 . 1 . . . . 9 ALA QB . 15881 1 106 . 1 1 9 9 ALA C C 13 177.173 0.2 . 1 . . . . 9 ALA C . 15881 1 107 . 1 1 9 9 ALA CA C 13 51.794 0.2 . 1 . . . . 9 ALA CA . 15881 1 108 . 1 1 9 9 ALA CB C 13 20.811 0.2 . 1 . . . . 9 ALA CB . 15881 1 109 . 1 1 9 9 ALA N N 15 128.350 0.2 . 1 . . . . 9 ALA N . 15881 1 110 . 1 1 10 10 ASN H H 1 8.415 0.02 . 1 . . . . 10 ASN H . 15881 1 111 . 1 1 10 10 ASN HA H 1 4.312 0.02 . 1 . . . . 10 ASN HA . 15881 1 112 . 1 1 10 10 ASN HB2 H 1 2.911 0.02 . 2 . . . . 10 ASN HB2 . 15881 1 113 . 1 1 10 10 ASN HB3 H 1 2.749 0.02 . 2 . . . . 10 ASN HB3 . 15881 1 114 . 1 1 10 10 ASN HD21 H 1 7.736 0.02 . 2 . . . . 10 ASN HD21 . 15881 1 115 . 1 1 10 10 ASN HD22 H 1 6.768 0.02 . 2 . . . . 10 ASN HD22 . 15881 1 116 . 1 1 10 10 ASN C C 13 174.742 0.2 . 1 . . . . 10 ASN C . 15881 1 117 . 1 1 10 10 ASN CA C 13 54.445 0.2 . 1 . . . . 10 ASN CA . 15881 1 118 . 1 1 10 10 ASN CB C 13 36.688 0.2 . 1 . . . . 10 ASN CB . 15881 1 119 . 1 1 10 10 ASN N N 15 111.224 0.2 . 1 . . . . 10 ASN N . 15881 1 120 . 1 1 10 10 ASN ND2 N 15 116.635 0.007 . 1 . . . . 10 ASN ND2 . 15881 1 121 . 1 1 11 11 GLN H H 1 8.072 0.02 . 1 . . . . 11 GLN H . 15881 1 122 . 1 1 11 11 GLN HA H 1 4.254 0.002 . 1 . . . . 11 GLN HA . 15881 1 123 . 1 1 11 11 GLN HB2 H 1 2.068 0.02 . 2 . . . . 11 GLN HB2 . 15881 1 124 . 1 1 11 11 GLN HB3 H 1 2.068 0.02 . 2 . . . . 11 GLN HB3 . 15881 1 125 . 1 1 11 11 GLN HE21 H 1 7.444 0.02 . 2 . . . . 11 GLN HE21 . 15881 1 126 . 1 1 11 11 GLN HE22 H 1 6.846 0.02 . 2 . . . . 11 GLN HE22 . 15881 1 127 . 1 1 11 11 GLN HG2 H 1 1.982 0.002 . 2 . . . . 11 GLN HG2 . 15881 1 128 . 1 1 11 11 GLN HG3 H 1 1.982 0.002 . 2 . . . . 11 GLN HG3 . 15881 1 129 . 1 1 11 11 GLN C C 13 174.742 0.2 . 1 . . . . 11 GLN C . 15881 1 130 . 1 1 11 11 GLN CA C 13 53.520 0.003 . 1 . . . . 11 GLN CA . 15881 1 131 . 1 1 11 11 GLN CB C 13 29.929 0.2 . 1 . . . . 11 GLN CB . 15881 1 132 . 1 1 11 11 GLN CG C 13 34.025 0.2 . 1 . . . . 11 GLN CG . 15881 1 133 . 1 1 11 11 GLN N N 15 116.568 0.2 . 1 . . . . 11 GLN N . 15881 1 134 . 1 1 11 11 GLN NE2 N 15 118.055 0.017 . 1 . . . . 11 GLN NE2 . 15881 1 135 . 1 1 12 12 ASN H H 1 8.188 0.02 . 1 . . . . 12 ASN H . 15881 1 136 . 1 1 12 12 ASN HA H 1 4.733 0.02 . 1 . . . . 12 ASN HA . 15881 1 137 . 1 1 12 12 ASN HB2 H 1 2.785 0.02 . 2 . . . . 12 ASN HB2 . 15881 1 138 . 1 1 12 12 ASN HB3 H 1 2.564 0.02 . 2 . . . . 12 ASN HB3 . 15881 1 139 . 1 1 12 12 ASN HD21 H 1 7.487 0.02 . 2 . . . . 12 ASN HD21 . 15881 1 140 . 1 1 12 12 ASN HD22 H 1 6.749 0.02 . 2 . . . . 12 ASN HD22 . 15881 1 141 . 1 1 12 12 ASN CA C 13 50.276 0.2 . 1 . . . . 12 ASN CA . 15881 1 142 . 1 1 12 12 ASN CB C 13 40.915 0.2 . 1 . . . . 12 ASN CB . 15881 1 143 . 1 1 12 12 ASN N N 15 119.253 0.2 . 1 . . . . 12 ASN N . 15881 1 144 . 1 1 12 12 ASN ND2 N 15 112.699 0.2 . 1 . . . . 12 ASN ND2 . 15881 1 145 . 1 1 13 13 PRO HA H 1 4.786 0.002 . 1 . . . . 13 PRO HA . 15881 1 146 . 1 1 13 13 PRO HB2 H 1 2.435 0.02 . 2 . . . . 13 PRO HB2 . 15881 1 147 . 1 1 13 13 PRO HB3 H 1 2.099 0.001 . 2 . . . . 13 PRO HB3 . 15881 1 148 . 1 1 13 13 PRO HD2 H 1 3.561 0.02 . 2 . . . . 13 PRO HD2 . 15881 1 149 . 1 1 13 13 PRO HD3 H 1 3.476 0.02 . 2 . . . . 13 PRO HD3 . 15881 1 150 . 1 1 13 13 PRO HG2 H 1 1.927 0.02 . 2 . . . . 13 PRO HG2 . 15881 1 151 . 1 1 13 13 PRO HG3 H 1 1.851 0.02 . 2 . . . . 13 PRO HG3 . 15881 1 152 . 1 1 13 13 PRO C C 13 175.248 0.2 . 1 . . . . 13 PRO C . 15881 1 153 . 1 1 13 13 PRO CA C 13 62.960 0.2 . 1 . . . . 13 PRO CA . 15881 1 154 . 1 1 13 13 PRO CB C 13 34.572 0.2 . 1 . . . . 13 PRO CB . 15881 1 155 . 1 1 13 13 PRO CD C 13 50.112 0.2 . 1 . . . . 13 PRO CD . 15881 1 156 . 1 1 13 13 PRO CG C 13 25.265 0.2 . 1 . . . . 13 PRO CG . 15881 1 157 . 1 1 13 13 PRO N N 15 139.63 0.2 . 1 . . . . 13 PRO N . 15881 1 158 . 1 1 14 14 VAL H H 1 8.091 0.02 . 1 . . . . 14 VAL H . 15881 1 159 . 1 1 14 14 VAL HA H 1 3.571 0.02 . 1 . . . . 14 VAL HA . 15881 1 160 . 1 1 14 14 VAL HB H 1 1.940 0.02 . 1 . . . . 14 VAL HB . 15881 1 161 . 1 1 14 14 VAL HG11 H 1 1.060 0.02 . 2 . . . . 14 VAL QG1 . 15881 1 162 . 1 1 14 14 VAL HG12 H 1 1.060 0.02 . 2 . . . . 14 VAL QG1 . 15881 1 163 . 1 1 14 14 VAL HG13 H 1 1.060 0.02 . 2 . . . . 14 VAL QG1 . 15881 1 164 . 1 1 14 14 VAL HG21 H 1 0.928 0.02 . 2 . . . . 14 VAL QG2 . 15881 1 165 . 1 1 14 14 VAL HG22 H 1 0.928 0.02 . 2 . . . . 14 VAL QG2 . 15881 1 166 . 1 1 14 14 VAL HG23 H 1 0.928 0.02 . 2 . . . . 14 VAL QG2 . 15881 1 167 . 1 1 14 14 VAL C C 13 175.690 0.2 . 1 . . . . 14 VAL C . 15881 1 168 . 1 1 14 14 VAL CA C 13 63.708 0.2 . 1 . . . . 14 VAL CA . 15881 1 169 . 1 1 14 14 VAL CB C 13 32.309 0.026 . 1 . . . . 14 VAL CB . 15881 1 170 . 1 1 14 14 VAL CG1 C 13 21.113 0.2 . 1 . . . . 14 VAL CG1 . 15881 1 171 . 1 1 14 14 VAL CG2 C 13 20.913 0.2 . 1 . . . . 14 VAL CG2 . 15881 1 172 . 1 1 14 14 VAL N N 15 119.047 0.2 . 1 . . . . 14 VAL N . 15881 1 173 . 1 1 15 15 CYS H H 1 8.543 0.02 . 1 . . . . 15 CYS H . 15881 1 174 . 1 1 15 15 CYS HA H 1 4.749 0.02 . 1 . . . . 15 CYS HA . 15881 1 175 . 1 1 15 15 CYS HB2 H 1 3.338 0.02 . 2 . . . . 15 CYS HB2 . 15881 1 176 . 1 1 15 15 CYS HB3 H 1 3.008 0.02 . 2 . . . . 15 CYS HB3 . 15881 1 177 . 1 1 15 15 CYS C C 13 175.145 0.2 . 1 . . . . 15 CYS C . 15881 1 178 . 1 1 15 15 CYS CA C 13 54.289 0.010 . 1 . . . . 15 CYS CA . 15881 1 179 . 1 1 15 15 CYS CB C 13 42.643 0.2 . 1 . . . . 15 CYS CB . 15881 1 180 . 1 1 15 15 CYS N N 15 127.160 0.2 . 1 . . . . 15 CYS N . 15881 1 181 . 1 1 16 16 ALA H H 1 8.791 0.02 . 1 . . . . 16 ALA H . 15881 1 182 . 1 1 16 16 ALA HA H 1 4.351 0.02 . 1 . . . . 16 ALA HA . 15881 1 183 . 1 1 16 16 ALA HB1 H 1 1.510 0.02 . 1 . . . . 16 ALA QB . 15881 1 184 . 1 1 16 16 ALA HB2 H 1 1.510 0.02 . 1 . . . . 16 ALA QB . 15881 1 185 . 1 1 16 16 ALA HB3 H 1 1.510 0.02 . 1 . . . . 16 ALA QB . 15881 1 186 . 1 1 16 16 ALA C C 13 178.194 0.2 . 1 . . . . 16 ALA C . 15881 1 187 . 1 1 16 16 ALA CA C 13 52.450 0.2 . 1 . . . . 16 ALA CA . 15881 1 188 . 1 1 16 16 ALA CB C 13 18.816 0.007 . 1 . . . . 16 ALA CB . 15881 1 189 . 1 1 16 16 ALA N N 15 135.491 0.2 . 1 . . . . 16 ALA N . 15881 1 190 . 1 1 17 17 SER H H 1 8.461 0.02 . 1 . . . . 17 SER H . 15881 1 191 . 1 1 17 17 SER HA H 1 4.824 0.02 . 1 . . . . 17 SER HA . 15881 1 192 . 1 1 17 17 SER HB2 H 1 3.756 0.02 . 2 . . . . 17 SER HB2 . 15881 1 193 . 1 1 17 17 SER HB3 H 1 3.624 0.02 . 2 . . . . 17 SER HB3 . 15881 1 194 . 1 1 17 17 SER C C 13 173.652 0.2 . 1 . . . . 17 SER C . 15881 1 195 . 1 1 17 17 SER CA C 13 59.662 0.2 . 1 . . . . 17 SER CA . 15881 1 196 . 1 1 17 17 SER CB C 13 63.872 0.021 . 1 . . . . 17 SER CB . 15881 1 197 . 1 1 17 17 SER N N 15 118.435 0.2 . 1 . . . . 17 SER N . 15881 1 198 . 1 1 18 18 VAL H H 1 8.816 0.02 . 1 . . . . 18 VAL H . 15881 1 199 . 1 1 18 18 VAL HA H 1 4.402 0.02 . 1 . . . . 18 VAL HA . 15881 1 200 . 1 1 18 18 VAL HB H 1 1.934 0.02 . 1 . . . . 18 VAL HB . 15881 1 201 . 1 1 18 18 VAL HG11 H 1 1.028 0.02 . 2 . . . . 18 VAL QG1 . 15881 1 202 . 1 1 18 18 VAL HG12 H 1 1.028 0.02 . 2 . . . . 18 VAL QG1 . 15881 1 203 . 1 1 18 18 VAL HG13 H 1 1.028 0.02 . 2 . . . . 18 VAL QG1 . 15881 1 204 . 1 1 18 18 VAL HG21 H 1 1.275 0.02 . 2 . . . . 18 VAL QG2 . 15881 1 205 . 1 1 18 18 VAL HG22 H 1 1.275 0.02 . 2 . . . . 18 VAL QG2 . 15881 1 206 . 1 1 18 18 VAL HG23 H 1 1.275 0.02 . 2 . . . . 18 VAL QG2 . 15881 1 207 . 1 1 18 18 VAL C C 13 175.280 0.2 . 1 . . . . 18 VAL C . 15881 1 208 . 1 1 18 18 VAL CA C 13 61.014 0.2 . 1 . . . . 18 VAL CA . 15881 1 209 . 1 1 18 18 VAL CB C 13 36.903 0.2 . 1 . . . . 18 VAL CB . 15881 1 210 . 1 1 18 18 VAL CG1 C 13 21.250 0.2 . 1 . . . . 18 VAL CG1 . 15881 1 211 . 1 1 18 18 VAL CG2 C 13 22.766 0.2 . 1 . . . . 18 VAL CG2 . 15881 1 212 . 1 1 18 18 VAL N N 15 122.730 0.2 . 1 . . . . 18 VAL N . 15881 1 213 . 1 1 19 19 ASP H H 1 8.929 0.02 . 1 . . . . 19 ASP H . 15881 1 214 . 1 1 19 19 ASP HA H 1 5.158 0.02 . 1 . . . . 19 ASP HA . 15881 1 215 . 1 1 19 19 ASP HB2 H 1 2.613 0.003 . 2 . . . . 19 ASP HB2 . 15881 1 216 . 1 1 19 19 ASP HB3 H 1 2.252 0.02 . 2 . . . . 19 ASP HB3 . 15881 1 217 . 1 1 19 19 ASP C C 13 174.460 0.2 . 1 . . . . 19 ASP C . 15881 1 218 . 1 1 19 19 ASP CA C 13 54.283 0.014 . 1 . . . . 19 ASP CA . 15881 1 219 . 1 1 19 19 ASP CB C 13 40.168 0.066 . 1 . . . . 19 ASP CB . 15881 1 220 . 1 1 19 19 ASP N N 15 130.612 0.2 . 1 . . . . 19 ASP N . 15881 1 221 . 1 1 20 20 VAL H H 1 8.844 0.02 . 1 . . . . 20 VAL H . 15881 1 222 . 1 1 20 20 VAL HA H 1 4.260 0.02 . 1 . . . . 20 VAL HA . 15881 1 223 . 1 1 20 20 VAL HB H 1 2.558 0.02 . 1 . . . . 20 VAL HB . 15881 1 224 . 1 1 20 20 VAL HG11 H 1 1.412 0.02 . 2 . . . . 20 VAL QG1 . 15881 1 225 . 1 1 20 20 VAL HG12 H 1 1.412 0.02 . 2 . . . . 20 VAL QG1 . 15881 1 226 . 1 1 20 20 VAL HG13 H 1 1.412 0.02 . 2 . . . . 20 VAL QG1 . 15881 1 227 . 1 1 20 20 VAL HG21 H 1 1.160 0.02 . 2 . . . . 20 VAL QG2 . 15881 1 228 . 1 1 20 20 VAL HG22 H 1 1.160 0.02 . 2 . . . . 20 VAL QG2 . 15881 1 229 . 1 1 20 20 VAL HG23 H 1 1.160 0.02 . 2 . . . . 20 VAL QG2 . 15881 1 230 . 1 1 20 20 VAL C C 13 175.651 0.2 . 1 . . . . 20 VAL C . 15881 1 231 . 1 1 20 20 VAL CA C 13 62.166 0.2 . 1 . . . . 20 VAL CA . 15881 1 232 . 1 1 20 20 VAL CB C 13 33.773 0.010 . 1 . . . . 20 VAL CB . 15881 1 233 . 1 1 20 20 VAL CG1 C 13 22.132 0.2 . 1 . . . . 20 VAL CG1 . 15881 1 234 . 1 1 20 20 VAL CG2 C 13 21.872 0.2 . 1 . . . . 20 VAL CG2 . 15881 1 235 . 1 1 20 20 VAL N N 15 129.383 0.2 . 1 . . . . 20 VAL N . 15881 1 236 . 1 1 21 21 ILE H H 1 9.370 0.02 . 1 . . . . 21 ILE H . 15881 1 237 . 1 1 21 21 ILE HA H 1 4.113 0.003 . 1 . . . . 21 ILE HA . 15881 1 238 . 1 1 21 21 ILE HB H 1 1.924 0.001 . 1 . . . . 21 ILE HB . 15881 1 239 . 1 1 21 21 ILE HD11 H 1 0.842 0.02 . 1 . . . . 21 ILE QD1 . 15881 1 240 . 1 1 21 21 ILE HD12 H 1 0.842 0.02 . 1 . . . . 21 ILE QD1 . 15881 1 241 . 1 1 21 21 ILE HD13 H 1 0.842 0.02 . 1 . . . . 21 ILE QD1 . 15881 1 242 . 1 1 21 21 ILE HG12 H 1 1.654 0.02 . 2 . . . . 21 ILE HG12 . 15881 1 243 . 1 1 21 21 ILE HG13 H 1 1.341 0.02 . 2 . . . . 21 ILE HG13 . 15881 1 244 . 1 1 21 21 ILE HG21 H 1 1.316 0.02 . 1 . . . . 21 ILE QG2 . 15881 1 245 . 1 1 21 21 ILE HG22 H 1 1.316 0.02 . 1 . . . . 21 ILE QG2 . 15881 1 246 . 1 1 21 21 ILE HG23 H 1 1.316 0.02 . 1 . . . . 21 ILE QG2 . 15881 1 247 . 1 1 21 21 ILE C C 13 177.401 0.2 . 1 . . . . 21 ILE C . 15881 1 248 . 1 1 21 21 ILE CA C 13 61.525 0.2 . 1 . . . . 21 ILE CA . 15881 1 249 . 1 1 21 21 ILE CB C 13 37.486 0.2 . 1 . . . . 21 ILE CB . 15881 1 250 . 1 1 21 21 ILE CD1 C 13 11.806 0.2 . 1 . . . . 21 ILE CD1 . 15881 1 251 . 1 1 21 21 ILE CG1 C 13 28.507 0.026 . 1 . . . . 21 ILE CG1 . 15881 1 252 . 1 1 21 21 ILE CG2 C 13 17.487 0.2 . 1 . . . . 21 ILE CG2 . 15881 1 253 . 1 1 21 21 ILE N N 15 131.551 0.2 . 1 . . . . 21 ILE N . 15881 1 254 . 1 1 22 22 GLN H H 1 8.394 0.02 . 1 . . . . 22 GLN H . 15881 1 255 . 1 1 22 22 GLN HA H 1 4.315 0.001 . 1 . . . . 22 GLN HA . 15881 1 256 . 1 1 22 22 GLN HB2 H 1 2.467 0.02 . 2 . . . . 22 GLN HB2 . 15881 1 257 . 1 1 22 22 GLN HB3 H 1 2.122 0.02 . 2 . . . . 22 GLN HB3 . 15881 1 258 . 1 1 22 22 GLN HE21 H 1 7.436 0.02 . 2 . . . . 22 GLN HE21 . 15881 1 259 . 1 1 22 22 GLN HE22 H 1 6.608 0.02 . 2 . . . . 22 GLN HE22 . 15881 1 260 . 1 1 22 22 GLN HG2 H 1 2.917 0.02 . 2 . . . . 22 GLN HG2 . 15881 1 261 . 1 1 22 22 GLN HG3 H 1 2.658 0.02 . 2 . . . . 22 GLN HG3 . 15881 1 262 . 1 1 22 22 GLN C C 13 173.999 0.2 . 1 . . . . 22 GLN C . 15881 1 263 . 1 1 22 22 GLN CA C 13 57.649 0.2 . 1 . . . . 22 GLN CA . 15881 1 264 . 1 1 22 22 GLN CB C 13 28.012 0.2 . 1 . . . . 22 GLN CB . 15881 1 265 . 1 1 22 22 GLN CG C 13 31.706 0.2 . 1 . . . . 22 GLN CG . 15881 1 266 . 1 1 22 22 GLN N N 15 125.815 0.2 . 1 . . . . 22 GLN N . 15881 1 267 . 1 1 22 22 GLN NE2 N 15 108.276 0.008 . 1 . . . . 22 GLN NE2 . 15881 1 268 . 1 1 23 23 ASN H H 1 9.592 0.02 . 1 . . . . 23 ASN H . 15881 1 269 . 