data_18898 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18898 _Entry.Title ; Backbone and side-chain assignments of a tethered complex between LMO4 and DEAF-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-13 _Entry.Accession_date 2012-12-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Soumya Joseph . . . 18898 2 Ann Kwan . HY . 18898 3 Joel Mackay . P. . 18898 4 Liza Cubeddu . . . 18898 5 Jacqueline Matthews . M. . 18898 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18898 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 18898 '15N chemical shifts' 103 18898 '1H chemical shifts' 608 18898 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 2 . . 2013-07-31 2012-12-13 update author 'update assignments of ASN residues' 18898 1 . . 2013-02-21 2012-12-13 original author 'original release' 18898 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18898 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23417771 _Citation.Full_citation . _Citation.Title 'Backbone and side-chain assignments of a tethered complex between LMO4 and DEAF-1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _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 Soumya Joseph . . . 18898 1 2 Ann Kwan . H.Y. . 18898 1 3 Joel Mackay . P. . 18898 1 4 Liza Cubeddu . . . 18898 1 5 Jacqueline Matthews . M. . 18898 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'breast cancer' 18898 1 DEAF-1 18898 1 'embryonic development' 18898 1 LMO4 18898 1 'transcriptional complex' 18898 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18898 _Assembly.ID 1 _Assembly.Name 'LMO4-DEAF-1 tethered complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 10261 _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 'LMO4-DEAF-1 tethered complex' 1 $LMO4-DEAF-1 A . yes native no no . . . 18898 1 2 'Zn2+, 1' 2 $entity_ZN A . no native no no . . . 18898 1 3 'Zn2+, 2' 2 $entity_ZN A . no native no no . . . 18898 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 coordinate single . 1 . 1 CYS 13 13 SG . 2 'Zn2+, 1' 2 ZN 1 1 ZN . . . . . . . . . . 18898 1 2 coordinate single . 1 . 1 CYS 16 16 SG . 2 'Zn2+, 1' 2 ZN 1 1 ZN . . . . . . . . . . 18898 1 3 coordinate single . 1 . 1 HIS 35 35 ND1 . 2 'Zn2+, 1' 2 ZN 1 1 ZN . . . . . . . . . . 18898 1 4 coordinate single . 1 . 1 CYS 38 38 SG . 2 'Zn2+, 1' 2 ZN 1 1 ZN . . . . . . . . . . 18898 1 5 coordinate single . 1 . 1 CYS 41 41 SG . 3 'Zn2+, 2' 2 ZN 1 1 ZN . . . . . . . . . . 18898 1 6 coordinate single . 1 . 1 CYS 44 44 SG . 3 'Zn2+, 2' 2 ZN 1 1 ZN . . . . . . . . . . 18898 1 7 coordinate single . 1 . 1 CYS 63 63 SG . 3 'Zn2+, 2' 2 ZN 1 1 ZN . . . . . . . . . . 18898 1 8 coordinate single . 1 . 1 ASP 66 66 OD . 3 'Zn2+, 2' 2 ZN 1 1 ZN . . . . . . . . . . 18898 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LMO4-DEAF-1 _Entity.Sf_category entity _Entity.Sf_framecode LMO4-DEAF-1 _Entity.Entry_ID 18898 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LMO4-DEAF-1 _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 ; GSYIRLFGNSGACSACGQSI PASELVMRAQGNVYHLKCFT CSTCRNRLVPGDRFHYINGS LFCEHDRPTALINGGSGGSG SIAPFPEAALPTSHPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; G1 S2 Y77 I78 R79 ...... L145 I146 N147 G901 G902 S903 G904 G905 S906 G907 S908 I404 A405 P406 ...... H416 P417 K418 ; _Entity.Polymer_author_seq_details ; G1 and S2 are non-native residues that remain from thrombin cleavage of the affinity tag. Residues Y3-N73 correspond to murine LMO4 residues 77-147. Residues G74-S81 correspond to a synthetic G/S linker peptide. Residues I82-K96 corresond to murine DEAF1 residues 404-418. ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment ; LMO4-LIM2 (47-147) DEAF-1 (404-418) ; _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 2015-11-25 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 BMRB 19415 . DIC4 . . . . . 100.00 96 100.00 100.00 9.90e-63 . . . . 18898 1 2 no PDB 2MBV . "Lmo4-lim2 In Complex With Deaf1 (404-418)" . . . . . 100.00 96 100.00 100.00 9.90e-63 . . . . 18898 1 3 no DBJ BAC37938 . "unnamed protein product [Mus musculus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 4 no DBJ BAE23609 . "unnamed protein product [Mus musculus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 5 no DBJ BAE35210 . "unnamed protein product [Mus musculus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 6 no DBJ BAF85267 . "unnamed protein product [Homo sapiens]" . . . . . 76.04 165 98.63 98.63 2.18e-44 . . . . 18898 1 7 no DBJ BAF93844 . "LIM domain only 4 [Sus scrofa]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 8 no EMBL CAF90424 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 75.00 166 98.61 100.00 1.92e-44 . . . . 18898 1 9 no EMBL CAJ82708 . "LIM domain only 4 [Xenopus (Silurana) tropicalis]" . . . . . 76.04 165 98.63 98.63 1.79e-44 . . . . 18898 1 10 no GB AAB51073 . "breast tumor autoantigen [Homo sapiens]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 11 no GB AAC62958 . "LIM domain transcription factor LMO4 [Mus musculus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 12 no GB AAC83789 . "LIM only 4 [Mus musculus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 13 no GB AAC98510 . "nuclear LIM-only 4 protein [Mus musculus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 14 no GB AAH03488 . "Lmo4 protein [Mus musculus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 15 no REF NP_001004922 . "LIM domain transcription factor LMO4.2 [Xenopus (Silurana) tropicalis]" . . . . . 76.04 165 98.63 98.63 1.79e-44 . . . . 18898 1 16 no REF NP_001009708 . "LIM domain transcription factor LMO4 [Rattus norvegicus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 17 no REF NP_001029923 . "LIM domain transcription factor LMO4 [Bos taurus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 18 no REF NP_001087890 . "LIM domain only 4, gene 1 [Xenopus laevis]" . . . . . 75.00 165 98.61 100.00 9.28e-44 . . . . 18898 1 19 no REF NP_001106156 . "LIM domain transcription factor LMO4 [Sus scrofa]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 20 no SP P61968 . "RecName: Full=LIM domain transcription factor LMO4; AltName: Full=Breast tumor autoantigen; AltName: Full=LIM domain only prote" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 21 no SP P61969 . "RecName: Full=LIM domain transcription factor LMO4; AltName: Full=Breast tumor autoantigen; AltName: Full=LIM domain only prote" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 22 no SP Q3SWZ8 . "RecName: Full=LIM domain transcription factor LMO4; AltName: Full=LIM domain only protein 4; Short=LMO-4 [Bos taurus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 23 no SP Q6DJ06 . "RecName: Full=LIM domain transcription factor LMO4.2; AltName: Full=LIM domain only protein 4.2; Short=LMO-4.2" . . . . . 76.04 165 98.63 98.63 1.79e-44 . . . . 18898 1 24 no TPG DAA31414 . "TPA: LIM domain transcription factor LMO4 [Bos taurus]" . . . . . 76.04 165 98.63 98.63 2.20e-44 . . . . 18898 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcriptional complex' 18898 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 1 GLY . 18898 1 2 2 SER . 18898 1 3 77 TYR . 18898 1 4 78 ILE . 18898 1 5 79 ARG . 18898 1 6 80 LEU . 18898 1 7 81 PHE . 18898 1 8 82 GLY . 18898 1 9 83 ASN . 18898 1 10 84 SER . 18898 1 11 85 GLY . 18898 1 12 86 ALA . 18898 1 13 87 CYS . 18898 1 14 88 SER . 18898 1 15 89 ALA . 18898 1 16 90 CYS . 18898 1 17 91 GLY . 18898 1 18 92 GLN . 18898 1 19 93 SER . 18898 1 20 94 ILE . 18898 1 21 95 PRO . 18898 1 22 96 ALA . 18898 1 23 97 SER . 18898 1 24 98 GLU . 18898 1 25 99 LEU . 18898 1 26 100 VAL . 18898 1 27 101 MET . 18898 1 28 102 ARG . 18898 1 29 103 ALA . 18898 1 30 104 GLN . 18898 1 31 105 GLY . 18898 1 32 106 ASN . 18898 1 33 107 VAL . 18898 1 34 108 TYR . 18898 1 35 109 HIS . 18898 1 36 110 LEU . 18898 1 37 111 LYS . 18898 1 38 112 CYS . 18898 1 39 113 PHE . 18898 1 40 114 THR . 18898 1 41 115 CYS . 18898 1 42 116 SER . 18898 1 43 117 THR . 18898 1 44 118 CYS . 18898 1 45 119 ARG . 18898 1 46 120 ASN . 18898 1 47 121 ARG . 18898 1 48 122 LEU . 18898 1 49 123 VAL . 18898 1 50 124 PRO . 18898 1 51 125 GLY . 18898 1 52 126 ASP . 18898 1 53 127 ARG . 18898 1 54 128 PHE . 18898 1 55 129 HIS . 18898 1 56 130 TYR . 18898 1 57 131 ILE . 18898 1 58 132 ASN . 18898 1 59 133 GLY . 18898 1 60 134 SER . 18898 1 61 135 LEU . 18898 1 62 136 PHE . 18898 1 63 137 CYS . 18898 1 64 138 GLU . 18898 1 65 139 HIS . 18898 1 66 140 ASP . 18898 1 67 141 ARG . 18898 1 68 142 PRO . 18898 1 69 143 THR . 18898 1 70 144 ALA . 18898 1 71 145 LEU . 18898 1 72 146 ILE . 18898 1 73 147 ASN . 18898 1 74 901 GLY . 18898 1 75 902 GLY . 18898 1 76 903 SER . 18898 1 77 904 GLY . 18898 1 78 905 GLY . 18898 1 79 906 SER . 18898 1 80 907 GLY . 18898 1 81 908 SER . 18898 1 82 404 ILE . 18898 1 83 405 ALA . 18898 1 84 406 PRO . 18898 1 85 407 PHE . 18898 1 86 408 PRO . 18898 1 87 409 GLU . 18898 1 88 410 ALA . 18898 1 89 411 ALA . 18898 1 90 412 LEU . 18898 1 91 413 PRO . 18898 1 92 414 THR . 18898 1 93 415 SER . 18898 1 94 416 HIS . 18898 1 95 417 PRO . 18898 1 96 418 LYS . 18898 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18898 1 . SER 2 2 18898 1 . TYR 3 3 18898 1 . ILE 4 4 18898 1 . ARG 5 5 18898 1 . LEU 6 6 18898 1 . PHE 7 7 18898 1 . GLY 8 8 18898 1 . ASN 9 9 18898 1 . SER 10 10 18898 1 . GLY 11 11 18898 1 . ALA 12 12 18898 1 . CYS 13 13 18898 1 . SER 14 14 18898 1 . ALA 15 15 18898 1 . CYS 16 16 18898 1 . GLY 17 17 18898 1 . GLN 18 18 18898 1 . SER 19 19 18898 1 . ILE 20 20 18898 1 . PRO 21 21 18898 1 . ALA 22 22 18898 1 . SER 23 23 18898 1 . GLU 24 24 18898 1 . LEU 25 25 18898 1 . VAL 26 26 18898 1 . MET 27 27 18898 1 . ARG 28 28 18898 1 . ALA 29 29 18898 1 . GLN 30 30 18898 1 . GLY 31 31 18898 1 . ASN 32 32 18898 1 . VAL 33 33 18898 1 . TYR 34 34 18898 1 . HIS 35 35 18898 1 . LEU 36 36 18898 1 . LYS 37 37 18898 1 . CYS 38 38 18898 1 . PHE 39 39 18898 1 . THR 40 40 18898 1 . CYS 41 41 18898 1 . SER 42 42 18898 1 . THR 43 43 18898 1 . CYS 44 44 18898 1 . ARG 45 45 18898 1 . ASN 46 46 18898 1 . ARG 47 47 18898 1 . LEU 48 48 18898 1 . VAL 49 49 18898 1 . PRO 50 50 18898 1 . GLY 51 51 18898 1 . ASP 52 52 18898 1 . ARG 53 53 18898 1 . PHE 54 54 18898 1 . HIS 55 55 18898 1 . TYR 56 56 18898 1 . ILE 57 57 18898 1 . ASN 58 58 18898 1 . GLY 59 59 18898 1 . SER 60 60 18898 1 . LEU 61 61 18898 1 . PHE 62 62 18898 1 . CYS 63 63 18898 1 . GLU 64 64 18898 1 . HIS 65 65 18898 1 . ASP 66 66 18898 1 . ARG 67 67 18898 1 . PRO 68 68 18898 1 . THR 69 69 18898 1 . ALA 70 70 18898 1 . LEU 71 71 18898 1 . ILE 72 72 18898 1 . ASN 73 73 18898 1 . GLY 74 74 18898 1 . GLY 75 75 18898 1 . SER 76 76 18898 1 . GLY 77 77 18898 1 . GLY 78 78 18898 1 . SER 79 79 18898 1 . GLY 80 80 18898 1 . SER 81 81 18898 1 . ILE 82 82 18898 1 . ALA 83 83 18898 1 . PRO 84 84 18898 1 . PHE 85 85 18898 1 . PRO 86 86 18898 1 . GLU 87 87 18898 1 . ALA 88 88 18898 1 . ALA 89 89 18898 1 . LEU 90 90 18898 1 . PRO 91 91 18898 1 . THR 92 92 18898 1 . SER 93 93 18898 1 . HIS 94 94 18898 1 . PRO 95 95 18898 1 . LYS 96 96 18898 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18898 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18898 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18898 2 ZN 'Three letter code' 18898 2 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 1 ZN $chem_comp_ZN 18898 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18898 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 18898 _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 $LMO4-DEAF-1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18898 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 18898 _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 $LMO4-DEAF-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta 2' . . . . . . . . . . . . . . . pGEX-2T . . . . . . 