data_36323 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36323 _Entry.Title ; Solution structure of the core domain of Fibroblast growth factor 21 (FGF21) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-14 _Entry.Accession_date 2021-01-15 _Entry.Last_release_date 2021-01-15 _Entry.Original_release_date 2021-01-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36323 stop_ 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.ORCID _Entry_author.Entry_ID 1 L. Zhu L. . . . 36323 2 H. Zhao H. . . . 36323 3 J. Wang J. . . . 36323 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Anti-diabetes . 36323 HORMONE . 36323 'Metabolic regulator' . 36323 'beta-klotho binding' . 36323 'beta-trefoil conformation' . 36323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 36323 '15N chemical shifts' 114 36323 '1H chemical shifts' 733 36323 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-10-13 . original BMRB . 36323 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36324 'Solution structure of disulfide bond mutaion of the core domain of Fibroblast growth factor 21 (FGF21)' 36323 PDB 6M6E 'BMRB Entry Tracking System' 36323 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36323 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33295692 _Citation.DOI 10.15252/embr.202051352 _Citation.Full_citation . _Citation.Title ; Dynamic folding modulation generates FGF21 variant against diabetes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO Rep.' _Citation.Journal_name_full 'EMBO reports' _Citation.Journal_volume 22 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-221X _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 e51352 _Citation.Page_last e51352 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lei Zhu L. . . . 36323 1 2 Hongxin Zhao H. . . . 36323 1 3 Juanjuan Liu J. . . . 36323 1 4 Hao Cai H. . . . 36323 1 5 Bo Wu B. . . . 36323 1 6 Zhijun Liu Z. . . . 36323 1 7 Shu Zhou S. . . . 36323 1 8 Qingsong Liu Q. . . . 36323 1 9 Xiaokun Li X. . . . 36323 1 10 Bin Bao B. . . . 36323 1 11 Jian Liu J. . . . 36323 1 12 Han Dai H. . . . 36323 1 13 Junfeng Wang J. . . . 36323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36323 _Assembly.ID 1 _Assembly.Name 'Fibroblast growth factor 21' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 14089.793 _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 entity_1 1 $entity_1 A A yes . . . . FGF-21 . 36323 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide sing . 1 entity_1 1 CYS 62 62 SG . 1 entity_1 1 CYS 80 80 SG . . A 75 CYS SG . . A 93 CYS SG 36323 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 . CYS 62 62 HG A 75 CYS HG 36323 1 2 . 1 . CYS 80 80 HG A 93 CYS HG 36323 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A 14 GLY . start no . 36323 1 . 1 1 10 THR 10 . A 23 THR . middle . . 36323 1 . 1 1 100 GLY 100 . A 113 GLY . middle no . 36323 1 . 1 1 101 LEU 101 . A 114 LEU . middle . . 36323 1 . 1 1 102 PRO 102 . A 115 PRO . middle no . 36323 1 . 1 1 103 LEU 103 . A 116 LEU . middle . . 36323 1 . 1 1 104 HIS 104 . A 117 HIS . middle . . 36323 1 . 1 1 105 LEU 105 . A 118 LEU . middle . . 36323 1 . 1 1 106 PRO 106 . A 119 PRO . middle no . 36323 1 . 1 1 107 GLY 107 . A 120 GLY . middle no . 36323 1 . 1 1 108 ASN 108 . A 121 ASN . middle . . 36323 1 . 1 1 109 LYS 109 . A 122 LYS . middle . . 36323 1 . 1 1 11 ASP 11 . A 24 ASP . middle . . 36323 1 . 1 1 110 SER 110 . A 123 SER . middle . . 36323 1 . 1 1 111 PRO 111 . A 124 PRO . middle no . 36323 1 . 1 1 112 HIS 112 . A 125 HIS . middle . . 36323 1 . 1 1 113 ARG 113 . A 126 ARG . middle . . 36323 1 . 1 1 114 ASP 114 . A 127 ASP . middle . . 36323 1 . 1 1 115 PRO 115 . A 128 PRO . middle no . 36323 1 . 1 1 116 ALA 116 . A 129 ALA . middle . . 36323 1 . 1 1 117 PRO 117 . A 130 PRO . middle no . 36323 1 . 1 1 118 ARG 118 . A 131 ARG . middle . . 36323 1 . 1 1 119 GLY 119 . A 132 GLY . middle no . 36323 1 . 1 1 12 ASP 12 . A 25 ASP . middle . . 36323 1 . 1 1 120 PRO 120 . A 133 PRO . middle no . 36323 1 . 1 1 121 ALA 121 . A 134 ALA . middle . . 36323 1 . 1 1 122 ARG 122 . A 135 ARG . middle . . 36323 1 . 1 1 123 PHE 123 . A 136 PHE . middle . . 36323 1 . 1 1 124 LEU 124 . A 137 LEU . middle . . 36323 1 . 1 1 125 PRO 125 . A 138 PRO . middle no . 36323 1 . 1 1 126 LEU 126 . A 139 LEU . middle . . 36323 1 . 1 1 127 PRO 127 . A 140 PRO . middle no . 36323 1 . 1 1 128 GLY 128 . A 141 GLY . end no . 36323 1 . 1 1 13 ALA 13 . A 26 ALA . middle . . 36323 1 . 1 1 14 GLN 14 . A 27 GLN . middle . . 36323 1 . 1 1 15 GLN 15 . A 28 GLN . middle . . 36323 1 . 1 1 16 THR 16 . A 29 THR . middle . . 36323 1 . 1 1 17 GLU 17 . A 30 GLU . middle . . 36323 1 . 1 1 18 ALA 18 . A 31 ALA . middle . . 36323 1 . 1 1 19 HIS 19 . A 32 HIS . middle . . 36323 1 . 