1 1 23 23 ASN HA H 1 4.563 0.02 . 1 . . . . 23 ASN HA . 15881 1 270 . 1 1 23 23 ASN HB2 H 1 3.344 0.002 . 2 . . . . 23 ASN HB2 . 15881 1 271 . 1 1 23 23 ASN HB3 H 1 2.920 0.02 . 2 . . . . 23 ASN HB3 . 15881 1 272 . 1 1 23 23 ASN HD21 H 1 7.667 0.02 . 2 . . . . 23 ASN HD21 . 15881 1 273 . 1 1 23 23 ASN HD22 H 1 6.776 0.02 . 2 . . . . 23 ASN HD22 . 15881 1 274 . 1 1 23 23 ASN C C 13 175.248 0.2 . 1 . . . . 23 ASN C . 15881 1 275 . 1 1 23 23 ASN CA C 13 54.965 0.034 . 1 . . . . 23 ASN CA . 15881 1 276 . 1 1 23 23 ASN CB C 13 39.627 0.069 . 1 . . . . 23 ASN CB . 15881 1 277 . 1 1 23 23 ASN N N 15 118.650 0.2 . 1 . . . . 23 ASN N . 15881 1 278 . 1 1 23 23 ASN ND2 N 15 110.811 0.003 . 1 . . . . 23 ASN ND2 . 15881 1 279 . 1 1 24 24 VAL H H 1 7.921 0.02 . 1 . . . . 24 VAL H . 15881 1 280 . 1 1 24 24 VAL HA H 1 4.200 0.02 . 1 . . . . 24 VAL HA . 15881 1 281 . 1 1 24 24 VAL HB H 1 2.143 0.02 . 1 . . . . 24 VAL HB . 15881 1 282 . 1 1 24 24 VAL HG11 H 1 0.953 0.02 . 2 . . . . 24 VAL QG1 . 15881 1 283 . 1 1 24 24 VAL HG12 H 1 0.953 0.02 . 2 . . . . 24 VAL QG1 . 15881 1 284 . 1 1 24 24 VAL HG13 H 1 0.953 0.02 . 2 . . . . 24 VAL QG1 . 15881 1 285 . 1 1 24 24 VAL HG21 H 1 0.992 0.02 . 2 . . . . 24 VAL QG2 . 15881 1 286 . 1 1 24 24 VAL HG22 H 1 0.992 0.02 . 2 . . . . 24 VAL QG2 . 15881 1 287 . 1 1 24 24 VAL HG23 H 1 0.992 0.02 . 2 . . . . 24 VAL QG2 . 15881 1 288 . 1 1 24 24 VAL CA C 13 62.861 0.2 . 1 . . . . 24 VAL CA . 15881 1 289 . 1 1 24 24 VAL CB C 13 34.061 0.044 . 1 . . . . 24 VAL CB . 15881 1 290 . 1 1 24 24 VAL CG1 C 13 20.587 0.2 . 1 . . . . 24 VAL CG1 . 15881 1 291 . 1 1 24 24 VAL CG2 C 13 21.632 0.2 . 1 . . . . 24 VAL CG2 . 15881 1 292 . 1 1 24 24 VAL N N 15 122.439 0.2 . 1 . . . . 24 VAL N . 15881 1 293 . 1 1 25 25 CYS H H 1 9.503 0.02 . 1 . . . . 25 CYS H . 15881 1 294 . 1 1 25 25 CYS HA H 1 4.759 0.02 . 1 . . . . 25 CYS HA . 15881 1 295 . 1 1 25 25 CYS HB2 H 1 2.942 0.02 . 2 . . . . 25 CYS HB2 . 15881 1 296 . 1 1 25 25 CYS HB3 H 1 2.589 0.02 . 2 . . . . 25 CYS HB3 . 15881 1 297 . 1 1 25 25 CYS C C 13 174.300 0.2 . 1 . . . . 25 CYS C . 15881 1 298 . 1 1 25 25 CYS CA C 13 56.730 0.007 . 1 . . . . 25 CYS CA . 15881 1 299 . 1 1 25 25 CYS CB C 13 37.624 0.2 . 1 . . . . 25 CYS CB . 15881 1 300 . 1 1 25 25 CYS N N 15 134.902 0.2 . 1 . . . . 25 CYS N . 15881 1 301 . 1 1 26 26 THR H H 1 9.780 0.02 . 1 . . . . 26 THR H . 15881 1 302 . 1 1 26 26 THR HA H 1 4.793 0.02 . 1 . . . . 26 THR HA . 15881 1 303 . 1 1 26 26 THR HB H 1 3.903 0.02 . 1 . . . . 26 THR HB . 15881 1 304 . 1 1 26 26 THR HG21 H 1 1.447 0.02 . 1 . . . . 26 THR QG2 . 15881 1 305 . 1 1 26 26 THR HG22 H 1 1.447 0.02 . 1 . . . . 26 THR QG2 . 15881 1 306 . 1 1 26 26 THR HG23 H 1 1.447 0.02 . 1 . . . . 26 THR QG2 . 15881 1 307 . 1 1 26 26 THR C C 13 171.724 0.2 . 1 . . . . 26 THR C . 15881 1 308 . 1 1 26 26 THR CA C 13 63.163 0.2 . 1 . . . . 26 THR CA . 15881 1 309 . 1 1 26 26 THR CB C 13 71.610 0.019 . 1 . . . . 26 THR CB . 15881 1 310 . 1 1 26 26 THR CG2 C 13 21.535 0.2 . 1 . . . . 26 THR CG2 . 15881 1 311 . 1 1 26 26 THR N N 15 130.226 0.2 . 1 . . . . 26 THR N . 15881 1 312 . 1 1 27 27 GLU H H 1 8.968 0.02 . 1 . . . . 27 GLU H . 15881 1 313 . 1 1 27 27 GLU HA H 1 4.835 0.02 . 1 . . . . 27 GLU HA . 15881 1 314 . 1 1 27 27 GLU HB2 H 1 2.122 0.02 . 2 . . . . 27 GLU HB2 . 15881 1 315 . 1 1 27 27 GLU HB3 H 1 2.122 0.02 . 2 . . . . 27 GLU HB3 . 15881 1 316 . 1 1 27 27 GLU HG2 H 1 1.962 0.02 . 2 . . . . 27 GLU HG2 . 15881 1 317 . 1 1 27 27 GLU HG3 H 1 1.824 0.02 . 2 . . . . 27 GLU HG3 . 15881 1 318 . 1 1 27 27 GLU C C 13 175.491 0.2 . 1 . . . . 27 GLU C . 15881 1 319 . 1 1 27 27 GLU CA C 13 55.295 0.2 . 1 . . . . 27 GLU CA . 15881 1 320 . 1 1 27 27 GLU CB C 13 30.230 0.055 . 1 . . . . 27 GLU CB . 15881 1 321 . 1 1 27 27 GLU CG C 13 35.852 0.2 . 1 . . . . 27 GLU CG . 15881 1 322 . 1 1 27 27 GLU N N 15 129.478 0.2 . 1 . . . . 27 GLU N . 15881 1 323 . 1 1 28 28 VAL H H 1 9.467 0.02 . 1 . . . . 28 VAL H . 15881 1 324 . 1 1 28 28 VAL HA H 1 4.277 0.02 . 1 . . . . 28 VAL HA . 15881 1 325 . 1 1 28 28 VAL HB H 1 2.412 0.02 . 1 . . . . 28 VAL HB . 15881 1 326 . 1 1 28 28 VAL HG11 H 1 1.175 0.02 . 2 . . . . 28 VAL QG1 . 15881 1 327 . 1 1 28 28 VAL HG12 H 1 1.175 0.02 . 2 . . . . 28 VAL QG1 . 15881 1 328 . 1 1 28 28 VAL HG13 H 1 1.175 0.02 . 2 . . . . 28 VAL QG1 . 15881 1 329 . 1 1 28 28 VAL HG21 H 1 0.949 0.02 . 2 . . . . 28 VAL QG2 . 15881 1 330 . 1 1 28 28 VAL HG22 H 1 0.949 0.02 . 2 . . . . 28 VAL QG2 . 15881 1 331 . 1 1 28 28 VAL HG23 H 1 0.949 0.02 . 2 . . . . 28 VAL QG2 . 15881 1 332 . 1 1 28 28 VAL C C 13 174.851 0.2 . 1 . . . . 28 VAL C . 15881 1 333 . 1 1 28 28 VAL CA C 13 62.198 0.2 . 1 . . . . 28 VAL CA . 15881 1 334 . 1 1 28 28 VAL CB C 13 33.871 0.2 . 1 . . . . 28 VAL CB . 15881 1 335 . 1 1 28 28 VAL CG1 C 13 21.632 0.2 . 1 . . . . 28 VAL CG1 . 15881 1 336 . 1 1 28 28 VAL CG2 C 13 20.943 0.2 . 1 . . . . 28 VAL CG2 . 15881 1 337 . 1 1 28 28 VAL N N 15 129.684 0.2 . 1 . . . . 28 VAL N . 15881 1 338 . 1 1 29 29 CYS H H 1 9.516 0.02 . 1 . . . . 29 CYS H . 15881 1 339 . 1 1 29 29 CYS HA H 1 3.884 0.02 . 1 . . . . 29 CYS HA . 15881 1 340 . 1 1 29 29 CYS HB2 H 1 3.822 0.02 . 2 . . . . 29 CYS HB2 . 15881 1 341 . 1 1 29 29 CYS HB3 H 1 2.937 0.004 . 2 . . . . 29 CYS HB3 . 15881 1 342 . 1 1 29 29 CYS C C 13 174.755 0.2 . 1 . . . . 29 CYS C . 15881 1 343 . 1 1 29 29 CYS CA C 13 56.374 0.2 . 1 . . . . 29 CYS CA . 15881 1 344 . 1 1 29 29 CYS CB C 13 44.340 0.2 . 1 . . . . 29 CYS CB . 15881 1 345 . 1 1 29 29 CYS N N 15 123.503 0.2 . 1 . . . . 29 CYS N . 15881 1 346 . 1 1 30 30 GLY H H 1 8.349 0.02 . 1 . . . . 30 GLY H . 15881 1 347 . 1 1 30 30 GLY HA2 H 1 3.601 0.02 . 2 . . . . 30 GLY HA2 . 15881 1 348 . 1 1 30 30 GLY HA3 H 1 4.041 0.001 . 2 . . . . 30 GLY HA3 . 15881 1 349 . 1 1 30 30 GLY C C 13 172.601 0.2 . 1 . . . . 30 GLY C . 15881 1 350 . 1 1 30 30 GLY CA C 13 45.264 0.064 . 1 . . . . 30 GLY CA . 15881 1 351 . 1 1 30 30 GLY N N 15 104.781 0.2 . 1 . . . . 30 GLY N . 15881 1 352 . 1 1 31 31 ARG H H 1 7.733 0.02 . 1 . . . . 31 ARG H . 15881 1 353 . 1 1 31 31 ARG HA H 1 4.411 0.02 . 1 . . . . 31 ARG HA . 15881 1 354 . 1 1 31 31 ARG HB2 H 1 2.413 0.02 . 2 . . . . 31 ARG HB2 . 15881 1 355 . 1 1 31 31 ARG HB3 H 1 1.986 0.02 . 2 . . . . 31 ARG HB3 . 15881 1 356 . 1 1 31 31 ARG HD2 H 1 3.337 0.02 . 2 . . . . 31 ARG HD2 . 15881 1 357 . 1 1 31 31 ARG HD3 H 1 2.932 0.02 . 2 . . . . 31 ARG HD3 . 15881 1 358 . 1 1 31 31 ARG HE H 1 8.370 0.02 . 1 . . . . 31 ARG HE . 15881 1 359 . 1 1 31 31 ARG HG2 H 1 1.776 0.02 . 2 . . . . 31 ARG HG2 . 15881 1 360 . 1 1 31 31 ARG HG3 H 1 1.649 0.02 . 2 . . . . 31 ARG HG3 . 15881 1 361 . 1 1 31 31 ARG C C 13 174.165 0.2 . 1 . . . . 31 ARG C . 15881 1 362 . 1 1 31 31 ARG CA C 13 53.651 0.2 . 1 . . . . 31 ARG CA . 15881 1 363 . 1 1 31 31 ARG CB C 13 33.664 0.2 . 1 . . . . 31 ARG CB . 15881 1 364 . 1 1 31 31 ARG CD C 13 43.635 0.2 . 1 . . . . 31 ARG CD . 15881 1 365 . 1 1 31 31 ARG CG C 13 27.003 0.2 . 1 . . . . 31 ARG CG . 15881 1 366 . 1 1 31 31 ARG N N 15 121.656 0.2 . 1 . . . . 31 ARG N . 15881 1 367 . 1 1 31 31 ARG NE N 15 121.662 0.2 . 1 . . . . 31 ARG NE . 15881 1 368 . 1 1 32 32 PHE H H 1 8.124 0.02 . 1 . . . . 32 PHE H . 15881 1 369 . 1 1 32 32 PHE HA H 1 5.352 0.02 . 1 . . . . 32 PHE HA . 15881 1 370 . 1 1 32 32 PHE HB2 H 1 2.754 0.02 . 2 . . . . 32 PHE HB2 . 15881 1 371 . 1 1 32 32 PHE HB3 H 1 2.754 0.02 . 2 . . . . 32 PHE HB3 . 15881 1 372 . 1 1 32 32 PHE HD1 H 1 6.884 0.02 . 1 . . . . 32 PHE HD1 . 15881 1 373 . 1 1 32 32 PHE HD2 H 1 6.884 0.02 . 1 . . . . 32 PHE HD2 . 15881 1 374 . 1 1 32 32 PHE HE1 H 1 7.283 0.02 . 1 . . . . 32 PHE HE1 . 15881 1 375 . 1 1 32 32 PHE HE2 H 1 7.283 0.02 . 1 . . . . 32 PHE HE2 . 15881 1 376 . 1 1 32 32 PHE HZ H 1 6.882 0.02 . 1 . . . . 32 PHE HZ . 15881 1 377 . 1 1 32 32 PHE C C 13 175.402 0.2 . 1 . . . . 32 PHE C . 15881 1 378 . 1 1 32 32 PHE CA C 13 57.345 0.2 . 1 . . . . 32 PHE CA . 15881 1 379 . 1 1 32 32 PHE CB C 13 41.571 0.2 . 1 . . . . 32 PHE CB . 15881 1 380 . 1 1 32 32 PHE CD1 C 13 131.180 0.2 . 1 . . . . 32 PHE CD1 . 15881 1 381 . 1 1 32 32 PHE CE1 C 13 129.238 0.2 . 1 . . . . 32 PHE CE1 . 15881 1 382 . 1 1 32 32 PHE CZ C 13 131.276 0.2 . 1 . . . . 32 PHE CZ . 15881 1 383 . 1 1 32 32 PHE N N 15 119.564 0.2 . 1 . . . . 32 PHE N . 15881 1 384 . 1 1 33 33 VAL H H 1 9.084 0.02 . 1 . . . . 33 VAL H . 15881 1 385 . 1 1 33 33 VAL HA H 1 5.361 0.02 . 1 . . . . 33 VAL HA . 15881 1 386 . 1 1 33 33 VAL HB H 1 1.523 0.02 . 1 . . . . 33 VAL HB . 15881 1 387 . 1 1 33 33 VAL HG11 H 1 -0.121 0.02 . 2 . . . . 33 VAL QG1 . 15881 1 388 . 1 1 33 33 VAL HG12 H 1 -0.121 0.02 . 2 . . . . 33 VAL QG1 . 15881 1 389 . 1 1 33 33 VAL HG13 H 1 -0.121 0.02 . 2 . . . . 33 VAL QG1 . 15881 1 390 . 1 1 33 33 VAL HG21 H 1 0.747 0.001 . 2 . . . . 33 VAL QG2 . 15881 1 391 . 1 1 33 33 VAL HG22 H 1 0.747 0.001 . 2 . . . . 33 VAL QG2 . 15881 1 392 . 1 1 33 33 VAL HG23 H 1 0.747 0.001 . 2 . . . . 33 VAL QG2 . 15881 1 393 . 1 1 33 33 VAL C C 13 174.107 0.2 . 1 . . . . 33 VAL C . 15881 1 394 . 1 1 33 33 VAL CA C 13 57.889 0.2 . 1 . . . . 33 VAL CA . 15881 1 395 . 1 1 33 33 VAL CB C 13 35.830 0.2 . 1 . . . . 33 VAL CB . 15881 1 396 . 1 1 33 33 VAL CG1 C 13 22.482 0.2 . 1 . . . . 33 VAL CG1 . 15881 1 397 . 1 1 33 33 VAL CG2 C 13 18.203 0.2 . 1 . . . . 33 VAL CG2 . 15881 1 398 . 1 1 33 33 VAL N N 15 115.555 0.2 . 1 . . . . 33 VAL N . 15881 1 399 . 1 1 34 34 ARG H H 1 7.748 0.02 . 1 . . . . 34 ARG H . 15881 1 400 . 1 1 34 34 ARG HA H 1 4.472 0.005 . 1 . . . . 34 ARG HA . 15881 1 401 . 1 1 34 34 ARG HB2 H 1 1.914 0.02 . 2 . . . . 34 ARG HB2 . 15881 1 402 . 1 1 34 34 ARG HB3 H 1 1.734 0.02 . 2 . . . . 34 ARG HB3 . 15881 1 403 . 1 1 34 34 ARG HD2 H 1 2.904 0.02 . 2 . . . . 34 ARG HD2 . 15881 1 404 . 1 1 34 34 ARG HD3 H 1 2.781 0.02 . 2 . . . . 34 ARG HD3 . 15881 1 405 . 1 1 34 34 ARG HE H 1 6.109 0.02 . 1 . . . . 34 ARG HE . 15881 1 406 . 1 1 34 34 ARG HG2 H 1 1.466 0.02 . 2 . . . . 34 ARG HG2 . 15881 1 407 . 1 1 34 34 ARG HG3 H 1 1.336 0.02 . 2 . . . . 34 ARG HG3 . 15881 1 408 . 1 1 34 34 ARG C C 13 174.088 0.2 . 1 . . . . 34 ARG C . 15881 1 409 . 1 1 34 34 ARG CA C 13 56.139 0.2 . 1 . . . . 34 ARG CA . 15881 1 410 . 1 1 34 34 ARG CB C 13 36.603 0.2 . 1 . . . . 34 ARG CB . 15881 1 411 . 1 1 34 34 ARG CD C 13 44.679 0.2 . 1 . . . . 34 ARG CD . 15881 1 412 . 1 1 34 34 ARG CG C 13 28.141 0.2 . 1 . . . . 34 ARG CG . 15881 1 413 . 1 1 34 34 ARG N N 15 117.878 0.2 . 1 . . . . 34 ARG N . 15881 1 414 . 1 1 34 34 ARG NE N 15 119.835 0.2 . 1 . . . . 34 ARG NE . 15881 1 415 . 1 1 35 35 TYR H H 1 9.713 0.02 . 1 . . . . 35 TYR H . 15881 1 416 . 1 1 35 35 TYR HA H 1 5.213 0.02 . 1 . . . . 35 TYR HA . 15881 1 417 . 1 1 35 35 TYR HB2 H 1 2.084 0.02 . 2 . . . . 35 TYR HB2 . 15881 1 418 . 1 1 35 35 TYR HB3 H 1 2.699 0.004 . 2 . . . . 35 TYR HB3 . 15881 1 419 . 1 1 35 35 TYR HD1 H 1 6.509 0.02 . 1 . . . . 35 TYR HD1 . 15881 1 420 . 1 1 35 35 TYR HD2 H 1 6.509 0.02 . 1 . . . . 35 TYR HD2 . 15881 1 421 . 1 1 35 35 TYR HE1 H 1 6.378 0.02 . 1 . . . . 35 TYR HE1 . 15881 1 422 . 1 1 35 35 TYR HE2 H 1 6.378 0.02 . 1 . . . . 35 TYR HE2 . 15881 1 423 . 1 1 35 35 TYR C C 13 176.010 0.2 . 1 . . . . 35 TYR C . 15881 1 424 . 1 1 35 35 TYR CA C 13 56.626 0.005 . 1 . . . . 35 TYR CA . 15881 1 425 . 1 1 35 35 TYR CB C 13 41.628 0.013 . 1 . . . . 35 TYR CB . 15881 1 426 . 1 1 35 35 TYR CE1 C 13 117.606 0.2 . 1 . . . . 35 TYR CE1 . 15881 1 427 . 1 1 35 35 TYR N N 15 126.041 0.2 . 1 . . . . 35 TYR N . 15881 1 428 . 1 1 36 36 ILE H H 1 9.409 0.02 . 1 . . . . 36 ILE H . 15881 1 429 . 1 1 36 36 ILE HA H 1 4.955 0.02 . 1 . . . . 36 ILE HA . 15881 1 430 . 1 1 36 36 ILE HB H 1 1.850 0.02 . 1 . . . . 36 ILE HB . 15881 1 431 . 1 1 36 36 ILE HD11 H 1 0.899 0.02 . 1 . . . . 36 ILE QD1 . 15881 1 432 . 1 1 36 36 ILE HD12 H 1 0.899 0.02 . 1 . . . . 36 ILE QD1 . 