18898 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18898 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18898 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18898 ZN [Zn++] SMILES CACTVS 3.341 18898 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18898 ZN [Zn+2] SMILES ACDLabs 10.04 18898 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18898 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18898 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18898 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18898 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18898 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_LMO4-DEAF-1 _Sample.Sf_category sample _Sample.Sf_framecode sample_LMO4-DEAF-1 _Sample.Entry_ID 18898 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; add chloramphenicol 35 micrograms/mL and EDTA-free protease inhibitor tablet (1 tablet/50 mL). Then freeze-dry prior to resuspension for solution NMR ; _Sample.Aggregate_sample_number 3 _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 LMO4-DEAF-1 '[U-13C; U-15N]' . . 1 $LMO4-DEAF-1 . . 0.5 . . mM 0.2 . . . 18898 1 2 LMO4-DEAF-1 [U-15N] . . 1 $LMO4-DEAF-1 . . 0.5 . . mM 0.2 . . . 18898 1 3 LMO4-DEAF-1 'natural abundance' . . 1 $LMO4-DEAF-1 . . 0.5 . . mM 0.2 . . . 18898 1 4 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 18898 1 5 'sodium chloride' 'natural abundance' . . . . . . 35 . . mM 1 . . . 18898 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM 0.5 . . . 18898 1 7 H2O 'natural abundance' . . . . . . 55 . . M 1 . . . 18898 1 8 D2O 'natural abundance' . . . . . . 5 . . M 1 . . . 18898 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_LMO4-DEAF-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_LMO4-DEAF-1 _Sample_condition_list.Entry_ID 18898 _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' 0.1 .01 M 18898 1 pH 5.0 0.5 pH 18898 1 pressure 1 . atm 18898 1 temperature 298 1 K 18898 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18898 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18898 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18898 1 'data analysis' 18898 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 18898 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 18898 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '5 mm TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18898 _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 1 600 Bruker Avance . 600 '5 mm TCI cryoprobe' . . 18898 1 2 800 Bruker Avance . 800 '5 mm TCI cryoprobe' . . 18898 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 18898 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 1 $600 . . . . . . . . . . . . . . . . 18898 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 1 $600 . . . . . . . . . . . . . . . . 18898 1 3 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 1 $600 . . . . . . . . . . . . . . . . 18898 1 4 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 1 $600 . . . . . . . . . . . . . . . . 18898 1 5 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 1 $600 . . . . . . . . . . . . . . . . 18898 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 2 $800 . . . . . . . . . . . . . . . . 18898 1 7 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 2 $800 . . . . . . . . . . . . . . . . 18898 1 8 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 2 $800 . . . . . . . . . . . . . . . . 18898 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 2 $800 . . . . . . . . . . . . . . . . 18898 1 10 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 2 $800 . . . . . . . . . . . . . . . . 18898 1 11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 2 $800 . . . . . . . . . . . . . . . . 18898 1 12 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_LMO4-DEAF-1 isotropic . . 1 $condition_LMO4-DEAF-1 . . . 1 $600 . . . . . . . . . . . . . . . . 18898 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18898 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18898 _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 na indirect 0.251449530 . . . . . . . . . 18898 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18898 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18898 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18898 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 18898 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_LMO4-DEAF-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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18898 1 2 '2D 1H-13C HSQC' . . . 18898 1 3 '2D 1H-1H TOCSY' . . . 18898 1 4 '2D DQF-COSY' . . . 18898 1 6 '3D CBCA(CO)NH' . . . 18898 1 7 '3D HNCO' . . . 18898 1 8 '3D HNCACB' . . . 18898 1 9 '3D H(CCO)NH' . . . 18898 1 10 '3D HCCH-TOCSY' . . . 18898 1 11 '3D 1H-15N NOESY' . . . 18898 1 12 '3D 1H-13C NOESY aliphatic' . . . 18898 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 2 2 SER HA H 1 4.513 0 . 1 . . . . 2 S HA . 18898 1 2 . 1 1 2 2 SER HB2 H 1 3.792 0.004 . 1 . . . . 2 S QB . 18898 1 3 . 1 1 2 2 SER HB3 H 1 3.792 0.004 . 1 . . . . 2 S QB . 18898 1 4 . 1 1 2 2 SER C C 13 173.858 0.009 . 1 . . . . 2 S C . 18898 1 5 . 1 1 2 2 SER CA C 13 58.013 0.075 . 1 . . . . 2 S CA . 18898 1 6 . 1 1 2 2 SER CB C 13 63.981 0.181 . 1 . . . . 2 S CB . 18898 1 7 . 1 1 3 3 TYR H H 1 8.347 0.003 . 1 . . . . 77 Y HN . 18898 1 8 . 1 1 3 3 TYR HA H 1 4.613 0.004 . 1 . . . . 77 Y HA . 18898 1 9 . 1 1 3 3 TYR HB2 H 1 2.994 0.004 . 1 . . . . 77 Y HB2 . 18898 1 10 . 1 1 3 3 TYR HB3 H 1 2.977 0.008 . 1 . . . . 77 Y HB3 . 18898 1 11 . 1 1 3 3 TYR HD1 H 1 7.059 0.005 . 3 . . . . 77 Y QD . 18898 1 12 . 1 1 3 3 TYR HD2 H 1 7.059 0.005 . 3 . . . . 77 Y QD . 18898 1 13 . 1 1 3 3 TYR HE1 H 1 6.767 0.002 . 3 . . . . 77 Y QE . 18898 1 14 . 1 1 3 3 TYR HE2 H 1 6.767 0.002 . 3 . . . . 77 Y QE . 18898 1 15 . 1 1 3 3 TYR C C 13 175.274 0.022 . 1 . . . . 77 Y C . 18898 1 16 . 1 1 3 3 TYR CA C 13 57.909 0.101 . 1 . . . . 77 Y CA . 18898 1 17 . 1 1 3 3 TYR CB C 13 38.944 0.132 . 1 . . . . 77 Y CB . 18898 1 18 . 1 1 3 3 TYR N N 15 122.994 0.076 . 1 . . . . 77 Y N . 18898 1 19 . 1 1 4 4 ILE H H 1 8.025 0.002 . 1 . . . . 78 I HN . 18898 1 20 . 1 1 4 4 ILE HA H 1 4.042 0.002 . 1 . . . . 78 I HA . 18898 1 21 . 1 1 4 4 ILE HB H 1 1.728 0.004 . 1 . . . . 78 I HB . 18898 1 22 . 1 1 4 4 ILE HG12 H 1 1.413 0.001 . 1 . . . . 78 I HG12 . 18898 1 23 . 1 1 4 4 ILE HG13 H 1 1.104 0.003 . 1 . . . . 78 I HG13 . 18898 1 24 . 1 1 4 4 ILE HG21 H 1 0.808 0.001 . 1 . . . . 78 I QG2 . 18898 1 25 . 1 1 4 4 ILE HG22 H 1 0.808 0.001 . 1 . . . . 78 I QG2 . 18898 1 26 . 1 1 4 4 ILE HG23 H 1 0.808 0.001 . 1 . . . . 78 I QG2 . 18898 1 27 . 1 1 4 4 ILE HD11 H 1 0.816 0.005 . 1 . . . . 78 I QD1 . 18898 1 28 . 1 1 4 4 ILE HD12 H 1 0.816 0.005 . 1 . . . . 78 I QD1 . 18898 1 29 . 1 1 4 4 ILE HD13 H 1 0.816 0.005 . 1 . . . . 78 I QD1 . 18898 1 30 . 1 1 4 4 ILE C C 13 175.26 0.018 . 1 . . . . 78 I C . 18898 1 31 . 1 1 4 4 ILE CA C 13 60.727 0.184 . 1 . . . . 78 I CA . 18898 1 32 . 1 1 4 4 ILE CB C 13 38.922 0.023 . 1 . . . . 78 I CB . 18898 1 33 . 1 1 4 4 ILE CG1 C 13 27.364 0.093 . 1 . . . . 78 I CG1 . 18898 1 34 . 1 1 4 4 ILE CG2 C 13 17.31 0.093 . 1 . . . . 78 I CG2 . 18898 1 35 . 1 1 4 4 ILE CD1 C 13 12.731 0.04 . 1 . . . . 78 I CD1 . 18898 1 36 . 1 1 4 4 ILE N N 15 124.415 0.088 . 1 . . . . 78 I N . 18898 1 37 . 1 1 5 5 ARG H H 1 8.249 0.002 . 1 . . . . 79 R HN . 18898 1 38 . 1 1 5 5 ARG HA H 1 4.215 0 . 1 . . . . 79 R HA . 18898 1 39 . 1 1 5 5 ARG HB2 H 1 1.72 0.003 . 1 . . . . 79 R QB . 18898 1 40 . 1 1 5 5 ARG HB3 H 1 1.72 0.003 . 1 . . . . 79 R QB . 18898 1 41 . 1 1 5 5 ARG HG2 H 1 1.563 0.002 . 1 . . . . 79 R HG2 . 18898 1 42 . 1 1 5 5 ARG HG3 H 1 1.484 0.004 . 1 . . . . 79 R HG3 . 18898 1 43 . 1 1 5 5 ARG HD2 H 1 3.157 0.008 . 1 . . . . 79 R HD2 . 18898 1 44 . 1 1 5 5 ARG HD3 H 1 3.824 0 . 1 . . . . 79 R HD3 . 18898 1 45 . 1 1 5 5 ARG HE H 1 7.327 0.001 . 1 . . . . 79 R HE . 18898 1 46 . 1 1 5 5 ARG C C 13 175.494 0.04 . 1 . . . . 79 R C . 18898 1 47 . 1 1 5 5 ARG CA C 13 55.856 0.069 . 1 . . . . 79 R CA . 18898 1 48 . 1 1 5 5 ARG CB C 13 30.774 0.072 . 1 . . . . 79 R CB . 18898 1 49 . 1 1 5 5 ARG CG C 13 27.316 0.061 . 1 . . . . 79 R CG . 18898 1 50 . 1 1 5 5 ARG CD C 13 43.242 0.112 . 1 . . . . 79 R CD . 18898 1 51 . 1 1 5 5 ARG N N 15 125.999 0.08 . 1 . . . . 79 R N . 18898 1 52 . 1 1 5 5 ARG NE N 15 85.096 0.011 . 1 . . . . 79 R NE . 18898 1 53 . 1 1 6 6 LEU H H 1 8.19 0.002 . 1 . . . . 80 L HN . 18898 1 54 . 1 1 6 6 LEU HA H 1 4.292 0.009 . 1 . . . . 80 L HA . 18898 1 55 . 1 1 6 6 LEU HB2 H 1 1.521 0.005 . 1 . . . . 80 L HB2 . 18898 1 56 . 1 1 6 6 LEU HB3 H 1 1.38 0.005 . 1 . . . . 80 L HB3 . 18898 1 57 . 1 1 6 6 LEU HG H 1 1.507 0.004 . 1 . . . . 80 L HG . 18898 1 58 . 1 1 6 6 LEU HD11 H 1 0.854 0.003 . 1 . . . . 80 L QD1 . 18898 1 59 . 1 1 6 6 LEU HD12 H 1 0.854 0.003 . 1 . . . . 80 L QD1 . 18898 1 60 . 1 1 6 6 LEU HD13 H 1 0.854 0.003 . 1 . . . . 80 L QD1 . 18898 1 61 . 1 1 6 6 LEU HD21 H 1 0.782 0.006 . 1 . . . . 80 L QD2 . 18898 1 62 . 1 1 6 6 LEU HD22 H 1 0.782 0.006 . 1 . . . . 80 L QD2 . 18898 1 63 . 1 1 6 6 LEU HD23 H 1 0.782 0.006 . 1 . . . . 80 L QD2 . 18898 1 64 . 1 1 6 6 LEU C C 13 176.785 0.014 . 1 . . . . 80 L C . 18898 1 65 . 1 1 6 6 LEU CA C 13 54.82 0.071 . 1 . . . . 80 L CA . 18898 1 66 . 1 1 6 6 LEU CB C 13 42.52 0.201 . 1 . . . . 80 L CB . 18898 1 67 . 1 1 6 6 LEU CG C 13 26.948 0.069 . 1 . . . . 80 L CG . 18898 1 68 . 1 1 6 6 LEU CD1 C 13 25.017 0.079 . 1 . . . . 80 L CD1 . 18898 1 69 . 1 1 6 6 LEU CD2 C 13 23.337 0.061 . 1 . . . . 80 L CD2 . 18898 1 70 . 1 1 6 6 LEU N N 15 124.427 0.085 . 1 . . . . 80 L N . 18898 1 71 . 1 1 7 7 PHE H H 1 8.244 0.003 . 1 . . . . 81 F HN . 18898 1 72 . 1 1 7 7 PHE HA H 1 4.624 0.008 . 1 . . . . 81 F HA . 18898 1 73 . 1 1 7 7 PHE HB2 H 1 3.162 0.002 . 1 . . . . 81 F HB2 . 18898 1 74 . 1 1 7 7 PHE HB3 H 1 2.975 0.003 . 1 . . . . 81 F HB3 . 18898 1 75 . 1 1 7 7 PHE HD1 H 1 7.201 0.005 . 3 . . . . 81 F QD . 18898 1 76 . 1 1 7 7 PHE HD2 H 1 7.201 0.005 . 3 . . . . 81 F QD . 18898 1 77 . 1 1 7 7 PHE HE1 H 1 7.295 0.009 . 3 . . . . 81 F QE . 18898 1 78 . 1 1 7 7 PHE HE2 H 1 7.295 0.009 . 3 . . . . 81 F QE . 18898 1 79 . 1 1 7 7 PHE HZ H 1 7.246 0.006 . 1 . . . . 81 F HZ . 18898 1 80 . 1 1 7 7 PHE C C 13 176.212 0.015 . 1 . . . . 81 F C . 18898 1 81 . 1 1 7 7 PHE CA C 13 57.57 0.131 . 1 . . . . 81 F CA . 18898 1 82 . 1 1 7 7 PHE CB C 13 39.802 0.12 . 1 . . . . 81 F CB . 18898 1 83 . 1 1 7 7 PHE N N 15 120.462 0.111 . 1 . . . . 81 F N . 18898 1 84 . 1 1 8 8 GLY H H 1 8.351 0.005 . 1 . . . . 82 G HN . 18898 1 85 . 1 1 8 8 GLY HA2 H 1 4.066 0 . 1 . . . . 82 G HA1 . 18898 1 86 . 1 1 8 8 GLY HA3 H 1 3.915 0 . 1 . . . . 82 G HA2 . 18898 1 87 . 1 1 8 8 GLY C C 13 173.73 0.024 . 1 . . . . 82 G C . 18898 1 88 . 1 1 8 8 GLY CA C 13 45.415 0.031 . 1 . . . . 82 G CA . 18898 1 89 . 1 1 8 8 GLY N N 15 110.003 0.067 . 1 . . . . 82 G N . 18898 1 90 . 1 1 9 9 ASN H H 1 8.325 0.002 . 1 . . . . 83 N HN . 18898 1 91 . 1 1 9 9 ASN HA H 1 4.794 0.001 . 1 . . . . 83 N HA . 18898 1 92 . 1 1 9 9 ASN HB2 H 1 2.822 0.001 . 1 . . . . 83 N HB2 . 18898 1 93 . 1 1 9 9 ASN HB3 H 1 2.749 0.005 . 1 . . . . 83 N HB3 . 18898 1 94 . 1 1 9 9 ASN HD21 H 1 6.9 0.002 . 1 . . . . 83 N HD21 . 18898 1 95 . 