1 1 2 GLN 2 . A 15 GLN . middle . . 36323 1 . 1 1 20 LEU 20 . A 33 LEU . middle . . 36323 1 . 1 1 21 GLU 21 . A 34 GLU . middle . . 36323 1 . 1 1 22 ILE 22 . A 35 ILE . middle . . 36323 1 . 1 1 23 ARG 23 . A 36 ARG . middle . . 36323 1 . 1 1 24 GLU 24 . A 37 GLU . middle . . 36323 1 . 1 1 25 ASP 25 . A 38 ASP . middle . . 36323 1 . 1 1 26 GLY 26 . A 39 GLY . middle no . 36323 1 . 1 1 27 THR 27 . A 40 THR . middle . . 36323 1 . 1 1 28 VAL 28 . A 41 VAL . middle . . 36323 1 . 1 1 29 GLY 29 . A 42 GLY . middle no . 36323 1 . 1 1 3 VAL 3 . A 16 VAL . middle . . 36323 1 . 1 1 30 GLY 30 . A 43 GLY . middle no . 36323 1 . 1 1 31 ALA 31 . A 44 ALA . middle . . 36323 1 . 1 1 32 ALA 32 . A 45 ALA . middle . . 36323 1 . 1 1 33 ASP 33 . A 46 ASP . middle . . 36323 1 . 1 1 34 GLN 34 . A 47 GLN . middle . . 36323 1 . 1 1 35 SER 35 . A 48 SER . middle . . 36323 1 . 1 1 36 PRO 36 . A 49 PRO . middle no . 36323 1 . 1 1 37 GLU 37 . A 50 GLU . middle . . 36323 1 . 1 1 38 SER 38 . A 51 SER . middle . . 36323 1 . 1 1 39 LEU 39 . A 52 LEU . middle . . 36323 1 . 1 1 4 ARG 4 . A 17 ARG . middle . . 36323 1 . 1 1 40 LEU 40 . A 53 LEU . middle . . 36323 1 . 1 1 41 GLN 41 . A 54 GLN . middle . . 36323 1 . 1 1 42 LEU 42 . A 55 LEU . middle . . 36323 1 . 1 1 43 LYS 43 . A 56 LYS . middle . . 36323 1 . 1 1 44 ALA 44 . A 57 ALA . middle . . 36323 1 . 1 1 45 LEU 45 . A 58 LEU . middle . . 36323 1 . 1 1 46 LYS 46 . A 59 LYS . middle . . 36323 1 . 1 1 47 PRO 47 . A 60 PRO . middle no . 36323 1 . 1 1 48 GLY 48 . A 61 GLY . middle no . 36323 1 . 1 1 49 VAL 49 . A 62 VAL . middle . . 36323 1 . 1 1 5 GLN 5 . A 18 GLN . middle . . 36323 1 . 1 1 50 ILE 50 . A 63 ILE . middle . . 36323 1 . 1 1 51 GLN 51 . A 64 GLN . middle . . 36323 1 . 1 1 52 ILE 52 . A 65 ILE . middle . . 36323 1 . 1 1 53 LEU 53 . A 66 LEU . middle . . 36323 1 . 1 1 54 GLY 54 . A 67 GLY . middle no . 36323 1 . 1 1 55 VAL 55 . A 68 VAL . middle . . 36323 1 . 1 1 56 LYS 56 . A 69 LYS . middle . . 36323 1 . 1 1 57 THR 57 . A 70 THR . middle . . 36323 1 . 1 1 58 SER 58 . A 71 SER . middle . . 36323 1 . 1 1 59 ARG 59 . A 72 ARG . middle . . 36323 1 . 1 1 6 ARG 6 . A 19 ARG . middle . . 36323 1 . 1 1 60 PHE 60 . A 73 PHE . middle . . 36323 1 . 1 1 61 LEU 61 . A 74 LEU . middle . . 36323 1 . 1 1 62 CYS 62 . A 75 CYS . middle . . 36323 1 . 1 1 63 GLN 63 . A 76 GLN . middle . . 36323 1 . 1 1 64 ARG 64 . A 77 ARG . middle . . 36323 1 . 1 1 65 PRO 65 . A 78 PRO . middle no . 36323 1 . 1 1 66 ASP 66 . A 79 ASP . middle . . 36323 1 . 1 1 67 GLY 67 . A 80 GLY . middle no . 36323 1 . 1 1 68 ALA 68 . A 81 ALA . middle . . 36323 1 . 1 1 69 LEU 69 . A 82 LEU . middle . . 36323 1 . 1 1 7 TYR 7 . A 20 TYR . middle . . 36323 1 . 1 1 70 TYR 70 . A 83 TYR . middle . . 36323 1 . 1 1 71 GLY 71 . A 84 GLY . middle no . 36323 1 . 1 1 72 SER 72 . A 85 SER . middle . . 36323 1 . 1 1 73 LEU 73 . A 86 LEU . middle . . 36323 1 . 1 1 74 HIS 74 . A 87 HIS . middle . . 36323 1 . 1 1 75 PHE 75 . A 88 PHE . middle . . 36323 1 . 1 1 76 ASP 76 . A 89 ASP . middle . . 36323 1 . 1 1 77 PRO 77 . A 90 PRO . middle no . 36323 1 . 1 1 78 GLU 78 . A 91 GLU . middle . . 36323 1 . 1 1 79 ALA 79 . A 92 ALA . middle . . 36323 1 . 1 1 8 LEU 8 . A 21 LEU . middle . . 36323 1 . 1 1 80 CYS 80 . A 93 CYS . middle . . 36323 1 . 1 1 81 SER 81 . A 94 SER . middle . . 36323 1 . 1 1 82 PHE 82 . A 95 PHE . middle . . 36323 1 . 1 1 83 ARG 83 . A 96 ARG . middle . . 36323 1 . 1 1 84 GLU 84 . A 97 GLU . middle . . 36323 1 . 1 1 85 LEU 85 . A 98 LEU . middle . . 36323 1 . 1 1 86 LEU 86 . A 99 LEU . middle . . 36323 1 . 1 1 87 LEU 87 . A 100 LEU . middle . . 36323 1 . 1 1 88 GLU 88 . A 101 GLU . middle . . 36323 1 . 1 1 89 ASP 89 . A 102 ASP . middle . . 36323 1 . 1 1 9 TYR 9 . A 22 TYR . middle . . 36323 1 . 1 1 90 GLY 90 . A 103 GLY . middle no . 36323 1 . 1 1 91 TYR 91 . A 104 TYR . middle . . 36323 1 . 1 1 92 ASN 92 . A 105 ASN . middle . . 36323 1 . 1 1 93 VAL 93 . A 106 VAL . middle . . 36323 1 . 1 1 94 TYR 94 . A 107 TYR . middle . . 36323 1 . 1 1 95 GLN 95 . A 108 GLN . middle . . 36323 1 . 1 1 96 SER 96 . A 109 SER . middle . . 36323 1 . 1 1 97 GLU 97 . A 110 GLU . middle . . 36323 1 . 1 1 98 ALA 98 . A 111 ALA . middle . . 36323 1 . 1 1 99 HIS 99 . A 112 HIS . middle . . 36323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36323 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibroblast growth factor 21' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQVRQRYLYTDDAQQTEAHL EIREDGTVGGAADQSPESLL QLKALKPGVIQILGVKTSRF LCQRPDGALYGSLHFDPEAC SFRELLLEDGYNVYQSEAHG LPLHLPGNKSPHRDPAPRGP ARFLPLPG ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14089.793 _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 FGF-21 common 36323 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 14 GLY . 36323 1 2 15 GLN . 36323 1 3 16 VAL . 