15881 1 433 . 1 1 36 36 ILE HD13 H 1 0.899 0.02 . 1 . . . . 36 ILE QD1 . 15881 1 434 . 1 1 36 36 ILE HG12 H 1 1.664 0.02 . 2 . . . . 36 ILE HG12 . 15881 1 435 . 1 1 36 36 ILE HG13 H 1 1.072 0.02 . 2 . . . . 36 ILE HG13 . 15881 1 436 . 1 1 36 36 ILE HG21 H 1 1.050 0.001 . 1 . . . . 36 ILE QG2 . 15881 1 437 . 1 1 36 36 ILE HG22 H 1 1.050 0.001 . 1 . . . . 36 ILE QG2 . 15881 1 438 . 1 1 36 36 ILE HG23 H 1 1.050 0.001 . 1 . . . . 36 ILE QG2 . 15881 1 439 . 1 1 36 36 ILE CA C 13 58.404 0.2 . 1 . . . . 36 ILE CA . 15881 1 440 . 1 1 36 36 ILE CB C 13 40.923 0.2 . 1 . . . . 36 ILE CB . 15881 1 441 . 1 1 36 36 ILE CD1 C 13 13.531 0.2 . 1 . . . . 36 ILE CD1 . 15881 1 442 . 1 1 36 36 ILE CG1 C 13 27.632 0.2 . 1 . . . . 36 ILE CG1 . 15881 1 443 . 1 1 36 36 ILE CG2 C 13 16.833 0.2 . 1 . . . . 36 ILE CG2 . 15881 1 444 . 1 1 36 36 ILE N N 15 124.501 0.2 . 1 . . . . 36 ILE N . 15881 1 445 . 1 1 37 37 PRO HA H 1 4.341 0.02 . 1 . . . . 37 PRO HA . 15881 1 446 . 1 1 37 37 PRO HB2 H 1 2.249 0.02 . 2 . . . . 37 PRO HB2 . 15881 1 447 . 1 1 37 37 PRO HB3 H 1 1.838 0.02 . 2 . . . . 37 PRO HB3 . 15881 1 448 . 1 1 37 37 PRO HD2 H 1 4.036 0.007 . 2 . . . . 37 PRO HD2 . 15881 1 449 . 1 1 37 37 PRO HD3 H 1 4.036 0.007 . 2 . . . . 37 PRO HD3 . 15881 1 450 . 1 1 37 37 PRO HG2 H 1 2.258 0.02 . 2 . . . . 37 PRO HG2 . 15881 1 451 . 1 1 37 37 PRO HG3 H 1 2.208 0.004 . 2 . . . . 37 PRO HG3 . 15881 1 452 . 1 1 37 37 PRO C C 13 176.206 0.2 . 1 . . . . 37 PRO C . 15881 1 453 . 1 1 37 37 PRO CA C 13 62.385 0.2 . 1 . . . . 37 PRO CA . 15881 1 454 . 1 1 37 37 PRO CB C 13 32.179 0.2 . 1 . . . . 37 PRO CB . 15881 1 455 . 1 1 37 37 PRO CD C 13 51.936 0.2 . 1 . . . . 37 PRO CD . 15881 1 456 . 1 1 37 37 PRO CG C 13 27.084 0.2 . 1 . . . . 37 PRO CG . 15881 1 457 . 1 1 37 37 PRO N N 15 143.46 0.2 . 1 . . . . 37 PRO N . 15881 1 458 . 1 1 38 38 ASP H H 1 8.033 0.02 . 1 . . . . 38 ASP H . 15881 1 459 . 1 1 38 38 ASP HA H 1 4.438 0.004 . 1 . . . . 38 ASP HA . 15881 1 460 . 1 1 38 38 ASP HB2 H 1 2.916 0.005 . 2 . . . . 38 ASP HB2 . 15881 1 461 . 1 1 38 38 ASP HB3 H 1 2.365 0.02 . 2 . . . . 38 ASP HB3 . 15881 1 462 . 1 1 38 38 ASP CA C 13 54.276 0.2 . 1 . . . . 38 ASP CA . 15881 1 463 . 1 1 38 38 ASP CB C 13 43.294 0.2 . 1 . . . . 38 ASP CB . 15881 1 464 . 1 1 38 38 ASP N N 15 124.105 0.2 . 1 . . . . 38 ASP N . 15881 1 465 . 1 1 39 39 ALA H H 1 8.322 0.02 . 1 . . . . 39 ALA H . 15881 1 466 . 1 1 39 39 ALA HA H 1 4.110 0.02 . 1 . . . . 39 ALA HA . 15881 1 467 . 1 1 39 39 ALA HB1 H 1 1.452 0.02 . 1 . . . . 39 ALA QB . 15881 1 468 . 1 1 39 39 ALA HB2 H 1 1.452 0.02 . 1 . . . . 39 ALA QB . 15881 1 469 . 1 1 39 39 ALA HB3 H 1 1.452 0.02 . 1 . . . . 39 ALA QB . 15881 1 470 . 1 1 39 39 ALA C C 13 178.361 0.2 . 1 . . . . 39 ALA C . 15881 1 471 . 1 1 39 39 ALA CA C 13 54.310 0.2 . 1 . . . . 39 ALA CA . 15881 1 472 . 1 1 39 39 ALA CB C 13 19.326 0.003 . 1 . . . . 39 ALA CB . 15881 1 473 . 1 1 39 39 ALA N N 15 126.137 0.2 . 1 . . . . 39 ALA N . 15881 1 474 . 1 1 40 40 THR H H 1 8.235 0.02 . 1 . . . . 40 THR H . 15881 1 475 . 1 1 40 40 THR HA H 1 4.344 0.02 . 1 . . . . 40 THR HA . 15881 1 476 . 1 1 40 40 THR HB H 1 4.124 0.003 . 1 . . . . 40 THR HB . 15881 1 477 . 1 1 40 40 THR HG21 H 1 1.170 0.02 . 1 . . . . 40 THR QG2 . 15881 1 478 . 1 1 40 40 THR HG22 H 1 1.170 0.02 . 1 . . . . 40 THR QG2 . 15881 1 479 . 1 1 40 40 THR HG23 H 1 1.170 0.02 . 1 . . . . 40 THR QG2 . 15881 1 480 . 1 1 40 40 THR C C 13 174.261 0.2 . 1 . . . . 40 THR C . 15881 1 481 . 1 1 40 40 THR CA C 13 63.138 0.2 . 1 . . . . 40 THR CA . 15881 1 482 . 1 1 40 40 THR CB C 13 70.041 0.010 . 1 . . . . 40 THR CB . 15881 1 483 . 1 1 40 40 THR CG2 C 13 21.697 0.2 . 1 . . . . 40 THR CG2 . 15881 1 484 . 1 1 40 40 THR N N 15 110.517 0.2 . 1 . . . . 40 THR N . 15881 1 485 . 1 1 41 41 ASN H H 1 8.653 0.02 . 1 . . . . 41 ASN H . 15881 1 486 . 1 1 41 41 ASN HA H 1 4.842 0.02 . 1 . . . . 41 ASN HA . 15881 1 487 . 1 1 41 41 ASN HB2 H 1 2.629 0.001 . 2 . . . . 41 ASN HB2 . 15881 1 488 . 1 1 41 41 ASN HB3 H 1 2.586 0.02 . 2 . . . . 41 ASN HB3 . 15881 1 489 . 1 1 41 41 ASN HD21 H 1 7.483 0.02 . 2 . . . . 41 ASN HD21 . 15881 1 490 . 1 1 41 41 ASN HD22 H 1 6.780 0.02 . 2 . . . . 41 ASN HD22 . 15881 1 491 . 1 1 41 41 ASN C C 13 174.972 0.2 . 1 . . . . 41 ASN C . 15881 1 492 . 1 1 41 41 ASN CA C 13 52.349 0.042 . 1 . . . . 41 ASN CA . 15881 1 493 . 1 1 41 41 ASN CB C 13 38.725 0.2 . 1 . . . . 41 ASN CB . 15881 1 494 . 1 1 41 41 ASN N N 15 122.790 0.2 . 1 . . . . 41 ASN N . 15881 1 495 . 1 1 41 41 ASN ND2 N 15 113.517 0.005 . 1 . . . . 41 ASN ND2 . 15881 1 496 . 1 1 42 42 THR H H 1 8.181 0.02 . 1 . . . . 42 THR H . 15881 1 497 . 1 1 42 42 THR HA H 1 4.079 0.02 . 1 . . . . 42 THR HA . 15881 1 498 . 1 1 42 42 THR HB H 1 4.296 0.02 . 1 . . . . 42 THR HB . 15881 1 499 . 1 1 42 42 THR HG21 H 1 1.296 0.02 . 1 . . . . 42 THR QG2 . 15881 1 500 . 1 1 42 42 THR HG22 H 1 1.296 0.02 . 1 . . . . 42 THR QG2 . 15881 1 501 . 1 1 42 42 THR HG23 H 1 1.296 0.02 . 1 . . . . 42 THR QG2 . 15881 1 502 . 1 1 42 42 THR C C 13 174.383 0.2 . 1 . . . . 42 THR C . 15881 1 503 . 1 1 42 42 THR CA C 13 63.909 0.2 . 1 . . . . 42 THR CA . 15881 1 504 . 1 1 42 42 THR CB C 13 68.85 0.2 . 1 . . . . 42 THR CB . 15881 1 505 . 1 1 42 42 THR N N 15 117.110 0.2 . 1 . . . . 42 THR N . 15881 1 506 . 1 1 43 43 ASN H H 1 8.394 0.02 . 1 . . . . 43 ASN H . 15881 1 507 . 1 1 43 43 ASN HA H 1 4.815 0.02 . 1 . . . . 43 ASN HA . 15881 1 508 . 1 1 43 43 ASN HB2 H 1 3.466 0.004 . 2 . . . . 43 ASN HB2 . 15881 1 509 . 1 1 43 43 ASN HB3 H 1 3.143 0.02 . 2 . . . . 43 ASN HB3 . 15881 1 510 . 1 1 43 43 ASN HD21 H 1 7.690 0.02 . 2 . . . . 43 ASN HD21 . 15881 1 511 . 1 1 43 43 ASN HD22 H 1 7.090 0.02 . 2 . . . . 43 ASN HD22 . 15881 1 512 . 1 1 43 43 ASN C C 13 172.448 0.2 . 1 . . . . 43 ASN C . 15881 1 513 . 1 1 43 43 ASN CA C 13 54.097 0.2 . 1 . . . . 43 ASN CA . 15881 1 514 . 1 1 43 43 ASN CB C 13 38.450 0.2 . 1 . . . . 43 ASN CB . 15881 1 515 . 1 1 43 43 ASN N N 15 117.421 0.2 . 1 . . . . 43 ASN N . 15881 1 516 . 1 1 43 43 ASN ND2 N 15 114.774 0.007 . 1 . . . . 43 ASN ND2 . 15881 1 517 . 1 1 44 44 GLN H H 1 7.562 0.02 . 1 . . . . 44 GLN H . 15881 1 518 . 1 1 44 44 GLN HA H 1 5.051 0.02 . 1 . . . . 44 GLN HA . 15881 1 519 . 1 1 44 44 GLN HB2 H 1 1.686 0.02 . 2 . . . . 44 GLN HB2 . 15881 1 520 . 1 1 44 44 GLN HB3 H 1 1.903 0.003 . 2 . . . . 44 GLN HB3 . 15881 1 521 . 1 1 44 44 GLN HE21 H 1 7.276 0.02 . 2 . . . . 44 GLN HE21 . 15881 1 522 . 1 1 44 44 GLN HE22 H 1 6.668 0.02 . 2 . . . . 44 GLN HE22 . 15881 1 523 . 1 1 44 44 GLN HG2 H 1 1.999 0.02 . 2 . . . . 44 GLN HG2 . 15881 1 524 . 1 1 44 44 GLN HG3 H 1 1.999 0.02 . 2 . . . . 44 GLN HG3 . 15881 1 525 . 1 1 44 44 GLN C C 13 173.825 0.2 . 1 . . . . 44 GLN C . 15881 1 526 . 1 1 44 44 GLN CA C 13 54.513 0.009 . 1 . . . . 44 GLN CA . 15881 1 527 . 1 1 44 44 GLN CB C 13 31.580 0.2 . 1 . . . . 44 GLN CB . 15881 1 528 . 1 1 44 44 GLN CG C 13 34.871 0.2 . 1 . . . . 44 GLN CG . 15881 1 529 . 1 1 44 44 GLN N N 15 121.831 0.2 . 1 . . . . 44 GLN N . 15881 1 530 . 1 1 44 44 GLN NE2 N 15 112.810 0.005 . 1 . . . . 44 GLN NE2 . 15881 1 531 . 1 1 45 45 PHE H H 1 8.432 0.02 . 1 . . . . 45 PHE H . 15881 1 532 . 1 1 45 45 PHE HA H 1 4.901 0.003 . 1 . . . . 45 PHE HA . 15881 1 533 . 1 1 45 45 PHE HB2 H 1 1.769 0.02 . 2 . . . . 45 PHE HB2 . 15881 1 534 . 1 1 45 45 PHE HB3 H 1 2.284 0.02 . 2 . . . . 45 PHE HB3 . 15881 1 535 . 1 1 45 45 PHE HD1 H 1 6.699 0.02 . 1 . . . . 45 PHE HD1 . 15881 1 536 . 1 1 45 45 PHE HD2 H 1 6.699 0.02 . 1 . . . . 45 PHE HD2 . 15881 1 537 . 1 1 45 45 PHE C C 13 173.851 0.2 . 1 . . . . 45 PHE C . 15881 1 538 . 1 1 45 45 PHE CA C 13 56.114 0.2 . 1 . . . . 45 PHE CA . 15881 1 539 . 1 1 45 45 PHE CB C 13 44.473 0.2 . 1 . . . . 45 PHE CB . 15881 1 540 . 1 1 45 45 PHE CD1 C 13 132.127 0.2 . 1 . . . . 45 PHE CD1 . 15881 1 541 . 1 1 45 45 PHE N N 15 123.061 0.2 . 1 . . . . 45 PHE N . 15881 1 542 . 1 1 46 46 THR H H 1 8.881 0.02 . 1 . . . . 46 THR H . 15881 1 543 . 1 1 46 46 THR HA H 1 5.186 0.02 . 1 . . . . 46 THR HA . 15881 1 544 . 1 1 46 46 THR HB H 1 3.897 0.02 . 1 . . . . 46 THR HB . 15881 1 545 . 1 1 46 46 THR HG21 H 1 1.116 0.02 . 1 . . . . 46 THR QG2 . 15881 1 546 . 1 1 46 46 THR HG22 H 1 1.116 0.02 . 1 . . . . 46 THR QG2 . 15881 1 547 . 1 1 46 46 THR HG23 H 1 1.116 0.02 . 1 . . . . 46 THR QG2 . 15881 1 548 . 1 1 46 46 THR C C 13 174.024 0.2 . 1 . . . . 46 THR C . 15881 1 549 . 1 1 46 46 THR CA C 13 61.982 0.2 . 1 . . . . 46 THR CA . 15881 1 550 . 1 1 46 46 THR CB C 13 70.681 0.2 . 1 . . . . 46 THR CB . 15881 1 551 . 1 1 46 46 THR CG2 C 13 21.522 0.2 . 1 . . . . 46 THR CG2 . 15881 1 552 . 1 1 46 46 THR N N 15 115.775 0.2 . 1 . . . . 46 THR N . 15881 1 553 . 1 1 47 47 PHE H H 1 9.417 0.02 . 1 . . . . 47 PHE H . 15881 1 554 . 1 1 47 47 PHE HA H 1 4.946 0.001 . 1 . . . . 47 PHE HA . 15881 1 555 . 1 1 47 47 PHE HB2 H 1 2.792 0.02 . 2 . . . . 47 PHE HB2 . 15881 1 556 . 1 1 47 47 PHE HB3 H 1 2.697 0.02 . 2 . . . . 47 PHE HB3 . 15881 1 557 . 1 1 47 47 PHE HD1 H 1 5.870 0.02 . 1 . . . . 47 PHE HD1 . 15881 1 558 . 1 1 47 47 PHE HD2 H 1 5.870 0.02 . 1 . . . . 47 PHE HD2 . 15881 1 559 . 1 1 47 47 PHE HE1 H 1 6.142 0.02 . 1 . . . . 47 PHE HE1 . 15881 1 560 . 1 1 47 47 PHE HE2 H 1 6.142 0.02 . 1 . . . . 47 PHE HE2 . 15881 1 561 . 1 1 47 47 PHE C C 13 174.315 0.2 . 1 . . . . 47 PHE C . 15881 1 562 . 1 1 47 47 PHE CA C 13 56.094 0.2 . 1 . . . . 47 PHE CA . 15881 1 563 . 1 1 47 47 PHE CB C 13 42.819 0.2 . 1 . . . . 47 PHE CB . 15881 1 564 . 1 1 47 47 PHE CE1 C 13 130.298 0.2 . 1 . . . . 47 PHE CE1 . 15881 1 565 . 1 1 47 47 PHE N N 15 130.567 0.2 . 1 . . . . 47 PHE N . 15881 1 566 . 1 1 48 48 ALA H H 1 7.380 0.02 . 1 . . . . 48 ALA H . 15881 1 567 . 1 1 48 48 ALA HA H 1 4.695 0.02 . 1 . . . . 48 ALA HA . 15881 1 568 . 1 1 48 48 ALA HB1 H 1 0.919 0.02 . 1 . . . . 48 ALA QB . 15881 1 569 . 1 1 48 48 ALA HB2 H 1 0.919 0.02 . 1 . . . . 48 ALA QB . 15881 1 570 . 1 1 48 48 ALA HB3 H 1 0.919 0.02 . 1 . . . . 48 ALA QB . 15881 1 571 . 1 1 48 48 ALA C C 13 172.673 0.2 . 1 . . . . 48 ALA C . 15881 1 572 . 1 1 48 48 ALA CA C 13 51.187 0.2 . 1 . . . . 48 ALA CA . 15881 1 573 . 1 1 48 48 ALA CB C 13 21.220 0.2 . 1 . . . . 48 ALA CB . 15881 1 574 . 1 1 48 48 ALA N N 15 129.271 0.2 . 1 . . . . 48 ALA N . 15881 1 575 . 1 1 49 49 GLU H H 1 6.864 0.02 . 1 . . . . 49 GLU H . 15881 1 576 . 1 1 49 49 GLU HA H 1 5.009 0.003 . 1 . . . . 49 GLU HA . 15881 1 577 . 1 1 49 49 GLU HB2 H 1 1.889 0.02 . 2 . . . . 49 GLU HB2 . 15881 1 578 . 1 1 49 49 GLU HB3 H 1 1.561 0.02 . 2 . . . . 49 GLU HB3 . 15881 1 579 . 1 1 49 49 GLU HG2 H 1 2.789 0.02 . 2 . . . . 49 GLU HG2 . 15881 1 580 . 1 1 49 49 GLU HG3 H 1 2.573 0.006 . 2 . . . . 49 GLU HG3 . 15881 1 581 . 1 1 49 49 GLU C C 13 176.702 0.2 . 1 . . . . 49 GLU C . 15881 1 582 . 1 1 49 49 GLU CA C 13 53.744 0.2 . 1 . . . . 49 GLU CA . 15881 1 583 . 1 1 49 49 GLU CB C 13 31.003 0.2 . 1 . . . . 49 GLU CB . 15881 1 584 . 1 1 49 49 GLU CG C 13 36.926 0.2 . 1 . . . . 49 GLU CG . 15881 1 585 . 1 1 49 49 GLU N N 15 118.058 0.2 . 1 . . . . 49 GLU N . 15881 1 586 . 1 1 50 50 TYR H H 1 9.620 0.02 . 1 . . . . 50 TYR H . 15881 1 587 . 1 1 50 50 TYR HA H 1 5.238 0.001 . 1 . . . . 50 TYR HA . 15881 1 588 . 1 1 50 50 TYR HB2 H 1 2.822 0.001 . 2 . . . . 50 TYR HB2 . 15881 1 589 . 1 1 50 50 TYR HB3 H 1 3.427 0.02 . 2 . . . . 50 TYR HB3 . 15881 1 590 . 1 1 50 50 TYR HD1 H 1 6.500 0.02 . 1 . . . . 50 TYR HD1 . 15881 1 591 . 1 1 50 50 TYR HD2 H 1 6.500 0.02 . 1 . . . . 50 TYR HD2 . 15881 1 592 . 1 1 50 50 TYR HE1 H 1 6.509 0.02 . 1 . . . . 50 TYR HE1 . 15881 1 593 . 1 1 50 50 TYR HE2 H 1 6.509 0.02 . 1 . . . . 50 TYR HE2 . 15881 1 594 . 1 1 50 50 TYR C C 13 176.292 0.2 . 1 . . . . 50 TYR C . 15881 1 595 . 1 1 50 50 TYR CA C 13 57.787 0.2 . 1 . . . . 50 TYR CA . 15881 1 596 . 1 1 50 50 TYR CB C 13 42.940 0.2 . 1 . . . . 50 TYR CB . 