1 1 9 9 ASN HD22 H 1 7.583 0.002 . 1 . . . . 83 N HD22 . 18898 1 96 . 1 1 9 9 ASN C C 13 175.312 0.028 . 1 . . . . 83 N C . 18898 1 97 . 1 1 9 9 ASN CA C 13 52.996 0.075 . 1 . . . . 83 N CA . 18898 1 98 . 1 1 9 9 ASN CB C 13 39.137 0.239 . 1 . . . . 83 N CB . 18898 1 99 . 1 1 9 9 ASN N N 15 118.84 0.092 . 1 . . . . 83 N N . 18898 1 100 . 1 1 9 9 ASN ND2 N 15 112.994 0.039 . 1 . . . . 83 N ND2 . 18898 1 101 . 1 1 10 10 SER H H 1 8.463 0.002 . 1 . . . . 84 S HN . 18898 1 102 . 1 1 10 10 SER CA C 13 58.823 0.041 . 1 . . . . 84 S CA . 18898 1 103 . 1 1 10 10 SER CB C 13 63.887 0.008 . 1 . . . . 84 S CB . 18898 1 104 . 1 1 10 10 SER N N 15 116.555 0.075 . 1 . . . . 84 S N . 18898 1 105 . 1 1 11 11 GLY H H 1 8.341 0.002 . 1 . . . . 85 G HN . 18898 1 106 . 1 1 11 11 GLY HA2 H 1 3.842 0.004 . 1 . . . . 85 G HA1 . 18898 1 107 . 1 1 11 11 GLY HA3 H 1 3.885 0.002 . 1 . . . . 85 G HA2 . 18898 1 108 . 1 1 11 11 GLY C C 13 172.709 0.032 . 1 . . . . 85 G C . 18898 1 109 . 1 1 11 11 GLY CA C 13 45.153 0.011 . 1 . . . . 85 G CA . 18898 1 110 . 1 1 11 11 GLY N N 15 109.826 0.108 . 1 . . . . 85 G N . 18898 1 111 . 1 1 12 12 ALA H H 1 7.703 0.002 . 1 . . . . 86 A HN . 18898 1 112 . 1 1 12 12 ALA HA H 1 4.447 0.006 . 1 . . . . 86 A HA . 18898 1 113 . 1 1 12 12 ALA HB1 H 1 0.998 0.01 . 1 . . . . 86 A HB . 18898 1 114 . 1 1 12 12 ALA HB2 H 1 0.998 0.01 . 1 . . . . 86 A HB . 18898 1 115 . 1 1 12 12 ALA HB3 H 1 0.998 0.01 . 1 . . . . 86 A HB . 18898 1 116 . 1 1 12 12 ALA C C 13 175.383 0.035 . 1 . . . . 86 A C . 18898 1 117 . 1 1 12 12 ALA CA C 13 50.523 0.093 . 1 . . . . 86 A CA . 18898 1 118 . 1 1 12 12 ALA CB C 13 20.712 0.067 . 1 . . . . 86 A CB . 18898 1 119 . 1 1 12 12 ALA N N 15 122.1 0.088 . 1 . . . . 86 A N . 18898 1 120 . 1 1 13 13 CYS H H 1 7.968 0.007 . 1 . . . . 87 C HN . 18898 1 121 . 1 1 13 13 CYS HA H 1 4.197 0.011 . 1 . . . . 87 C HA . 18898 1 122 . 1 1 13 13 CYS HB2 H 1 3.398 0.003 . 1 . . . . 87 C HB2 . 18898 1 123 . 1 1 13 13 CYS HB3 H 1 2.119 0.002 . 1 . . . . 87 C HB3 . 18898 1 124 . 1 1 13 13 CYS C C 13 178.454 0.003 . 1 . . . . 87 C C . 18898 1 125 . 1 1 13 13 CYS CA C 13 58.515 0.04 . 1 . . . . 87 C CA . 18898 1 126 . 1 1 13 13 CYS CB C 13 31.6 0.07 . 1 . . . . 87 C CB . 18898 1 127 . 1 1 13 13 CYS N N 15 121.922 0.112 . 1 . . . . 87 C N . 18898 1 128 . 1 1 14 14 SER H H 1 9.202 0.002 . 1 . . . . 88 S HN . 18898 1 129 . 1 1 14 14 SER HA H 1 4.174 0.001 . 1 . . . . 88 S HA . 18898 1 130 . 1 1 14 14 SER HB2 H 1 2.988 0.008 . 1 . . . . 88 S HB2 . 18898 1 131 . 1 1 14 14 SER HB3 H 1 3.749 0.009 . 1 . . . . 88 S HB3 . 18898 1 132 . 1 1 14 14 SER C C 13 173.647 0 . 1 . . . . 88 S C . 18898 1 133 . 1 1 14 14 SER CA C 13 62.158 0.092 . 1 . . . . 88 S CA . 18898 1 134 . 1 1 14 14 SER CB C 13 63.401 0.111 . 1 . . . . 88 S CB . 18898 1 135 . 1 1 14 14 SER N N 15 126.804 0.084 . 1 . . . . 88 S N . 18898 1 136 . 1 1 15 15 ALA H H 1 8.964 0.007 . 1 . . . . 89 A HN . 18898 1 137 . 1 1 15 15 ALA HA H 1 4.836 0.014 . 1 . . . . 89 A HA . 18898 1 138 . 1 1 15 15 ALA HB1 H 1 1.885 0.026 . 1 . . . . 89 A HB . 18898 1 139 . 1 1 15 15 ALA HB2 H 1 1.885 0.026 . 1 . . . . 89 A HB . 18898 1 140 . 1 1 15 15 ALA HB3 H 1 1.885 0.026 . 1 . . . . 89 A HB . 18898 1 141 . 1 1 15 15 ALA C C 13 178.007 0.018 . 1 . . . . 89 A C . 18898 1 142 . 1 1 15 15 ALA CA C 13 53.933 0.074 . 1 . . . . 89 A CA . 18898 1 143 . 1 1 15 15 ALA CB C 13 21.245 0.057 . 1 . . . . 89 A CB . 18898 1 144 . 1 1 15 15 ALA N N 15 123.763 0.09 . 1 . . . . 89 A N . 18898 1 145 . 1 1 16 16 CYS H H 1 8.078 0.002 . 1 . . . . 90 C HN . 18898 1 146 . 1 1 16 16 CYS HA H 1 5.032 0.006 . 1 . . . . 90 C HA . 18898 1 147 . 1 1 16 16 CYS HB2 H 1 3.394 0.003 . 1 . . . . 90 C HB2 . 18898 1 148 . 1 1 16 16 CYS HB3 H 1 3.097 0.002 . 1 . . . . 90 C HB3 . 18898 1 149 . 1 1 16 16 CYS C C 13 177.164 0.014 . 1 . . . . 90 C C . 18898 1 150 . 1 1 16 16 CYS CA C 13 58.754 0.127 . 1 . . . . 90 C CA . 18898 1 151 . 1 1 16 16 CYS CB C 13 31.688 0.053 . 1 . . . . 90 C CB . 18898 1 152 . 1 1 16 16 CYS N N 15 115.099 0.096 . 1 . . . . 90 C N . 18898 1 153 . 1 1 17 17 GLY H H 1 7.996 0.002 . 1 . . . . 91 G HN . 18898 1 154 . 1 1 17 17 GLY HA2 H 1 4.122 0.009 . 1 . . . . 91 G HA1 . 18898 1 155 . 1 1 17 17 GLY HA3 H 1 3.847 0.007 . 1 . . . . 91 G HA2 . 18898 1 156 . 1 1 17 17 GLY C C 13 173.725 0.027 . 1 . . . . 91 G C . 18898 1 157 . 1 1 17 17 GLY CA C 13 46.303 0.114 . 1 . . . . 91 G CA . 18898 1 158 . 1 1 17 17 GLY N N 15 112.869 0.065 . 1 . . . . 91 G N . 18898 1 159 . 1 1 18 18 GLN H H 1 8.341 0.004 . 1 . . . . 92 Q HN . 18898 1 160 . 1 1 18 18 GLN HA H 1 4.575 0.006 . 1 . . . . 92 Q HA . 18898 1 161 . 1 1 18 18 GLN HB2 H 1 2.176 0.002 . 1 . . . . 92 Q HB2 . 18898 1 162 . 1 1 18 18 GLN HB3 H 1 2.389 0.004 . 1 . . . . 92 Q HB3 . 18898 1 163 . 1 1 18 18 GLN HG2 H 1 2.548 0.001 . 1 . . . . 92 Q HG2 . 18898 1 164 . 1 1 18 18 GLN HG3 H 1 2.516 0.003 . 1 . . . . 92 Q HG3 . 18898 1 165 . 1 1 18 18 GLN HE21 H 1 6.913 0.009 . 1 . . . . 92 Q HE21 . 18898 1 166 . 1 1 18 18 GLN HE22 H 1 6.733 0.003 . 1 . . . . 92 Q HE22 . 18898 1 167 . 1 1 18 18 GLN C C 13 176.015 0.013 . 1 . . . . 92 Q C . 18898 1 168 . 1 1 18 18 GLN CA C 13 54.954 0.062 . 1 . . . . 92 Q CA . 18898 1 169 . 1 1 18 18 GLN CB C 13 30.026 0.057 . 1 . . . . 92 Q CB . 18898 1 170 . 1 1 18 18 GLN CG C 13 34.001 0.015 . 1 . . . . 92 Q CG . 18898 1 171 . 1 1 18 18 GLN N N 15 119.848 0.231 . 1 . . . . 92 Q N . 18898 1 172 . 1 1 18 18 GLN NE2 N 15 111.285 0.057 . 1 . . . . 92 Q NE2 . 18898 1 173 . 1 1 19 19 SER H H 1 8.656 0.002 . 1 . . . . 93 S HN . 18898 1 174 . 1 1 19 19 SER HB2 H 1 3.812 0 . 1 . . . . 93 S QB . 18898 1 175 . 1 1 19 19 SER HB3 H 1 3.812 0 . 1 . . . . 93 S QB . 18898 1 176 . 1 1 19 19 SER C C 13 173.776 0.004 . 1 . . . . 93 S C . 18898 1 177 . 1 1 19 19 SER CA C 13 59.491 0.072 . 1 . . . . 93 S CA . 18898 1 178 . 1 1 19 19 SER CB C 13 63.707 0.012 . 1 . . . . 93 S CB . 18898 1 179 . 1 1 19 19 SER N N 15 116.734 0.082 . 1 . . . . 93 S N . 18898 1 180 . 1 1 20 20 ILE H H 1 8.281 0.003 . 1 . . . . 94 I HN . 18898 1 181 . 1 1 20 20 ILE HA H 1 4.342 0.002 . 1 . . . . 94 I HA . 18898 1 182 . 1 1 20 20 ILE HB H 1 1.432 0.002 . 1 . . . . 94 I HB . 18898 1 183 . 1 1 20 20 ILE HG12 H 1 1.276 0.001 . 1 . . . . 94 I HG12 . 18898 1 184 . 1 1 20 20 ILE HG13 H 1 0.011 0.002 . 1 . . . . 94 I HG13 . 18898 1 185 . 1 1 20 20 ILE HG21 H 1 0.733 0.001 . 1 . . . . 94 I QG2 . 18898 1 186 . 1 1 20 20 ILE HG22 H 1 0.733 0.001 . 1 . . . . 94 I QG2 . 18898 1 187 . 1 1 20 20 ILE HG23 H 1 0.733 0.001 . 1 . . . . 94 I QG2 . 18898 1 188 . 1 1 20 20 ILE HD11 H 1 0.213 0.009 . 1 . . . . 94 I QD1 . 18898 1 189 . 1 1 20 20 ILE HD12 H 1 0.213 0.009 . 1 . . . . 94 I QD1 . 18898 1 190 . 1 1 20 20 ILE HD13 H 1 0.213 0.009 . 1 . . . . 94 I QD1 . 18898 1 191 . 1 1 20 20 ILE CA C 13 58.525 0.03 . 1 . . . . 94 I CA . 18898 1 192 . 1 1 20 20 ILE CB C 13 39.907 0.039 . 1 . . . . 94 I CB . 18898 1 193 . 1 1 20 20 ILE CG1 C 13 27.015 0.075 . 1 . . . . 94 I CG1 . 18898 1 194 . 1 1 20 20 ILE CG2 C 13 17.847 0.065 . 1 . . . . 94 I CG2 . 18898 1 195 . 1 1 20 20 ILE CD1 C 13 13.615 0.053 . 1 . . . . 94 I CD1 . 18898 1 196 . 1 1 20 20 ILE N N 15 126.045 0.087 . 1 . . . . 94 I N . 18898 1 197 . 1 1 21 21 PRO HA H 1 4.473 0.004 . 1 . . . . 95 P HA . 18898 1 198 . 1 1 21 21 PRO HB2 H 1 2.415 0.004 . 1 . . . . 95 P HB2 . 18898 1 199 . 1 1 21 21 PRO HB3 H 1 1.945 0.003 . 1 . . . . 95 P HB3 . 18898 1 200 . 1 1 21 21 PRO HG2 H 1 2.126 0.003 . 1 . . . . 95 P HG2 . 18898 1 201 . 1 1 21 21 PRO HG3 H 1 2.021 0 . 1 . . . . 95 P HG3 . 18898 1 202 . 1 1 21 21 PRO HD2 H 1 4.003 0.007 . 1 . . . . 95 P HD2 . 18898 1 203 . 1 1 21 21 PRO HD3 H 1 3.801 0.002 . 1 . . . . 95 P HD3 . 18898 1 204 . 1 1 21 21 PRO C C 13 176.605 0.016 . 1 . . . . 95 P C . 18898 1 205 . 1 1 21 21 PRO CA C 13 62.852 0.058 . 1 . . . . 95 P CA . 18898 1 206 . 1 1 21 21 PRO CB C 13 32.791 0.052 . 1 . . . . 95 P CB . 18898 1 207 . 1 1 21 21 PRO CG C 13 27.585 0.052 . 1 . . . . 95 P CG . 18898 1 208 . 1 1 21 21 PRO CD C 13 51.49 0.061 . 1 . . . . 95 P CD . 18898 1 209 . 1 1 22 22 ALA H H 1 8.4 0.002 . 1 . . . . 96 A HN . 18898 1 210 . 1 1 22 22 ALA HA H 1 4 0 . 1 . . . . 96 A HA . 18898 1 211 . 1 1 22 22 ALA HB1 H 1 1.418 0 . 1 . . . . 96 A HB . 18898 1 212 . 1 1 22 22 ALA HB2 H 1 1.418 0 . 1 . . . . 96 A HB . 18898 1 213 . 1 1 22 22 ALA HB3 H 1 1.418 0 . 1 . . . . 96 A HB . 18898 1 214 . 1 1 22 22 ALA C C 13 177.763 0.002 . 1 . . . . 96 A C . 18898 1 215 . 1 1 22 22 ALA CA C 13 54.605 0.068 . 1 . . . . 96 A CA . 18898 1 216 . 1 1 22 22 ALA CB C 13 19.106 0.047 . 1 . . . . 96 A CB . 18898 1 217 . 1 1 22 22 ALA N N 15 122.591 0.07 . 1 . . . . 96 A N . 18898 1 218 . 1 1 23 23 SER H H 1 7.796 0.002 . 1 . . . . 97 S HN . 18898 1 219 . 1 1 23 23 SER HA H 1 4.27 0.003 . 1 . . . . 97 S HA . 18898 1 220 . 1 1 23 23 SER HB2 H 1 3.925 0.001 . 1 . . . . 97 S HB2 . 18898 1 221 . 1 1 23 23 SER HB3 H 1 3.876 0.007 . 1 . . . . 97 S HB3 . 18898 1 222 . 1 1 23 23 SER C C 13 174.625 0.134 . 1 . . . . 97 S C . 18898 1 223 . 1 1 23 23 SER CA C 13 58.532 0.079 . 1 . . . . 97 S CA . 18898 1 224 . 1 1 23 23 SER CB C 13 63.538 0.076 . 1 . . . . 97 S CB . 18898 1 225 . 1 1 23 23 SER N N 15 107.288 0.102 . 1 . . . . 97 S N . 18898 1 226 . 1 1 24 24 GLU H H 1 7.649 0.003 . 1 . . . . 98 E HN . 18898 1 227 . 1 1 24 24 GLU HA H 1 4.257 0.002 . 1 . . . . 98 E HA . 18898 1 228 . 1 1 24 24 GLU HB2 H 1 2.095 0.006 . 1 . . . . 98 E HB2 . 18898 1 229 . 1 1 24 24 GLU HB3 H 1 1.98 0.007 . 1 . . . . 98 E HB3 . 18898 1 230 . 1 1 24 24 GLU HG2 H 1 2.393 0.003 . 1 . . . . 98 E HG2 . 18898 1 231 . 1 1 24 24 GLU HG3 H 1 2.334 0.001 . 1 . . . . 98 E HG3 . 18898 1 232 . 1 1 24 24 GLU C C 13 175.476 0.018 . 1 . . . . 98 E C . 18898 1 233 . 1 1 24 24 GLU CA C 13 56.521 0.067 . 1 . . . . 98 E CA . 18898 1 234 . 1 1 24 24 GLU CB C 13 31.081 0.078 . 1 . . . . 98 E CB . 18898 1 235 . 1 1 24 24 GLU CG C 13 36.711 0.023 . 1 . . . . 98 E CG . 18898 1 236 . 1 1 24 24 GLU N N 15 124.231 0.101 . 1 . . . . 98 E N . 18898 1 237 . 1 1 25 25 LEU H H 1 8.25 0.003 . 1 . . . . 99 L HN . 18898 1 238 . 1 1 25 25 LEU HA H 1 4.505 0.005 . 1 . . . . 99 L HA . 18898 1 239 . 1 1 25 25 LEU HB2 H 1 1.809 0.006 . 1 . . . . 99 L HB2 . 18898 1 240 . 1 1 25 25 LEU HB3 H 1 1.206 0.003 . 1 . . . . 99 L HB3 . 18898 1 241 . 1 1 25 25 LEU HG H 1 1.755 0.002 . 1 . . . . 99 L HG . 18898 1 242 . 1 1 25 25 LEU HD11 H 1 0.889 0.001 . 1 . . . . 99 L QD1 . 18898 1 243 . 1 1 25 25 LEU HD12 H 1 0.889 0.001 . 1 . . . . 99 L QD1 . 18898 1 244 . 1 1 25 25 LEU HD13 H 1 0.889 0.001 . 1 . . . . 99 L QD1 . 18898 1 245 . 1 1 25 25 LEU HD21 H 1 0.707 0 . 1 . . . . 99 L QD2 . 18898 1 246 . 1 1 25 25 LEU HD22 H 1 0.707 0 . 1 . . . . 99 L QD2 . 18898 1 247 . 1 1 25 25 LEU HD23 H 1 0.707 0 . 1 . . . . 99 L QD2 . 18898 1 248 . 1 1 25 25 LEU C C 13 176.253 0.004 . 1 . . . . 99 L C . 18898 1 249 . 1 1 25 25 LEU CA C 13 54.635 0.063 . 1 . . . . 99 L CA . 18898 1 250 . 1 1 25 25 LEU CB C 13 42.967 0.063 . 1 . . . . 99 L CB . 18898 1 251 . 1 1 25 25 LEU CG C 13 27.097 0.067 . 1 . . . . 99 L CG . 18898 1 252 . 1 1 25 25 LEU CD1 C 13 25.51 0.049 . 1 . . . . 99 L CD1 . 18898 1 253 . 1 1 25 25 LEU CD2 C 13 22.522 0.012 . 1 . . . . 99 L CD2 . 18898 1 254 . 1 1 25 25 LEU N N 15 122.696 0.061 . 1 . . . . 99 L N . 18898 1 255 . 1 1 26 26 VAL H H 1 8.934 0.003 . 1 . . . . 100 V HN . 18898 1 256 . 1 1 26 26 VAL HA H 1 4.903 0.006 . 1 . . . . 100 V HA . 18898 1 257 . 1 1 26 26 VAL HB H 1 2.055 0.005 . 1 . . . . 100 V HB . 18898 1 258 . 1 1 26 26 VAL HG11 H 1 0.743 0.003 . 1 . . . . 100 V QG1 . 18898 1 259 . 1 1 26 26 VAL HG12 H 1 0.743 0.003 . 