36323 1 4 17 ARG . 36323 1 5 18 GLN . 36323 1 6 19 ARG . 36323 1 7 20 TYR . 36323 1 8 21 LEU . 36323 1 9 22 TYR . 36323 1 10 23 THR . 36323 1 11 24 ASP . 36323 1 12 25 ASP . 36323 1 13 26 ALA . 36323 1 14 27 GLN . 36323 1 15 28 GLN . 36323 1 16 29 THR . 36323 1 17 30 GLU . 36323 1 18 31 ALA . 36323 1 19 32 HIS . 36323 1 20 33 LEU . 36323 1 21 34 GLU . 36323 1 22 35 ILE . 36323 1 23 36 ARG . 36323 1 24 37 GLU . 36323 1 25 38 ASP . 36323 1 26 39 GLY . 36323 1 27 40 THR . 36323 1 28 41 VAL . 36323 1 29 42 GLY . 36323 1 30 43 GLY . 36323 1 31 44 ALA . 36323 1 32 45 ALA . 36323 1 33 46 ASP . 36323 1 34 47 GLN . 36323 1 35 48 SER . 36323 1 36 49 PRO . 36323 1 37 50 GLU . 36323 1 38 51 SER . 36323 1 39 52 LEU . 36323 1 40 53 LEU . 36323 1 41 54 GLN . 36323 1 42 55 LEU . 36323 1 43 56 LYS . 36323 1 44 57 ALA . 36323 1 45 58 LEU . 36323 1 46 59 LYS . 36323 1 47 60 PRO . 36323 1 48 61 GLY . 36323 1 49 62 VAL . 36323 1 50 63 ILE . 36323 1 51 64 GLN . 36323 1 52 65 ILE . 36323 1 53 66 LEU . 36323 1 54 67 GLY . 36323 1 55 68 VAL . 36323 1 56 69 LYS . 36323 1 57 70 THR . 36323 1 58 71 SER . 36323 1 59 72 ARG . 36323 1 60 73 PHE . 36323 1 61 74 LEU . 36323 1 62 75 CYS . 36323 1 63 76 GLN . 36323 1 64 77 ARG . 36323 1 65 78 PRO . 36323 1 66 79 ASP . 36323 1 67 80 GLY . 36323 1 68 81 ALA . 36323 1 69 82 LEU . 36323 1 70 83 TYR . 36323 1 71 84 GLY . 36323 1 72 85 SER . 36323 1 73 86 LEU . 36323 1 74 87 HIS . 36323 1 75 88 PHE . 36323 1 76 89 ASP . 36323 1 77 90 PRO . 36323 1 78 91 GLU . 36323 1 79 92 ALA . 36323 1 80 93 CYS . 36323 1 81 94 SER . 36323 1 82 95 PHE . 36323 1 83 96 ARG . 36323 1 84 97 GLU . 36323 1 85 98 LEU . 36323 1 86 99 LEU . 36323 1 87 100 LEU . 36323 1 88 101 GLU . 36323 1 89 102 ASP . 36323 1 90 103 GLY . 36323 1 91 104 TYR . 36323 1 92 105 ASN . 36323 1 93 106 VAL . 36323 1 94 107 TYR . 36323 1 95 108 GLN . 36323 1 96 109 SER . 36323 1 97 110 GLU . 36323 1 98 111 ALA . 36323 1 99 112 HIS . 36323 1 100 113 GLY . 36323 1 101 114 LEU . 36323 1 102 115 PRO . 36323 1 103 116 LEU . 36323 1 104 117 HIS . 36323 1 105 118 LEU . 36323 1 106 119 PRO . 36323 1 107 120 GLY . 36323 1 108 121 ASN . 36323 1 109 122 LYS . 36323 1 110 123 SER . 36323 1 111 124 PRO . 36323 1 112 125 HIS . 36323 1 113 126 ARG . 36323 1 114 127 ASP . 36323 1 115 128 PRO . 36323 1 116 129 ALA . 36323 1 117 130 PRO . 36323 1 118 131 ARG . 36323 1 119 132 GLY . 36323 1 120 133 PRO . 36323 1 121 134 ALA . 36323 1 122 135 ARG . 36323 1 123 136 PHE . 36323 1 124 137 LEU . 36323 1 125 138 PRO . 36323 1 126 139 LEU . 36323 1 127 140 PRO . 36323 1 128 141 GLY . 36323 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 36323 1 . GLN 2 2 36323 1 . VAL 3 3 36323 1 . ARG 4 4 36323 1 . GLN 5 5 36323 1 . ARG 6 6 36323 1 . TYR 7 7 36323 1 . LEU 8 8 36323 1 . TYR 9 9 36323 1 . THR 10 10 36323 1 . ASP 11 11 36323 1 . ASP 12 12 36323 1 . ALA 13 13 36323 1 . GLN 14 14 36323 1 . GLN 15 15 36323 1 . THR 16 16 36323 1 . GLU 17 17 36323 1 . ALA 18 18 36323 1 . HIS 19 19 36323 1 . LEU 20 20 36323 1 . GLU 21 21 36323 1 . ILE 22 22 36323 1 . ARG 23 23 36323 1 . GLU 24 24 36323 1 . ASP 25 25 36323 1 . GLY 26 26 36323 1 . THR 27 27 36323 1 . VAL 28 28 36323 1 . GLY 29 29 36323 1 . GLY 30 30 36323 1 . ALA 31 31 36323 1 . ALA 32 32 36323 1 . ASP 33 33 36323 1 . GLN 34 34 36323 1 . SER 35 35 36323 1 . PRO 36 36 36323 1 . GLU 37 37 36323 1 . SER 38 38 36323 1 . LEU 39 39 36323 1 . LEU 40 40 36323 1 . GLN 41 41 36323 1 . LEU 42 42 36323 1 . LYS 43 43 36323 1 . ALA 44 44 36323 1 . LEU 45 45 36323 1 . LYS 46 46 36323 1 . PRO 47 47 36323 1 . GLY 48 48 36323 1 . VAL 49 49 36323 1 . ILE 50 50 36323 1 . GLN 51 51 36323 1 . ILE 52 52 36323 1 . LEU 53 53 36323 1 . GLY 54 54 36323 1 . VAL 55 55 36323 1 . LYS 56 56 36323 1 . THR 57 57 36323 1 . SER 58 58 36323 1 . ARG 59 59 36323 1 . PHE 60 60 36323 1 . LEU 61 61 36323 1 . CYS 62 62 36323 1 . GLN 63 63 36323 1 . ARG 64 64 36323 1 . PRO 65 65 36323 1 . ASP 66 66 36323 1 . GLY 67 67 36323 1 . ALA 68 68 36323 1 . LEU 69 69 36323 1 . TYR 70 70 36323 1 . GLY 71 71 36323 1 . SER 72 72 36323 1 . LEU 73 73 36323 1 . HIS 74 74 36323 1 . PHE 75 75 36323 1 . ASP 76 76 36323 1 . PRO 77 77 36323 1 . GLU 78 78 36323 1 . ALA 79 79 36323 1 . CYS 80 80 36323 1 . SER 81 81 36323 1 . PHE 82 82 36323 1 . ARG 83 83 36323 1 . GLU 84 84 36323 1 . LEU 85 85 36323 1 . LEU 86 86 36323 1 . LEU 87 87 36323 1 . GLU 88 88 36323 1 . ASP 89 89 36323 1 . GLY 90 90 36323 1 . TYR 91 91 36323 1 . ASN 92 92 36323 1 . VAL 93 93 36323 1 . TYR 94 94 36323 1 . GLN 95 95 36323 1 . SER 96 96 36323 1 . GLU 97 97 36323 1 . ALA 98 98 36323 1 . HIS 99 99 36323 1 . GLY 100 100 36323 1 . LEU 101 101 36323 1 . PRO 102 102 36323 1 . LEU 103 103 36323 1 . HIS 104 104 36323 1 . LEU 105 105 36323 1 . PRO 106 106 36323 1 . GLY 107 107 36323 1 . ASN 108 108 36323 1 . LYS 109 109 36323 1 . SER 110 110 36323 1 . PRO 111 111 36323 1 . HIS 112 112 36323 1 . ARG 113 113 36323 1 . ASP 114 114 36323 1 . PRO 115 115 36323 1 . ALA 116 116 36323 1 . PRO 117 117 36323 1 . ARG 118 118 36323 1 . GLY 119 119 36323 1 . PRO 120 120 36323 1 . ALA 121 121 36323 1 . ARG 122 122 36323 1 . PHE 123 123 36323 1 . LEU 124 124 36323 1 . PRO 125 125 36323 1 . LEU 126 126 36323 1 . PRO 127 127 36323 1 . GLY 128 128 36323 1 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 36323 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . FGF21 . 