15881 1 597 . 1 1 50 50 TYR CE1 C 13 119.702 0.2 . 1 . . . . 50 TYR CE1 . 15881 1 598 . 1 1 50 50 TYR N N 15 126.839 0.2 . 1 . . . . 50 TYR N . 15881 1 599 . 1 1 51 51 THR H H 1 9.005 0.02 . 1 . . . . 51 THR H . 15881 1 600 . 1 1 51 51 THR HA H 1 4.337 0.02 . 1 . . . . 51 THR HA . 15881 1 601 . 1 1 51 51 THR HB H 1 4.476 0.02 . 1 . . . . 51 THR HB . 15881 1 602 . 1 1 51 51 THR HG21 H 1 1.296 0.02 . 1 . . . . 51 THR QG2 . 15881 1 603 . 1 1 51 51 THR HG22 H 1 1.296 0.02 . 1 . . . . 51 THR QG2 . 15881 1 604 . 1 1 51 51 THR HG23 H 1 1.296 0.02 . 1 . . . . 51 THR QG2 . 15881 1 605 . 1 1 51 51 THR C C 13 175.677 0.2 . 1 . . . . 51 THR C . 15881 1 606 . 1 1 51 51 THR CA C 13 63.611 0.014 . 1 . . . . 51 THR CA . 15881 1 607 . 1 1 51 51 THR CB C 13 69.803 0.2 . 1 . . . . 51 THR CB . 15881 1 608 . 1 1 51 51 THR CG2 C 13 23.027 0.2 . 1 . . . . 51 THR CG2 . 15881 1 609 . 1 1 51 51 THR N N 15 109.915 0.2 . 1 . . . . 51 THR N . 15881 1 610 . 1 1 52 52 THR H H 1 7.722 0.02 . 1 . . . . 52 THR H . 15881 1 611 . 1 1 52 52 THR HA H 1 4.278 0.02 . 1 . . . . 52 THR HA . 15881 1 612 . 1 1 52 52 THR HB H 1 4.286 0.02 . 1 . . . . 52 THR HB . 15881 1 613 . 1 1 52 52 THR HG21 H 1 1.223 0.02 . 1 . . . . 52 THR QG2 . 15881 1 614 . 1 1 52 52 THR HG22 H 1 1.223 0.02 . 1 . . . . 52 THR QG2 . 15881 1 615 . 1 1 52 52 THR HG23 H 1 1.223 0.02 . 1 . . . . 52 THR QG2 . 15881 1 616 . 1 1 52 52 THR C C 13 173.274 0.2 . 1 . . . . 52 THR C . 15881 1 617 . 1 1 52 52 THR CA C 13 58.830 0.2 . 1 . . . . 52 THR CA . 15881 1 618 . 1 1 52 52 THR CB C 13 75.266 0.2 . 1 . . . . 52 THR CB . 15881 1 619 . 1 1 52 52 THR CG2 C 13 20.529 0.2 . 1 . . . . 52 THR CG2 . 15881 1 620 . 1 1 52 52 THR N N 15 110.055 0.2 . 1 . . . . 52 THR N . 15881 1 621 . 1 1 53 53 ASN H H 1 7.803 0.02 . 1 . . . . 53 ASN H . 15881 1 622 . 1 1 53 53 ASN HA H 1 3.698 0.02 . 1 . . . . 53 ASN HA . 15881 1 623 . 1 1 53 53 ASN HB2 H 1 3.088 0.02 . 2 . . . . 53 ASN HB2 . 15881 1 624 . 1 1 53 53 ASN HB3 H 1 2.438 0.001 . 2 . . . . 53 ASN HB3 . 15881 1 625 . 1 1 53 53 ASN HD21 H 1 7.473 0.02 . 2 . . . . 53 ASN HD21 . 15881 1 626 . 1 1 53 53 ASN HD22 H 1 6.672 0.02 . 2 . . . . 53 ASN HD22 . 15881 1 627 . 1 1 53 53 ASN C C 13 175.393 0.2 . 1 . . . . 53 ASN C . 15881 1 628 . 1 1 53 53 ASN CA C 13 53.598 0.2 . 1 . . . . 53 ASN CA . 15881 1 629 . 1 1 53 53 ASN CB C 13 37.111 0.2 . 1 . . . . 53 ASN CB . 15881 1 630 . 1 1 53 53 ASN N N 15 116.031 0.2 . 1 . . . . 53 ASN N . 15881 1 631 . 1 1 53 53 ASN ND2 N 15 110.609 0.007 . 1 . . . . 53 ASN ND2 . 15881 1 632 . 1 1 54 54 GLN H H 1 7.255 0.02 . 1 . . . . 54 GLN H . 15881 1 633 . 1 1 54 54 GLN HA H 1 4.270 0.02 . 1 . . . . 54 GLN HA . 15881 1 634 . 1 1 54 54 GLN HB2 H 1 2.154 0.002 . 2 . . . . 54 GLN HB2 . 15881 1 635 . 1 1 54 54 GLN HB3 H 1 1.617 0.02 . 2 . . . . 54 GLN HB3 . 15881 1 636 . 1 1 54 54 GLN HE21 H 1 7.299 0.02 . 2 . . . . 54 GLN HE21 . 15881 1 637 . 1 1 54 54 GLN HE22 H 1 6.774 0.02 . 2 . . . . 54 GLN HE22 . 15881 1 638 . 1 1 54 54 GLN HG2 H 1 2.279 0.02 . 2 . . . . 54 GLN HG2 . 15881 1 639 . 1 1 54 54 GLN HG3 H 1 2.279 0.02 . 2 . . . . 54 GLN HG3 . 15881 1 640 . 1 1 54 54 GLN C C 13 177.394 0.2 . 1 . . . . 54 GLN C . 15881 1 641 . 1 1 54 54 GLN CA C 13 54.904 0.2 . 1 . . . . 54 GLN CA . 15881 1 642 . 1 1 54 54 GLN CB C 13 30.499 0.035 . 1 . . . . 54 GLN CB . 15881 1 643 . 1 1 54 54 GLN CG C 13 33.942 0.2 . 1 . . . . 54 GLN CG . 15881 1 644 . 1 1 54 54 GLN N N 15 116.046 0.2 . 1 . . . . 54 GLN N . 15881 1 645 . 1 1 54 54 GLN NE2 N 15 114.049 0.005 . 1 . . . . 54 GLN NE2 . 15881 1 646 . 1 1 55 55 CYS H H 1 8.254 0.02 . 1 . . . . 55 CYS H . 15881 1 647 . 1 1 55 55 CYS HA H 1 3.603 0.02 . 1 . . . . 55 CYS HA . 15881 1 648 . 1 1 55 55 CYS HB2 H 1 2.628 0.003 . 2 . . . . 55 CYS HB2 . 15881 1 649 . 1 1 55 55 CYS HB3 H 1 0.901 0.002 . 2 . . . . 55 CYS HB3 . 15881 1 650 . 1 1 55 55 CYS C C 13 172.700 0.2 . 1 . . . . 55 CYS C . 15881 1 651 . 1 1 55 55 CYS CA C 13 60.691 0.2 . 1 . . . . 55 CYS CA . 15881 1 652 . 1 1 55 55 CYS CB C 13 31.019 0.021 . 1 . . . . 55 CYS CB . 15881 1 653 . 1 1 55 55 CYS N N 15 114.641 0.2 . 1 . . . . 55 CYS N . 15881 1 654 . 1 1 56 56 THR H H 1 7.269 0.02 . 1 . . . . 56 THR H . 15881 1 655 . 1 1 56 56 THR HA H 1 4.278 0.02 . 1 . . . . 56 THR HA . 15881 1 656 . 1 1 56 56 THR HB H 1 4.174 0.02 . 1 . . . . 56 THR HB . 15881 1 657 . 1 1 56 56 THR HG21 H 1 1.057 0.02 . 1 . . . . 56 THR QG2 . 15881 1 658 . 1 1 56 56 THR HG22 H 1 1.057 0.02 . 1 . . . . 56 THR QG2 . 15881 1 659 . 1 1 56 56 THR HG23 H 1 1.057 0.02 . 1 . . . . 56 THR QG2 . 15881 1 660 . 1 1 56 56 THR C C 13 177.086 0.2 . 1 . . . . 56 THR C . 15881 1 661 . 1 1 56 56 THR CA C 13 61.545 0.2 . 1 . . . . 56 THR CA . 15881 1 662 . 1 1 56 56 THR CB C 13 69.086 0.2 . 1 . . . . 56 THR CB . 15881 1 663 . 1 1 56 56 THR CG2 C 13 23.160 0.2 . 1 . . . . 56 THR CG2 . 15881 1 664 . 1 1 56 56 THR N N 15 105.353 0.2 . 1 . . . . 56 THR N . 15881 1 665 . 1 1 57 57 VAL H H 1 8.484 0.02 . 1 . . . . 57 VAL H . 15881 1 666 . 1 1 57 57 VAL HA H 1 4.344 0.02 . 1 . . . . 57 VAL HA . 15881 1 667 . 1 1 57 57 VAL HB H 1 2.097 0.02 . 1 . . . . 57 VAL HB . 15881 1 668 . 1 1 57 57 VAL HG11 H 1 1.068 0.02 . 2 . . . . 57 VAL QG1 . 15881 1 669 . 1 1 57 57 VAL HG12 H 1 1.068 0.02 . 2 . . . . 57 VAL QG1 . 15881 1 670 . 1 1 57 57 VAL HG13 H 1 1.068 0.02 . 2 . . . . 57 VAL QG1 . 15881 1 671 . 1 1 57 57 VAL HG21 H 1 0.943 0.02 . 2 . . . . 57 VAL QG2 . 15881 1 672 . 1 1 57 57 VAL HG22 H 1 0.943 0.02 . 2 . . . . 57 VAL QG2 . 15881 1 673 . 1 1 57 57 VAL HG23 H 1 0.943 0.02 . 2 . . . . 57 VAL QG2 . 15881 1 674 . 1 1 57 57 VAL C C 13 175.395 0.2 . 1 . . . . 57 VAL C . 15881 1 675 . 1 1 57 57 VAL CA C 13 61.886 0.2 . 1 . . . . 57 VAL CA . 15881 1 676 . 1 1 57 57 VAL CB C 13 34.740 0.2 . 1 . . . . 57 VAL CB . 15881 1 677 . 1 1 57 57 VAL CG1 C 13 20.704 0.2 . 1 . . . . 57 VAL CG1 . 15881 1 678 . 1 1 57 57 VAL CG2 C 13 20.996 0.2 . 1 . . . . 57 VAL CG2 . 15881 1 679 . 1 1 57 57 VAL N N 15 125.228 0.2 . 1 . . . . 57 VAL N . 15881 1 680 . 1 1 58 58 GLN H H 1 8.816 0.02 . 1 . . . . 58 GLN H . 15881 1 681 . 1 1 58 58 GLN HA H 1 4.159 0.02 . 1 . . . . 58 GLN HA . 15881 1 682 . 1 1 58 58 GLN HB2 H 1 2.432 0.02 . 2 . . . . 58 GLN HB2 . 15881 1 683 . 1 1 58 58 GLN HB3 H 1 1.770 0.02 . 2 . . . . 58 GLN HB3 . 15881 1 684 . 1 1 58 58 GLN HE21 H 1 7.023 0.02 . 2 . . . . 58 GLN HE21 . 15881 1 685 . 1 1 58 58 GLN HE22 H 1 6.725 0.02 . 2 . . . . 58 GLN HE22 . 15881 1 686 . 1 1 58 58 GLN HG2 H 1 2.274 0.02 . 2 . . . . 58 GLN HG2 . 15881 1 687 . 1 1 58 58 GLN HG3 H 1 1.298 0.02 . 2 . . . . 58 GLN HG3 . 15881 1 688 . 1 1 58 58 GLN C C 13 177.041 0.2 . 1 . . . . 58 GLN C . 15881 1 689 . 1 1 58 58 GLN CA C 13 57.447 0.2 . 1 . . . . 58 GLN CA . 15881 1 690 . 1 1 58 58 GLN CB C 13 29.450 0.050 . 1 . . . . 58 GLN CB . 15881 1 691 . 1 1 58 58 GLN CG C 13 36.071 0.2 . 1 . . . . 58 GLN CG . 15881 1 692 . 1 1 58 58 GLN N N 15 127.943 0.2 . 1 . . . . 58 GLN N . 15881 1 693 . 1 1 58 58 GLN NE2 N 15 110.831 0.002 . 1 . . . . 58 GLN NE2 . 15881 1 694 . 1 1 59 59 VAL H H 1 7.215 0.02 . 1 . . . . 59 VAL H . 15881 1 695 . 1 1 59 59 VAL HA H 1 4.016 0.001 . 1 . . . . 59 VAL HA . 15881 1 696 . 1 1 59 59 VAL HB H 1 2.242 0.02 . 1 . . . . 59 VAL HB . 15881 1 697 . 1 1 59 59 VAL HG11 H 1 0.902 0.004 . 2 . . . . 59 VAL QG1 . 15881 1 698 . 1 1 59 59 VAL HG12 H 1 0.902 0.004 . 2 . . . . 59 VAL QG1 . 15881 1 699 . 1 1 59 59 VAL HG13 H 1 0.902 0.004 . 2 . . . . 59 VAL QG1 . 15881 1 700 . 1 1 59 59 VAL HG21 H 1 0.886 0.02 . 2 . . . . 59 VAL QG2 . 15881 1 701 . 1 1 59 59 VAL HG22 H 1 0.886 0.02 . 2 . . . . 59 VAL QG2 . 15881 1 702 . 1 1 59 59 VAL HG23 H 1 0.886 0.02 . 2 . . . . 59 VAL QG2 . 15881 1 703 . 1 1 59 59 VAL C C 13 173.565 0.2 . 1 . . . . 59 VAL C . 15881 1 704 . 1 1 59 59 VAL CA C 13 62.080 0.2 . 1 . . . . 59 VAL CA . 15881 1 705 . 1 1 59 59 VAL CB C 13 32.179 0.2 . 1 . . . . 59 VAL CB . 15881 1 706 . 1 1 59 59 VAL CG1 C 13 18.380 0.2 . 1 . . . . 59 VAL CG1 . 15881 1 707 . 1 1 59 59 VAL CG2 C 13 22.785 0.029 . 1 . . . . 59 VAL CG2 . 15881 1 708 . 1 1 59 59 VAL N N 15 113.768 0.2 . 1 . . . . 59 VAL N . 15881 1 709 . 1 1 60 60 THR H H 1 7.916 0.02 . 1 . . . . 60 THR H . 15881 1 710 . 1 1 60 60 THR HA H 1 4.438 0.02 . 1 . . . . 60 THR HA . 15881 1 711 . 1 1 60 60 THR HB H 1 3.898 0.02 . 1 . . . . 60 THR HB . 15881 1 712 . 1 1 60 60 THR HG21 H 1 1.193 0.02 . 1 . . . . 60 THR QG2 . 15881 1 713 . 1 1 60 60 THR HG22 H 1 1.193 0.02 . 1 . . . . 60 THR QG2 . 15881 1 714 . 1 1 60 60 THR HG23 H 1 1.193 0.02 . 1 . . . . 60 THR QG2 . 15881 1 715 . 1 1 60 60 THR CA C 13 59.116 0.013 . 1 . . . . 60 THR CA . 15881 1 716 . 1 1 60 60 THR CB C 13 71.634 0.2 . 1 . . . . 60 THR CB . 15881 1 717 . 1 1 60 60 THR CG2 C 13 20.594 0.2 . 1 . . . . 60 THR CG2 . 15881 1 718 . 1 1 60 60 THR N N 15 114.859 0.2 . 1 . . . . 60 THR N . 15881 1 719 . 1 1 61 61 PRO HA H 1 4.689 0.02 . 1 . . . . 61 PRO HA . 15881 1 720 . 1 1 61 61 PRO HB2 H 1 2.476 0.02 . 2 . . . . 61 PRO HB2 . 15881 1 721 . 1 1 61 61 PRO HB3 H 1 2.078 0.02 . 2 . . . . 61 PRO HB3 . 15881 1 722 . 1 1 61 61 PRO HD2 H 1 3.650 0.001 . 2 . . . . 61 PRO HD2 . 15881 1 723 . 1 1 61 61 PRO HD3 H 1 3.566 0.02 . 2 . . . . 61 PRO HD3 . 15881 1 724 . 1 1 61 61 PRO HG2 H 1 1.956 0.02 . 2 . . . . 61 PRO HG2 . 15881 1 725 . 1 1 61 61 PRO HG3 H 1 1.956 0.02 . 2 . . . . 61 PRO HG3 . 15881 1 726 . 1 1 61 61 PRO C C 13 175.265 0.2 . 1 . . . . 61 PRO C . 15881 1 727 . 1 1 61 61 PRO CA C 13 62.938 0.013 . 1 . . . . 61 PRO CA . 15881 1 728 . 1 1 61 61 PRO CB C 13 34.183 0.2 . 1 . . . . 61 PRO CB . 15881 1 729 . 1 1 61 61 PRO CD C 13 50.154 0.2 . 1 . . . . 61 PRO CD . 15881 1 730 . 1 1 61 61 PRO CG C 13 25.566 0.2 . 1 . . . . 61 PRO CG . 15881 1 731 . 1 1 61 61 PRO N N 15 141.36 0.2 . 1 . . . . 61 PRO N . 15881 1 732 . 1 1 62 62 ALA H H 1 8.339 0.02 . 1 . . . . 62 ALA H . 15881 1 733 . 1 1 62 62 ALA HA H 1 4.272 0.003 . 1 . . . . 62 ALA HA . 15881 1 734 . 1 1 62 62 ALA HB1 H 1 1.365 0.004 . 1 . . . . 62 ALA QB . 15881 1 735 . 1 1 62 62 ALA HB2 H 1 1.365 0.004 . 1 . . . . 62 ALA QB . 15881 1 736 . 1 1 62 62 ALA HB3 H 1 1.365 0.004 . 1 . . . . 62 ALA QB . 15881 1 737 . 1 1 62 62 ALA C C 13 178.386 0.2 . 1 . . . . 62 ALA C . 15881 1 738 . 1 1 62 62 ALA CA C 13 53.152 0.2 . 1 . . . . 62 ALA CA . 15881 1 739 . 1 1 62 62 ALA CB C 13 19.227 0.2 . 1 . . . . 62 ALA CB . 15881 1 740 . 1 1 62 62 ALA N N 15 124.445 0.2 . 1 . . . . 62 ALA N . 15881 1 741 . 1 1 63 63 VAL H H 1 9.028 0.02 . 1 . . . . 63 VAL H . 15881 1 742 . 1 1 63 63 VAL HA H 1 4.214 0.02 . 1 . . . . 63 VAL HA . 15881 1 743 . 1 1 63 63 VAL HB H 1 2.132 0.02 . 1 . . . . 63 VAL HB . 15881 1 744 . 1 1 63 63 VAL HG11 H 1 1.122 0.02 . 2 . . . . 63 VAL QG1 . 15881 1 745 . 1 1 63 63 VAL HG12 H 1 1.122 0.02 . 2 . . . . 63 VAL QG1 . 15881 1 746 . 1 1 63 63 VAL HG13 H 1 1.122 0.02 . 2 . . . . 63 VAL QG1 . 15881 1 747 . 1 1 63 63 VAL HG21 H 1 1.066 0.02 . 2 . . . . 63 VAL QG2 . 15881 1 748 . 1 1 63 63 VAL HG22 H 1 1.066 0.02 . 2 . . . . 63 VAL QG2 . 15881 1 749 . 1 1 63 63 VAL HG23 H 1 1.066 0.02 . 2 . . . . 63 VAL QG2 . 15881 1 750 . 1 1 63 63 VAL C C 13 173.024 0.2 . 1 . . . . 63 VAL C . 15881 1 751 . 1 1 63 63 VAL CA C 13 61.771 0.2 . 1 . . . . 63 VAL CA . 15881 1 752 . 1 1 63 63 VAL CB C 13 33.203 0.2 . 1 . . . . 63 VAL CB . 15881 1 753 . 1 1 63 63 VAL CG1 C 13 21.872 0.2 . 1 . . . . 63 VAL CG1 . 15881 1 754 . 1 1 63 63 VAL CG2 C 13 20.470 0.2 . 1 . . . . 63 VAL CG2 . 15881 1 755 . 1 1 63 63 VAL N N 15 126.714 0.2 . 1 . . . . 63 VAL N . 15881 1 756 . 1 1 64 64 THR H H 1 8.186 0.02 . 1 . . . . 64 THR H . 15881 1 757 . 1 1 64 64 THR HA H 1 5.557 0.02 . 1 . . . . 64 THR HA . 15881 1 758 . 1 1 64 64 THR HB H 1 4.085 0.02 . 1 . . . . 64 THR HB . 15881 1 759 . 1 1 64 64 THR HG21 H 1 1.138 0.02 . 1 . . . . 64 THR QG2 . 15881 1 760 . 1 1 64 64 THR HG22 H 1 1.138 0.02 . 