1 . . . . 100 V QG1 . 18898 1 260 . 1 1 26 26 VAL HG13 H 1 0.743 0.003 . 1 . . . . 100 V QG1 . 18898 1 261 . 1 1 26 26 VAL HG21 H 1 0.599 0.005 . 1 . . . . 100 V QG2 . 18898 1 262 . 1 1 26 26 VAL HG22 H 1 0.599 0.005 . 1 . . . . 100 V QG2 . 18898 1 263 . 1 1 26 26 VAL HG23 H 1 0.599 0.005 . 1 . . . . 100 V QG2 . 18898 1 264 . 1 1 26 26 VAL C C 13 175.544 0.015 . 1 . . . . 100 V C . 18898 1 265 . 1 1 26 26 VAL CA C 13 58.747 0.114 . 1 . . . . 100 V CA . 18898 1 266 . 1 1 26 26 VAL CB C 13 35.898 0.043 . 1 . . . . 100 V CB . 18898 1 267 . 1 1 26 26 VAL CG1 C 13 23.568 0.022 . 1 . . . . 100 V CG1 . 18898 1 268 . 1 1 26 26 VAL CG2 C 13 18.06 0.028 . 1 . . . . 100 V CG2 . 18898 1 269 . 1 1 26 26 VAL N N 15 112.933 0.089 . 1 . . . . 100 V N . 18898 1 270 . 1 1 27 27 MET H H 1 8.299 0.003 . 1 . . . . 101 M HN . 18898 1 271 . 1 1 27 27 MET HA H 1 4.676 0.005 . 1 . . . . 101 M HA . 18898 1 272 . 1 1 27 27 MET HB2 H 1 1.15 0.004 . 1 . . . . 101 M HB2 . 18898 1 273 . 1 1 27 27 MET HB3 H 1 0.426 0.001 . 1 . . . . 101 M HB3 . 18898 1 274 . 1 1 27 27 MET HG2 H 1 2.122 0.005 . 1 . . . . 101 M HG2 . 18898 1 275 . 1 1 27 27 MET HG3 H 1 1.895 0.002 . 1 . . . . 101 M HG3 . 18898 1 276 . 1 1 27 27 MET HE1 H 1 1.751 0.002 . 1 . . . . 101 M HE . 18898 1 277 . 1 1 27 27 MET HE2 H 1 1.751 0.002 . 1 . . . . 101 M HE . 18898 1 278 . 1 1 27 27 MET HE3 H 1 1.751 0.002 . 1 . . . . 101 M HE . 18898 1 279 . 1 1 27 27 MET C C 13 175.197 0.007 . 1 . . . . 101 M C . 18898 1 280 . 1 1 27 27 MET CA C 13 52.397 0.076 . 1 . . . . 101 M CA . 18898 1 281 . 1 1 27 27 MET CB C 13 34.49 0.054 . 1 . . . . 101 M CB . 18898 1 282 . 1 1 27 27 MET CG C 13 31.629 0.046 . 1 . . . . 101 M CG . 18898 1 283 . 1 1 27 27 MET CE C 13 17.718 0.041 . 1 . . . . 101 M CE . 18898 1 284 . 1 1 27 27 MET N N 15 116.964 0.075 . 1 . . . . 101 M N . 18898 1 285 . 1 1 28 28 ARG H H 1 8.112 0.002 . 1 . . . . 102 R HN . 18898 1 286 . 1 1 28 28 ARG HA H 1 5.154 0.003 . 1 . . . . 102 R HA . 18898 1 287 . 1 1 28 28 ARG HB2 H 1 1.653 0.007 . 1 . . . . 102 R HB2 . 18898 1 288 . 1 1 28 28 ARG HB3 H 1 1.531 0.005 . 1 . . . . 102 R HB3 . 18898 1 289 . 1 1 28 28 ARG HG2 H 1 1.444 0.005 . 1 . . . . 102 R HG2 . 18898 1 290 . 1 1 28 28 ARG HG3 H 1 1.344 0.003 . 1 . . . . 102 R HG3 . 18898 1 291 . 1 1 28 28 ARG HD2 H 1 3.144 0.004 . 1 . . . . 102 R HD2 . 18898 1 292 . 1 1 28 28 ARG HD3 H 1 3.052 0.003 . 1 . . . . 102 R HD3 . 18898 1 293 . 1 1 28 28 ARG C C 13 175.008 0.022 . 1 . . . . 102 R C . 18898 1 294 . 1 1 28 28 ARG CA C 13 54.85 0.095 . 1 . . . . 102 R CA . 18898 1 295 . 1 1 28 28 ARG CB C 13 32.335 0.016 . 1 . . . . 102 R CB . 18898 1 296 . 1 1 28 28 ARG CG C 13 28.817 0.088 . 1 . . . . 102 R CG . 18898 1 297 . 1 1 28 28 ARG CD C 13 43.054 0.057 . 1 . . . . 102 R CD . 18898 1 298 . 1 1 28 28 ARG N N 15 122.278 0.062 . 1 . . . . 102 R N . 18898 1 299 . 1 1 29 29 ALA H H 1 8.129 0.003 . 1 . . . . 103 A HN . 18898 1 300 . 1 1 29 29 ALA HA H 1 4.599 0.002 . 1 . . . . 103 A HA . 18898 1 301 . 1 1 29 29 ALA HB1 H 1 1.354 0 . 1 . . . . 103 A HB . 18898 1 302 . 1 1 29 29 ALA HB2 H 1 1.354 0 . 1 . . . . 103 A HB . 18898 1 303 . 1 1 29 29 ALA HB3 H 1 1.354 0 . 1 . . . . 103 A HB . 18898 1 304 . 1 1 29 29 ALA C C 13 176.137 0.02 . 1 . . . . 103 A C . 18898 1 305 . 1 1 29 29 ALA CA C 13 52.049 0.098 . 1 . . . . 103 A CA . 18898 1 306 . 1 1 29 29 ALA CB C 13 21.835 0.061 . 1 . . . . 103 A CB . 18898 1 307 . 1 1 29 29 ALA N N 15 123.373 0.074 . 1 . . . . 103 A N . 18898 1 308 . 1 1 30 30 GLN H H 1 9.312 0.001 . 1 . . . . 104 Q HN . 18898 1 309 . 1 1 30 30 GLN HA H 1 3.802 0 . 1 . . . . 104 Q HA . 18898 1 310 . 1 1 30 30 GLN HB2 H 1 2.109 0.001 . 1 . . . . 104 Q HB2 . 18898 1 311 . 1 1 30 30 GLN HB3 H 1 1.737 0.003 . 1 . . . . 104 Q HB3 . 18898 1 312 . 1 1 30 30 GLN HG2 H 1 2.184 0.001 . 1 . . . . 104 Q HG2 . 18898 1 313 . 1 1 30 30 GLN HG3 H 1 2.053 0.002 . 1 . . . . 104 Q HG3 . 18898 1 314 . 1 1 30 30 GLN HE21 H 1 7.301 0.003 . 1 . . . . 104 Q HE21 . 18898 1 315 . 1 1 30 30 GLN HE22 H 1 6.774 0.003 . 1 . . . . 104 Q HE22 . 18898 1 316 . 1 1 30 30 GLN C C 13 175.032 0.026 . 1 . . . . 104 Q C . 18898 1 317 . 1 1 30 30 GLN CA C 13 56.385 0.057 . 1 . . . . 104 Q CA . 18898 1 318 . 1 1 30 30 GLN CB C 13 25.801 0.106 . 1 . . . . 104 Q CB . 18898 1 319 . 1 1 30 30 GLN CG C 13 33.569 0.036 . 1 . . . . 104 Q CG . 18898 1 320 . 1 1 30 30 GLN N N 15 120.352 0.078 . 1 . . . . 104 Q N . 18898 1 321 . 1 1 30 30 GLN NE2 N 15 110.891 0.274 . 1 . . . . 104 Q NE2 . 18898 1 322 . 1 1 31 31 GLY H H 1 8.493 0.001 . 1 . . . . 105 G HN . 18898 1 323 . 1 1 31 31 GLY HA2 H 1 3.59 0.006 . 1 . . . . 105 G HA1 . 18898 1 324 . 1 1 31 31 GLY HA3 H 1 4.093 0.004 . 1 . . . . 105 G HA2 . 18898 1 325 . 1 1 31 31 GLY C C 13 173.414 0.046 . 1 . . . . 105 G C . 18898 1 326 . 1 1 31 31 GLY CA C 13 45.475 0.059 . 1 . . . . 105 G CA . 18898 1 327 . 1 1 31 31 GLY N N 15 105.58 0.103 . 1 . . . . 105 G N . 18898 1 328 . 1 1 32 32 ASN H H 1 8.085 0.002 . 1 . . . . 106 N HN . 18898 1 329 . 1 1 32 32 ASN HA H 1 4.82 0.003 . 1 . . . . 106 N HA . 18898 1 330 . 1 1 32 32 ASN HB2 H 1 2.985 0.002 . 1 . . . . 106 N HB2 . 18898 1 331 . 1 1 32 32 ASN HB3 H 1 2.383 0.007 . 1 . . . . 106 N HB3 . 18898 1 332 . 1 1 32 32 ASN HD21 H 1 7.548 0.001 . 1 . . . . 106 N HD21 . 18898 1 333 . 1 1 32 32 ASN HD22 H 1 6.902 0 . 1 . . . . 106 N HD22 . 18898 1 334 . 1 1 32 32 ASN C C 13 174.06 0.018 . 1 . . . . 106 N C . 18898 1 335 . 1 1 32 32 ASN CA C 13 51.777 0.187 . 1 . . . . 106 N CA . 18898 1 336 . 1 1 32 32 ASN CB C 13 41.604 0.161 . 1 . . . . 106 N CB . 18898 1 337 . 1 1 32 32 ASN N N 15 120.347 0.056 . 1 . . . . 106 N N . 18898 1 338 . 1 1 32 32 ASN ND2 N 15 113.299 0.021 . 1 . . . . 106 N ND2 . 18898 1 339 . 1 1 33 33 VAL H H 1 8.207 0.003 . 1 . . . . 107 V HN . 18898 1 340 . 1 1 33 33 VAL HA H 1 4.774 0 . 1 . . . . 107 V HA . 18898 1 341 . 1 1 33 33 VAL HB H 1 1.741 0.002 . 1 . . . . 107 V HB . 18898 1 342 . 1 1 33 33 VAL HG11 H 1 0.711 0.007 . 2 . . . . 107 V QG1 . 18898 1 343 . 1 1 33 33 VAL HG12 H 1 0.711 0.007 . 2 . . . . 107 V QG1 . 18898 1 344 . 1 1 33 33 VAL HG13 H 1 0.711 0.007 . 2 . . . . 107 V QG1 . 18898 1 345 . 1 1 33 33 VAL HG21 H 1 0.711 0.007 . 2 . . . . 107 V QG2 . 18898 1 346 . 1 1 33 33 VAL HG22 H 1 0.711 0.007 . 2 . . . . 107 V QG2 . 18898 1 347 . 1 1 33 33 VAL HG23 H 1 0.711 0.007 . 2 . . . . 107 V QG2 . 18898 1 348 . 1 1 33 33 VAL C C 13 173.066 0.047 . 1 . . . . 107 V C . 18898 1 349 . 1 1 33 33 VAL CA C 13 60.576 0.051 . 1 . . . . 107 V CA . 18898 1 350 . 1 1 33 33 VAL CB C 13 34.475 0.039 . 1 . . . . 107 V CB . 18898 1 351 . 1 1 33 33 VAL CG1 C 13 21.184 0.041 . 2 . . . . 107 V CG1 . 18898 1 352 . 1 1 33 33 VAL CG2 C 13 21.184 0.041 . 2 . . . . 107 V CG2 . 18898 1 353 . 1 1 33 33 VAL N N 15 118.992 0.08 . 1 . . . . 107 V N . 18898 1 354 . 1 1 34 34 TYR H H 1 8.681 0.011 . 1 . . . . 108 Y HN . 18898 1 355 . 1 1 34 34 TYR HA H 1 5.93 0.016 . 1 . . . . 108 Y HA . 18898 1 356 . 1 1 34 34 TYR HB2 H 1 3.113 0.017 . 1 . . . . 108 Y HB2 . 18898 1 357 . 1 1 34 34 TYR HB3 H 1 2.474 0.016 . 1 . . . . 108 Y HB3 . 18898 1 358 . 1 1 34 34 TYR HD1 H 1 6.949 0.003 . 3 . . . . 108 Y QD . 18898 1 359 . 1 1 34 34 TYR HD2 H 1 6.949 0.003 . 3 . . . . 108 Y QD . 18898 1 360 . 1 1 34 34 TYR HE1 H 1 6.705 0.003 . 3 . . . . 108 Y QE . 18898 1 361 . 1 1 34 34 TYR HE2 H 1 6.705 0.003 . 3 . . . . 108 Y QE . 18898 1 362 . 1 1 34 34 TYR C C 13 177.709 0.003 . 1 . . . . 108 Y C . 18898 1 363 . 1 1 34 34 TYR CA C 13 56.002 0.079 . 1 . . . . 108 Y CA . 18898 1 364 . 1 1 34 34 TYR CB C 13 42.938 0.075 . 1 . . . . 108 Y CB . 18898 1 365 . 1 1 34 34 TYR N N 15 121.397 0.083 . 1 . . . . 108 Y N . 18898 1 366 . 1 1 35 35 HIS H H 1 8.681 0.002 . 1 . . . . 109 H HN . 18898 1 367 . 1 1 35 35 HIS HA H 1 4.757 0.018 . 1 . . . . 109 H HA . 18898 1 368 . 1 1 35 35 HIS HB2 H 1 3.573 0.003 . 1 . . . . 109 H HB2 . 18898 1 369 . 1 1 35 35 HIS HB3 H 1 3.641 0 . 1 . . . . 109 H HB3 . 18898 1 370 . 1 1 35 35 HIS HD2 H 1 7.759 0.008 . 1 . . . . 109 H HD2 . 18898 1 371 . 1 1 35 35 HIS HE1 H 1 7.335 0.009 . 1 . . . . 109 H HE1 . 18898 1 372 . 1 1 35 35 HIS C C 13 178.297 0.003 . 1 . . . . 109 H C . 18898 1 373 . 1 1 35 35 HIS CA C 13 59.269 0.072 . 1 . . . . 109 H CA . 18898 1 374 . 1 1 35 35 HIS CB C 13 31.439 0.05 . 1 . . . . 109 H CB . 18898 1 375 . 1 1 35 35 HIS N N 15 120.399 0.094 . 1 . . . . 109 H N . 18898 1 376 . 1 1 35 35 HIS ND1 N 15 169.952 0.049 . 1 . . . . 109 H ND1 . 18898 1 377 . 1 1 35 35 HIS NE2 N 15 222.995 0 . 1 . . . . 109 H NE2 . 18898 1 378 . 1 1 36 36 LEU H H 1 8.924 0.001 . 1 . . . . 110 L HN . 18898 1 379 . 1 1 36 36 LEU HA H 1 3.882 0.002 . 1 . . . . 110 L HA . 18898 1 380 . 1 1 36 36 LEU HB2 H 1 1.739 0.003 . 1 . . . . 110 L HB2 . 18898 1 381 . 1 1 36 36 LEU HB3 H 1 1.641 0.001 . 1 . . . . 110 L HB3 . 18898 1 382 . 1 1 36 36 LEU HG H 1 1.802 0.001 . 1 . . . . 110 L HG . 18898 1 383 . 1 1 36 36 LEU HD11 H 1 0.927 0 . 1 . . . . 110 L QD1 . 18898 1 384 . 1 1 36 36 LEU HD12 H 1 0.927 0 . 1 . . . . 110 L QD1 . 18898 1 385 . 1 1 36 36 LEU HD13 H 1 0.927 0 . 1 . . . . 110 L QD1 . 18898 1 386 . 1 1 36 36 LEU HD21 H 1 0.829 0 . 1 . . . . 110 L QD2 . 18898 1 387 . 1 1 36 36 LEU HD22 H 1 0.829 0 . 1 . . . . 110 L QD2 . 18898 1 388 . 1 1 36 36 LEU HD23 H 1 0.829 0 . 1 . . . . 110 L QD2 . 18898 1 389 . 1 1 36 36 LEU C C 13 180.956 0.033 . 1 . . . . 110 L C . 18898 1 390 . 1 1 36 36 LEU CA C 13 60.072 0.068 . 1 . . . . 110 L CA . 18898 1 391 . 1 1 36 36 LEU CB C 13 40.482 0.031 . 1 . . . . 110 L CB . 18898 1 392 . 1 1 36 36 LEU CG C 13 27.928 0.01 . 1 . . . . 110 L CG . 18898 1 393 . 1 1 36 36 LEU CD1 C 13 25.12 0.057 . 1 . . . . 110 L CD1 . 18898 1 394 . 1 1 36 36 LEU CD2 C 13 24.151 0.028 . 1 . . . . 110 L CD2 . 18898 1 395 . 1 1 36 36 LEU N N 15 124.629 0.067 . 1 . . . . 110 L N . 18898 1 396 . 1 1 37 37 LYS H H 1 8.586 0.002 . 1 . . . . 111 K HN . 18898 1 397 . 1 1 37 37 LYS HA H 1 3.996 0.002 . 1 . . . . 111 K HA . 18898 1 398 . 1 1 37 37 LYS HB2 H 1 1.852 0.008 . 1 . . . . 111 K HB2 . 18898 1 399 . 1 1 37 37 LYS HB3 H 1 1.831 0.005 . 1 . . . . 111 K HB3 . 18898 1 400 . 1 1 37 37 LYS HG2 H 1 1.607 0.002 . 1 . . . . 111 K HG2 . 18898 1 401 . 1 1 37 37 LYS HG3 H 1 1.356 0.002 . 1 . . . . 111 K HG3 . 18898 1 402 . 1 1 37 37 LYS HD2 H 1 1.687 0 . 1 . . . . 111 K HD2 . 18898 1 403 . 1 1 37 37 LYS HD3 H 1 1.585 0.004 . 1 . . . . 111 K HD3 . 18898 1 404 . 1 1 37 37 LYS HE2 H 1 2.753 0 . 1 . . . . 111 K HE2 . 18898 1 405 . 1 1 37 37 LYS HE3 H 1 2.625 0.001 . 1 . . . . 111 K HE3 . 18898 1 406 . 1 1 37 37 LYS C C 13 176.711 0.015 . 1 . . . . 111 K C . 18898 1 407 . 1 1 37 37 LYS CA C 13 57.937 0.063 . 1 . . . . 111 K CA . 18898 1 408 . 1 1 37 37 LYS CB C 13 31.709 0.037 . 1 . . . . 111 K CB . 18898 1 409 . 1 1 37 37 LYS CG C 13 25.241 0.033 . 1 . . . . 111 K CG . 18898 1 410 . 1 1 37 37 LYS CD C 13 29.347 0.117 . 1 . . . . 111 K CD . 18898 1 411 . 1 1 37 37 LYS CE C 13 41.813 0.075 . 1 . . . . 111 K CE . 18898 1 412 . 1 1 37 37 LYS N N 15 112.542 0.063 . 1 . . . . 111 K N . 18898 1 413 . 1 1 38 38 CYS H H 1 7.439 0.004 . 1 . . . . 112 C HN . 18898 1 414 . 1 1 38 38 CYS HA H 1 4.392 0.003 . 1 . . . . 112 C HA . 18898 1 415 . 1 1 38 38 CYS HB2 H 1 3.488 0.005 . 1 . . . . 112 C HB2 . 18898 1 416 . 1 1 38 38 CYS HB3 H 1 3.154 0.002 . 1 . . . . 112 C HB3 . 18898 1 417 . 1 1 38 38 CYS C C 13 173.923 0.038 . 1 . . . . 112 C C . 18898 1 418 . 1 1 38 38 CYS CA C 13 60.255 0.033 . 1 . . . . 112 C CA . 18898 1 419 . 1 1 38 38 CYS CB C 13 31.434 0.063 . 1 . . . . 112 C CB . 18898 1 420 . 1 1 38 38 CYS N N 15 117.897 0.065 . 1 . . . . 112 C N . 