36323 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 36323 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 Escherichia coli K-12 . . . . . pET22b . . . 36323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36323 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 15N] FGF21core, 20 mM sodium phosphate, 100 mM sodium chloride, 50 mM glutamic acid, 50 mM arginine, 100 mM imidazole, 0.2 % w/v sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FGF21core '[U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36323 1 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.2 . . '% w/v' . . . . 36323 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36323 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36323 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36323 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36323 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36323 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 13C; U-99% 15N] FGF21core, 20 mM sodium phosphate, 100 mM sodium chloride, 50 mM glutamic acid, 50 mM arginine, 100 mM imidazole, 0.2 % w/v sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FGF21core '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36323 2 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.2 . . '% w/v' . . . . 36323 2 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36323 2 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36323 2 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36323 2 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36323 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36323 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 13C; U-99% 15N] FGF21core, 20 mM sodium phosphate, 100 mM sodium chloride, 50 mM glutamic acid, 50 mM arginine, 100 mM imidazole, 0.2 % w/v sodium azide, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 FGF21core '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36323 3 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.2 . . '% w/v' . . . . 36323 3 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36323 3 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36323 3 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36323 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36323 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 260 . mM 36323 1 pH 7.0 . pH 36323 1 pressure 1 . atm 36323 1 temperature 298 . K 36323 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36323 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36323 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36323 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36323 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36323 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36323 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36323 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36323 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36323 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36323 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36323 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36323 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36323 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36323 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 36323 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36323 _Software.ID 6 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36323 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36323 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36323 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36323 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36323 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 36323 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 850 . . . 