1 . . . . 64 THR QG2 . 15881 1 761 . 1 1 64 64 THR HG23 H 1 1.138 0.02 . 1 . . . . 64 THR QG2 . 15881 1 762 . 1 1 64 64 THR CA C 13 58.209 0.2 . 1 . . . . 64 THR CA . 15881 1 763 . 1 1 64 64 THR CB C 13 70.573 0.2 . 1 . . . . 64 THR CB . 15881 1 764 . 1 1 64 64 THR CG2 C 13 19.010 0.2 . 1 . . . . 64 THR CG2 . 15881 1 765 . 1 1 64 64 THR N N 15 117.331 0.2 . 1 . . . . 64 THR N . 15881 1 766 . 1 1 65 65 ASN H H 1 8.781 0.02 . 1 . . . . 65 ASN H . 15881 1 767 . 1 1 65 65 ASN HA H 1 5.022 0.02 . 1 . . . . 65 ASN HA . 15881 1 768 . 1 1 65 65 ASN HB2 H 1 3.151 0.02 . 2 . . . . 65 ASN HB2 . 15881 1 769 . 1 1 65 65 ASN HB3 H 1 2.538 0.02 . 2 . . . . 65 ASN HB3 . 15881 1 770 . 1 1 65 65 ASN HD21 H 1 7.295 0.02 . 2 . . . . 65 ASN HD21 . 15881 1 771 . 1 1 65 65 ASN HD22 H 1 6.733 0.02 . 2 . . . . 65 ASN HD22 . 15881 1 772 . 1 1 65 65 ASN C C 13 173.139 0.576 . 1 . . . . 65 ASN C . 15881 1 773 . 1 1 65 65 ASN CA C 13 54.310 0.2 . 1 . . . . 65 ASN CA . 15881 1 774 . 1 1 65 65 ASN CB C 13 44.345 0.2 . 1 . . . . 65 ASN CB . 15881 1 775 . 1 1 65 65 ASN N N 15 124.797 0.2 . 1 . . . . 65 ASN N . 15881 1 776 . 1 1 65 65 ASN ND2 N 15 110.545 0.007 . 1 . . . . 65 ASN ND2 . 15881 1 777 . 1 1 66 66 THR H H 1 8.770 0.02 . 1 . . . . 66 THR H . 15881 1 778 . 1 1 66 66 THR HA H 1 5.601 0.02 . 1 . . . . 66 THR HA . 15881 1 779 . 1 1 66 66 THR HB H 1 3.925 0.02 . 1 . . . . 66 THR HB . 15881 1 780 . 1 1 66 66 THR HG21 H 1 1.108 0.001 . 1 . . . . 66 THR QG2 . 15881 1 781 . 1 1 66 66 THR HG22 H 1 1.108 0.001 . 1 . . . . 66 THR QG2 . 15881 1 782 . 1 1 66 66 THR HG23 H 1 1.108 0.001 . 1 . . . . 66 THR QG2 . 15881 1 783 . 1 1 66 66 THR C C 13 172.704 0.2 . 1 . . . . 66 THR C . 15881 1 784 . 1 1 66 66 THR CA C 13 61.989 0.2 . 1 . . . . 66 THR CA . 15881 1 785 . 1 1 66 66 THR CB C 13 70.541 0.2 . 1 . . . . 66 THR CB . 15881 1 786 . 1 1 66 66 THR CG2 C 13 21.285 0.109 . 1 . . . . 66 THR CG2 . 15881 1 787 . 1 1 66 66 THR N N 15 124.461 0.2 . 1 . . . . 66 THR N . 15881 1 788 . 1 1 67 67 PHE H H 1 9.000 0.02 . 1 . . . . 67 PHE H . 15881 1 789 . 1 1 67 67 PHE HA H 1 5.143 0.02 . 1 . . . . 67 PHE HA . 15881 1 790 . 1 1 67 67 PHE HB2 H 1 3.139 0.02 . 2 . . . . 67 PHE HB2 . 15881 1 791 . 1 1 67 67 PHE HB3 H 1 2.905 0.002 . 2 . . . . 67 PHE HB3 . 15881 1 792 . 1 1 67 67 PHE HD1 H 1 6.474 0.038 . 1 . . . . 67 PHE HD1 . 15881 1 793 . 1 1 67 67 PHE HD2 H 1 6.474 0.038 . 1 . . . . 67 PHE HD2 . 15881 1 794 . 1 1 67 67 PHE HE1 H 1 6.889 0.02 . 1 . . . . 67 PHE HE1 . 15881 1 795 . 1 1 67 67 PHE HE2 H 1 6.889 0.02 . 1 . . . . 67 PHE HE2 . 15881 1 796 . 1 1 67 67 PHE C C 13 172.025 0.2 . 1 . . . . 67 PHE C . 15881 1 797 . 1 1 67 67 PHE CA C 13 55.526 0.2 . 1 . . . . 67 PHE CA . 15881 1 798 . 1 1 67 67 PHE CB C 13 41.424 0.2 . 1 . . . . 67 PHE CB . 15881 1 799 . 1 1 67 67 PHE CD1 C 13 131.944 0.2 . 1 . . . . 67 PHE CD1 . 15881 1 800 . 1 1 67 67 PHE CE1 C 13 130.046 0.2 . 1 . . . . 67 PHE CE1 . 15881 1 801 . 1 1 67 67 PHE CZ C 13 128.083 0.2 . 1 . . . . 67 PHE CZ . 15881 1 802 . 1 1 67 67 PHE N N 15 125.484 0.2 . 1 . . . . 67 PHE N . 15881 1 803 . 1 1 68 68 THR H H 1 8.524 0.02 . 1 . . . . 68 THR H . 15881 1 804 . 1 1 68 68 THR HA H 1 4.884 0.02 . 1 . . . . 68 THR HA . 15881 1 805 . 1 1 68 68 THR HB H 1 3.934 0.02 . 1 . . . . 68 THR HB . 15881 1 806 . 1 1 68 68 THR HG21 H 1 1.118 0.001 . 1 . . . . 68 THR QG2 . 15881 1 807 . 1 1 68 68 THR HG22 H 1 1.118 0.001 . 1 . . . . 68 THR QG2 . 15881 1 808 . 1 1 68 68 THR HG23 H 1 1.118 0.001 . 1 . . . . 68 THR QG2 . 15881 1 809 . 1 1 68 68 THR C C 13 174.896 0.2 . 1 . . . . 68 THR C . 15881 1 810 . 1 1 68 68 THR CA C 13 60.699 0.024 . 1 . . . . 68 THR CA . 15881 1 811 . 1 1 68 68 THR CB C 13 70.629 0.2 . 1 . . . . 68 THR CB . 15881 1 812 . 1 1 68 68 THR CG2 C 13 21.593 0.2 . 1 . . . . 68 THR CG2 . 15881 1 813 . 1 1 68 68 THR N N 15 114.556 0.2 . 1 . . . . 68 THR N . 15881 1 814 . 1 1 69 69 CYS H H 1 8.914 0.02 . 1 . . . . 69 CYS H . 15881 1 815 . 1 1 69 69 CYS HA H 1 4.646 0.02 . 1 . . . . 69 CYS HA . 15881 1 816 . 1 1 69 69 CYS HB2 H 1 2.440 0.02 . 2 . . . . 69 CYS HB2 . 15881 1 817 . 1 1 69 69 CYS HB3 H 1 1.511 0.02 . 2 . . . . 69 CYS HB3 . 15881 1 818 . 1 1 69 69 CYS CA C 13 54.387 0.024 . 1 . . . . 69 CYS CA . 15881 1 819 . 1 1 69 69 CYS CB C 13 41.825 0.2 . 1 . . . . 69 CYS CB . 15881 1 820 . 1 1 69 69 CYS N N 15 125.454 0.2 . 1 . . . . 69 CYS N . 15881 1 821 . 1 1 70 70 ALA H H 1 9.109 0.02 . 1 . . . . 70 ALA H . 15881 1 822 . 1 1 70 70 ALA HA H 1 4.703 0.001 . 1 . . . . 70 ALA HA . 15881 1 823 . 1 1 70 70 ALA HB1 H 1 1.491 0.02 . 1 . . . . 70 ALA QB . 15881 1 824 . 1 1 70 70 ALA HB2 H 1 1.491 0.02 . 1 . . . . 70 ALA QB . 15881 1 825 . 1 1 70 70 ALA HB3 H 1 1.491 0.02 . 1 . . . . 70 ALA QB . 15881 1 826 . 1 1 70 70 ALA CA C 13 51.732 0.2 . 1 . . . . 70 ALA CA . 15881 1 827 . 1 1 70 70 ALA CB C 13 22.082 0.2 . 1 . . . . 70 ALA CB . 15881 1 828 . 1 1 70 70 ALA N N 15 125.263 0.2 . 1 . . . . 70 ALA N . 15881 1 829 . 1 1 71 71 ASP H H 1 8.116 0.02 . 1 . . . . 71 ASP H . 15881 1 830 . 1 1 71 71 ASP HA H 1 4.724 0.02 . 1 . . . . 71 ASP HA . 15881 1 831 . 1 1 71 71 ASP HB2 H 1 3.246 0.02 . 2 . . . . 71 ASP HB2 . 15881 1 832 . 1 1 71 71 ASP HB3 H 1 3.165 0.006 . 2 . . . . 71 ASP HB3 . 15881 1 833 . 1 1 71 71 ASP C C 13 175.607 0.2 . 1 . . . . 71 ASP C . 15881 1 834 . 1 1 71 71 ASP CA C 13 53.271 0.2 . 1 . . . . 71 ASP CA . 15881 1 835 . 1 1 71 71 ASP CB C 13 41.644 0.2 . 1 . . . . 71 ASP CB . 15881 1 836 . 1 1 71 71 ASP N N 15 116.387 0.2 . 1 . . . . 71 ASP N . 15881 1 837 . 1 1 72 72 GLN H H 1 8.711 0.02 . 1 . . . . 72 GLN H . 15881 1 838 . 1 1 72 72 GLN HA H 1 6.030 0.02 . 1 . . . . 72 GLN HA . 15881 1 839 . 1 1 72 72 GLN HB2 H 1 2.780 0.02 . 2 . . . . 72 GLN HB2 . 15881 1 840 . 1 1 72 72 GLN HB3 H 1 1.923 0.02 . 2 . . . . 72 GLN HB3 . 15881 1 841 . 1 1 72 72 GLN HE21 H 1 7.744 0.02 . 2 . . . . 72 GLN HE21 . 15881 1 842 . 1 1 72 72 GLN HE22 H 1 7.021 0.02 . 2 . . . . 72 GLN HE22 . 15881 1 843 . 1 1 72 72 GLN HG2 H 1 2.516 0.002 . 2 . . . . 72 GLN HG2 . 15881 1 844 . 1 1 72 72 GLN HG3 H 1 2.200 0.02 . 2 . . . . 72 GLN HG3 . 15881 1 845 . 1 1 72 72 GLN C C 13 175.773 0.2 . 1 . . . . 72 GLN C . 15881 1 846 . 1 1 72 72 GLN CA C 13 54.826 0.2 . 1 . . . . 72 GLN CA . 15881 1 847 . 1 1 72 72 GLN CB C 13 31.361 0.003 . 1 . . . . 72 GLN CB . 15881 1 848 . 1 1 72 72 GLN CG C 13 35.772 0.2 . 1 . . . . 72 GLN CG . 15881 1 849 . 1 1 72 72 GLN N N 15 115.163 0.2 . 1 . . . . 72 GLN N . 15881 1 850 . 1 1 72 72 GLN NE2 N 15 114.840 0.003 . 1 . . . . 72 GLN NE2 . 15881 1 851 . 1 1 73 73 THR H H 1 8.218 0.02 . 1 . . . . 73 THR H . 15881 1 852 . 1 1 73 73 THR HA H 1 4.506 0.02 . 1 . . . . 73 THR HA . 15881 1 853 . 1 1 73 73 THR HB H 1 4.102 0.02 . 1 . . . . 73 THR HB . 15881 1 854 . 1 1 73 73 THR HG21 H 1 1.110 0.02 . 1 . . . . 73 THR QG2 . 15881 1 855 . 1 1 73 73 THR HG22 H 1 1.110 0.02 . 1 . . . . 73 THR QG2 . 15881 1 856 . 1 1 73 73 THR HG23 H 1 1.110 0.02 . 1 . . . . 73 THR QG2 . 15881 1 857 . 1 1 73 73 THR C C 13 175.446 0.2 . 1 . . . . 73 THR C . 15881 1 858 . 1 1 73 73 THR CA C 13 62.027 0.2 . 1 . . . . 73 THR CA . 15881 1 859 . 1 1 73 73 THR CB C 13 70.553 0.2 . 1 . . . . 73 THR CB . 15881 1 860 . 1 1 73 73 THR CG2 C 13 21.522 0.2 . 1 . . . . 73 THR CG2 . 15881 1 861 . 1 1 73 73 THR N N 15 107.918 0.2 . 1 . . . . 73 THR N . 15881 1 862 . 1 1 74 74 SER H H 1 9.838 0.02 . 1 . . . . 74 SER H . 15881 1 863 . 1 1 74 74 SER HA H 1 4.317 0.003 . 1 . . . . 74 SER HA . 15881 1 864 . 1 1 74 74 SER HB2 H 1 3.901 0.02 . 2 . . . . 74 SER HB2 . 15881 1 865 . 1 1 74 74 SER HB3 H 1 3.572 0.002 . 2 . . . . 74 SER HB3 . 15881 1 866 . 1 1 74 74 SER C C 13 173.178 0.2 . 1 . . . . 74 SER C . 15881 1 867 . 1 1 74 74 SER CA C 13 59.904 0.030 . 1 . . . . 74 SER CA . 15881 1 868 . 1 1 74 74 SER CB C 13 61.937 0.2 . 1 . . . . 74 SER CB . 15881 1 869 . 1 1 74 74 SER N N 15 123.377 0.2 . 1 . . . . 74 SER N . 15881 1 870 . 1 1 75 75 SER H H 1 8.619 0.02 . 1 . . . . 75 SER H . 15881 1 871 . 1 1 75 75 SER HA H 1 4.464 0.02 . 1 . . . . 75 SER HA . 15881 1 872 . 1 1 75 75 SER HB2 H 1 3.623 0.001 . 2 . . . . 75 SER HB2 . 15881 1 873 . 1 1 75 75 SER HB3 H 1 3.623 0.001 . 2 . . . . 75 SER HB3 . 15881 1 874 . 1 1 75 75 SER C C 13 174.293 0.2 . 1 . . . . 75 SER C . 15881 1 875 . 1 1 75 75 SER CA C 13 57.485 0.2 . 1 . . . . 75 SER CA . 15881 1 876 . 1 1 75 75 SER CB C 13 63.367 0.2 . 1 . . . . 75 SER CB . 15881 1 877 . 1 1 75 75 SER N N 15 118.796 0.2 . 1 . . . . 75 SER N . 15881 1 878 . 1 1 76 76 HIS H H 1 8.981 0.02 . 1 . . . . 76 HIS H . 15881 1 879 . 1 1 76 76 HIS HA H 1 4.419 0.02 . 1 . . . . 76 HIS HA . 15881 1 880 . 1 1 76 76 HIS HB2 H 1 2.394 0.02 . 2 . . . . 76 HIS HB2 . 15881 1 881 . 1 1 76 76 HIS HB3 H 1 2.442 0.002 . 2 . . . . 76 HIS HB3 . 15881 1 882 . 1 1 76 76 HIS HD2 H 1 7.279 0.02 . 1 . . . . 76 HIS HD2 . 15881 1 883 . 1 1 76 76 HIS HE1 H 1 8.277 0.02 . 1 . . . . 76 HIS HE1 . 15881 1 884 . 1 1 76 76 HIS C C 13 174.076 0.2 . 1 . . . . 76 HIS C . 15881 1 885 . 1 1 76 76 HIS CA C 13 54.343 0.2 . 1 . . . . 76 HIS CA . 15881 1 886 . 1 1 76 76 HIS CB C 13 29.002 0.2 . 1 . . . . 76 HIS CB . 15881 1 887 . 1 1 76 76 HIS CD2 C 13 120.439 0.2 . 1 . . . . 76 HIS CD2 . 15881 1 888 . 1 1 76 76 HIS CE1 C 13 137.498 0.2 . 1 . . . . 76 HIS CE1 . 15881 1 889 . 1 1 76 76 HIS N N 15 126.102 0.2 . 1 . . . . 76 HIS N . 15881 1 890 . 1 1 77 77 ALA H H 1 8.797 0.02 . 1 . . . . 77 ALA H . 15881 1 891 . 1 1 77 77 ALA HA H 1 4.307 0.02 . 1 . . . . 77 ALA HA . 15881 1 892 . 1 1 77 77 ALA HB1 H 1 1.399 0.02 . 1 . . . . 77 ALA QB . 15881 1 893 . 1 1 77 77 ALA HB2 H 1 1.399 0.02 . 1 . . . . 77 ALA QB . 15881 1 894 . 1 1 77 77 ALA HB3 H 1 1.399 0.02 . 1 . . . . 77 ALA QB . 15881 1 895 . 1 1 77 77 ALA C C 13 177.823 0.2 . 1 . . . . 77 ALA C . 15881 1 896 . 1 1 77 77 ALA CA C 13 52.524 0.2 . 1 . . . . 77 ALA CA . 15881 1 897 . 1 1 77 77 ALA CB C 13 17.706 0.2 . 1 . . . . 77 ALA CB . 15881 1 898 . 1 1 77 77 ALA N N 15 129.207 0.2 . 1 . . . . 77 ALA N . 15881 1 899 . 1 1 78 78 LEU H H 1 7.708 0.02 . 1 . . . . 78 LEU H . 15881 1 900 . 1 1 78 78 LEU HA H 1 4.060 0.02 . 1 . . . . 78 LEU HA . 15881 1 901 . 1 1 78 78 LEU HB2 H 1 0.831 0.001 . 2 . . . . 78 LEU HB2 . 15881 1 902 . 1 1 78 78 LEU HB3 H 1 0.807 0.001 . 2 . . . . 78 LEU HB3 . 15881 1 903 . 1 1 78 78 LEU HD11 H 1 -0.047 0.02 . 2 . . . . 78 LEU QD1 . 15881 1 904 . 1 1 78 78 LEU HD12 H 1 -0.047 0.02 . 2 . . . . 78 LEU QD1 . 15881 1 905 . 1 1 78 78 LEU HD13 H 1 -0.047 0.02 . 2 . . . . 78 LEU QD1 . 15881 1 906 . 1 1 78 78 LEU HD21 H 1 -0.334 0.02 . 2 . . . . 78 LEU QD2 . 15881 1 907 . 1 1 78 78 LEU HD22 H 1 -0.334 0.02 . 2 . . . . 78 LEU QD2 . 15881 1 908 . 1 1 78 78 LEU HD23 H 1 -0.334 0.02 . 2 . . . . 78 LEU QD2 . 15881 1 909 . 1 1 78 78 LEU HG H 1 1.243 0.02 . 1 . . . . 78 LEU HG . 15881 1 910 . 1 1 78 78 LEU C C 13 175.043 0.2 . 1 . . . . 78 LEU C . 15881 1 911 . 1 1 78 78 LEU CA C 13 55.067 0.2 . 1 . . . . 78 LEU CA . 15881 1 912 . 1 1 78 78 LEU CB C 13 41.582 0.2 . 1 . . . . 78 LEU CB . 15881 1 913 . 1 1 78 78 LEU CD1 C 13 23.528 0.2 . 1 . . . . 78 LEU CD1 . 15881 1 914 . 1 1 78 78 LEU CD2 C 13 24.376 0.2 . 1 . . . . 78 LEU CD2 . 15881 1 915 . 1 1 78 78 LEU CG C 13 25.116 0.2 . 1 . . . . 78 LEU CG . 15881 1 916 . 1 1 78 78 LEU N N 15 127.080 0.2 . 1 . . . . 78 LEU N . 15881 1 917 . 1 1 79 79 GLY H H 1 7.442 0.02 . 1 . . . . 79 GLY H . 15881 1 918 . 1 1 79 79 GLY HA2 H 1 3.653 0.001 . 2 . . . . 79 GLY HA2 . 15881 1 919 . 1 1 79 79 GLY HA3 H 1 4.511 0.001 . 2 . . . . 79 GLY HA3 . 15881 1 920 . 1 1 79 79 GLY CA C 13 43.548 0.043 . 1 . . . . 79 GLY CA . 15881 1 921 . 1 1 79 79 GLY N N 15 106.006 0.2 . 1 . . . . 79 GLY N . 15881 1 922 . 1 1 80 80 SER H H 1 8.808 0.02 . 1 . . . . 80 SER H . 15881 1 923 . 1 1 80 80 SER HA H 1 3.968 0.02 . 1 . . . . 80 SER HA . 15881 1 924 . 