18898 1 421 . 1 1 39 39 PHE H H 1 7.467 0.002 . 1 . . . . 113 F HN . 18898 1 422 . 1 1 39 39 PHE HA H 1 4.081 0.005 . 1 . . . . 113 F HA . 18898 1 423 . 1 1 39 39 PHE HB2 H 1 3.39 0.001 . 1 . . . . 113 F HB2 . 18898 1 424 . 1 1 39 39 PHE HB3 H 1 2.347 0.004 . 1 . . . . 113 F HB3 . 18898 1 425 . 1 1 39 39 PHE HD1 H 1 6.57 0.011 . 3 . . . . 113 F QD . 18898 1 426 . 1 1 39 39 PHE HD2 H 1 6.57 0.011 . 3 . . . . 113 F QD . 18898 1 427 . 1 1 39 39 PHE HE1 H 1 6.214 0.005 . 3 . . . . 113 F QE . 18898 1 428 . 1 1 39 39 PHE HE2 H 1 6.214 0.005 . 3 . . . . 113 F QE . 18898 1 429 . 1 1 39 39 PHE HZ H 1 5.506 0.01 . 1 . . . . 113 F HZ . 18898 1 430 . 1 1 39 39 PHE C C 13 172.777 0.039 . 1 . . . . 113 F C . 18898 1 431 . 1 1 39 39 PHE CA C 13 57.131 0.109 . 1 . . . . 113 F CA . 18898 1 432 . 1 1 39 39 PHE CB C 13 36.809 0.137 . 1 . . . . 113 F CB . 18898 1 433 . 1 1 39 39 PHE N N 15 126.15 0.078 . 1 . . . . 113 F N . 18898 1 434 . 1 1 40 40 THR H H 1 6.895 0.004 . 1 . . . . 114 T HN . 18898 1 435 . 1 1 40 40 THR HA H 1 4.577 0.002 . 1 . . . . 114 T HA . 18898 1 436 . 1 1 40 40 THR HB H 1 3.432 0.002 . 1 . . . . 114 T HB . 18898 1 437 . 1 1 40 40 THR HG21 H 1 0.986 0 . 1 . . . . 114 T QG2 . 18898 1 438 . 1 1 40 40 THR HG22 H 1 0.986 0 . 1 . . . . 114 T QG2 . 18898 1 439 . 1 1 40 40 THR HG23 H 1 0.986 0 . 1 . . . . 114 T QG2 . 18898 1 440 . 1 1 40 40 THR C C 13 172.592 0.056 . 1 . . . . 114 T C . 18898 1 441 . 1 1 40 40 THR CA C 13 57.922 0.098 . 1 . . . . 114 T CA . 18898 1 442 . 1 1 40 40 THR CB C 13 72.187 0.026 . 1 . . . . 114 T CB . 18898 1 443 . 1 1 40 40 THR CG2 C 13 21.366 0 . 1 . . . . 114 T CG2 . 18898 1 444 . 1 1 40 40 THR N N 15 112.302 0.115 . 1 . . . . 114 T N . 18898 1 445 . 1 1 41 41 CYS H H 1 7.981 0.001 . 1 . . . . 115 C HN . 18898 1 446 . 1 1 41 41 CYS HA H 1 3.79 0.026 . 1 . . . . 115 C HA . 18898 1 447 . 1 1 41 41 CYS HB2 H 1 3.504 0.006 . 1 . . . . 115 C HB2 . 18898 1 448 . 1 1 41 41 CYS HB3 H 1 2.718 0.002 . 1 . . . . 115 C HB3 . 18898 1 449 . 1 1 41 41 CYS C C 13 177.309 0.008 . 1 . . . . 115 C C . 18898 1 450 . 1 1 41 41 CYS CA C 13 59.284 0.081 . 1 . . . . 115 C CA . 18898 1 451 . 1 1 41 41 CYS CB C 13 31.621 0.067 . 1 . . . . 115 C CB . 18898 1 452 . 1 1 41 41 CYS N N 15 121.388 0.063 . 1 . . . . 115 C N . 18898 1 453 . 1 1 42 42 SER H H 1 9.064 0.002 . 1 . . . . 116 S HN . 18898 1 454 . 1 1 42 42 SER HA H 1 4.066 0 . 1 . . . . 116 S HA . 18898 1 455 . 1 1 42 42 SER HB2 H 1 3.882 0.001 . 1 . . . . 116 S HB2 . 18898 1 456 . 1 1 42 42 SER HB3 H 1 3.715 0 . 1 . . . . 116 S HB3 . 18898 1 457 . 1 1 42 42 SER C C 13 174.522 0.075 . 1 . . . . 116 S C . 18898 1 458 . 1 1 42 42 SER CA C 13 61.507 0.118 . 1 . . . . 116 S CA . 18898 1 459 . 1 1 42 42 SER CB C 13 63.619 0.143 . 1 . . . . 116 S CB . 18898 1 460 . 1 1 42 42 SER N N 15 127.333 0.096 . 1 . . . . 116 S N . 18898 1 461 . 1 1 43 43 THR H H 1 8.939 0.002 . 1 . . . . 117 T HN . 18898 1 462 . 1 1 43 43 THR HA H 1 4.384 0.001 . 1 . . . . 117 T HA . 18898 1 463 . 1 1 43 43 THR HB H 1 4.147 0.001 . 1 . . . . 117 T HB . 18898 1 464 . 1 1 43 43 THR HG21 H 1 1.231 0.006 . 1 . . . . 117 T QG2 . 18898 1 465 . 1 1 43 43 THR HG22 H 1 1.231 0.006 . 1 . . . . 117 T QG2 . 18898 1 466 . 1 1 43 43 THR HG23 H 1 1.231 0.006 . 1 . . . . 117 T QG2 . 18898 1 467 . 1 1 43 43 THR C C 13 174.713 0 . 1 . . . . 117 T C . 18898 1 468 . 1 1 43 43 THR CA C 13 65.378 0.111 . 1 . . . . 117 T CA . 18898 1 469 . 1 1 43 43 THR CB C 13 69.656 0.094 . 1 . . . . 117 T CB . 18898 1 470 . 1 1 43 43 THR CG2 C 13 22.257 0.103 . 1 . . . . 117 T CG . 18898 1 471 . 1 1 43 43 THR N N 15 121.02 0.066 . 1 . . . . 117 T N . 18898 1 472 . 1 1 44 44 CYS H H 1 8.18 0.003 . 1 . . . . 118 C HN . 18898 1 473 . 1 1 44 44 CYS HA H 1 4.348 0.285 . 1 . . . . 118 C HA . 18898 1 474 . 1 1 44 44 CYS HB2 H 1 3.309 0.007 . 1 . . . . 118 C HB2 . 18898 1 475 . 1 1 44 44 CYS HB3 H 1 3.135 0.008 . 1 . . . . 118 C HB3 . 18898 1 476 . 1 1 44 44 CYS C C 13 176.041 0.016 . 1 . . . . 118 C C . 18898 1 477 . 1 1 44 44 CYS CA C 13 59.487 0.064 . 1 . . . . 118 C CA . 18898 1 478 . 1 1 44 44 CYS CB C 13 29.824 0.14 . 1 . . . . 118 C CB . 18898 1 479 . 1 1 44 44 CYS N N 15 120.215 0.063 . 1 . . . . 118 C N . 18898 1 480 . 1 1 45 45 ARG H H 1 7.545 0.002 . 1 . . . . 119 R HN . 18898 1 481 . 1 1 45 45 ARG HA H 1 4.111 0.004 . 1 . . . . 119 R HA . 18898 1 482 . 1 1 45 45 ARG HB2 H 1 2.185 0 . 4 . . . . 119 R HB2 . 18898 1 483 . 1 1 45 45 ARG HB3 H 1 2.021 0 . 4 . . . . 119 R HB3 . 18898 1 484 . 1 1 45 45 ARG HG2 H 1 2.182 0.001 . 4 . . . . 119 R HG2 . 18898 1 485 . 1 1 45 45 ARG HG3 H 1 2.031 0.002 . 4 . . . . 119 R HG3 . 18898 1 486 . 1 1 45 45 ARG HD2 H 1 3.166 0.003 . 1 . . . . 119 R HD2 . 18898 1 487 . 1 1 45 45 ARG HD3 H 1 3.089 0.002 . 1 . . . . 119 R HD3 . 18898 1 488 . 1 1 45 45 ARG HE H 1 7.062 0.004 . 1 . . . . 119 R HE . 18898 1 489 . 1 1 45 45 ARG C C 13 174.91 0.03 . 1 . . . . 119 R C . 18898 1 490 . 1 1 45 45 ARG CA C 13 57.573 0.072 . 1 . . . . 119 R CA . 18898 1 491 . 1 1 45 45 ARG CB C 13 26.358 0.049 . 4 . . . . 119 R CB . 18898 1 492 . 1 1 45 45 ARG CG C 13 26.319 0.023 . 4 . . . . 119 R CG . 18898 1 493 . 1 1 45 45 ARG CD C 13 42.641 0.089 . 1 . . . . 119 R CD . 18898 1 494 . 1 1 45 45 ARG N N 15 114.664 0.097 . 1 . . . . 119 R N . 18898 1 495 . 1 1 45 45 ARG NE N 15 84.907 0.023 . 1 . . . . 119 R NE . 18898 1 496 . 1 1 46 46 ASN H H 1 8.232 0.004 . 1 . . . . 120 N HN . 18898 1 497 . 1 1 46 46 ASN HA H 1 4.752 0.004 . 1 . . . . 120 N HA . 18898 1 498 . 1 1 46 46 ASN HB2 H 1 2.641 0.002 . 1 . . . . 120 N HB2 . 18898 1 499 . 1 1 46 46 ASN HB3 H 1 3.066 0.003 . 1 . . . . 120 N HB3 . 18898 1 500 . 1 1 46 46 ASN HD21 H 1 7.551 0.002 . 1 . . . . 120 N HD21 . 18898 1 501 . 1 1 46 46 ASN HD22 H 1 6.902 0 . 1 . . . . 120 N HD22 . 18898 1 502 . 1 1 46 46 ASN C C 13 175.95 0.016 . 1 . . . . 120 N C . 18898 1 503 . 1 1 46 46 ASN CA C 13 53.504 0.077 . 1 . . . . 120 N CA . 18898 1 504 . 1 1 46 46 ASN CB C 13 39.298 0.173 . 1 . . . . 120 N CB . 18898 1 505 . 1 1 46 46 ASN N N 15 118.962 0.126 . 1 . . . . 120 N N . 18898 1 506 . 1 1 46 46 ASN ND2 N 15 113.333 0.023 . 1 . . . . 120 N ND2 . 18898 1 507 . 1 1 47 47 ARG H H 1 8.603 0.002 . 1 . . . . 121 R HN . 18898 1 508 . 1 1 47 47 ARG HA H 1 3.985 0.004 . 1 . . . . 121 R HA . 18898 1 509 . 1 1 47 47 ARG HB2 H 1 1.721 0.005 . 1 . . . . 121 R QB . 18898 1 510 . 1 1 47 47 ARG HB3 H 1 1.721 0.005 . 1 . . . . 121 R QB . 18898 1 511 . 1 1 47 47 ARG HG2 H 1 1.735 0.001 . 1 . . . . 121 R HG2 . 18898 1 512 . 1 1 47 47 ARG HG3 H 1 1.551 0.003 . 1 . . . . 121 R HG3 . 18898 1 513 . 1 1 47 47 ARG HD2 H 1 3.138 0.003 . 1 . . . . 121 R QD . 18898 1 514 . 1 1 47 47 ARG HD3 H 1 3.138 0.003 . 1 . . . . 121 R QD . 18898 1 515 . 1 1 47 47 ARG HE H 1 7.26 0 . 1 . . . . 121 R HE . 18898 1 516 . 1 1 47 47 ARG C C 13 175.638 0.02 . 1 . . . . 121 R C . 18898 1 517 . 1 1 47 47 ARG CA C 13 57.184 0.176 . 1 . . . . 121 R CA . 18898 1 518 . 1 1 47 47 ARG CB C 13 30.567 0.102 . 1 . . . . 121 R CB . 18898 1 519 . 1 1 47 47 ARG CG C 13 27.715 0.102 . 1 . . . . 121 R CG . 18898 1 520 . 1 1 47 47 ARG CD C 13 43.444 0.059 . 1 . . . . 121 R CD . 18898 1 521 . 1 1 47 47 ARG N N 15 122.104 0.1 . 1 . . . . 121 R N . 18898 1 522 . 1 1 47 47 ARG NE N 15 84.725 0 . 1 . . . . 121 R NE . 18898 1 523 . 1 1 48 48 LEU H H 1 8.094 0.002 . 1 . . . . 122 L HN . 18898 1 524 . 1 1 48 48 LEU HA H 1 4.529 0.002 . 1 . . . . 122 L HA . 18898 1 525 . 1 1 48 48 LEU HB2 H 1 1.524 0.002 . 1 . . . . 122 L HB2 . 18898 1 526 . 1 1 48 48 LEU HB3 H 1 0.704 0.001 . 1 . . . . 122 L HB3 . 18898 1 527 . 1 1 48 48 LEU HG H 1 1.172 0.006 . 1 . . . . 122 L HG . 18898 1 528 . 1 1 48 48 LEU HD11 H 1 -0.269 0.004 . 1 . . . . 122 L QD1 . 18898 1 529 . 1 1 48 48 LEU HD12 H 1 -0.269 0.004 . 1 . . . . 122 L QD1 . 18898 1 530 . 1 1 48 48 LEU HD13 H 1 -0.269 0.004 . 1 . . . . 122 L QD1 . 18898 1 531 . 1 1 48 48 LEU HD21 H 1 0.723 0.008 . 1 . . . . 122 L QD2 . 18898 1 532 . 1 1 48 48 LEU HD22 H 1 0.723 0.008 . 1 . . . . 122 L QD2 . 18898 1 533 . 1 1 48 48 LEU HD23 H 1 0.723 0.008 . 1 . . . . 122 L QD2 . 18898 1 534 . 1 1 48 48 LEU C C 13 175.345 0.064 . 1 . . . . 122 L C . 18898 1 535 . 1 1 48 48 LEU CA C 13 53.827 0.069 . 1 . . . . 122 L CA . 18898 1 536 . 1 1 48 48 LEU CB C 13 41.572 0.105 . 1 . . . . 122 L CB . 18898 1 537 . 1 1 48 48 LEU CG C 13 26.776 0.159 . 1 . . . . 122 L CG . 18898 1 538 . 1 1 48 48 LEU CD1 C 13 25.577 0.073 . 1 . . . . 122 L CD1 . 18898 1 539 . 1 1 48 48 LEU CD2 C 13 23.627 0.078 . 1 . . . . 122 L CD2 . 18898 1 540 . 1 1 48 48 LEU N N 15 127.225 0.073 . 1 . . . . 122 L N . 18898 1 541 . 1 1 49 49 VAL H H 1 8.416 0.003 . 1 . . . . 123 V HN . 18898 1 542 . 1 1 49 49 VAL HA H 1 4.475 0.002 . 1 . . . . 123 V HA . 18898 1 543 . 1 1 49 49 VAL HB H 1 2.223 0.001 . 1 . . . . 123 V HB . 18898 1 544 . 1 1 49 49 VAL HG11 H 1 0.871 0 . 1 . . . . 123 V QG1 . 18898 1 545 . 1 1 49 49 VAL HG12 H 1 0.871 0 . 1 . . . . 123 V QG1 . 18898 1 546 . 1 1 49 49 VAL HG13 H 1 0.871 0 . 1 . . . . 123 V QG1 . 18898 1 547 . 1 1 49 49 VAL HG21 H 1 0.864 0.002 . 1 . . . . 123 V QG2 . 18898 1 548 . 1 1 49 49 VAL HG22 H 1 0.864 0.002 . 1 . . . . 123 V QG2 . 18898 1 549 . 1 1 49 49 VAL HG23 H 1 0.864 0.002 . 1 . . . . 123 V QG2 . 18898 1 550 . 1 1 49 49 VAL C C 13 173.19 0 . 1 . . . . 123 V C . 18898 1 551 . 1 1 49 49 VAL CA C 13 59.031 0.057 . 1 . . . . 123 V CA . 18898 1 552 . 1 1 49 49 VAL CB C 13 31.454 0.048 . 1 . . . . 123 V CB . 18898 1 553 . 1 1 49 49 VAL CG1 C 13 20.92 0.016 . 1 . . . . 123 V CG1 . 18898 1 554 . 1 1 49 49 VAL CG2 C 13 19.404 0.049 . 1 . . . . 123 V CG2 . 18898 1 555 . 1 1 49 49 VAL N N 15 121.03 0.064 . 1 . . . . 123 V N . 18898 1 556 . 1 1 50 50 PRO HA H 1 3.64 0.006 . 1 . . . . 124 P HA . 18898 1 557 . 1 1 50 50 PRO HB2 H 1 1.317 0.007 . 1 . . . . 124 P HB2 . 18898 1 558 . 1 1 50 50 PRO HB3 H 1 1.155 0.01 . 1 . . . . 124 P HB3 . 18898 1 559 . 1 1 50 50 PRO HG2 H 1 2.066 0.007 . 1 . . . . 124 P HG2 . 18898 1 560 . 1 1 50 50 PRO HG3 H 1 2.031 0.001 . 1 . . . . 124 P HG3 . 18898 1 561 . 1 1 50 50 PRO HD2 H 1 3.765 0.001 . 1 . . . . 124 P HD2 . 18898 1 562 . 1 1 50 50 PRO HD3 H 1 3.553 0 . 1 . . . . 124 P HD3 . 18898 1 563 . 1 1 50 50 PRO C C 13 177.425 0.005 . 1 . . . . 124 P C . 18898 1 564 . 1 1 50 50 PRO CA C 13 64.032 0.032 . 1 . . . . 124 P CA . 18898 1 565 . 1 1 50 50 PRO CB C 13 31.235 0.047 . 1 . . . . 124 P CB . 18898 1 566 . 1 1 50 50 PRO CG C 13 28.349 0.122 . 1 . . . . 124 P CG . 18898 1 567 . 1 1 50 50 PRO CD C 13 50.558 0.078 . 1 . . . . 124 P CD . 18898 1 568 . 1 1 51 51 GLY H H 1 8.574 0.002 . 1 . . . . 125 G HN . 18898 1 569 . 1 1 51 51 GLY HA2 H 1 3.425 0.01 . 1 . . . . 125 G HA1 . 18898 1 570 . 1 1 51 51 GLY HA3 H 1 4.424 0.001 . 1 . . . . 125 G HA2 . 18898 1 571 . 1 1 51 51 GLY C C 13 174.384 0.043 . 1 . . . . 125 G C . 18898 1 572 . 1 1 51 51 GLY CA C 13 45.103 0.091 . 1 . . . . 125 G CA . 18898 1 573 . 1 1 51 51 GLY N N 15 113.12 0.097 . 1 . . . . 125 G N . 18898 1 574 . 1 1 52 52 ASP H H 1 8.476 0.002 . 1 . . . . 126 D HN . 18898 1 575 . 1 1 52 52 ASP HA H 1 4.723 0.006 . 1 . . . . 126 D HA . 18898 1 576 . 1 1 52 52 ASP HB2 H 1 2.96 0.005 . 1 . . . . 126 D HB2 . 18898 1 577 . 1 1 52 52 ASP HB3 H 1 2.655 0.007 . 1 . . . . 126 D HB3 . 18898 1 578 . 1 1 52 52 ASP C C 13 176.558 0.018 . 1 . . . . 126 D C . 18898 1 579 . 1 1 52 52 ASP CA C 13 54.324 0.144 . 1 . . . . 126 D CA . 18898 1 580 . 1 1 52 52 ASP CB C 13 41.602 0.107 . 1 . . . . 126 D CB . 18898 1 581 . 1 1 52 52 ASP N N 15 122.488 0.096 . 1 . . . . 126 D N . 18898 1 582 . 1 1 53 53 ARG H H 1 8.697 0.001 . 1 . . . . 127 R HN . 18898 1 583 . 