36323 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36323 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36323 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36323 1 3 '2D 1H-13C HSQC aliphatic' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36323 1 4 '3D HNCO' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 5 '3D HNCA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 6 '2D 1H-15N HSQC' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36323 1 7 '3D HNCACB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 8 '3D HN(CO)CA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 9 '3D HN(CA)CO' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 10 '3D CBCA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 11 '3D HBHA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 12 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 13 '3D 1H-13C NOESY' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 14 '3D 1H-13C NOESY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36323 1 15 '3D HCCH-TOCSY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36323 1 16 '3D HCCH-COSY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36323 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 36323 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 36323 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36323 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 36323 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' 1 $sample_1 isotropic 36323 1 2 '2D 1H-15N HSQC' 2 $sample_2 isotropic 36323 1 3 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 36323 1 4 '3D HNCO' 2 $sample_2 isotropic 36323 1 5 '3D HNCA' 2 $sample_2 isotropic 36323 1 6 '2D 1H-15N HSQC' 3 $sample_3 isotropic 36323 1 7 '3D HNCACB' 2 $sample_2 isotropic 36323 1 8 '3D HN(CO)CA' 2 $sample_2 isotropic 36323 1 9 '3D HN(CA)CO' 2 $sample_2 isotropic 36323 1 10 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36323 1 11 '3D HBHA(CO)NH' 2 $sample_2 isotropic 36323 1 12 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36323 1 13 '3D 1H-13C NOESY' 2 $sample_2 isotropic 36323 1 14 '3D 1H-13C NOESY' 3 $sample_3 isotropic 36323 1 15 '3D HCCH-TOCSY' 3 $sample_3 isotropic 36323 1 16 '3D HCCH-COSY' 3 $sample_3 isotropic 36323 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLN HA H 1 4.277 0.002 . 1 . . . . A 15 GLN HA . 36323 1 2 . 1 . 1 2 2 GLN HB2 H 1 2.002 0 . . . . . . A 15 GLN HB2 . 36323 1 3 . 1 . 1 2 2 GLN CA C 13 53.844 0 . 1 . . . . A 15 GLN CA . 36323 1 4 . 1 . 1 2 2 GLN CB C 13 27.608 0 . 1 . . . . A 15 GLN CB . 36323 1 5 . 1 . 1 3 3 VAL H H 1 8.334 0.01 . 1 . . . . A 16 VAL H . 36323 1 6 . 1 . 1 3 3 VAL HA H 1 4.608 0.025 . 1 . . . . A 16 VAL HA . 36323 1 7 . 1 . 1 3 3 VAL HB H 1 1.869 0.006 . 1 . . . . A 16 VAL HB . 36323 1 8 . 1 . 1 3 3 VAL HG11 H 1 0.824 0.003 . . . . . . A 16 VAL HG11 . 36323 1 9 . 1 . 1 3 3 VAL HG12 H 1 0.824 0.003 . . . . . . A 16 VAL HG12 . 36323 1 10 . 1 . 1 3 3 VAL HG13 H 1 0.824 0.003 . . . . . . A 16 VAL HG13 . 36323 1 11 . 1 . 1 3 3 VAL HG21 H 1 0.715 0.009 . . . . . . A 16 VAL HG21 . 36323 1 12 . 1 . 1 3 3 VAL HG22 H 1 0.715 0.009 . . . . . . A 16 VAL HG22 . 36323 1 13 . 1 . 1 3 3 VAL HG23 H 1 0.715 0.009 . . . . . . A 16 VAL HG23 . 36323 1 14 . 1 . 1 3 3 VAL C C 13 172.913 0.002 . 1 . . . . A 16 VAL C . 36323 1 15 . 1 . 1 3 3 VAL CA C 13 59.416 0.085 . 1 . . . . A 16 VAL CA . 36323 1 16 . 1 . 1 3 3 VAL CB C 13 31.693 0.101 . 1 . . . . A 16 VAL CB . 36323 1 17 . 1 . 1 3 3 VAL CG1 C 13 19.137 0.036 . . . . . . A 16 VAL CG1 . 36323 1 18 . 1 . 1 3 3 VAL CG2 C 13 19.16 0.004 . . . . . . A 16 VAL CG2 . 36323 1 19 . 1 . 1 3 3 VAL N N 15 121.675 0.026 . 1 . . . . A 16 VAL N . 36323 1 20 . 1 . 1 4 4 ARG H H 1 8.523 0.011 . 1 . . . . A 17 ARG H . 36323 1 21 . 1 . 1 4 4 ARG HA H 1 4.505 0.018 . 1 . . . . A 17 ARG HA . 36323 1 22 . 1 . 1 4 4 ARG HB2 H 1 1.708 0.014 . . . . . . A 17 ARG HB2 . 36323 1 23 . 1 . 1 4 4 ARG HD2 H 1 3.251 0 . . . . . . A 17 ARG HD2 . 36323 1 24 . 1 . 1 4 4 ARG HD3 H 1 2.862 0 . . . . . . A 17 ARG HD3 . 36323 1 25 . 1 . 1 4 4 ARG C C 13 171.631 0.007 . 1 . . . . A 17 ARG C . 36323 1 26 . 1 . 1 4 4 ARG CA C 13 52.379 0.029 . 1 . . . . A 17 ARG CA . 36323 1 27 . 1 . 1 4 4 ARG CB C 13 32.166 0.107 . 1 . . . . A 17 ARG CB . 36323 1 28 . 1 . 1 4 4 ARG N N 15 125.221 0.048 . 1 . . . . A 17 ARG N . 36323 1 29 . 1 . 1 5 5 GLN H H 1 9.047 0.002 . 1 . . . . A 18 GLN H . 36323 1 30 . 1 . 1 5 5 GLN HA H 1 5.384 0.008 . 1 . . . . A 18 GLN HA . 36323 1 31 . 1 . 1 5 5 GLN HB2 H 1 1.893 0.024 . . . . . . A 18 GLN HB2 . 36323 1 32 . 1 . 1 5 5 GLN HB3 H 1 1.801 0.023 . . . . . . A 18 GLN HB3 . 36323 1 33 . 1 . 1 5 5 GLN HG2 H 1 2.043 0.018 . . . . . . A 18 GLN HG2 . 36323 1 34 . 1 . 1 5 5 GLN HG3 H 1 1.958 0.008 . . . . . . A 18 GLN HG3 . 36323 1 35 . 1 . 1 5 5 GLN HE21 H 1 7.813 0.039 . . . . . . A 18 GLN HE21 . 36323 1 36 . 1 . 1 5 5 GLN HE22 H 1 6.639 0.003 . . . . . . A 18 GLN HE22 . 36323 1 37 . 1 . 1 5 5 GLN C C 13 174.248 0.02 . 1 . . . . A 18 GLN C . 36323 1 38 . 1 . 1 5 5 GLN CA C 13 53.207 0.049 . 1 . . . . A 18 GLN CA . 36323 1 39 . 1 . 1 5 5 GLN CB C 13 27.805 0.059 . 1 . . . . A 18 GLN CB . 36323 1 40 . 1 . 1 5 5 GLN CG C 13 33.337 0.033 . 