1 1 80 80 SER HB2 H 1 4.180 0.002 . 2 . . . . 80 SER HB2 . 15881 1 925 . 1 1 80 80 SER HB3 H 1 3.990 0.02 . 2 . . . . 80 SER HB3 . 15881 1 926 . 1 1 80 80 SER C C 13 175.362 0.2 . 1 . . . . 80 SER C . 15881 1 927 . 1 1 80 80 SER CA C 13 58.679 0.2 . 1 . . . . 80 SER CA . 15881 1 928 . 1 1 80 80 SER CB C 13 62.561 0.2 . 1 . . . . 80 SER CB . 15881 1 929 . 1 1 80 80 SER N N 15 116.237 0.2 . 1 . . . . 80 SER N . 15881 1 930 . 1 1 81 81 ASP H H 1 8.039 0.02 . 1 . . . . 81 ASP H . 15881 1 931 . 1 1 81 81 ASP HA H 1 4.659 0.02 . 1 . . . . 81 ASP HA . 15881 1 932 . 1 1 81 81 ASP HB2 H 1 2.211 0.02 . 2 . . . . 81 ASP HB2 . 15881 1 933 . 1 1 81 81 ASP HB3 H 1 3.008 0.02 . 2 . . . . 81 ASP HB3 . 15881 1 934 . 1 1 81 81 ASP C C 13 175.664 0.2 . 1 . . . . 81 ASP C . 15881 1 935 . 1 1 81 81 ASP CA C 13 55.252 0.2 . 1 . . . . 81 ASP CA . 15881 1 936 . 1 1 81 81 ASP CB C 13 41.895 0.2 . 1 . . . . 81 ASP CB . 15881 1 937 . 1 1 81 81 ASP N N 15 119.478 0.2 . 1 . . . . 81 ASP N . 15881 1 938 . 1 1 82 82 TRP H H 1 8.253 0.02 . 1 . . . . 82 TRP H . 15881 1 939 . 1 1 82 82 TRP HA H 1 5.375 0.02 . 1 . . . . 82 TRP HA . 15881 1 940 . 1 1 82 82 TRP HB2 H 1 3.192 0.02 . 2 . . . . 82 TRP HB2 . 15881 1 941 . 1 1 82 82 TRP HB3 H 1 2.545 0.02 . 2 . . . . 82 TRP HB3 . 15881 1 942 . 1 1 82 82 TRP HD1 H 1 7.236 0.02 . 1 . . . . 82 TRP HD1 . 15881 1 943 . 1 1 82 82 TRP HE1 H 1 10.331 0.02 . 1 . . . . 82 TRP HE1 . 15881 1 944 . 1 1 82 82 TRP HE3 H 1 7.288 0.02 . 1 . . . . 82 TRP HE3 . 15881 1 945 . 1 1 82 82 TRP HH2 H 1 7.113 0.02 . 1 . . . . 82 TRP HH2 . 15881 1 946 . 1 1 82 82 TRP HZ2 H 1 7.064 0.02 . 1 . . . . 82 TRP HZ2 . 15881 1 947 . 1 1 82 82 TRP HZ3 H 1 6.799 0.02 . 1 . . . . 82 TRP HZ3 . 15881 1 948 . 1 1 82 82 TRP C C 13 177.812 0.2 . 1 . . . . 82 TRP C . 15881 1 949 . 1 1 82 82 TRP CA C 13 56.757 0.2 . 1 . . . . 82 TRP CA . 15881 1 950 . 1 1 82 82 TRP CB C 13 33.220 0.2 . 1 . . . . 82 TRP CB . 15881 1 951 . 1 1 82 82 TRP CD1 C 13 127.964 0.2 . 1 . . . . 82 TRP CD1 . 15881 1 952 . 1 1 82 82 TRP CE3 C 13 119.755 0.2 . 1 . . . . 82 TRP CE3 . 15881 1 953 . 1 1 82 82 TRP CH2 C 13 124.382 0.2 . 1 . . . . 82 TRP CH2 . 15881 1 954 . 1 1 82 82 TRP CZ2 C 13 114.043 0.2 . 1 . . . . 82 TRP CZ2 . 15881 1 955 . 1 1 82 82 TRP CZ3 C 13 121.391 0.2 . 1 . . . . 82 TRP CZ3 . 15881 1 956 . 1 1 82 82 TRP N N 15 122.368 0.2 . 1 . . . . 82 TRP N . 15881 1 957 . 1 1 82 82 TRP NE1 N 15 128.886 0.2 . 1 . . . . 82 TRP NE1 . 15881 1 958 . 1 1 83 83 SER H H 1 9.259 0.02 . 1 . . . . 83 SER H . 15881 1 959 . 1 1 83 83 SER HA H 1 5.161 0.02 . 1 . . . . 83 SER HA . 15881 1 960 . 1 1 83 83 SER HB2 H 1 3.820 0.02 . 2 . . . . 83 SER HB2 . 15881 1 961 . 1 1 83 83 SER HB3 H 1 3.630 0.02 . 2 . . . . 83 SER HB3 . 15881 1 962 . 1 1 83 83 SER C C 13 172.710 0.2 . 1 . . . . 83 SER C . 15881 1 963 . 1 1 83 83 SER CA C 13 57.846 0.2 . 1 . . . . 83 SER CA . 15881 1 964 . 1 1 83 83 SER CB C 13 66.085 0.2 . 1 . . . . 83 SER CB . 15881 1 965 . 1 1 83 83 SER N N 15 117.832 0.2 . 1 . . . . 83 SER N . 15881 1 966 . 1 1 84 84 GLY H H 1 8.319 0.02 . 1 . . . . 84 GLY H . 15881 1 967 . 1 1 84 84 GLY HA2 H 1 3.554 0.02 . 2 . . . . 84 GLY HA2 . 15881 1 968 . 1 1 84 84 GLY HA3 H 1 5.413 0.02 . 2 . . . . 84 GLY HA3 . 15881 1 969 . 1 1 84 84 GLY C C 13 171.557 0.2 . 1 . . . . 84 GLY C . 15881 1 970 . 1 1 84 84 GLY CA C 13 44.597 0.2 . 1 . . . . 84 GLY CA . 15881 1 971 . 1 1 84 84 GLY N N 15 106.829 0.2 . 1 . . . . 84 GLY N . 15881 1 972 . 1 1 85 85 VAL H H 1 8.095 0.02 . 1 . . . . 85 VAL H . 15881 1 973 . 1 1 85 85 VAL HA H 1 4.507 0.001 . 1 . . . . 85 VAL HA . 15881 1 974 . 1 1 85 85 VAL HB H 1 1.730 0.02 . 1 . . . . 85 VAL HB . 15881 1 975 . 1 1 85 85 VAL HG11 H 1 0.790 0.02 . 2 . . . . 85 VAL QG1 . 15881 1 976 . 1 1 85 85 VAL HG12 H 1 0.790 0.02 . 2 . . . . 85 VAL QG1 . 15881 1 977 . 1 1 85 85 VAL HG13 H 1 0.790 0.02 . 2 . . . . 85 VAL QG1 . 15881 1 978 . 1 1 85 85 VAL HG21 H 1 0.834 0.02 . 2 . . . . 85 VAL QG2 . 15881 1 979 . 1 1 85 85 VAL HG22 H 1 0.834 0.02 . 2 . . . . 85 VAL QG2 . 15881 1 980 . 1 1 85 85 VAL HG23 H 1 0.834 0.02 . 2 . . . . 85 VAL QG2 . 15881 1 981 . 1 1 85 85 VAL C C 13 176.548 0.2 . 1 . . . . 85 VAL C . 15881 1 982 . 1 1 85 85 VAL CA C 13 60.982 0.2 . 1 . . . . 85 VAL CA . 15881 1 983 . 1 1 85 85 VAL CB C 13 35.436 0.2 . 1 . . . . 85 VAL CB . 15881 1 984 . 1 1 85 85 VAL CG1 C 13 21.166 0.2 . 1 . . . . 85 VAL CG1 . 15881 1 985 . 1 1 85 85 VAL CG2 C 13 20.341 0.2 . 1 . . . . 85 VAL CG2 . 15881 1 986 . 1 1 85 85 VAL N N 15 123.297 0.2 . 1 . . . . 85 VAL N . 15881 1 987 . 1 1 86 86 CYS H H 1 9.147 0.02 . 1 . . . . 86 CYS H . 15881 1 988 . 1 1 86 86 CYS HA H 1 4.240 0.02 . 1 . . . . 86 CYS HA . 15881 1 989 . 1 1 86 86 CYS HB2 H 1 4.261 0.003 . 2 . . . . 86 CYS HB2 . 15881 1 990 . 1 1 86 86 CYS HB3 H 1 2.545 0.02 . 2 . . . . 86 CYS HB3 . 15881 1 991 . 1 1 86 86 CYS C C 13 172.934 0.2 . 1 . . . . 86 CYS C . 15881 1 992 . 1 1 86 86 CYS CA C 13 58.679 0.2 . 1 . . . . 86 CYS CA . 15881 1 993 . 1 1 86 86 CYS CB C 13 47.496 0.2 . 1 . . . . 86 CYS CB . 15881 1 994 . 1 1 86 86 CYS N N 15 126.137 0.2 . 1 . . . . 86 CYS N . 15881 1 995 . 1 1 87 87 LYS H H 1 7.853 0.02 . 1 . . . . 87 LYS H . 15881 1 996 . 1 1 87 87 LYS HA H 1 4.886 0.02 . 1 . . . . 87 LYS HA . 15881 1 997 . 1 1 87 87 LYS HB2 H 1 0.679 0.02 . 2 . . . . 87 LYS HB2 . 15881 1 998 . 1 1 87 87 LYS HB3 H 1 -0.407 0.02 . 2 . . . . 87 LYS HB3 . 15881 1 999 . 1 1 87 87 LYS HD2 H 1 2.094 0.02 . 2 . . . . 87 LYS HD2 . 15881 1 1000 . 1 1 87 87 LYS HD3 H 1 1.479 0.02 . 2 . . . . 87 LYS HD3 . 15881 1 1001 . 1 1 87 87 LYS HE2 H 1 2.946 0.02 . 2 . . . . 87 LYS HE2 . 15881 1 1002 . 1 1 87 87 LYS HE3 H 1 2.727 0.002 . 2 . . . . 87 LYS HE3 . 15881 1 1003 . 1 1 87 87 LYS HG2 H 1 1.050 0.001 . 2 . . . . 87 LYS HG2 . 15881 1 1004 . 1 1 87 87 LYS HG3 H 1 0.898 0.02 . 2 . . . . 87 LYS HG3 . 15881 1 1005 . 1 1 87 87 LYS C C 13 175.542 0.2 . 1 . . . . 87 LYS C . 15881 1 1006 . 1 1 87 87 LYS CA C 13 53.235 0.2 . 1 . . . . 87 LYS CA . 15881 1 1007 . 1 1 87 87 LYS CB C 13 34.990 0.2 . 1 . . . . 87 LYS CB . 15881 1 1008 . 1 1 87 87 LYS CD C 13 28.548 0.2 . 1 . . . . 87 LYS CD . 15881 1 1009 . 1 1 87 87 LYS CE C 13 43.056 0.2 . 1 . . . . 87 LYS CE . 15881 1 1010 . 1 1 87 87 LYS CG C 13 23.527 0.2 . 1 . . . . 87 LYS CG . 15881 1 1011 . 1 1 87 87 LYS N N 15 116.297 0.2 . 1 . . . . 87 LYS N . 15881 1 1012 . 1 1 88 88 ILE H H 1 7.588 0.02 . 1 . . . . 88 ILE H . 15881 1 1013 . 1 1 88 88 ILE HA H 1 4.187 0.02 . 1 . . . . 88 ILE HA . 15881 1 1014 . 1 1 88 88 ILE HB H 1 1.386 0.02 . 1 . . . . 88 ILE HB . 15881 1 1015 . 1 1 88 88 ILE HD11 H 1 0.408 0.02 . 1 . . . . 88 ILE QD1 . 15881 1 1016 . 1 1 88 88 ILE HD12 H 1 0.408 0.02 . 1 . . . . 88 ILE QD1 . 15881 1 1017 . 1 1 88 88 ILE HD13 H 1 0.408 0.02 . 1 . . . . 88 ILE QD1 . 15881 1 1018 . 1 1 88 88 ILE HG12 H 1 1.074 0.02 . 2 . . . . 88 ILE HG12 . 15881 1 1019 . 1 1 88 88 ILE HG13 H 1 0.202 0.001 . 2 . . . . 88 ILE HG13 . 15881 1 1020 . 1 1 88 88 ILE HG21 H 1 0.784 0.02 . 1 . . . . 88 ILE QG2 . 15881 1 1021 . 1 1 88 88 ILE HG22 H 1 0.784 0.02 . 1 . . . . 88 ILE QG2 . 15881 1 1022 . 1 1 88 88 ILE HG23 H 1 0.784 0.02 . 1 . . . . 88 ILE QG2 . 15881 1 1023 . 1 1 88 88 ILE C C 13 176.758 0.2 . 1 . . . . 88 ILE C . 15881 1 1024 . 1 1 88 88 ILE CA C 13 59.684 0.2 . 1 . . . . 88 ILE CA . 15881 1 1025 . 1 1 88 88 ILE CB C 13 41.323 0.013 . 1 . . . . 88 ILE CB . 15881 1 1026 . 1 1 88 88 ILE CD1 C 13 13.313 0.2 . 1 . . . . 88 ILE CD1 . 15881 1 1027 . 1 1 88 88 ILE CG1 C 13 29.118 0.2 . 1 . . . . 88 ILE CG1 . 15881 1 1028 . 1 1 88 88 ILE CG2 C 13 17.023 0.2 . 1 . . . . 88 ILE CG2 . 15881 1 1029 . 1 1 88 88 ILE N N 15 121.882 0.2 . 1 . . . . 88 ILE N . 15881 1 1030 . 1 1 89 89 THR H H 1 10.288 0.02 . 1 . . . . 89 THR H . 15881 1 1031 . 1 1 89 89 THR HA H 1 4.192 0.02 . 1 . . . . 89 THR HA . 15881 1 1032 . 1 1 89 89 THR HB H 1 4.113 0.005 . 1 . . . . 89 THR HB . 15881 1 1033 . 1 1 89 89 THR HG21 H 1 1.257 0.02 . 1 . . . . 89 THR QG2 . 15881 1 1034 . 1 1 89 89 THR HG22 H 1 1.257 0.02 . 1 . . . . 89 THR QG2 . 15881 1 1035 . 1 1 89 89 THR HG23 H 1 1.257 0.02 . 1 . . . . 89 THR QG2 . 15881 1 1036 . 1 1 89 89 THR C C 13 174.185 0.2 . 1 . . . . 89 THR C . 15881 1 1037 . 1 1 89 89 THR CA C 13 65.170 0.036 . 1 . . . . 89 THR CA . 15881 1 1038 . 1 1 89 89 THR CB C 13 68.236 0.018 . 1 . . . . 89 THR CB . 15881 1 1039 . 1 1 89 89 THR CG2 C 13 21.824 0.2 . 1 . . . . 89 THR CG2 . 15881 1 1040 . 1 1 89 89 THR N N 15 130.211 0.2 . 1 . . . . 89 THR N . 15881 1 1041 . 1 1 90 90 ALA H H 1 8.650 0.02 . 1 . . . . 90 ALA H . 15881 1 1042 . 1 1 90 90 ALA HA H 1 4.535 0.02 . 1 . . . . 90 ALA HA . 15881 1 1043 . 1 1 90 90 ALA HB1 H 1 1.443 0.02 . 1 . . . . 90 ALA QB . 15881 1 1044 . 1 1 90 90 ALA HB2 H 1 1.443 0.02 . 1 . . . . 90 ALA QB . 15881 1 1045 . 1 1 90 90 ALA HB3 H 1 1.443 0.02 . 1 . . . . 90 ALA QB . 15881 1 1046 . 1 1 90 90 ALA C C 13 175.949 0.2 . 1 . . . . 90 ALA C . 15881 1 1047 . 1 1 90 90 ALA CA C 13 52.089 0.2 . 1 . . . . 90 ALA CA . 15881 1 1048 . 1 1 90 90 ALA CB C 13 19.308 0.2 . 1 . . . . 90 ALA CB . 15881 1 1049 . 1 1 90 90 ALA N N 15 131.842 0.2 . 1 . . . . 90 ALA N . 15881 1 1050 . 1 1 91 91 THR H H 1 8.398 0.02 . 1 . . . . 91 THR H . 15881 1 1051 . 1 1 91 91 THR HA H 1 4.696 0.02 . 1 . . . . 91 THR HA . 15881 1 1052 . 1 1 91 91 THR HB H 1 4.317 0.02 . 1 . . . . 91 THR HB . 15881 1 1053 . 1 1 91 91 THR HG21 H 1 1.373 0.02 . 1 . . . . 91 THR QG2 . 15881 1 1054 . 1 1 91 91 THR HG22 H 1 1.373 0.02 . 1 . . . . 91 THR QG2 . 15881 1 1055 . 1 1 91 91 THR HG23 H 1 1.373 0.02 . 1 . . . . 91 THR QG2 . 15881 1 1056 . 1 1 91 91 THR CA C 13 58.284 0.2 . 1 . . . . 91 THR CA . 15881 1 1057 . 1 1 91 91 THR CB C 13 77.6 0.2 . 1 . . . . 91 THR CB . 15881 1 1058 . 1 1 91 91 THR N N 15 114.506 0.2 . 1 . . . . 91 THR N . 15881 1 1059 . 1 1 92 92 PRO HA H 1 4.488 0.02 . 1 . . . . 92 PRO HA . 15881 1 1060 . 1 1 92 92 PRO HB2 H 1 2.298 0.008 . 2 . . . . 92 PRO HB2 . 15881 1 1061 . 1 1 92 92 PRO HB3 H 1 2.019 0.001 . 2 . . . . 92 PRO HB3 . 15881 1 1062 . 1 1 92 92 PRO HD2 H 1 3.688 0.02 . 2 . . . . 92 PRO HD2 . 15881 1 1063 . 1 1 92 92 PRO HD3 H 1 3.696 0.02 . 2 . . . . 92 PRO HD3 . 15881 1 1064 . 1 1 92 92 PRO HG2 H 1 2.029 0.02 . 2 . . . . 92 PRO HG2 . 15881 1 1065 . 1 1 92 92 PRO HG3 H 1 2.029 0.02 . 2 . . . . 92 PRO HG3 . 15881 1 1066 . 1 1 92 92 PRO C C 13 175.980 0.2 . 1 . . . . 92 PRO C . 15881 1 1067 . 1 1 92 92 PRO CA C 13 62.577 0.2 . 1 . . . . 92 PRO CA . 15881 1 1068 . 1 1 92 92 PRO CB C 13 32.247 0.102 . 1 . . . . 92 PRO CB . 15881 1 1069 . 1 1 92 92 PRO CD C 13 50.455 0.2 . 1 . . . . 92 PRO CD . 15881 1 1070 . 1 1 92 92 PRO CG C 13 27.078 0.106 . 1 . . . . 92 PRO CG . 15881 1 1071 . 1 1 92 92 PRO N N 15 137.53 0.2 . 1 . . . . 92 PRO N . 15881 1 1072 . 1 1 93 93 ALA H H 1 8.287 0.027 . 1 . . . . 93 ALA H . 15881 1 1073 . 1 1 93 93 ALA HA H 1 4.452 0.003 . 1 . . . . 93 ALA HA . 15881 1 1074 . 1 1 93 93 ALA HB1 H 1 1.411 0.02 . 1 . . . . 93 ALA QB . 15881 1 1075 . 1 1 93 93 ALA HB2 H 1 1.411 0.02 . 1 . . . . 93 ALA QB . 15881 1 1076 . 1 1 93 93 ALA HB3 H 1 1.411 0.02 . 1 . . . . 93 ALA QB . 15881 1 1077 . 1 1 93 93 ALA CA C 13 50.266 0.037 . 1 . . . . 93 ALA CA . 15881 1 1078 . 1 1 93 93 ALA CB C 13 17.609 0.2 . 1 . . . . 93 ALA CB . 15881 1 1079 . 1 1 93 93 ALA N N 15 125.369 0.216 . 1 . . . . 93 ALA N . 15881 1 1080 . 1 1 94 94 PRO HA H 1 4.701 0.02 . 1 . . . . 94 PRO HA . 15881 1 1081 . 1 1 94 94 PRO HB2 H 1 2.446 0.02 . 2 . . . . 94 PRO HB2 . 15881 1 1082 . 1 1 94 94 PRO HB3 H 1 2.066 0.02 . 2 . . . . 94 PRO HB3 . 15881 1 1083 . 1 1 94 94 PRO HD2 H 1 3.971 0.02 . 2 . . . . 94 PRO HD2 . 15881 1 1084 . 1 1 94 94 PRO HD3 H 1 3.776 0.02 . 2 . . . . 94 PRO HD3 . 15881 1 1085 . 1 1 94 94 PRO HG2 H 1 2.191 0.02 . 2 . . . . 94 PRO HG2 . 15881 1 1086 . 1 1 94 94 PRO HG3 H 1 2.181 0.02 . 2 . . . . 94 PRO HG3 . 