1 1 53 53 ARG HA H 1 5.047 0.002 . 1 . . . . 127 R HA . 18898 1 584 . 1 1 53 53 ARG HB2 H 1 1.675 0.004 . 1 . . . . 127 R QB . 18898 1 585 . 1 1 53 53 ARG HB3 H 1 1.675 0.004 . 1 . . . . 127 R QB . 18898 1 586 . 1 1 53 53 ARG HG2 H 1 1.612 0.001 . 1 . . . . 127 R HG2 . 18898 1 587 . 1 1 53 53 ARG HG3 H 1 1.435 0.005 . 1 . . . . 127 R HG3 . 18898 1 588 . 1 1 53 53 ARG HD2 H 1 3.179 0.005 . 1 . . . . 127 R HD2 . 18898 1 589 . 1 1 53 53 ARG HD3 H 1 3.087 0.002 . 1 . . . . 127 R HD3 . 18898 1 590 . 1 1 53 53 ARG HE H 1 7.336 0 . 1 . . . . 127 R HE . 18898 1 591 . 1 1 53 53 ARG C C 13 175.671 0.029 . 1 . . . . 127 R C . 18898 1 592 . 1 1 53 53 ARG CA C 13 55.559 0.129 . 1 . . . . 127 R CA . 18898 1 593 . 1 1 53 53 ARG CB C 13 30.862 0.081 . 1 . . . . 127 R CB . 18898 1 594 . 1 1 53 53 ARG CG C 13 27.508 0.074 . 1 . . . . 127 R CG . 18898 1 595 . 1 1 53 53 ARG CD C 13 42.805 0.077 . 1 . . . . 127 R CD . 18898 1 596 . 1 1 53 53 ARG N N 15 122.074 0.082 . 1 . . . . 127 R N . 18898 1 597 . 1 1 53 53 ARG NE N 15 84.377 0 . 1 . . . . 127 R NE . 18898 1 598 . 1 1 54 54 PHE H H 1 8.869 0.004 . 1 . . . . 128 F HN . 18898 1 599 . 1 1 54 54 PHE HA H 1 5.194 0.004 . 1 . . . . 128 F HA . 18898 1 600 . 1 1 54 54 PHE HB2 H 1 2.818 0.007 . 1 . . . . 128 F HB2 . 18898 1 601 . 1 1 54 54 PHE HB3 H 1 2.947 0.001 . 1 . . . . 128 F HB3 . 18898 1 602 . 1 1 54 54 PHE HD1 H 1 6.999 0.005 . 3 . . . . 128 F QD . 18898 1 603 . 1 1 54 54 PHE HD2 H 1 6.999 0.005 . 3 . . . . 128 F QD . 18898 1 604 . 1 1 54 54 PHE HE1 H 1 6.948 0.005 . 3 . . . . 128 F QE . 18898 1 605 . 1 1 54 54 PHE HE2 H 1 6.948 0.005 . 3 . . . . 128 F QE . 18898 1 606 . 1 1 54 54 PHE HZ H 1 7.295 0.003 . 1 . . . . 128 F HZ . 18898 1 607 . 1 1 54 54 PHE C C 13 171.304 0.065 . 1 . . . . 128 F C . 18898 1 608 . 1 1 54 54 PHE CA C 13 55.427 0.094 . 1 . . . . 128 F CA . 18898 1 609 . 1 1 54 54 PHE CB C 13 43.513 0.114 . 1 . . . . 128 F CB . 18898 1 610 . 1 1 54 54 PHE N N 15 120.179 0.074 . 1 . . . . 128 F N . 18898 1 611 . 1 1 55 55 HIS H H 1 9.292 0.002 . 1 . . . . 129 H HN . 18898 1 612 . 1 1 55 55 HIS HA H 1 4.681 0.008 . 1 . . . . 129 H HA . 18898 1 613 . 1 1 55 55 HIS HB2 H 1 2.959 0.004 . 1 . . . . 129 H HB2 . 18898 1 614 . 1 1 55 55 HIS HB3 H 1 2.783 0.004 . 1 . . . . 129 H HB3 . 18898 1 615 . 1 1 55 55 HIS HD2 H 1 6.525 0.003 . 1 . . . . 129 H HD2 . 18898 1 616 . 1 1 55 55 HIS HE1 H 1 7.505 0.002 . 1 . . . . 129 H HE1 . 18898 1 617 . 1 1 55 55 HIS C C 13 173.764 0.029 . 1 . . . . 129 H C . 18898 1 618 . 1 1 55 55 HIS CA C 13 54.81 0.081 . 1 . . . . 129 H CA . 18898 1 619 . 1 1 55 55 HIS CB C 13 34.983 0.045 . 1 . . . . 129 H CB . 18898 1 620 . 1 1 55 55 HIS N N 15 118.586 0.096 . 1 . . . . 129 H N . 18898 1 621 . 1 1 56 56 TYR H H 1 8.865 0.003 . 1 . . . . 130 Y HN . 18898 1 622 . 1 1 56 56 TYR HA H 1 5.719 0.007 . 1 . . . . 130 Y HA . 18898 1 623 . 1 1 56 56 TYR HB2 H 1 3.119 0.003 . 1 . . . . 130 Y HB2 . 18898 1 624 . 1 1 56 56 TYR HB3 H 1 2.779 0.004 . 1 . . . . 130 Y HB3 . 18898 1 625 . 1 1 56 56 TYR HD1 H 1 7.021 0.004 . 3 . . . . 130 Y QD . 18898 1 626 . 1 1 56 56 TYR HD2 H 1 7.021 0.004 . 3 . . . . 130 Y QD . 18898 1 627 . 1 1 56 56 TYR HE1 H 1 6.789 0.002 . 3 . . . . 130 Y QE . 18898 1 628 . 1 1 56 56 TYR HE2 H 1 6.789 0.002 . 3 . . . . 130 Y QE . 18898 1 629 . 1 1 56 56 TYR C C 13 174.625 0.031 . 1 . . . . 130 Y C . 18898 1 630 . 1 1 56 56 TYR CA C 13 56.182 0.121 . 1 . . . . 130 Y CA . 18898 1 631 . 1 1 56 56 TYR CB C 13 40.279 0.052 . 1 . . . . 130 Y CB . 18898 1 632 . 1 1 56 56 TYR N N 15 125.995 0.075 . 1 . . . . 130 Y N . 18898 1 633 . 1 1 57 57 ILE H H 1 8.889 0.002 . 1 . . . . 131 I HN . 18898 1 634 . 1 1 57 57 ILE HA H 1 4.323 0.001 . 1 . . . . 131 I HA . 18898 1 635 . 1 1 57 57 ILE HB H 1 1.848 0.001 . 1 . . . . 131 I HB . 18898 1 636 . 1 1 57 57 ILE HG12 H 1 1.469 0.001 . 1 . . . . 131 I HG12 . 18898 1 637 . 1 1 57 57 ILE HG13 H 1 1.195 0.002 . 1 . . . . 131 I HG13 . 18898 1 638 . 1 1 57 57 ILE HG21 H 1 0.842 0.002 . 1 . . . . 131 I QG2 . 18898 1 639 . 1 1 57 57 ILE HG22 H 1 0.842 0.002 . 1 . . . . 131 I QG2 . 18898 1 640 . 1 1 57 57 ILE HG23 H 1 0.842 0.002 . 1 . . . . 131 I QG2 . 18898 1 641 . 1 1 57 57 ILE HD11 H 1 0.769 0 . 1 . . . . 131 I QD1 . 18898 1 642 . 1 1 57 57 ILE HD12 H 1 0.769 0 . 1 . . . . 131 I QD1 . 18898 1 643 . 1 1 57 57 ILE HD13 H 1 0.769 0 . 1 . . . . 131 I QD1 . 18898 1 644 . 1 1 57 57 ILE C C 13 175.516 0.021 . 1 . . . . 131 I C . 18898 1 645 . 1 1 57 57 ILE CA C 13 59.727 0.08 . 1 . . . . 131 I CA . 18898 1 646 . 1 1 57 57 ILE CB C 13 41.17 0.055 . 1 . . . . 131 I CB . 18898 1 647 . 1 1 57 57 ILE CG1 C 13 27.375 0.036 . 1 . . . . 131 I CG1 . 18898 1 648 . 1 1 57 57 ILE CG2 C 13 17.2 0.088 . 1 . . . . 131 I CG2 . 18898 1 649 . 1 1 57 57 ILE CD1 C 13 13.645 0.197 . 1 . . . . 131 I CD1 . 18898 1 650 . 1 1 57 57 ILE N N 15 126.61 0.055 . 1 . . . . 131 I N . 18898 1 651 . 1 1 58 58 ASN H H 1 9.375 0.002 . 1 . . . . 132 N HN . 18898 1 652 . 1 1 58 58 ASN HA H 1 4.361 0.006 . 1 . . . . 132 N HA . 18898 1 653 . 1 1 58 58 ASN HB2 H 1 3.146 0.01 . 1 . . . . 132 N HB2 . 18898 1 654 . 1 1 58 58 ASN HB3 H 1 2.786 0.005 . 1 . . . . 132 N HB3 . 18898 1 655 . 1 1 58 58 ASN HD21 H 1 7.632 0.001 . 1 . . . . 132 N HD21 . 18898 1 656 . 1 1 58 58 ASN HD22 H 1 6.888 0.003 . 1 . . . . 132 N HD22 . 18898 1 657 . 1 1 58 58 ASN C C 13 175.421 0.023 . 1 . . . . 132 N C . 18898 1 658 . 1 1 58 58 ASN CA C 13 53.933 0.171 . 1 . . . . 132 N CA . 18898 1 659 . 1 1 58 58 ASN CB C 13 37.34 0.238 . 1 . . . . 132 N CB . 18898 1 660 . 1 1 58 58 ASN N N 15 126.614 0.068 . 1 . . . . 132 N N . 18898 1 661 . 1 1 58 58 ASN ND2 N 15 112.276 0.185 . 1 . . . . 132 N ND2 . 18898 1 662 . 1 1 59 59 GLY H H 1 7.417 0.003 . 1 . . . . 133 G HN . 18898 1 663 . 1 1 59 59 GLY HA2 H 1 3.544 0.006 . 1 . . . . 133 G HA1 . 18898 1 664 . 1 1 59 59 GLY HA3 H 1 4.201 0.005 . 1 . . . . 133 G HA2 . 18898 1 665 . 1 1 59 59 GLY C C 13 173.969 0.026 . 1 . . . . 133 G C . 18898 1 666 . 1 1 59 59 GLY CA C 13 45.395 0.054 . 1 . . . . 133 G CA . 18898 1 667 . 1 1 59 59 GLY N N 15 102.667 0.07 . 1 . . . . 133 G N . 18898 1 668 . 1 1 60 60 SER H H 1 7.639 0.003 . 1 . . . . 134 S HN . 18898 1 669 . 1 1 60 60 SER HA H 1 4.743 0.007 . 1 . . . . 134 S HA . 18898 1 670 . 1 1 60 60 SER HB2 H 1 3.726 0.004 . 1 . . . . 134 S HB2 . 18898 1 671 . 1 1 60 60 SER HB3 H 1 3.424 0.008 . 1 . . . . 134 S HB3 . 18898 1 672 . 1 1 60 60 SER C C 13 170.825 0.071 . 1 . . . . 134 S C . 18898 1 673 . 1 1 60 60 SER CA C 13 57.754 0.089 . 1 . . . . 134 S CA . 18898 1 674 . 1 1 60 60 SER CB C 13 66.06 0.106 . 1 . . . . 134 S CB . 18898 1 675 . 1 1 60 60 SER N N 15 117.123 0.084 . 1 . . . . 134 S N . 18898 1 676 . 1 1 61 61 LEU H H 1 8.236 0.003 . 1 . . . . 135 L HN . 18898 1 677 . 1 1 61 61 LEU HA H 1 5.214 0.001 . 1 . . . . 135 L HA . 18898 1 678 . 1 1 61 61 LEU HB2 H 1 1.784 0.003 . 1 . . . . 135 L HB2 . 18898 1 679 . 1 1 61 61 LEU HB3 H 1 0.702 0.004 . 1 . . . . 135 L HB3 . 18898 1 680 . 1 1 61 61 LEU HG H 1 1.546 0.006 . 1 . . . . 135 L HG . 18898 1 681 . 1 1 61 61 LEU HD11 H 1 0.016 0.001 . 1 . . . . 135 L QD1 . 18898 1 682 . 1 1 61 61 LEU HD12 H 1 0.016 0.001 . 1 . . . . 135 L QD1 . 18898 1 683 . 1 1 61 61 LEU HD13 H 1 0.016 0.001 . 1 . . . . 135 L QD1 . 18898 1 684 . 1 1 61 61 LEU HD21 H 1 0.568 0.002 . 1 . . . . 135 L QD2 . 18898 1 685 . 1 1 61 61 LEU HD22 H 1 0.568 0.002 . 1 . . . . 135 L QD2 . 18898 1 686 . 1 1 61 61 LEU HD23 H 1 0.568 0.002 . 1 . . . . 135 L QD2 . 18898 1 687 . 1 1 61 61 LEU C C 13 177.735 0.007 . 1 . . . . 135 L C . 18898 1 688 . 1 1 61 61 LEU CA C 13 53.429 0.06 . 1 . . . . 135 L CA . 18898 1 689 . 1 1 61 61 LEU CB C 13 44.685 0.058 . 1 . . . . 135 L CB . 18898 1 690 . 1 1 61 61 LEU CG C 13 26.731 0.11 . 1 . . . . 135 L CG . 18898 1 691 . 1 1 61 61 LEU CD1 C 13 25.756 0.043 . 1 . . . . 135 L CD1 . 18898 1 692 . 1 1 61 61 LEU CD2 C 13 24.583 0.068 . 1 . . . . 135 L CD2 . 18898 1 693 . 1 1 61 61 LEU N N 15 122.242 0.06 . 1 . . . . 135 L N . 18898 1 694 . 1 1 62 62 PHE H H 1 9.221 0.003 . 1 . . . . 136 F HN . 18898 1 695 . 1 1 62 62 PHE HA H 1 5.99 0.014 . 1 . . . . 136 F HA . 18898 1 696 . 1 1 62 62 PHE HB2 H 1 3.258 0.017 . 1 . . . . 136 F HB2 . 18898 1 697 . 1 1 62 62 PHE HB3 H 1 2.596 0.003 . 1 . . . . 136 F HB3 . 18898 1 698 . 1 1 62 62 PHE HD1 H 1 7.089 0.007 . 3 . . . . 136 F QD . 18898 1 699 . 1 1 62 62 PHE HD2 H 1 7.089 0.007 . 3 . . . . 136 F QD . 18898 1 700 . 1 1 62 62 PHE HE1 H 1 7.256 0.003 . 3 . . . . 136 F QE . 18898 1 701 . 1 1 62 62 PHE HE2 H 1 7.256 0.003 . 3 . . . . 136 F QE . 18898 1 702 . 1 1 62 62 PHE HZ H 1 7.22 0.001 . 1 . . . . 136 F HZ . 18898 1 703 . 1 1 62 62 PHE C C 13 175.971 0.03 . 1 . . . . 136 F C . 18898 1 704 . 1 1 62 62 PHE CA C 13 56.904 0.071 . 1 . . . . 136 F CA . 18898 1 705 . 1 1 62 62 PHE CB C 13 44.329 0.07 . 1 . . . . 136 F CB . 18898 1 706 . 1 1 62 62 PHE N N 15 118.689 0.063 . 1 . . . . 136 F N . 18898 1 707 . 1 1 63 63 CYS H H 1 9.716 0.002 . 1 . . . . 137 C HN . 18898 1 708 . 1 1 63 63 CYS HA H 1 4.966 0.003 . 1 . . . . 137 C HA . 18898 1 709 . 1 1 63 63 CYS HB2 H 1 3.663 0.001 . 1 . . . . 137 C HB2 . 18898 1 710 . 1 1 63 63 CYS HB3 H 1 2.987 0.006 . 1 . . . . 137 C HB3 . 18898 1 711 . 1 1 63 63 CYS C C 13 175.03 0.019 . 1 . . . . 137 C C . 18898 1 712 . 1 1 63 63 CYS CA C 13 57.553 0.057 . 1 . . . . 137 C CA . 18898 1 713 . 1 1 63 63 CYS CB C 13 30.225 0.045 . 1 . . . . 137 C CB . 18898 1 714 . 1 1 63 63 CYS N N 15 121.328 0.087 . 1 . . . . 137 C N . 18898 1 715 . 1 1 64 64 GLU H H 1 8.476 0.003 . 1 . . . . 138 E HN . 18898 1 716 . 1 1 64 64 GLU HA H 1 4.143 0.008 . 1 . . . . 138 E HA . 18898 1 717 . 1 1 64 64 GLU HB2 H 1 2.157 0.005 . 1 . . . . 138 E HB2 . 18898 1 718 . 1 1 64 64 GLU HB3 H 1 1.909 0.001 . 1 . . . . 138 E HB3 . 18898 1 719 . 1 1 64 64 GLU HG2 H 1 2.28 0.001 . 1 . . . . 138 E HG2 . 18898 1 720 . 1 1 64 64 GLU HG3 H 1 2.156 0.001 . 1 . . . . 138 E HG3 . 18898 1 721 . 1 1 64 64 GLU C C 13 178.535 0.003 . 1 . . . . 138 E C . 18898 1 722 . 1 1 64 64 GLU CA C 13 59.569 0.063 . 1 . . . . 138 E CA . 18898 1 723 . 1 1 64 64 GLU CB C 13 29.895 0.108 . 1 . . . . 138 E CB . 18898 1 724 . 1 1 64 64 GLU CG C 13 35.239 0.06 . 1 . . . . 138 E CG . 18898 1 725 . 1 1 64 64 GLU N N 15 118.055 0.084 . 1 . . . . 138 E N . 18898 1 726 . 1 1 65 65 HIS H H 1 8.365 0.005 . 1 . . . . 139 H HN . 18898 1 727 . 1 1 65 65 HIS HA H 1 4.43 0.002 . 1 . . . . 139 H HA . 18898 1 728 . 1 1 65 65 HIS HB2 H 1 3.294 0.004 . 1 . . . . 139 H QB . 18898 1 729 . 1 1 65 65 HIS HB3 H 1 3.294 0.004 . 1 . . . . 139 H QB . 18898 1 730 . 1 1 65 65 HIS HD2 H 1 7.285 0.008 . 1 . . . . 139 H HD2 . 18898 1 731 . 1 1 65 65 HIS HE1 H 1 8.389 0.002 . 1 . . . . 139 H HE1 . 18898 1 732 . 1 1 65 65 HIS C C 13 175.584 0.019 . 1 . . . . 139 H C . 18898 1 733 . 1 1 65 65 HIS CA C 13 58.13 0.089 . 1 . . . . 139 H CA . 18898 1 734 . 1 1 65 65 HIS CB C 13 28.946 0.07 . 1 . . . . 139 H CB . 18898 1 735 . 1 1 65 65 HIS N N 15 117.19 0.106 . 1 . . . . 139 H N . 18898 1 736 . 1 1 65 65 HIS ND1 N 15 174.788 0 . 1 . . . . 139 H ND1 . 18898 1 737 . 1 1 66 66 ASP H H 1 8.082 0.002 . 1 . . . . 140 D HN . 18898 1 738 . 1 1 66 66 ASP HA H 1 4.956 0.008 . 1 . . . . 140 D HA . 18898 1 739 . 1 1 66 66 ASP HB2 H 1 3.161 0.005 . 1 . . . . 140 D HB2 . 18898 1 740 . 1 1 66 66 ASP HB3 H 1 3.082 0 . 1 . . . . 140 D HB3 . 18898 1 741 . 1 1 66 66 ASP C C 13 174.258 0.031 . 1 . . . . 140 D C . 18898 1 742 . 1 1 66 66 ASP CA C 13 54.319 0.056 . 1 . . . . 140 D CA . 18898 1 743 . 1 1 66 66 ASP CB C 13 42.317 0.027 . 1 . . . . 140 D CB . 18898 1 744 . 1 1 66 66 ASP N N 15 118.373 0.071 . 