1 . . . . A 18 GLN CG . 36323 1 41 . 1 . 1 5 5 GLN N N 15 125.712 0.045 . 1 . . . . A 18 GLN N . 36323 1 42 . 1 . 1 5 5 GLN NE2 N 15 111.995 0.025 . 1 . . . . A 18 GLN NE2 . 36323 1 43 . 1 . 1 6 6 ARG H H 1 9.25 0.005 . 1 . . . . A 19 ARG H . 36323 1 44 . 1 . 1 6 6 ARG HA H 1 5.222 0.01 . 1 . . . . A 19 ARG HA . 36323 1 45 . 1 . 1 6 6 ARG HB2 H 1 1.741 0.01 . . . . . . A 19 ARG HB2 . 36323 1 46 . 1 . 1 6 6 ARG HB3 H 1 1.168 0.012 . . . . . . A 19 ARG HB3 . 36323 1 47 . 1 . 1 6 6 ARG HG2 H 1 1.287 0.014 . . . . . . A 19 ARG HG2 . 36323 1 48 . 1 . 1 6 6 ARG HD2 H 1 3.537 0.005 . . . . . . A 19 ARG HD2 . 36323 1 49 . 1 . 1 6 6 ARG C C 13 171.579 0.019 . 1 . . . . A 19 ARG C . 36323 1 50 . 1 . 1 6 6 ARG CA C 13 50.645 0.093 . 1 . . . . A 19 ARG CA . 36323 1 51 . 1 . 1 6 6 ARG CB C 13 34.588 0.095 . 1 . . . . A 19 ARG CB . 36323 1 52 . 1 . 1 6 6 ARG N N 15 127.278 0.039 . 1 . . . . A 19 ARG N . 36323 1 53 . 1 . 1 7 7 TYR H H 1 8.736 0.007 . 1 . . . . A 20 TYR H . 36323 1 54 . 1 . 1 7 7 TYR HA H 1 4.797 0.021 . 1 . . . . A 20 TYR HA . 36323 1 55 . 1 . 1 7 7 TYR HB2 H 1 3.068 0.027 . . . . . . A 20 TYR HB2 . 36323 1 56 . 1 . 1 7 7 TYR HB3 H 1 2.741 0.02 . . . . . . A 20 TYR HB3 . 36323 1 57 . 1 . 1 7 7 TYR HD1 H 1 6.899 0.027 . . . . . . A 20 TYR HD1 . 36323 1 58 . 1 . 1 7 7 TYR HE1 H 1 6.579 0.016 . . . . . . A 20 TYR HE1 . 36323 1 59 . 1 . 1 7 7 TYR C C 13 172.913 0.007 . 1 . . . . A 20 TYR C . 36323 1 60 . 1 . 1 7 7 TYR CA C 13 54.922 0.038 . 1 . . . . A 20 TYR CA . 36323 1 61 . 1 . 1 7 7 TYR CB C 13 38.618 0.041 . 1 . . . . A 20 TYR CB . 36323 1 62 . 1 . 1 7 7 TYR N N 15 116.913 0.05 . 1 . . . . A 20 TYR N . 36323 1 63 . 1 . 1 8 8 LEU H H 1 10.63 0.013 . 1 . . . . A 21 LEU H . 36323 1 64 . 1 . 1 8 8 LEU HA H 1 4.783 0.013 . 1 . . . . A 21 LEU HA . 36323 1 65 . 1 . 1 8 8 LEU HB2 H 1 1.332 0.009 . . . . . . A 21 LEU HB2 . 36323 1 66 . 1 . 1 8 8 LEU HB3 H 1 0.967 0.017 . . . . . . A 21 LEU HB3 . 36323 1 67 . 1 . 1 8 8 LEU HG H 1 1.193 0.01 . 1 . . . . A 21 LEU HG . 36323 1 68 . 1 . 1 8 8 LEU HD11 H 1 0.414 0.011 . . . . . . A 21 LEU HD11 . 36323 1 69 . 1 . 1 8 8 LEU HD12 H 1 0.414 0.011 . . . . . . A 21 LEU HD12 . 36323 1 70 . 1 . 1 8 8 LEU HD13 H 1 0.414 0.011 . . . . . . A 21 LEU HD13 . 36323 1 71 . 1 . 1 8 8 LEU HD21 H 1 0.017 0.006 . . . . . . A 21 LEU HD21 . 36323 1 72 . 1 . 1 8 8 LEU HD22 H 1 0.017 0.006 . . . . . . A 21 LEU HD22 . 36323 1 73 . 1 . 1 8 8 LEU HD23 H 1 0.017 0.006 . . . . . . A 21 LEU HD23 . 36323 1 74 . 1 . 1 8 8 LEU C C 13 171.591 0 . 1 . . . . A 21 LEU C . 36323 1 75 . 1 . 1 8 8 LEU CA C 13 52.142 0.042 . 1 . . . . A 21 LEU CA . 36323 1 76 . 1 . 1 8 8 LEU CB C 13 40.014 0.095 . 1 . . . . A 21 LEU CB . 36323 1 77 . 1 . 1 8 8 LEU CG C 13 25.343 0.053 . 1 . . . . A 21 LEU CG . 36323 1 78 . 1 . 1 8 8 LEU CD1 C 13 20.672 0.041 . . . . . . A 21 LEU CD1 . 36323 1 79 . 1 . 1 8 8 LEU CD2 C 13 21.73 0.053 . . . . . . A 21 LEU CD2 . 36323 1 80 . 1 . 1 8 8 LEU N N 15 126.565 0.069 . 1 . . . . A 21 LEU N . 36323 1 81 . 1 . 1 9 9 TYR H H 1 8.206 0.012 . 1 . . . . A 22 TYR H . 36323 1 82 . 1 . 1 9 9 TYR HA H 1 5.15 0.018 . 1 . . . . A 22 TYR HA . 36323 1 83 . 1 . 1 9 9 TYR HB2 H 1 3.151 0.017 . . . . . . A 22 TYR HB2 . 36323 1 84 . 1 . 1 9 9 TYR HB3 H 1 2.844 0.019 . . . . . . A 22 TYR HB3 . 36323 1 85 . 1 . 1 9 9 TYR HD1 H 1 6.496 0.025 . . . . . . A 22 TYR HD1 . 36323 1 86 . 1 . 1 9 9 TYR HE1 H 1 6.573 0.006 . . . . . . A 22 TYR HE1 . 36323 1 87 . 1 . 1 9 9 TYR C C 13 171.869 0.002 . 1 . . . . A 22 TYR C . 36323 1 88 . 1 . 1 9 9 TYR CA C 13 54.057 0.067 . 1 . . . . A 22 TYR CA . 36323 1 89 . 1 . 1 9 9 TYR CB C 13 39.434 0.08 . 1 . . . . A 22 TYR CB . 36323 1 90 . 1 . 1 9 9 TYR N N 15 126.272 0.067 . 1 . . . . A 22 TYR N . 36323 1 91 . 1 . 1 10 10 THR H H 1 8.607 0.003 . 1 . . . . A 23 THR H . 36323 1 92 . 1 . 1 10 10 THR HA H 1 4.659 0.019 . 1 . . . . A 23 THR HA . 36323 1 93 . 1 . 1 10 10 THR HB H 1 3.428 0.009 . 1 . . . . A 23 THR HB . 36323 1 94 . 1 . 1 10 10 THR HG21 H 1 0.782 0.006 . 1 . . . . A 23 THR HG21 . 36323 1 95 . 1 . 1 10 10 THR HG22 H 1 0.782 0.006 . 1 . . . . A 23 THR HG22 . 36323 1 96 . 1 . 1 10 10 THR HG23 H 1 0.782 0.006 . 1 . . . . A 23 THR HG23 . 36323 1 97 . 1 . 1 10 10 THR C C 13 179.353 0.014 . 1 . . . . A 23 THR C . 36323 1 98 . 1 . 1 10 10 THR CA C 13 57.526 0.039 . 1 . . . . A 23 THR CA . 36323 1 99 . 1 . 1 10 10 THR CB C 13 68.12 0.086 . 1 . . . . A 23 THR CB . 36323 1 100 . 1 . 1 10 10 THR CG2 C 13 17.099 0.011 . 1 . . . . A 23 THR CG2 . 36323 1 101 . 1 . 1 10 10 THR N N 15 122.227 0.031 . 1 . . . . A 23 THR N . 36323 1 102 . 1 . 1 11 11 ASP H H 1 7.956 0.003 . 1 . . . . A 24 ASP H . 36323 1 103 . 1 . 1 11 11 ASP HA H 1 4.535 0.019 . 1 . . . . A 24 ASP HA . 36323 1 104 . 1 . 1 11 11 ASP HB2 H 1 2.694 0.003 . . . . . . A 24 ASP HB2 . 36323 1 105 . 