15881 1 1087 . 1 1 94 94 PRO CA C 13 62.752 0.2 . 1 . . . . 94 PRO CA . 15881 1 1088 . 1 1 94 94 PRO CB C 13 32.232 0.2 . 1 . . . . 94 PRO CB . 15881 1 1089 . 1 1 94 94 PRO CD C 13 50.712 0.2 . 1 . . . . 94 PRO CD . 15881 1 1090 . 1 1 94 94 PRO CG C 13 27.262 0.2 . 1 . . . . 94 PRO CG . 15881 1 1091 . 1 1 94 94 PRO N N 15 136.87 0.2 . 1 . . . . 94 PRO N . 15881 1 1092 . 1 1 95 95 THR H H 1 8.507 0.02 . 1 . . . . 95 THR H . 15881 1 1093 . 1 1 95 95 THR HA H 1 4.411 0.02 . 1 . . . . 95 THR HA . 15881 1 1094 . 1 1 95 95 THR HB H 1 4.666 0.02 . 1 . . . . 95 THR HB . 15881 1 1095 . 1 1 95 95 THR HG21 H 1 1.33 0.02 . 1 . . . . 95 THR QG2 . 15881 1 1096 . 1 1 95 95 THR HG22 H 1 1.33 0.02 . 1 . . . . 95 THR QG2 . 15881 1 1097 . 1 1 95 95 THR HG23 H 1 1.33 0.02 . 1 . . . . 95 THR QG2 . 15881 1 1098 . 1 1 95 95 THR CA C 13 60.162 0.2 . 1 . . . . 95 THR CA . 15881 1 1099 . 1 1 95 95 THR CB C 13 78.222 0.2 . 1 . . . . 95 THR CB . 15881 1 1100 . 1 1 95 95 THR N N 15 115.053 0.2 . 1 . . . . 95 THR N . 15881 1 1101 . 1 1 96 96 VAL H H 1 8.183 0.02 . 1 . . . . 96 VAL H . 15881 1 1102 . 1 1 96 96 VAL HA H 1 4.561 0.02 . 1 . . . . 96 VAL HA . 15881 1 1103 . 1 1 96 96 VAL HB H 1 2.241 0.02 . 1 . . . . 96 VAL HB . 15881 1 1104 . 1 1 96 96 VAL HG11 H 1 1.116 0.02 . 2 . . . . 96 VAL QG1 . 15881 1 1105 . 1 1 96 96 VAL HG12 H 1 1.116 0.02 . 2 . . . . 96 VAL QG1 . 15881 1 1106 . 1 1 96 96 VAL HG13 H 1 1.116 0.02 . 2 . . . . 96 VAL QG1 . 15881 1 1107 . 1 1 96 96 VAL HG21 H 1 1.116 0.02 . 2 . . . . 96 VAL QG2 . 15881 1 1108 . 1 1 96 96 VAL HG22 H 1 1.116 0.02 . 2 . . . . 96 VAL QG2 . 15881 1 1109 . 1 1 96 96 VAL HG23 H 1 1.116 0.02 . 2 . . . . 96 VAL QG2 . 15881 1 1110 . 1 1 96 96 VAL CA C 13 61.562 0.070 . 1 . . . . 96 VAL CA . 15881 1 1111 . 1 1 96 96 VAL CB C 13 33.628 0.074 . 1 . . . . 96 VAL CB . 15881 1 1112 . 1 1 96 96 VAL CG1 C 13 21.382 0.2 . 1 . . . . 96 VAL CG1 . 15881 1 1113 . 1 1 96 96 VAL CG2 C 13 20.752 0.2 . 1 . . . . 96 VAL CG2 . 15881 1 1114 . 1 1 96 96 VAL N N 15 121.364 0.2 . 1 . . . . 96 VAL N . 15881 1 1115 . 1 1 97 97 THR H H 1 8.426 0.02 . 1 . . . . 97 THR H . 15881 1 1116 . 1 1 97 97 THR CA C 13 58.552 0.2 . 1 . . . . 97 THR CA . 15881 1 1117 . 1 1 97 97 THR CB C 13 76.542 0.2 . 1 . . . . 97 THR CB . 15881 1 1118 . 1 1 97 97 THR N N 15 117.597 0.2 . 1 . . . . 97 THR N . 15881 1 1119 . 1 1 98 98 PRO HA H 1 4.961 0.02 . 1 . . . . 98 PRO HA . 15881 1 1120 . 1 1 98 98 PRO HB2 H 1 2.641 0.02 . 2 . . . . 98 PRO HB2 . 15881 1 1121 . 1 1 98 98 PRO HB3 H 1 2.046 0.02 . 2 . . . . 98 PRO HB3 . 15881 1 1122 . 1 1 98 98 PRO HD2 H 1 3.776 0.02 . 2 . . . . 98 PRO HD2 . 15881 1 1123 . 1 1 98 98 PRO HD3 H 1 3.776 0.02 . 2 . . . . 98 PRO HD3 . 15881 1 1124 . 1 1 98 98 PRO HG2 H 1 2.311 0.02 . 2 . . . . 98 PRO HG2 . 15881 1 1125 . 1 1 98 98 PRO HG3 H 1 2.301 0.02 . 2 . . . . 98 PRO HG3 . 15881 1 1126 . 1 1 98 98 PRO CA C 13 62.122 0.2 . 1 . . . . 98 PRO CA . 15881 1 1127 . 1 1 98 98 PRO CB C 13 29.730 5.128 . 1 . . . . 98 PRO CB . 15881 1 1128 . 1 1 98 98 PRO CD C 13 50.502 0.2 . 1 . . . . 98 PRO CD . 15881 1 1129 . 1 1 98 98 PRO N N 15 134.82 0.2 . 1 . . . . 98 PRO N . 15881 1 1130 . 1 1 99 99 THR H H 1 8.666 0.02 . 1 . . . . 99 THR H . 15881 1 1131 . 1 1 99 99 THR HA H 1 4.546 0.02 . 1 . . . . 99 THR HA . 15881 1 1132 . 1 1 99 99 THR HB H 1 4.666 0.02 . 1 . . . . 99 THR HB . 15881 1 1133 . 1 1 99 99 THR CA C 13 60.302 0.2 . 1 . . . . 99 THR CA . 15881 1 1134 . 1 1 99 99 THR CB C 13 77.102 0.2 . 1 . . . . 99 THR CB . 15881 1 1135 . 1 1 99 99 THR N N 15 113.377 0.2 . 1 . . . . 99 THR N . 15881 1 1136 . 1 1 100 100 VAL H H 1 8.158 0.02 . 1 . . . . 100 VAL H . 15881 1 1137 . 1 1 100 100 VAL HA H 1 4.511 0.02 . 1 . . . . 100 VAL HA . 15881 1 1138 . 1 1 100 100 VAL HB H 1 2.201 0.02 . 1 . . . . 100 VAL HB . 15881 1 1139 . 1 1 100 100 VAL HG11 H 1 1.621 0.02 . 2 . . . . 100 VAL QG1 . 15881 1 1140 . 1 1 100 100 VAL HG12 H 1 1.621 0.02 . 2 . . . . 100 VAL QG1 . 15881 1 1141 . 1 1 100 100 VAL HG13 H 1 1.621 0.02 . 2 . . . . 100 VAL QG1 . 15881 1 1142 . 1 1 100 100 VAL HG21 H 1 1.086 0.02 . 2 . . . . 100 VAL QG2 . 15881 1 1143 . 1 1 100 100 VAL HG22 H 1 1.086 0.02 . 2 . . . . 100 VAL QG2 . 15881 1 1144 . 1 1 100 100 VAL HG23 H 1 1.086 0.02 . 2 . . . . 100 VAL QG2 . 15881 1 1145 . 1 1 100 100 VAL CA C 13 61.142 0.140 . 1 . . . . 100 VAL CA . 15881 1 1146 . 1 1 100 100 VAL CB C 13 33.772 0.140 . 1 . . . . 100 VAL CB . 15881 1 1147 . 1 1 100 100 VAL CG1 C 13 21.172 0.2 . 1 . . . . 100 VAL CG1 . 15881 1 1148 . 1 1 100 100 VAL CG2 C 13 20.472 0.2 . 1 . . . . 100 VAL CG2 . 15881 1 1149 . 1 1 100 100 VAL N N 15 119.860 0.2 . 1 . . . . 100 VAL N . 15881 1 1150 . 1 1 101 101 THR H H 1 8.456 0.02 . 1 . . . . 101 THR H . 15881 1 1151 . 1 1 101 101 THR CA C 13 58.482 0.2 . 1 . . . . 101 THR CA . 15881 1 1152 . 1 1 101 101 THR CB C 13 76.332 0.2 . 1 . . . . 101 THR CB . 15881 1 1153 . 1 1 101 101 THR N N 15 118.013 0.2 . 1 . . . . 101 THR N . 15881 1 1154 . 1 1 102 102 PRO HA H 1 4.756 0.02 . 1 . . . . 102 PRO HA . 15881 1 1155 . 1 1 102 102 PRO HB2 H 1 2.471 0.02 . 2 . . . . 102 PRO HB2 . 15881 1 1156 . 1 1 102 102 PRO HB3 H 1 2.141 0.02 . 2 . . . . 102 PRO HB3 . 15881 1 1157 . 1 1 102 102 PRO HD2 H 1 3.956 0.02 . 2 . . . . 102 PRO HD2 . 15881 1 1158 . 1 1 102 102 PRO HD3 H 1 3.826 0.02 . 2 . . . . 102 PRO HD3 . 15881 1 1159 . 1 1 102 102 PRO HG2 H 1 2.191 0.02 . 2 . . . . 102 PRO HG2 . 15881 1 1160 . 1 1 102 102 PRO HG3 H 1 2.191 0.02 . 2 . . . . 102 PRO HG3 . 15881 1 1161 . 1 1 102 102 PRO CB C 13 32.442 0.2 . 1 . . . . 102 PRO CB . 15881 1 1162 . 1 1 102 102 PRO CD C 13 50.852 0.2 . 1 . . . . 102 PRO CD . 15881 1 1163 . 1 1 102 102 PRO CG C 13 27.052 0.2 . 1 . . . . 102 PRO CG . 15881 1 1164 . 1 1 102 102 PRO N N 15 136.57 0.2 . 1 . . . . 102 PRO N . 15881 1 1165 . 1 1 103 103 THR H H 1 8.273 0.02 . 1 . . . . 103 THR H . 15881 1 1166 . 1 1 103 103 THR HA H 1 4.396 0.02 . 1 . . . . 103 THR HA . 15881 1 1167 . 1 1 103 103 THR HB H 1 4.551 0.02 . 1 . . . . 103 THR HB . 15881 1 1168 . 1 1 103 103 THR HG21 H 1 1.33 0.02 . 1 . . . . 103 THR QG2 . 15881 1 1169 . 1 1 103 103 THR HG22 H 1 1.33 0.02 . 1 . . . . 103 THR QG2 . 15881 1 1170 . 1 1 103 103 THR HG23 H 1 1.33 0.02 . 1 . . . . 103 THR QG2 . 15881 1 1171 . 1 1 103 103 THR CA C 13 60.372 0.2 . 1 . . . . 103 THR CA . 15881 1 1172 . 1 1 103 103 THR CB C 13 77.732 0.2 . 1 . . . . 103 THR CB . 15881 1 1173 . 1 1 103 103 THR N N 15 112.704 0.2 . 1 . . . . 103 THR N . 15881 1 1174 . 1 1 104 104 VAL H H 1 8.157 0.02 . 1 . . . . 104 VAL H . 15881 1 1175 . 1 1 104 104 VAL HA H 1 4.471 0.02 . 1 . . . . 104 VAL HA . 15881 1 1176 . 1 1 104 104 VAL HB H 1 2.186 0.02 . 1 . . . . 104 VAL HB . 15881 1 1177 . 1 1 104 104 VAL HG11 H 1 1.076 0.02 . 2 . . . . 104 VAL QG1 . 15881 1 1178 . 1 1 104 104 VAL HG12 H 1 1.076 0.02 . 2 . . . . 104 VAL QG1 . 15881 1 1179 . 1 1 104 104 VAL HG13 H 1 1.076 0.02 . 2 . . . . 104 VAL QG1 . 15881 1 1180 . 1 1 104 104 VAL HG21 H 1 1.076 0.02 . 2 . . . . 104 VAL QG2 . 15881 1 1181 . 1 1 104 104 VAL HG22 H 1 1.076 0.02 . 2 . . . . 104 VAL QG2 . 15881 1 1182 . 1 1 104 104 VAL HG23 H 1 1.076 0.02 . 2 . . . . 104 VAL QG2 . 15881 1 1183 . 1 1 104 104 VAL CA C 13 61.821 0.119 . 1 . . . . 104 VAL CA . 15881 1 1184 . 1 1 104 104 VAL CB C 13 33.772 0.070 . 1 . . . . 104 VAL CB . 15881 1 1185 . 1 1 104 104 VAL CG1 C 13 21.172 0.2 . 1 . . . . 104 VAL CG1 . 15881 1 1186 . 1 1 104 104 VAL CG2 C 13 20.822 0.2 . 1 . . . . 104 VAL CG2 . 15881 1 1187 . 1 1 104 104 VAL N N 15 121.058 0.2 . 1 . . . . 104 VAL N . 15881 1 1188 . 1 1 105 105 THR H H 1 8.203 0.02 . 1 . . . . 105 THR H . 15881 1 1189 . 1 1 105 105 THR CA C 13 57.572 0.2 . 1 . . . . 105 THR CA . 15881 1 1190 . 1 1 105 105 THR CB C 13 77.662 0.2 . 1 . . . . 105 THR CB . 15881 1 1191 . 1 1 105 105 THR N N 15 114.897 0.2 . 1 . . . . 105 THR N . 15881 1 1192 . 1 1 106 106 PRO HA H 1 4.766 0.02 . 1 . . . . 106 PRO HA . 15881 1 1193 . 1 1 106 106 PRO HB2 H 1 2.476 0.02 . 2 . . . . 106 PRO HB2 . 15881 1 1194 . 1 1 106 106 PRO HB3 H 1 2.146 0.02 . 2 . . . . 106 PRO HB3 . 15881 1 1195 . 1 1 106 106 PRO HD2 H 1 3.946 0.02 . 2 . . . . 106 PRO HD2 . 15881 1 1196 . 1 1 106 106 PRO HD3 H 1 3.841 0.02 . 2 . . . . 106 PRO HD3 . 15881 1 1197 . 1 1 106 106 PRO HG2 H 1 2.181 0.02 . 2 . . . . 106 PRO HG2 . 15881 1 1198 . 1 1 106 106 PRO HG3 H 1 2.181 0.02 . 2 . . . . 106 PRO HG3 . 15881 1 1199 . 1 1 106 106 PRO CA C 13 62.542 0.2 . 1 . . . . 106 PRO CA . 15881 1 1200 . 1 1 106 106 PRO CB C 13 32.380 0.2 . 1 . . . . 106 PRO CB . 15881 1 1201 . 1 1 106 106 PRO CD C 13 50.712 0.2 . 1 . . . . 106 PRO CD . 15881 1 1202 . 1 1 106 106 PRO CG C 13 26.982 0.2 . 1 . . . . 106 PRO CG . 15881 1 1203 . 1 1 106 106 PRO N N 15 136.56 0.2 . 1 . . . . 106 PRO N . 15881 1 1204 . 1 1 107 107 THR H H 1 8.264 0.02 . 1 . . . . 107 THR H . 15881 1 1205 . 1 1 107 107 THR HA H 1 4.396 0.02 . 1 . . . . 107 THR HA . 15881 1 1206 . 1 1 107 107 THR HB H 1 4.566 0.02 . 1 . . . . 107 THR HB . 15881 1 1207 . 1 1 107 107 THR HG21 H 1 1.33 0.02 . 1 . . . . 107 THR QG2 . 15881 1 1208 . 1 1 107 107 THR HG22 H 1 1.33 0.02 . 1 . . . . 107 THR QG2 . 15881 1 1209 . 1 1 107 107 THR HG23 H 1 1.33 0.02 . 1 . . . . 107 THR QG2 . 15881 1 1210 . 1 1 107 107 THR C C 13 176.7 0.2 . 1 . . . . 107 THR C . 15881 1 1211 . 1 1 107 107 THR CB C 13 77.942 0.2 . 1 . . . . 107 THR CB . 15881 1 1212 . 1 1 107 107 THR N N 15 112.313 0.2 . 1 . . . . 107 THR N . 15881 1 1213 . 1 1 108 108 VAL H H 1 8.156 0.02 . 1 . . . . 108 VAL H . 15881 1 1214 . 1 1 108 108 VAL HA H 1 4.501 0.02 . 1 . . . . 108 VAL HA . 15881 1 1215 . 1 1 108 108 VAL HB H 1 2.211 0.02 . 1 . . . . 108 VAL HB . 15881 1 1216 . 1 1 108 108 VAL HG11 H 1 1.111 0.02 . 2 . . . . 108 VAL QG1 . 15881 1 1217 . 1 1 108 108 VAL HG12 H 1 1.111 0.02 . 2 . . . . 108 VAL QG1 . 15881 1 1218 . 1 1 108 108 VAL HG13 H 1 1.111 0.02 . 2 . . . . 108 VAL QG1 . 15881 1 1219 . 1 1 108 108 VAL HG21 H 1 1.111 0.02 . 2 . . . . 108 VAL QG2 . 15881 1 1220 . 1 1 108 108 VAL HG22 H 1 1.111 0.02 . 2 . . . . 108 VAL QG2 . 15881 1 1221 . 1 1 108 108 VAL HG23 H 1 1.111 0.02 . 2 . . . . 108 VAL QG2 . 15881 1 1222 . 1 1 108 108 VAL CA C 13 61.352 0.2 . 1 . . . . 108 VAL CA . 15881 1 1223 . 1 1 108 108 VAL CB C 13 33.632 0.2 . 1 . . . . 108 VAL CB . 15881 1 1224 . 1 1 108 108 VAL CG1 C 13 21.172 0.2 . 1 . . . . 108 VAL CG1 . 15881 1 1225 . 1 1 108 108 VAL CG2 C 13 20.612 0.2 . 1 . . . . 108 VAL CG2 . 15881 1 1226 . 1 1 108 108 VAL N N 15 121.220 0.2 . 1 . . . . 108 VAL N . 15881 1 1227 . 1 1 109 109 THR H H 1 8.409 0.02 . 1 . . . . 109 THR H . 15881 1 1228 . 1 1 109 109 THR CA C 13 58.272 0.2 . 1 . . . . 109 THR CA . 15881 1 1229 . 1 1 109 109 THR CB C 13 76.542 0.2 . 1 . . . . 109 THR CB . 15881 1 1230 . 1 1 109 109 THR N N 15 117.687 0.2 . 1 . . . . 109 THR N . 15881 1 1231 . 1 1 110 110 PRO HA H 1 4.751 0.02 . 1 . . . . 110 PRO HA . 15881 1 1232 . 1 1 110 110 PRO HB2 H 1 2.451 0.02 . 2 . . . . 110 PRO HB2 . 15881 1 1233 . 1 1 110 110 PRO HB3 H 1 2.101 0.02 . 2 . . . . 110 PRO HB3 . 15881 1 1234 . 1 1 110 110 PRO HD2 H 1 3.941 0.02 . 2 . . . . 110 PRO HD2 . 15881 1 1235 . 1 1 110 110 PRO HD3 H 1 3.826 0.02 . 2 . . . . 110 PRO HD3 . 15881 1 1236 . 1 1 110 110 PRO HG2 H 1 2.171 0.02 . 2 . . . . 110 PRO HG2 . 15881 1 1237 . 1 1 110 110 PRO HG3 H 1 2.171 0.02 . 2 . . . . 110 PRO HG3 . 15881 1 1238 . 1 1 110 110 PRO CA C 13 62.491 0.2 . 1 . . . . 110 PRO CA . 15881 1 1239 . 1 1 110 110 PRO CB C 13 29.753 2.631 . 1 . . . . 110 PRO CB . 15881 1 1240 . 1 1 110 110 PRO CD C 13 50.852 0.2 . 1 . . . . 110 PRO CD . 15881 1 1241 . 1 1 110 110 PRO N N 15 136.27 0.2 . 1 . . . . 110 PRO N . 15881 1 1242 . 1 1 111 111 THR H H 1 8.295 0.003 . 1 . . . . 111 THR H . 15881 1 1243 . 1 1 111 111 THR CA C 13 58.972 0.2 . 1 . . . . 111 THR CA . 15881 1 1244 . 