1 . . . . 140 D N . 18898 1 745 . 1 1 67 67 ARG H H 1 7.12 0.003 . 1 . . . . 141 R HN . 18898 1 746 . 1 1 67 67 ARG HA H 1 3.616 0.003 . 1 . . . . 141 R HA . 18898 1 747 . 1 1 67 67 ARG HB2 H 1 1.438 0.001 . 1 . . . . 141 R HB2 . 18898 1 748 . 1 1 67 67 ARG HB3 H 1 1.281 0.002 . 1 . . . . 141 R HB3 . 18898 1 749 . 1 1 67 67 ARG HG2 H 1 1.219 0.008 . 1 . . . . 141 R HG2 . 18898 1 750 . 1 1 67 67 ARG HG3 H 1 0.67 0.002 . 1 . . . . 141 R HG3 . 18898 1 751 . 1 1 67 67 ARG HD2 H 1 2.624 0.002 . 1 . . . . 141 R HD2 . 18898 1 752 . 1 1 67 67 ARG HD3 H 1 2.518 0.002 . 1 . . . . 141 R HD3 . 18898 1 753 . 1 1 67 67 ARG HE H 1 6.881 0 . 1 . . . . 141 R HE . 18898 1 754 . 1 1 67 67 ARG C C 13 173.939 0 . 1 . . . . 141 R C . 18898 1 755 . 1 1 67 67 ARG CA C 13 54.722 0.03 . 1 . . . . 141 R CA . 18898 1 756 . 1 1 67 67 ARG CB C 13 29.423 0.017 . 1 . . . . 141 R CB . 18898 1 757 . 1 1 67 67 ARG CG C 13 25.701 0.036 . 1 . . . . 141 R CG . 18898 1 758 . 1 1 67 67 ARG CD C 13 43.259 0.041 . 1 . . . . 141 R CD . 18898 1 759 . 1 1 67 67 ARG N N 15 121.88 0.06 . 1 . . . . 141 R N . 18898 1 760 . 1 1 67 67 ARG NE N 15 84.759 0 . 1 . . . . 141 R NE . 18898 1 761 . 1 1 68 68 PRO HA H 1 4.25 0.005 . 1 . . . . 142 P HA . 18898 1 762 . 1 1 68 68 PRO HB2 H 1 1.808 0.002 . 1 . . . . 142 P HB2 . 18898 1 763 . 1 1 68 68 PRO HB3 H 1 1.642 0.001 . 1 . . . . 142 P HB3 . 18898 1 764 . 1 1 68 68 PRO HG2 H 1 1.447 0.006 . 1 . . . . 142 P HG2 . 18898 1 765 . 1 1 68 68 PRO HG3 H 1 1.154 0.004 . 1 . . . . 142 P HG3 . 18898 1 766 . 1 1 68 68 PRO HD2 H 1 2.63 0.002 . 1 . . . . 142 P HD2 . 18898 1 767 . 1 1 68 68 PRO HD3 H 1 2.544 0.005 . 1 . . . . 142 P HD3 . 18898 1 768 . 1 1 68 68 PRO C C 13 176.688 0.011 . 1 . . . . 142 P C . 18898 1 769 . 1 1 68 68 PRO CA C 13 62.699 0.04 . 1 . . . . 142 P CA . 18898 1 770 . 1 1 68 68 PRO CB C 13 31.249 0.03 . 1 . . . . 142 P CB . 18898 1 771 . 1 1 68 68 PRO CG C 13 27.476 0.034 . 1 . . . . 142 P CG . 18898 1 772 . 1 1 68 68 PRO CD C 13 50 0.071 . 1 . . . . 142 P CD . 18898 1 773 . 1 1 69 69 THR H H 1 8.015 0.002 . 1 . . . . 143 T HN . 18898 1 774 . 1 1 69 69 THR HA H 1 3.924 0.005 . 1 . . . . 143 T HA . 18898 1 775 . 1 1 69 69 THR HB H 1 4.109 0.004 . 1 . . . . 143 T HB . 18898 1 776 . 1 1 69 69 THR HG21 H 1 1.137 0.003 . 1 . . . . 143 T QG2 . 18898 1 777 . 1 1 69 69 THR HG22 H 1 1.137 0.003 . 1 . . . . 143 T QG2 . 18898 1 778 . 1 1 69 69 THR HG23 H 1 1.137 0.003 . 1 . . . . 143 T QG2 . 18898 1 779 . 1 1 69 69 THR C C 13 174.89 0.042 . 1 . . . . 143 T C . 18898 1 780 . 1 1 69 69 THR CA C 13 63.099 0.092 . 1 . . . . 143 T CA . 18898 1 781 . 1 1 69 69 THR CB C 13 69.197 0.107 . 1 . . . . 143 T CB . 18898 1 782 . 1 1 69 69 THR CG2 C 13 21.794 0.195 . 1 . . . . 143 T CG2 . 18898 1 783 . 1 1 69 69 THR N N 15 115.472 0.101 . 1 . . . . 143 T N . 18898 1 784 . 1 1 70 70 ALA H H 1 8.13 0.002 . 1 . . . . 144 A HN . 18898 1 785 . 1 1 70 70 ALA HA H 1 4.2 0.004 . 1 . . . . 144 A HA . 18898 1 786 . 1 1 70 70 ALA HB1 H 1 1.283 0.003 . 1 . . . . 144 A HB . 18898 1 787 . 1 1 70 70 ALA HB2 H 1 1.283 0.003 . 1 . . . . 144 A HB . 18898 1 788 . 1 1 70 70 ALA HB3 H 1 1.283 0.003 . 1 . . . . 144 A HB . 18898 1 789 . 1 1 70 70 ALA C C 13 177.656 0.043 . 1 . . . . 144 A C . 18898 1 790 . 1 1 70 70 ALA CA C 13 52.807 0.072 . 1 . . . . 144 A CA . 18898 1 791 . 1 1 70 70 ALA CB C 13 19.005 0.034 . 1 . . . . 144 A CB . 18898 1 792 . 1 1 70 70 ALA N N 15 124.502 0.083 . 1 . . . . 144 A N . 18898 1 793 . 1 1 71 71 LEU H H 1 7.897 0.003 . 1 . . . . 145 L HN . 18898 1 794 . 1 1 71 71 LEU HA H 1 4.276 0.003 . 1 . . . . 145 L HA . 18898 1 795 . 1 1 71 71 LEU HB2 H 1 1.524 0.002 . 1 . . . . 145 L QB . 18898 1 796 . 1 1 71 71 LEU HB3 H 1 1.524 0.002 . 1 . . . . 145 L QB . 18898 1 797 . 1 1 71 71 LEU HG H 1 1.507 0.004 . 1 . . . . 145 L HG . 18898 1 798 . 1 1 71 71 LEU HD11 H 1 0.829 0 . 1 . . . . 145 L QD1 . 18898 1 799 . 1 1 71 71 LEU HD12 H 1 0.829 0 . 1 . . . . 145 L QD1 . 18898 1 800 . 1 1 71 71 LEU HD13 H 1 0.829 0 . 1 . . . . 145 L QD1 . 18898 1 801 . 1 1 71 71 LEU HD21 H 1 0.804 0.021 . 1 . . . . 145 L QD2 . 18898 1 802 . 1 1 71 71 LEU HD22 H 1 0.804 0.021 . 1 . . . . 145 L QD2 . 18898 1 803 . 1 1 71 71 LEU HD23 H 1 0.804 0.021 . 1 . . . . 145 L QD2 . 18898 1 804 . 1 1 71 71 LEU C C 13 177.574 0.021 . 1 . . . . 145 L C . 18898 1 805 . 1 1 71 71 LEU CA C 13 55.067 0.116 . 1 . . . . 145 L CA . 18898 1 806 . 1 1 71 71 LEU CB C 13 42.231 0.126 . 1 . . . . 145 L CB . 18898 1 807 . 1 1 71 71 LEU CG C 13 26.973 0.075 . 1 . . . . 145 L CG . 18898 1 808 . 1 1 71 71 LEU CD1 C 13 25.029 0.055 . 1 . . . . 145 L CD1 . 18898 1 809 . 1 1 71 71 LEU CD2 C 13 23.321 0.038 . 1 . . . . 145 L CD2 . 18898 1 810 . 1 1 71 71 LEU N N 15 119.506 0.065 . 1 . . . . 145 L N . 18898 1 811 . 1 1 72 72 ILE H H 1 7.842 0.002 . 1 . . . . 146 I HN . 18898 1 812 . 1 1 72 72 ILE HA H 1 4.055 0.002 . 1 . . . . 146 I HA . 18898 1 813 . 1 1 72 72 ILE HB H 1 1.793 0.002 . 1 . . . . 146 I HB . 18898 1 814 . 1 1 72 72 ILE HG12 H 1 1.395 0.009 . 1 . . . . 146 I HG12 . 18898 1 815 . 1 1 72 72 ILE HG13 H 1 1.086 0.005 . 1 . . . . 146 I HG13 . 18898 1 816 . 1 1 72 72 ILE HG21 H 1 0.824 0.018 . 1 . . . . 146 I QG2 . 18898 1 817 . 1 1 72 72 ILE HG22 H 1 0.824 0.018 . 1 . . . . 146 I QG2 . 18898 1 818 . 1 1 72 72 ILE HG23 H 1 0.824 0.018 . 1 . . . . 146 I QG2 . 18898 1 819 . 1 1 72 72 ILE HD11 H 1 0.76 0.031 . 1 . . . . 146 I QD1 . 18898 1 820 . 1 1 72 72 ILE HD12 H 1 0.76 0.031 . 1 . . . . 146 I QD1 . 18898 1 821 . 1 1 72 72 ILE HD13 H 1 0.76 0.031 . 1 . . . . 146 I QD1 . 18898 1 822 . 1 1 72 72 ILE C C 13 176.259 0.015 . 1 . . . . 146 I C . 18898 1 823 . 1 1 72 72 ILE CA C 13 61.486 0.102 . 1 . . . . 146 I CA . 18898 1 824 . 1 1 72 72 ILE CB C 13 38.629 0.07 . 1 . . . . 146 I CB . 18898 1 825 . 1 1 72 72 ILE CG1 C 13 27.378 0.041 . 1 . . . . 146 I CG1 . 18898 1 826 . 1 1 72 72 ILE CG2 C 13 17.317 0.029 . 1 . . . . 146 I CG2 . 18898 1 827 . 1 1 72 72 ILE CD1 C 13 13.008 0.073 . 1 . . . . 146 I CD1 . 18898 1 828 . 1 1 72 72 ILE N N 15 120.683 0.066 . 1 . . . . 146 I N . 18898 1 829 . 1 1 73 73 ASN H H 1 8.517 0.001 . 1 . . . . 147 N HN . 18898 1 830 . 1 1 73 73 ASN HA H 1 4.652 0 . 1 . . . . 147 N HA . 18898 1 831 . 1 1 73 73 ASN HB2 H 1 2.876 0.008 . 1 . . . . 147 N HB2 . 18898 1 832 . 1 1 73 73 ASN HB3 H 1 2.762 0.006 . 1 . . . . 147 N HB3 . 18898 1 833 . 1 1 73 73 ASN C C 13 175.776 0.005 . 1 . . . . 147 N C . 18898 1 834 . 1 1 73 73 ASN CA C 13 53.563 0.155 . 1 . . . . 147 N CA . 18898 1 835 . 1 1 73 73 ASN CB C 13 38.453 0.243 . 1 . . . . 147 N CB . 18898 1 836 . 1 1 73 73 ASN N N 15 122.038 0.093 . 1 . . . . 147 N N . 18898 1 837 . 1 1 74 74 GLY H H 1 8.343 0.002 . 1 . . . . 901 G HN . 18898 1 838 . 1 1 74 74 GLY C C 13 174.754 0 . 1 . . . . 901 G C . 18898 1 839 . 1 1 74 74 GLY CA C 13 45.641 0 . 1 . . . . 901 G CA . 18898 1 840 . 1 1 74 74 GLY N N 15 108.944 0.077 . 1 . . . . 901 G N . 18898 1 841 . 1 1 75 75 GLY H H 1 8.196 0.002 . 1 . . . . 902 G HN . 18898 1 842 . 1 1 75 75 GLY HA2 H 1 4.035 0.001 . 1 . . . . 902 G HA2 . 18898 1 843 . 1 1 75 75 GLY CA C 13 45.359 0.04 . 1 . . . . 902 G CA . 18898 1 844 . 1 1 75 75 GLY N N 15 108.524 0.105 . 1 . . . . 902 G N . 18898 1 845 . 1 1 76 76 SER H H 1 8.354 0.002 . 1 . . . . 903 S HN . 18898 1 846 . 1 1 76 76 SER HA H 1 4.403 0.007 . 1 . . . . 903 S HA . 18898 1 847 . 1 1 76 76 SER HB2 H 1 3.823 0.005 . 1 . . . . 903 S HB2 . 18898 1 848 . 1 1 76 76 SER CA C 13 58.602 0.097 . 1 . . . . 903 S CA . 18898 1 849 . 1 1 76 76 SER CB C 13 63.762 0.154 . 1 . . . . 903 S CB . 18898 1 850 . 1 1 76 76 SER N N 15 115.821 0.122 . 1 . . . . 903 S N . 18898 1 851 . 1 1 77 77 GLY H H 1 8.558 0.002 . 1 . . . . 904 G HN . 18898 1 852 . 1 1 77 77 GLY HA2 H 1 3.998 0 . 1 . . . . 904 G HA2 . 18898 1 853 . 1 1 77 77 GLY C C 13 174.889 0.036 . 1 . . . . 904 G C . 18898 1 854 . 1 1 77 77 GLY CA C 13 45.594 0.009 . 1 . . . . 904 G CA . 18898 1 855 . 1 1 77 77 GLY N N 15 110.847 0.067 . 1 . . . . 904 G N . 18898 1 856 . 1 1 78 78 GLY H H 1 8.307 0.002 . 1 . . . . 905 G HN . 18898 1 857 . 1 1 78 78 GLY HA2 H 1 4.077 0 . 1 . . . . 905 G HA1 . 18898 1 858 . 1 1 78 78 GLY HA3 H 1 3.794 0 . 1 . . . . 905 G HA2 . 18898 1 859 . 1 1 78 78 GLY C C 13 174.452 0.016 . 1 . . . . 905 G C . 18898 1 860 . 1 1 78 78 GLY CA C 13 45.549 0.009 . 1 . . . . 905 G CA . 18898 1 861 . 1 1 78 78 GLY N N 15 108.922 0.076 . 1 . . . . 905 G N . 18898 1 862 . 1 1 79 79 SER H H 1 8.362 0.004 . 1 . . . . 906 S HN . 18898 1 863 . 1 1 79 79 SER HA H 1 4.552 0.002 . 1 . . . . 906 S HA . 18898 1 864 . 1 1 79 79 SER HB2 H 1 3.894 0.002 . 1 . . . . 906 S HB2 . 18898 1 865 . 1 1 79 79 SER HB3 H 1 3.948 0.003 . 1 . . . . 906 S HB3 . 18898 1 866 . 1 1 79 79 SER C C 13 175.108 0 . 1 . . . . 906 S C . 18898 1 867 . 1 1 79 79 SER CA C 13 58.647 0.147 . 1 . . . . 906 S CA . 18898 1 868 . 1 1 79 79 SER CB C 13 64.091 0.153 . 1 . . . . 906 S CB . 18898 1 869 . 1 1 79 79 SER N N 15 115.224 0.04 . 1 . . . . 906 S N . 18898 1 870 . 1 1 80 80 GLY H H 1 8.437 0.002 . 1 . . . . 907 G HN . 18898 1 871 . 1 1 80 80 GLY HA2 H 1 3.585 0.001 . 1 . . . . 907 G HA1 . 18898 1 872 . 1 1 80 80 GLY HA3 H 1 3.447 0.005 . 1 . . . . 907 G HA2 . 18898 1 873 . 1 1 80 80 GLY C C 13 173.335 0.042 . 1 . . . . 907 G C . 18898 1 874 . 1 1 80 80 GLY CA C 13 45.01 0.019 . 1 . . . . 907 G CA . 18898 1 875 . 1 1 80 80 GLY N N 15 110.875 0.084 . 1 . . . . 907 G N . 18898 1 876 . 1 1 81 81 SER H H 1 8.068 0.002 . 1 . . . . 908 S HN . 18898 1 877 . 1 1 81 81 SER HA H 1 4.524 0.006 . 1 . . . . 908 S HA . 18898 1 878 . 1 1 81 81 SER HB2 H 1 3.422 0.01 . 1 . . . . 908 S HB2 . 18898 1 879 . 1 1 81 81 SER HB3 H 1 2.689 0.007 . 1 . . . . 908 S HB3 . 18898 1 880 . 1 1 81 81 SER C C 13 171.471 0.038 . 1 . . . . 908 S C . 18898 1 881 . 1 1 81 81 SER CA C 13 56.983 0.103 . 1 . . . . 908 S CA . 18898 1 882 . 1 1 81 81 SER CB C 13 65.191 0.072 . 1 . . . . 908 S CB . 18898 1 883 . 1 1 81 81 SER N N 15 116.652 0.088 . 1 . . . . 908 S N . 18898 1 884 . 1 1 82 82 ILE H H 1 8.349 0.003 . 1 . . . . 404 I HN . 18898 1 885 . 1 1 82 82 ILE HA H 1 4.526 0.003 . 1 . . . . 404 I HA . 18898 1 886 . 1 1 82 82 ILE HB H 1 1.789 0.001 . 1 . . . . 404 I HB . 18898 1 887 . 1 1 82 82 ILE HG12 H 1 1.444 0.001 . 1 . . . . 404 I HG12 . 18898 1 888 . 1 1 82 82 ILE HG13 H 1 1.184 0.005 . 1 . . . . 404 I HG13 . 18898 1 889 . 1 1 82 82 ILE HG21 H 1 0.827 0 . 1 . . . . 404 I QG2 . 18898 1 890 . 1 1 82 82 ILE HG22 H 1 0.827 0 . 1 . . . . 404 I QG2 . 18898 1 891 . 1 1 82 82 ILE HG23 H 1 0.827 0 . 1 . . . . 404 I QG2 . 18898 1 892 . 1 1 82 82 ILE HD11 H 1 0.741 0.001 . 1 . . . . 404 I QD1 . 18898 1 893 . 1 1 82 82 ILE HD12 H 1 0.741 0.001 . 1 . . . . 404 I QD1 . 18898 1 894 . 1 1 82 82 ILE HD13 H 1 0.741 0.001 . 1 . . . . 404 I QD1 . 18898 1 895 . 1 1 82 82 ILE C C 13 177.298 0.005 . 1 . . . . 404 I C . 18898 1 896 . 1 1 82 82 ILE CA C 13 58.93 0.1 . 1 . . . . 404 I CA . 18898 1 897 . 1 1 82 82 ILE CB C 13 37.995 0.059 . 1 . . . . 404 I CB . 18898 1 898 . 1 1 82 82 ILE CG1 C 13 27.118 0.082 . 1 . . . . 404 I CG1 . 18898 1 899 . 1 1 82 82 ILE CG2 C 13 17.38 0.061 . 1 . . . . 404 I CG2 . 18898 1 900 . 1 1 82 82 ILE CD1 C 13 11.049 0.018 . 1 . . . . 404 I CD1 . 18898 1 901 . 1 1 82 82 ILE N N 15 121.521 0.072 . 1 . . . . 404 I N . 18898 1 902 . 1 1 83 83 ALA H H 1 9.651 0.003 . 1 . . . . 405 A HN . 18898 1 903 . 1 1 83 83 ALA HA H 1 4.471 0.003 . 1 . . . . 405 A HA . 18898 1 904 . 1 1 83 83 ALA HB1 H 1 1.328 0.001 . 1 . . . . 405 A HB . 18898 1 905 . 1 1 83 83 ALA HB2 H 1 1.328 0.001 . 1 . . . . 405 A HB . 18898 1 906 . 1 1 83 83 ALA HB3 H 1 1.328 0.001 . 