1 . 1 11 11 ASP HB3 H 1 2.534 0.006 . . . . . . A 24 ASP HB3 . 36323 1 106 . 1 . 1 11 11 ASP C C 13 173.618 0 . 1 . . . . A 24 ASP C . 36323 1 107 . 1 . 1 11 11 ASP CA C 13 50.856 0.087 . 1 . . . . A 24 ASP CA . 36323 1 108 . 1 . 1 11 11 ASP CB C 13 39.026 0 . 1 . . . . A 24 ASP CB . 36323 1 109 . 1 . 1 11 11 ASP N N 15 123.676 0.073 . 1 . . . . A 24 ASP N . 36323 1 110 . 1 . 1 12 12 ASP H H 1 8.095 0.01 . 1 . . . . A 25 ASP H . 36323 1 111 . 1 . 1 12 12 ASP HA H 1 4.449 0.013 . 1 . . . . A 25 ASP HA . 36323 1 112 . 1 . 1 12 12 ASP HB2 H 1 2.513 0.003 . . . . . . A 25 ASP HB2 . 36323 1 113 . 1 . 1 12 12 ASP C C 13 173.341 0.03 . 1 . . . . A 25 ASP C . 36323 1 114 . 1 . 1 12 12 ASP CA C 13 52.245 0.038 . 1 . . . . A 25 ASP CA . 36323 1 115 . 1 . 1 12 12 ASP CB C 13 39.552 0.006 . 1 . . . . A 25 ASP CB . 36323 1 116 . 1 . 1 12 12 ASP N N 15 121.332 0.041 . 1 . . . . A 25 ASP N . 36323 1 117 . 1 . 1 13 13 ALA H H 1 8.046 0.008 . 1 . . . . A 26 ALA H . 36323 1 118 . 1 . 1 13 13 ALA HA H 1 4.174 0.009 . 1 . . . . A 26 ALA HA . 36323 1 119 . 1 . 1 13 13 ALA HB1 H 1 1.25 0.005 . 1 . . . . A 26 ALA HB1 . 36323 1 120 . 1 . 1 13 13 ALA HB2 H 1 1.25 0.005 . 1 . . . . A 26 ALA HB2 . 36323 1 121 . 1 . 1 13 13 ALA HB3 H 1 1.25 0.005 . 1 . . . . A 26 ALA HB3 . 36323 1 122 . 1 . 1 13 13 ALA C C 13 174.755 0.024 . 1 . . . . A 26 ALA C . 36323 1 123 . 1 . 1 13 13 ALA CA C 13 50.398 0.037 . 1 . . . . A 26 ALA CA . 36323 1 124 . 1 . 1 13 13 ALA CB C 13 17.043 0.071 . 1 . . . . A 26 ALA CB . 36323 1 125 . 1 . 1 13 13 ALA N N 15 123.42 0.053 . 1 . . . . A 26 ALA N . 36323 1 126 . 1 . 1 14 14 GLN H H 1 8.341 0.008 . 1 . . . . A 27 GLN H . 36323 1 127 . 1 . 1 14 14 GLN HA H 1 4.692 0.004 . 1 . . . . A 27 GLN HA . 36323 1 128 . 1 . 1 14 14 GLN HB2 H 1 2.178 0.017 . . . . . . A 27 GLN HB2 . 36323 1 129 . 1 . 1 14 14 GLN HB3 H 1 1.958 0 . . . . . . A 27 GLN HB3 . 36323 1 130 . 1 . 1 14 14 GLN C C 13 173.498 0 . 1 . . . . A 27 GLN C . 36323 1 131 . 1 . 1 14 14 GLN CA C 13 54.312 0.01 . 1 . . . . A 27 GLN CA . 36323 1 132 . 1 . 1 14 14 GLN CB C 13 26.318 0 . 1 . . . . A 27 GLN CB . 36323 1 133 . 1 . 1 14 14 GLN N N 15 116.656 0.038 . 1 . . . . A 27 GLN N . 36323 1 134 . 1 . 1 15 15 GLN HA H 1 4.222 0 . 1 . . . . A 28 GLN HA . 36323 1 135 . 1 . 1 15 15 GLN HB2 H 1 2.056 0.009 . . . . . . A 28 GLN HB2 . 36323 1 136 . 1 . 1 15 15 GLN CA C 13 54.37 0.095 . 1 . . . . A 28 GLN CA . 36323 1 137 . 1 . 1 15 15 GLN CB C 13 26.791 0.038 . 1 . . . . A 28 GLN CB . 36323 1 138 . 1 . 1 15 15 GLN CG C 13 31.537 0 . 1 . . . . A 28 GLN CG . 36323 1 139 . 1 . 1 16 16 THR H H 1 7.717 0.004 . 1 . . . . A 29 THR H . 36323 1 140 . 1 . 1 16 16 THR HA H 1 4.156 0.017 . 1 . . . . A 29 THR HA . 36323 1 141 . 1 . 1 16 16 THR HB H 1 4.679 0.006 . 1 . . . . A 29 THR HB . 36323 1 142 . 1 . 1 16 16 THR HG21 H 1 1.155 0.019 . 1 . . . . A 29 THR HG21 . 36323 1 143 . 1 . 1 16 16 THR HG22 H 1 1.155 0.019 . 1 . . . . A 29 THR HG22 . 36323 1 144 . 1 . 1 16 16 THR HG23 H 1 1.155 0.019 . 1 . . . . A 29 THR HG23 . 36323 1 145 . 1 . 1 16 16 THR CA C 13 60.326 0.056 . 1 . . . . A 29 THR CA . 36323 1 146 . 1 . 1 16 16 THR CB C 13 67.273 0.07 . 1 . . . . A 29 THR CB . 36323 1 147 . 1 . 1 16 16 THR N N 15 112.527 0.039 . 1 . . . . A 29 THR N . 36323 1 148 . 1 . 1 17 17 GLU H H 1 8.27 0.013 . 1 . . . . A 30 GLU H . 36323 1 149 . 1 . 1 17 17 GLU HB2 H 1 2.172 0 . . . . . . A 30 GLU HB2 . 36323 1 150 . 1 . 1 17 17 GLU N N 15 122.273 0.049 . 1 . . . . A 30 GLU N . 36323 1 151 . 1 . 1 18 18 ALA H H 1 8.057 0 . 1 . . . . A 31 ALA H . 36323 1 152 . 1 . 1 18 18 ALA HA H 1 4.329 0.015 . 1 . . . . A 31 ALA HA . 36323 1 153 . 1 . 1 18 18 ALA HB1 H 1 1.014 0.013 . 1 . . . . A 31 ALA HB1 . 36323 1 154 . 1 . 1 18 18 ALA HB2 H 1 1.014 0.013 . 1 . . . . A 31 ALA HB2 . 36323 1 155 . 1 . 1 18 18 ALA HB3 H 1 1.014 0.013 . 1 . . . . A 31 ALA HB3 . 36323 1 156 . 1 . 1 18 18 ALA C C 13 172.052 0 . 1 . . . . A 31 ALA C . 36323 1 157 . 1 . 1 18 18 ALA CA C 13 49.971 0.089 . 1 . . . . A 31 ALA CA . 36323 1 158 . 1 . 1 18 18 ALA CB C 13 20.227 0.058 . 1 . . . . A 31 ALA CB . 36323 1 159 . 1 . 1 19 19 HIS H H 1 8.825 0.009 . 1 . . . . A 32 HIS H . 36323 1 160 . 1 . 1 19 19 HIS HA H 1 5.506 0.007 . 1 . . . . A 32 HIS HA . 36323 1 161 . 1 . 1 19 19 HIS HB2 H 1 3.406 0.02 . . . . . . A 32 HIS HB2 . 36323 1 162 . 1 . 1 19 19 HIS HB3 H 1 3.078 0.012 . . . . . . A 32 HIS HB3 . 36323 1 163 . 1 . 1 19 19 HIS HD2 H 1 7.529 0.002 . 1 . . . . A 32 HIS HD2 . 36323 1 164 . 1 . 1 19 19 HIS C C 13 173.315 0.044 . 1 . . . . A 32 HIS C . 36323 1 165 . 1 . 1 19 19 HIS CA C 13 53.266 0.069 . 1 . . . . A 32 HIS CA . 36323 1 166 . 1 . 1 19 19 HIS CB C 13 27.225 0.071 . 1 . . . . A 32 HIS CB . 36323 1 167 . 1 . 1 19 19 HIS N N 15 115.763 0.051 . 1 . . . . A 32 HIS N . 36323 1 168 . 1 . 1 20 20 LEU H H 1 8.42 0.007 . 