1 1 111 111 THR CB C 13 76.612 0.2 . 1 . . . . 111 THR CB . 15881 1 1245 . 1 1 111 111 THR N N 15 114.276 0.167 . 1 . . . . 111 THR N . 15881 1 1246 . 1 1 112 112 PRO HA H 1 4.746 0.02 . 1 . . . . 112 PRO HA . 15881 1 1247 . 1 1 112 112 PRO HB2 H 1 2.481 0.02 . 2 . . . . 112 PRO HB2 . 15881 1 1248 . 1 1 112 112 PRO HB3 H 1 2.151 0.02 . 2 . . . . 112 PRO HB3 . 15881 1 1249 . 1 1 112 112 PRO HD2 H 1 3.971 0.02 . 2 . . . . 112 PRO HD2 . 15881 1 1250 . 1 1 112 112 PRO HD3 H 1 3.836 0.02 . 2 . . . . 112 PRO HD3 . 15881 1 1251 . 1 1 112 112 PRO HG2 H 1 2.186 0.02 . 2 . . . . 112 PRO HG2 . 15881 1 1252 . 1 1 112 112 PRO HG3 H 1 2.186 0.02 . 2 . . . . 112 PRO HG3 . 15881 1 1253 . 1 1 112 112 PRO CA C 13 62.822 0.2 . 1 . . . . 112 PRO CA . 15881 1 1254 . 1 1 112 112 PRO CB C 13 32.442 0.2 . 1 . . . . 112 PRO CB . 15881 1 1255 . 1 1 112 112 PRO CD C 13 50.782 0.2 . 1 . . . . 112 PRO CD . 15881 1 1256 . 1 1 112 112 PRO CG C 13 27.192 0.2 . 1 . . . . 112 PRO CG . 15881 1 1257 . 1 1 112 112 PRO N N 15 137.98 0.2 . 1 . . . . 112 PRO N . 15881 1 1258 . 1 1 113 113 THR H H 1 8.345 0.02 . 1 . . . . 113 THR H . 15881 1 1259 . 1 1 113 113 THR HA H 1 4.726 0.290 . 1 . . . . 113 THR HA . 15881 1 1260 . 1 1 113 113 THR HB H 1 4.571 0.02 . 1 . . . . 113 THR HB . 15881 1 1261 . 1 1 113 113 THR HG21 H 1 1.33 0.02 . 1 . . . . 113 THR QG2 . 15881 1 1262 . 1 1 113 113 THR HG22 H 1 1.33 0.02 . 1 . . . . 113 THR QG2 . 15881 1 1263 . 1 1 113 113 THR HG23 H 1 1.33 0.02 . 1 . . . . 113 THR QG2 . 15881 1 1264 . 1 1 113 113 THR CA C 13 60.022 0.2 . 1 . . . . 113 THR CA . 15881 1 1265 . 1 1 113 113 THR CB C 13 78.397 0.035 . 1 . . . . 113 THR CB . 15881 1 1266 . 1 1 113 113 THR N N 15 111.967 0.2 . 1 . . . . 113 THR N . 15881 1 1267 . 1 1 114 114 ASN H H 1 8.488 0.02 . 1 . . . . 114 ASN H . 15881 1 1268 . 1 1 114 114 ASN HA H 1 5.006 0.02 . 1 . . . . 114 ASN HA . 15881 1 1269 . 1 1 114 114 ASN HB2 H 1 2.951 0.02 . 2 . . . . 114 ASN HB2 . 15881 1 1270 . 1 1 114 114 ASN HB3 H 1 2.906 0.02 . 2 . . . . 114 ASN HB3 . 15881 1 1271 . 1 1 114 114 ASN HD21 H 1 7.704 0.02 . 2 . . . . 114 ASN HD21 . 15881 1 1272 . 1 1 114 114 ASN HD22 H 1 7.086 0.02 . 2 . . . . 114 ASN HD22 . 15881 1 1273 . 1 1 114 114 ASN CA C 13 52.742 0.2 . 1 . . . . 114 ASN CA . 15881 1 1274 . 1 1 114 114 ASN CB C 13 39.770 0.2 . 1 . . . . 114 ASN CB . 15881 1 1275 . 1 1 114 114 ASN N N 15 120.522 0.2 . 1 . . . . 114 ASN N . 15881 1 1276 . 1 1 114 114 ASN ND2 N 15 113.367 0.005 . 1 . . . . 114 ASN ND2 . 15881 1 1277 . 1 1 115 115 THR H H 1 8.465 0.009 . 1 . . . . 115 THR H . 15881 1 1278 . 1 1 115 115 THR C C 13 175.9 0.2 . 1 . . . . 115 THR C . 15881 1 1279 . 1 1 115 115 THR CB C 13 77.312 0.2 . 1 . . . . 115 THR CB . 15881 1 1280 . 1 1 115 115 THR N N 15 114.021 0.378 . 1 . . . . 115 THR N . 15881 1 1281 . 1 1 116 116 PRO HA H 1 4.621 0.02 . 1 . . . . 116 PRO HA . 15881 1 1282 . 1 1 116 116 PRO HB2 H 1 2.406 0.02 . 2 . . . . 116 PRO HB2 . 15881 1 1283 . 1 1 116 116 PRO HB3 H 1 2.086 0.02 . 2 . . . . 116 PRO HB3 . 15881 1 1284 . 1 1 116 116 PRO HD2 H 1 3.886 0.02 . 2 . . . . 116 PRO HD2 . 15881 1 1285 . 1 1 116 116 PRO HD3 H 1 3.826 0.02 . 2 . . . . 116 PRO HD3 . 15881 1 1286 . 1 1 116 116 PRO HG2 H 1 2.141 0.02 . 2 . . . . 116 PRO HG2 . 15881 1 1287 . 1 1 116 116 PRO HG3 H 1 2.141 0.02 . 2 . . . . 116 PRO HG3 . 15881 1 1288 . 1 1 116 116 PRO CA C 13 62.752 0.2 . 1 . . . . 116 PRO CA . 15881 1 1289 . 1 1 116 116 PRO CB C 13 32.232 0.2 . 1 . . . . 116 PRO CB . 15881 1 1290 . 1 1 116 116 PRO CD C 13 50.642 0.2 . 1 . . . . 116 PRO CD . 15881 1 1291 . 1 1 116 116 PRO CG C 13 26.982 0.2 . 1 . . . . 116 PRO CG . 15881 1 1292 . 1 1 116 116 PRO N N 15 136.76 0.2 . 1 . . . . 116 PRO N . 15881 1 1293 . 1 1 117 117 ASN H H 1 8.220 0.125 . 1 . . . . 117 ASN H . 15881 1 1294 . 1 1 117 117 ASN HD21 H 1 7.769 0.02 . 2 . . . . 117 ASN HD21 . 15881 1 1295 . 1 1 117 117 ASN HD22 H 1 6.984 0.018 . 2 . . . . 117 ASN HD22 . 15881 1 1296 . 1 1 117 117 ASN CA C 13 51.832 0.2 . 1 . . . . 117 ASN CA . 15881 1 1297 . 1 1 117 117 ASN CB C 13 38.742 0.2 . 1 . . . . 117 ASN CB . 15881 1 1298 . 1 1 117 117 ASN N N 15 119.293 0.489 . 1 . . . . 117 ASN N . 15881 1 1299 . 1 1 117 117 ASN ND2 N 15 114.158 0.022 . 1 . . . . 117 ASN ND2 . 15881 1 1300 . 1 1 118 118 PRO HA H 1 4.671 0.02 . 1 . . . . 118 PRO HA . 15881 1 1301 . 1 1 118 118 PRO HB2 H 1 2.416 0.02 . 2 . . . . 118 PRO HB2 . 15881 1 1302 . 1 1 118 118 PRO HB3 H 1 2.041 0.02 . 2 . . . . 118 PRO HB3 . 15881 1 1303 . 1 1 118 118 PRO HD3 H 1 3.816 0.02 . 2 . . . . 118 PRO HD3 . 15881 1 1304 . 1 1 118 118 PRO HG2 H 1 2.156 0.02 . 2 . . . . 118 PRO HG2 . 15881 1 1305 . 1 1 118 118 PRO HG3 H 1 2.156 0.02 . 2 . . . . 118 PRO HG3 . 15881 1 1306 . 1 1 118 118 PRO N N 15 142.87 0.2 . 1 . . . . 118 PRO N . 15881 1 1307 . 1 1 119 119 THR H H 1 8.092 0.02 . 1 . . . . 119 THR H . 15881 1 1308 . 1 1 119 119 THR N N 15 117.402 0.2 . 1 . . . . 119 THR N . 15881 1 1309 . 1 1 120 120 PRO CA C 13 60.448 0.2 . 1 . . . . 120 PRO CA . 15881 1 1310 . 1 1 120 120 PRO CB C 13 32.320 0.2 . 1 . . . . 120 PRO CB . 15881 1 1311 . 1 1 120 120 PRO CD C 13 50.642 0.2 . 1 . . . . 120 PRO CD . 15881 1 1312 . 1 1 120 120 PRO CG C 13 26.982 0.2 . 1 . . . . 120 PRO CG . 15881 1 1313 . 1 1 121 121 SER H H 1 8.269 0.113 . 1 . . . . 121 SER H . 15881 1 1314 . 1 1 121 121 SER CA C 13 62.612 0.2 . 1 . . . . 121 SER CA . 15881 1 1315 . 1 1 121 121 SER CB C 13 69.896 0.2 . 1 . . . . 121 SER CB . 15881 1 1316 . 1 1 121 121 SER N N 15 116.425 0.891 . 1 . . . . 121 SER N . 15881 1 1317 . 1 1 122 122 LYS H H 1 7.995 0.046 . 1 . . . . 122 LYS H . 15881 1 1318 . 1 1 122 122 LYS N N 15 129.368 0.678 . 1 . . . . 122 LYS N . 15881 1 1319 . 4 2 1 1 NAG C1' C 13 100.760 0.2 . 1 . . . . 91 NAG C1' . 15881 1 1320 . 4 2 1 1 NAG C2' C 13 56.460 0.2 . 1 . . . . 91 NAG C2' . 15881 1 1321 . 4 2 1 1 NAG C3' C 13 74.470 0.2 . 1 . . . . 91 NAG C3' . 15881 1 1322 . 4 2 1 1 NAG C4' C 13 72.700 0.2 . 1 . . . . 91 NAG C4' . 15881 1 1323 . 4 2 1 1 NAG C5' C 13 73.970 0.2 . 1 . . . . 91 NAG C5' . 15881 1 1324 . 4 2 1 1 NAG H1' H 1 4.950 0.02 . 1 . . . . 91 NAG H1' . 15881 1 1325 . 4 2 1 1 NAG H2' H 1 3.890 0.02 . 1 . . . . 91 NAG H2' . 15881 1 1326 . 4 2 1 1 NAG H3' H 1 3.750 0.02 . 1 . . . . 91 NAG H3' . 15881 1 1327 . 4 2 1 1 NAG H4' H 1 3.444 0.02 . 1 . . . . 91 NAG H4' . 15881 1 1328 . 4 2 1 1 NAG H5' H 1 3.750 0.02 . 1 . . . . 91 NAG H5' . 15881 1 1329 . 4 2 1 1 NAG C H 1 176.500 0.02 . 1 . . . . 91 NAG C . 15881 1 1330 . 4 2 1 1 NAG Me H 1 25.140 0.02 . 1 . . . . 91 NAG Me . 15881 1 1331 . 5 2 1 1 NAG C1' C 13 100.760 0.2 . 1 . . . . 95 NAG C1' . 15881 1 1332 . 5 2 1 1 NAG C2' C 13 56.460 0.2 . 1 . . . . 95 NAG C2' . 15881 1 1333 . 5 2 1 1 NAG C3' C 13 74.470 0.2 . 1 . . . . 95 NAG C3' . 15881 1 1334 . 5 2 1 1 NAG C4' C 13 72.700 0.2 . 1 . . . . 95 NAG C4' . 15881 1 1335 . 5 2 1 1 NAG C5' C 13 73.970 0.2 . 1 . . . . 95 NAG C5' . 15881 1 1336 . 5 2 1 1 NAG H1' H 1 4.950 0.02 . 1 . . . . 95 NAG H1' . 15881 1 1337 . 5 2 1 1 NAG H2' H 1 3.890 0.02 . 1 . . . . 95 NAG H2' . 15881 1 1338 . 5 2 1 1 NAG H3' H 1 3.750 0.02 . 1 . . . . 95 NAG H3' . 15881 1 1339 . 5 2 1 1 NAG H4' H 1 3.444 0.02 . 1 . . . . 95 NAG H4' . 15881 1 1340 . 5 2 1 1 NAG H5' H 1 3.750 0.02 . 1 . . . . 95 NAG H5' . 15881 1 1341 . 5 2 1 1 NAG C C 13 176.500 0.02 . 1 . . . . 95 NAG C . 15881 1 1342 . 5 2 1 1 NAG Me H 1 25.140 0.02 . 1 . . . . 95 NAG Me . 15881 1 1343 . 6 2 1 1 NAG C1' C 13 100.760 0.2 . 1 . . . . 97 NAG C1' . 15881 1 1344 . 6 2 1 1 NAG C2' C 13 56.460 0.2 . 1 . . . . 97 NAG C2' . 15881 1 1345 . 6 2 1 1 NAG C3' C 13 74.470 0.2 . 1 . . . . 97 NAG C3' . 15881 1 1346 . 6 2 1 1 NAG C4' C 13 72.700 0.2 . 1 . . . . 97 NAG C4' . 15881 1 1347 . 6 2 1 1 NAG C5' C 13 73.970 0.2 . 1 . . . . 97 NAG C5' . 15881 1 1348 . 6 2 1 1 NAG H1' H 1 4.950 0.02 . 1 . . . . 97 NAG H1' . 15881 1 1349 . 6 2 1 1 NAG H2' H 1 3.890 0.02 . 1 . . . . 97 NAG H2' . 15881 1 1350 . 6 2 1 1 NAG H3' H 1 3.750 0.02 . 1 . . . . 97 NAG H3' . 15881 1 1351 . 6 2 1 1 NAG H4' H 1 3.444 0.02 . 1 . . . . 97 NAG H4' . 15881 1 1352 . 6 2 1 1 NAG H5' H 1 100.760 0.02 . 1 . . . . 97 NAG H5' . 15881 1 1353 . 6 2 1 1 NAG C H 1 56.460 0.02 . 1 . . . . 97 NAG C . 15881 1 1354 . 6 2 1 1 NAG Me H 1 74.470 0.02 . 1 . . . . 97 NAG Me . 15881 1 1355 . 8 2 1 1 NAG C1' C 13 100.760 0.2 . 1 . . . . 101 NAG C1' . 15881 1 1356 . 8 2 1 1 NAG C2' C 13 56.460 0.2 . 1 . . . . 101 NAG C2' . 15881 1 1357 . 8 2 1 1 NAG C3' C 13 74.470 0.2 . 1 . . . . 101 NAG C3' . 15881 1 1358 . 8 2 1 1 NAG C4' C 13 72.700 0.2 . 1 . . . . 101 NAG C4' . 15881 1 1359 . 8 2 1 1 NAG C5' C 13 73.970 0.2 . 1 . . . . 101 NAG C5' . 15881 1 1360 . 8 2 1 1 NAG H1' H 1 4.950 0.02 . 1 . . . . 101 NAG H1' . 15881 1 1361 . 8 2 1 1 NAG H2' H 1 3.890 0.02 . 1 . . . . 101 NAG H2' . 15881 1 1362 . 8 2 1 1 NAG H3' H 1 3.750 0.02 . 1 . . . . 101 NAG H3' . 15881 1 1363 . 8 2 1 1 NAG H4' H 1 3.444 0.02 . 1 . . . . 101 NAG H4' . 15881 1 1364 . 8 2 1 1 NAG H5' H 1 3.750 0.02 . 1 . . . . 101 NAG H5' . 15881 1 1365 . 8 2 1 1 NAG C H 1 176.500 0.02 . 1 . . . . 101 NAG C . 15881 1 1366 . 8 2 1 1 NAG Me H 1 25.140 0.02 . 1 . . . . 101 NAG Me . 15881 1 1367 . 9 2 1 1 NAG C1' C 13 100.760 0.2 . 1 . . . . 103 NAG C1' . 15881 1 1368 . 9 2 1 1 NAG C2' C 13 56.460 0.2 . 1 . . . . 103 NAG C2' . 15881 1 1369 . 9 2 1 1 NAG C3' C 13 74.470 0.2 . 1 . . . . 103 NAG C3' . 15881 1 1370 . 9 2 1 1 NAG C4' C 13 72.700 0.2 . 1 . . . . 103 NAG C4' . 15881 1 1371 . 9 2 1 1 NAG C5' C 13 73.970 0.2 . 1 . . . . 103 NAG C5' . 15881 1 1372 . 9 2 1 1 NAG H1' H 1 4.950 0.02 . 1 . . . . 103 NAG H1' . 15881 1 1373 . 9 2 1 1 NAG H2' H 1 3.890 0.02 . 1 . . . . 103 NAG H2' . 15881 1 1374 . 9 2 1 1 NAG H3' H 1 3.750 0.02 . 1 . . . . 103 NAG H3' . 15881 1 1375 . 9 2 1 1 NAG H4' H 1 3.444 0.02 . 1 . . . . 103 NAG H4' . 15881 1 1376 . 9 2 1 1 NAG H5' H 1 100.760 0.02 . 1 . . . . 103 NAG H5' . 15881 1 1377 . 9 2 1 1 NAG C H 1 56.460 0.02 . 1 . . . . 103 NAG C . 15881 1 1378 . 9 2 1 1 NAG Me H 1 74.470 0.02 . 1 . . . . 103 NAG Me . 15881 1 1379 . 10 2 1 1 NAG C1' C 13 72.700 0.2 . 1 . . . . 107 NAG C1' . 15881 1 1380 . 10 2 1 1 NAG C2' C 13 73.970 0.2 . 1 . . . . 107 NAG C2' . 15881 1 1381 . 10 2 1 1 NAG C3' C 13 4.950 0.2 . 1 . . . . 107 NAG C3' . 15881 1 1382 . 10 2 1 1 NAG C4' C 13 3.890 0.2 . 1 . . . . 107 NAG C4' . 15881 1 1383 . 10 2 1 1 NAG C5' C 13 3.750 0.2 . 1 . . . . 107 NAG C5' . 15881 1 1384 . 10 2 1 1 NAG H1' H 1 3.444 0.02 . 1 . . . . 107 NAG H1' . 15881 1 1385 . 10 2 1 1 NAG H2' H 1 3.750 0.02 . 1 . . . . 107 NAG H2' . 15881 1 1386 . 10 2 1 1 NAG H3' H 1 176.500 0.02 . 1 . . . . 107 NAG H3' . 15881 1 1387 . 10 2 1 1 NAG H4' H 1 25.140 0.02 . 1 . . . . 107 NAG H4' . 15881 1 1388 . 10 2 1 1 NAG H5' H 1 100.760 0.02 . 1 . . . . 107 NAG H5' . 15881 1 1389 . 10 2 1 1 NAG C H 1 56.460 0.02 . 1 . . . . 107 NAG C . 15881 1 1390 . 10 2 1 1 NAG Me H 1 74.470 0.02 . 1 . . . . 107 NAG Me . 15881 1 1391 . 12 2 1 1 NAG C1' C 13 72.700 0.2 . 1 . . . . 115 NAG C1' . 15881 1 1392 . 12 2 1 1 NAG C2' C 13 73.970 0.2 . 1 . . . . 115 NAG C2' . 15881 1 1393 . 12 2 1 1 NAG C3' C 13 4.950 0.2 . 1 . . . . 115 NAG C3' . 15881 1 1394 . 12 2 1 1 NAG C4' C 13 3.890 0.2 . 1 . . . . 115 NAG C4' . 15881 1 1395 . 12 2 1 1 NAG C5' C 13 3.750 0.2 . 1 . . . . 115 NAG C5' . 15881 1 1396 . 12 2 1 1 NAG H1' H 1 3.444 0.02 . 1 . . . . 115 NAG H1' . 15881 1 1397 . 12 2 1 1 NAG H2' H 1 3.750 0.02 . 1 . . . . 115 NAG H2' . 15881 1 1398 . 12 2 1 1 NAG H3' H 1 176.500 0.02 . 1 . . . . 115 NAG H3' . 15881 1 1399 . 12 2 1 1 NAG H4' H 1 25.140 0.02 . 1 . . . . 115 NAG H4' . 15881 1 1400 . 12 2 1 1 NAG H5' H 1 100.760 0.02 . 1 . . . . 115 NAG H5' . 15881 1 1401 . 12 2 1 1 NAG C H 1 56.460 0.02 . 1 . . . . 115 NAG C . 15881 1 1402 . 12 2 1 1 NAG Me H 1 74.470 0.02 . 1 . . . . 115 NAG Me . 15881 1 stop_ save_