1 . . . . 405 A HB . 18898 1 907 . 1 1 83 83 ALA CA C 13 50.818 0.075 . 1 . . . . 405 A CA . 18898 1 908 . 1 1 83 83 ALA CB C 13 17.047 0.027 . 1 . . . . 405 A CB . 18898 1 909 . 1 1 83 83 ALA N N 15 133.214 0.079 . 1 . . . . 405 A N . 18898 1 910 . 1 1 84 84 PRO HA H 1 4.587 0.003 . 1 . . . . 406 P HA . 18898 1 911 . 1 1 84 84 PRO HB2 H 1 2.41 0.003 . 1 . . . . 406 P HB2 . 18898 1 912 . 1 1 84 84 PRO HB3 H 1 2.258 0.004 . 1 . . . . 406 P HB3 . 18898 1 913 . 1 1 84 84 PRO HG2 H 1 2.212 0.002 . 1 . . . . 406 P HG2 . 18898 1 914 . 1 1 84 84 PRO HG3 H 1 1.74 0.001 . 1 . . . . 406 P HG3 . 18898 1 915 . 1 1 84 84 PRO HD2 H 1 3.817 0.003 . 1 . . . . 406 P HD2 . 18898 1 916 . 1 1 84 84 PRO HD3 H 1 3.182 0.001 . 1 . . . . 406 P HD3 . 18898 1 917 . 1 1 84 84 PRO C C 13 174.175 0.017 . 1 . . . . 406 P C . 18898 1 918 . 1 1 84 84 PRO CA C 13 61.942 0.06 . 1 . . . . 406 P CA . 18898 1 919 . 1 1 84 84 PRO CB C 13 32.989 0.089 . 1 . . . . 406 P CB . 18898 1 920 . 1 1 84 84 PRO CG C 13 26.331 0.025 . 1 . . . . 406 P CG . 18898 1 921 . 1 1 84 84 PRO CD C 13 50.573 0.046 . 1 . . . . 406 P CD . 18898 1 922 . 1 1 85 85 PHE H H 1 7.899 0.002 . 1 . . . . 407 F HN . 18898 1 923 . 1 1 85 85 PHE HA H 1 4.504 0.013 . 1 . . . . 407 F HA . 18898 1 924 . 1 1 85 85 PHE HB2 H 1 3.171 0.001 . 1 . . . . 407 F HB2 . 18898 1 925 . 1 1 85 85 PHE HB3 H 1 2.847 0 . 1 . . . . 407 F HB3 . 18898 1 926 . 1 1 85 85 PHE HD1 H 1 7.384 0.008 . 3 . . . . 407 F QD . 18898 1 927 . 1 1 85 85 PHE HD2 H 1 7.384 0.008 . 3 . . . . 407 F QD . 18898 1 928 . 1 1 85 85 PHE HE1 H 1 7.277 0.003 . 3 . . . . 407 F QE . 18898 1 929 . 1 1 85 85 PHE HE2 H 1 7.277 0.003 . 3 . . . . 407 F QE . 18898 1 930 . 1 1 85 85 PHE HZ H 1 7.354 0.001 . 1 . . . . 407 F HZ . 18898 1 931 . 1 1 85 85 PHE C C 13 174.954 0 . 1 . . . . 407 F C . 18898 1 932 . 1 1 85 85 PHE CA C 13 57.263 0.065 . 1 . . . . 407 F CA . 18898 1 933 . 1 1 85 85 PHE CB C 13 38.318 0.063 . 1 . . . . 407 F CB . 18898 1 934 . 1 1 85 85 PHE N N 15 113.077 0.099 . 1 . . . . 407 F N . 18898 1 935 . 1 1 86 86 PRO HA H 1 4.753 0 . 1 . . . . 408 P HA . 18898 1 936 . 1 1 86 86 PRO HB2 H 1 2.084 0.006 . 1 . . . . 408 P HB2 . 18898 1 937 . 1 1 86 86 PRO HB3 H 1 1.844 0.001 . 1 . . . . 408 P HB3 . 18898 1 938 . 1 1 86 86 PRO HG2 H 1 2.093 0.001 . 1 . . . . 408 P HG2 . 18898 1 939 . 1 1 86 86 PRO HG3 H 1 1.989 0.001 . 1 . . . . 408 P HG3 . 18898 1 940 . 1 1 86 86 PRO HD2 H 1 3.777 0.006 . 1 . . . . 408 P HD2 . 18898 1 941 . 1 1 86 86 PRO HD3 H 1 3.725 0.003 . 1 . . . . 408 P HD3 . 18898 1 942 . 1 1 86 86 PRO C C 13 175.865 0.018 . 1 . . . . 408 P C . 18898 1 943 . 1 1 86 86 PRO CA C 13 62.926 0.024 . 1 . . . . 408 P CA . 18898 1 944 . 1 1 86 86 PRO CB C 13 33.457 0.039 . 1 . . . . 408 P CB . 18898 1 945 . 1 1 86 86 PRO CG C 13 27.422 0.026 . 1 . . . . 408 P CG . 18898 1 946 . 1 1 86 86 PRO CD C 13 50.676 0.049 . 1 . . . . 408 P CD . 18898 1 947 . 1 1 87 87 GLU H H 1 8.813 0.002 . 1 . . . . 409 E HN . 18898 1 948 . 1 1 87 87 GLU HA H 1 4.723 0.002 . 1 . . . . 409 E HA . 18898 1 949 . 1 1 87 87 GLU HB2 H 1 2.073 0.004 . 1 . . . . 409 E HB2 . 18898 1 950 . 1 1 87 87 GLU HB3 H 1 1.923 0.003 . 1 . . . . 409 E HB3 . 18898 1 951 . 1 1 87 87 GLU HG2 H 1 2.301 0.002 . 1 . . . . 409 E HG2 . 18898 1 952 . 1 1 87 87 GLU HG3 H 1 2.135 0.001 . 1 . . . . 409 E HG3 . 18898 1 953 . 1 1 87 87 GLU C C 13 174.291 0.025 . 1 . . . . 409 E C . 18898 1 954 . 1 1 87 87 GLU CA C 13 54.18 0.126 . 1 . . . . 409 E CA . 18898 1 955 . 1 1 87 87 GLU CB C 13 34.429 0.083 . 1 . . . . 409 E CB . 18898 1 956 . 1 1 87 87 GLU CG C 13 35.862 0.069 . 1 . . . . 409 E CG . 18898 1 957 . 1 1 87 87 GLU N N 15 119.349 0.065 . 1 . . . . 409 E N . 18898 1 958 . 1 1 88 88 ALA H H 1 8.562 0.001 . 1 . . . . 410 A HN . 18898 1 959 . 1 1 88 88 ALA HA H 1 4.331 0.001 . 1 . . . . 410 A HA . 18898 1 960 . 1 1 88 88 ALA HB1 H 1 1.352 0.003 . 1 . . . . 410 A HB . 18898 1 961 . 1 1 88 88 ALA HB2 H 1 1.352 0.003 . 1 . . . . 410 A HB . 18898 1 962 . 1 1 88 88 ALA HB3 H 1 1.352 0.003 . 1 . . . . 410 A HB . 18898 1 963 . 1 1 88 88 ALA C C 13 178.181 0.004 . 1 . . . . 410 A C . 18898 1 964 . 1 1 88 88 ALA CA C 13 52.241 0.13 . 1 . . . . 410 A CA . 18898 1 965 . 1 1 88 88 ALA CB C 13 19.102 0.09 . 1 . . . . 410 A CB . 18898 1 966 . 1 1 88 88 ALA N N 15 124.017 0.085 . 1 . . . . 410 A N . 18898 1 967 . 1 1 89 89 ALA H H 1 8.475 0.001 . 1 . . . . 411 A HN . 18898 1 968 . 1 1 89 89 ALA HA H 1 3.929 0.003 . 1 . . . . 411 A HA . 18898 1 969 . 1 1 89 89 ALA HB1 H 1 1.357 0.001 . 1 . . . . 411 A HB . 18898 1 970 . 1 1 89 89 ALA HB2 H 1 1.357 0.001 . 1 . . . . 411 A HB . 18898 1 971 . 1 1 89 89 ALA HB3 H 1 1.357 0.001 . 1 . . . . 411 A HB . 18898 1 972 . 1 1 89 89 ALA C C 13 178.042 0.03 . 1 . . . . 411 A C . 18898 1 973 . 1 1 89 89 ALA CA C 13 54.247 0.082 . 1 . . . . 411 A CA . 18898 1 974 . 1 1 89 89 ALA CB C 13 18.73 0.054 . 1 . . . . 411 A CB . 18898 1 975 . 1 1 89 89 ALA N N 15 124.837 0.076 . 1 . . . . 411 A N . 18898 1 976 . 1 1 90 90 LEU H H 1 8.075 0.002 . 1 . . . . 412 L HN . 18898 1 977 . 1 1 90 90 LEU HA H 1 4.708 0.001 . 1 . . . . 412 L HA . 18898 1 978 . 1 1 90 90 LEU HB2 H 1 1.584 0.005 . 1 . . . . 412 L HB2 . 18898 1 979 . 1 1 90 90 LEU HB3 H 1 1.487 0.009 . 1 . . . . 412 L HB3 . 18898 1 980 . 1 1 90 90 LEU HG H 1 1.552 0.001 . 1 . . . . 412 L HG . 18898 1 981 . 1 1 90 90 LEU HD11 H 1 0.88 0.002 . 1 . . . . 412 L QD1 . 18898 1 982 . 1 1 90 90 LEU HD12 H 1 0.88 0.002 . 1 . . . . 412 L QD1 . 18898 1 983 . 1 1 90 90 LEU HD13 H 1 0.88 0.002 . 1 . . . . 412 L QD1 . 18898 1 984 . 1 1 90 90 LEU HD21 H 1 0.865 0 . 1 . . . . 412 L QD2 . 18898 1 985 . 1 1 90 90 LEU HD22 H 1 0.865 0 . 1 . . . . 412 L QD2 . 18898 1 986 . 1 1 90 90 LEU HD23 H 1 0.865 0 . 1 . . . . 412 L QD2 . 18898 1 987 . 1 1 90 90 LEU C C 13 174.281 0 . 1 . . . . 412 L C . 18898 1 988 . 1 1 90 90 LEU CA C 13 52.13 0.063 . 1 . . . . 412 L CA . 18898 1 989 . 1 1 90 90 LEU CB C 13 42.645 0.034 . 1 . . . . 412 L CB . 18898 1 990 . 1 1 90 90 LEU CG C 13 27.088 0.043 . 1 . . . . 412 L CG . 18898 1 991 . 1 1 90 90 LEU CD1 C 13 24.933 0.099 . 1 . . . . 412 L CD1 . 18898 1 992 . 1 1 90 90 LEU CD2 C 13 24.149 0.076 . 1 . . . . 412 L CD2 . 18898 1 993 . 1 1 90 90 LEU N N 15 119.893 0.077 . 1 . . . . 412 L N . 18898 1 994 . 1 1 91 91 PRO HA H 1 4.453 0.005 . 1 . . . . 413 P HA . 18898 1 995 . 1 1 91 91 PRO HB2 H 1 2.277 0.004 . 1 . . . . 413 P HB2 . 18898 1 996 . 1 1 91 91 PRO HB3 H 1 1.915 0.001 . 1 . . . . 413 P HB3 . 18898 1 997 . 1 1 91 91 PRO HG2 H 1 1.987 0.002 . 1 . . . . 413 P QG . 18898 1 998 . 1 1 91 91 PRO HG3 H 1 1.987 0.002 . 1 . . . . 413 P QG . 18898 1 999 . 1 1 91 91 PRO HD2 H 1 3.746 0.007 . 1 . . . . 413 P HD2 . 18898 1 1000 . 1 1 91 91 PRO HD3 H 1 3.616 0.003 . 1 . . . . 413 P HD3 . 18898 1 1001 . 1 1 91 91 PRO C C 13 177.094 0.015 . 1 . . . . 413 P C . 18898 1 1002 . 1 1 91 91 PRO CA C 13 63.001 0.044 . 1 . . . . 413 P CA . 18898 1 1003 . 1 1 91 91 PRO CB C 13 32.179 0.044 . 1 . . . . 413 P CB . 18898 1 1004 . 1 1 91 91 PRO CG C 13 27.35 0.025 . 1 . . . . 413 P CG . 18898 1 1005 . 1 1 91 91 PRO CD C 13 50.607 0.082 . 1 . . . . 413 P CD . 18898 1 1006 . 1 1 92 92 THR H H 1 8.177 0.002 . 1 . . . . 414 T HN . 18898 1 1007 . 1 1 92 92 THR HA H 1 4.294 0.009 . 1 . . . . 414 T HA . 18898 1 1008 . 1 1 92 92 THR HB H 1 4.174 0.004 . 1 . . . . 414 T HB . 18898 1 1009 . 1 1 92 92 THR HG21 H 1 1.166 0 . 1 . . . . 414 T QG2 . 18898 1 1010 . 1 1 92 92 THR HG22 H 1 1.166 0 . 1 . . . . 414 T QG2 . 18898 1 1011 . 1 1 92 92 THR HG23 H 1 1.166 0 . 1 . . . . 414 T QG2 . 18898 1 1012 . 1 1 92 92 THR C C 13 174.48 0.026 . 1 . . . . 414 T C . 18898 1 1013 . 1 1 92 92 THR CA C 13 61.757 0.081 . 1 . . . . 414 T CA . 18898 1 1014 . 1 1 92 92 THR CB C 13 69.712 0.084 . 1 . . . . 414 T CB . 18898 1 1015 . 1 1 92 92 THR CG2 C 13 21.394 0.098 . 1 . . . . 414 T CG . 18898 1 1016 . 1 1 92 92 THR N N 15 114.256 0.091 . 1 . . . . 414 T N . 18898 1 1017 . 1 1 93 93 SER H H 1 8.193 0.002 . 1 . . . . 415 S HN . 18898 1 1018 . 1 1 93 93 SER HA H 1 4.424 0.007 . 1 . . . . 415 S HA . 18898 1 1019 . 1 1 93 93 SER HB2 H 1 3.788 0 . 1 . . . . 415 S HB2 . 18898 1 1020 . 1 1 93 93 SER HB3 H 1 3.808 0 . 1 . . . . 415 S HB3 . 18898 1 1021 . 1 1 93 93 SER C C 13 173.689 0.043 . 1 . . . . 415 S C . 18898 1 1022 . 1 1 93 93 SER CA C 13 58.072 0.04 . 1 . . . . 415 S CA . 18898 1 1023 . 1 1 93 93 SER CB C 13 63.852 0.075 . 1 . . . . 415 S CB . 18898 1 1024 . 1 1 93 93 SER N N 15 117.918 0.066 . 1 . . . . 415 S N . 18898 1 1025 . 1 1 94 94 HIS H H 1 8.373 0.006 . 1 . . . . 416 H HN . 18898 1 1026 . 1 1 94 94 HIS HA H 1 4.942 0 . 1 . . . . 416 H HA . 18898 1 1027 . 1 1 94 94 HIS HB2 H 1 3.187 0.003 . 1 . . . . 416 H HB2 . 18898 1 1028 . 1 1 94 94 HIS HB3 H 1 3.072 0.001 . 1 . . . . 416 H HB3 . 18898 1 1029 . 1 1 94 94 HIS HD2 H 1 7.162 0.01 . 1 . . . . 416 H HD2 . 18898 1 1030 . 1 1 94 94 HIS HE1 H 1 8.244 0.01 . 1 . . . . 416 H HE1 . 18898 1 1031 . 1 1 94 94 HIS C C 13 172.547 0 . 1 . . . . 416 H C . 18898 1 1032 . 1 1 94 94 HIS CA C 13 53.702 0.079 . 1 . . . . 416 H CA . 18898 1 1033 . 1 1 94 94 HIS CB C 13 29.462 0.07 . 1 . . . . 416 H CB . 18898 1 1034 . 1 1 94 94 HIS N N 15 121.537 0.081 . 1 . . . . 416 H N . 18898 1 1035 . 1 1 94 94 HIS ND1 N 15 178.084 0.059 . 1 . . . . 416 H ND1 . 18898 1 1036 . 1 1 94 94 HIS NE2 N 15 222.92 0 . 1 . . . . 416 H NE2 . 18898 1 1037 . 1 1 95 95 PRO HA H 1 4.421 0.002 . 1 . . . . 417 P HA . 18898 1 1038 . 1 1 95 95 PRO HB2 H 1 2.284 0.005 . 1 . . . . 417 P HB2 . 18898 1 1039 . 1 1 95 95 PRO HB3 H 1 1.966 0.001 . 1 . . . . 417 P HB3 . 18898 1 1040 . 1 1 95 95 PRO HG2 H 1 2.009 0 . 1 . . . . 417 P HG2 . 18898 1 1041 . 1 1 95 95 PRO HG3 H 1 1.967 0.001 . 1 . . . . 417 P HG3 . 18898 1 1042 . 1 1 95 95 PRO HD2 H 1 3.742 0.001 . 1 . . . . 417 P HD2 . 18898 1 1043 . 1 1 95 95 PRO HD3 H 1 3.537 0.008 . 1 . . . . 417 P HD3 . 18898 1 1044 . 1 1 95 95 PRO C C 13 176.06 0.014 . 1 . . . . 417 P C . 18898 1 1045 . 1 1 95 95 PRO CA C 13 63.448 0.036 . 1 . . . . 417 P CA . 18898 1 1046 . 1 1 95 95 PRO CB C 13 32.159 0.059 . 1 . . . . 417 P CB . 18898 1 1047 . 1 1 95 95 PRO CG C 13 27.355 0.014 . 1 . . . . 417 P CG . 18898 1 1048 . 1 1 95 95 PRO CD C 13 50.761 0.038 . 1 . . . . 417 P CD . 18898 1 1049 . 1 1 96 96 LYS H H 1 8.057 0.003 . 1 . . . . 418 K HN . 18898 1 1050 . 1 1 96 96 LYS HA H 1 4.139 0.001 . 1 . . . . 418 K HA . 18898 1 1051 . 1 1 96 96 LYS HB2 H 1 1.814 0.001 . 1 . . . . 418 K HB2 . 18898 1 1052 . 1 1 96 96 LYS HB3 H 1 1.718 0 . 1 . . . . 418 K HB3 . 18898 1 1053 . 1 1 96 96 LYS HG2 H 1 1.433 0 . 1 . . . . 418 K HG2 . 18898 1 1054 . 1 1 96 96 LYS HG3 H 1 1.362 0.003 . 1 . . . . 418 K HG3 . 18898 1 1055 . 1 1 96 96 LYS HD2 H 1 1.687 0 . 1 . . . . 418 K QD . 18898 1 1056 . 1 1 96 96 LYS HD3 H 1 1.687 0 . 1 . . . . 418 K QD . 18898 1 1057 . 1 1 96 96 LYS HE2 H 1 2.999 0 . 1 . . . . 418 K HE2 . 18898 1 1058 . 1 1 96 96 LYS HE3 H 1 2.963 0.001 . 1 . . . . 418 K HE3 . 18898 1 1059 . 1 1 96 96 LYS C C 13 181.444 0 . 1 . . . . 418 K C . 18898 1 1060 . 1 1 96 96 LYS CA C 13 57.843 0.118 . 1 . . . . 418 K CA . 18898 1 1061 . 1 1 96 96 LYS CB C 13 33.638 0.056 . 1 . . . . 418 K CB . 18898 1 1062 . 1 1 96 96 LYS CG C 13 24.845 0.085 . 1 . . . . 418 K CG . 18898 1 1063 . 1 1 96 96 LYS CD C 13 29.08 0.015 . 1 . . . . 418 K CD . 18898 1 1064 . 1 1 96 96 LYS CE C 13 41.984 0.067 . 1 . . . . 418 K CE . 18898 1 1065 . 1 1 96 96 LYS N N 15 127.147 0.079 . 1 . . . . 418 K N . 18898 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 482 18898 1 1 483 18898 1 1 484 18898 1 1 485 18898 1 2 491 18898 1 2 492 18898 1 stop_ save_