1 . . . . A 33 LEU H . 36323 1 169 . 1 . 1 20 20 LEU HA H 1 4.167 0.017 . 1 . . . . A 33 LEU HA . 36323 1 170 . 1 . 1 20 20 LEU HB2 H 1 1.733 0.026 . . . . . . A 33 LEU HB2 . 36323 1 171 . 1 . 1 20 20 LEU HB3 H 1 1.281 0.018 . . . . . . A 33 LEU HB3 . 36323 1 172 . 1 . 1 20 20 LEU HG H 1 1.348 0.012 . 1 . . . . A 33 LEU HG . 36323 1 173 . 1 . 1 20 20 LEU HD11 H 1 0.46 0.007 . . . . . . A 33 LEU HD11 . 36323 1 174 . 1 . 1 20 20 LEU HD12 H 1 0.46 0.007 . . . . . . A 33 LEU HD12 . 36323 1 175 . 1 . 1 20 20 LEU HD13 H 1 0.46 0.007 . . . . . . A 33 LEU HD13 . 36323 1 176 . 1 . 1 20 20 LEU HD21 H 1 0.542 0.019 . . . . . . A 33 LEU HD21 . 36323 1 177 . 1 . 1 20 20 LEU HD22 H 1 0.542 0.019 . . . . . . A 33 LEU HD22 . 36323 1 178 . 1 . 1 20 20 LEU HD23 H 1 0.542 0.019 . . . . . . A 33 LEU HD23 . 36323 1 179 . 1 . 1 20 20 LEU C C 13 171.685 0.007 . 1 . . . . A 33 LEU C . 36323 1 180 . 1 . 1 20 20 LEU CA C 13 55.436 0.094 . 1 . . . . A 33 LEU CA . 36323 1 181 . 1 . 1 20 20 LEU CB C 13 40.721 0.097 . 1 . . . . A 33 LEU CB . 36323 1 182 . 1 . 1 20 20 LEU CG C 13 25.678 0 . 1 . . . . A 33 LEU CG . 36323 1 183 . 1 . 1 20 20 LEU CD1 C 13 23.542 0.077 . . . . . . A 33 LEU CD1 . 36323 1 184 . 1 . 1 20 20 LEU CD2 C 13 23.219 0.099 . . . . . . A 33 LEU CD2 . 36323 1 185 . 1 . 1 20 20 LEU N N 15 125.245 0.044 . 1 . . . . A 33 LEU N . 36323 1 186 . 1 . 1 21 21 GLU H H 1 8.971 0.014 . 1 . . . . A 34 GLU H . 36323 1 187 . 1 . 1 21 21 GLU HA H 1 4.45 0.008 . 1 . . . . A 34 GLU HA . 36323 1 188 . 1 . 1 21 21 GLU HB2 H 1 1.662 0.019 . . . . . . A 34 GLU HB2 . 36323 1 189 . 1 . 1 21 21 GLU HG2 H 1 1.979 0.012 . . . . . . A 34 GLU HG2 . 36323 1 190 . 1 . 1 21 21 GLU C C 13 171.322 0.001 . 1 . . . . A 34 GLU C . 36323 1 191 . 1 . 1 21 21 GLU CA C 13 53.207 0.039 . 1 . . . . A 34 GLU CA . 36323 1 192 . 1 . 1 21 21 GLU CB C 13 31.297 0.065 . 1 . . . . A 34 GLU CB . 36323 1 193 . 1 . 1 21 21 GLU CG C 13 36.157 0 . 1 . . . . A 34 GLU CG . 36323 1 194 . 1 . 1 21 21 GLU N N 15 126.559 0.044 . 1 . . . . A 34 GLU N . 36323 1 195 . 1 . 1 22 22 ILE H H 1 7.637 0.013 . 1 . . . . A 35 ILE H . 36323 1 196 . 1 . 1 22 22 ILE HA H 1 4.13 0.012 . 1 . . . . A 35 ILE HA . 36323 1 197 . 1 . 1 22 22 ILE HB H 1 1.576 0.017 . 1 . . . . A 35 ILE HB . 36323 1 198 . 1 . 1 22 22 ILE HG12 H 1 1.358 0.016 . . . . . . A 35 ILE HG12 . 36323 1 199 . 1 . 1 22 22 ILE HG13 H 1 0.574 0.016 . . . . . . A 35 ILE HG13 . 36323 1 200 . 1 . 1 22 22 ILE HG21 H 1 0.649 0.008 . 1 . . . . A 35 ILE HG21 . 36323 1 201 . 1 . 1 22 22 ILE HG22 H 1 0.649 0.008 . 1 . . . . A 35 ILE HG22 . 36323 1 202 . 1 . 1 22 22 ILE HG23 H 1 0.649 0.008 . 1 . . . . A 35 ILE HG23 . 36323 1 203 . 1 . 1 22 22 ILE HD11 H 1 0.522 0.007 . 1 . . . . A 35 ILE HD11 . 36323 1 204 . 1 . 1 22 22 ILE HD12 H 1 0.522 0.007 . 1 . . . . A 35 ILE HD12 . 36323 1 205 . 1 . 1 22 22 ILE HD13 H 1 0.522 0.007 . 1 . . . . A 35 ILE HD13 . 36323 1 206 . 1 . 1 22 22 ILE C C 13 172.411 0 . 1 . . . . A 35 ILE C . 36323 1 207 . 1 . 1 22 22 ILE CA C 13 59.306 0.042 . 1 . . . . A 35 ILE CA . 36323 1 208 . 1 . 1 22 22 ILE CB C 13 37.04 0.096 . 1 . . . . A 35 ILE CB . 36323 1 209 . 1 . 1 22 22 ILE CG1 C 13 25.148 0.02 . 1 . . . . A 35 ILE CG1 . 36323 1 210 . 1 . 1 22 22 ILE CG2 C 13 15.981 0.061 . 1 . . . . A 35 ILE CG2 . 36323 1 211 . 1 . 1 22 22 ILE CD1 C 13 12.908 0.04 . 1 . . . . A 35 ILE CD1 . 36323 1 212 . 1 . 1 22 22 ILE N N 15 125.889 0.044 . 1 . . . . A 35 ILE N . 36323 1 213 . 1 . 1 23 23 ARG H H 1 8.006 0.013 . 1 . . . . A 36 ARG H . 36323 1 214 . 1 . 1 23 23 ARG HA H 1 4.283 0.003 . 1 . . . . A 36 ARG HA . 36323 1 215 . 1 . 1 23 23 ARG HB2 H 1 1.949 0.007 . . . . . . A 36 ARG HB2 . 36323 1 216 . 1 . 1 23 23 ARG HG2 H 1 1.455 0.006 . . . . . . A 36 ARG HG2 . 36323 1 217 . 1 . 1 23 23 ARG HG3 H 1 1.358 0.024 . . . . . . A 36 ARG HG3 . 36323 1 218 . 1 . 1 23 23 ARG HD2 H 1 2.927 0.011 . . . . . . A 36 ARG HD2 . 36323 1 219 . 1 . 1 23 23 ARG C C 13 175.942 0.012 . 1 . . . . A 36 ARG C . 36323 1 220 . 1 . 1 23 23 ARG CA C 13 55.231 0.073 . 1 . . . . A 36 ARG CA . 36323 1 221 . 1 . 1 23 23 ARG CB C 13 29.541 0.055 . 1 . . . . A 36 ARG CB . 36323 1 222 . 1 . 1 23 23 ARG CG C 13 27.946 0 . 1 . . . . A 36 ARG CG . 36323 1 223 . 1 . 1 23 23 ARG CD C 13 41.094 0 . 1 . . . . A 36 ARG CD . 36323 1 224 . 1 . 1 23 23 ARG N N 15 123.017 0.052 . 1 . . . . A 36 ARG N . 36323 1 225 . 1 . 1 24 24 GLU H H 1 8.789 0.01 . 1 . . . . A 37 GLU H . 36323 1 226 . 1 . 1 24 24 GLU HA H 1 3.946 0.008 . 1 . . . . A 37 GLU HA . 36323 1 227 . 1 . 1 24 24 GLU HB2 H 1 1.979 0.01 . . . . . . A 37 GLU HB2 . 36323 1 228 . 1 . 1 24 24 GLU HG2 H 1 2.252 0.008 . . . . . . A 37 GLU HG2 . 36323 1 229 . 1 . 1 24 24 GLU C C 13 172.915 0.008 . 1 . . . . A 37 GLU C . 36323 1 230 . 1 . 1 24 24 GLU CA C 13 56.316 0.089 . 1 . . . . A 37 GLU CA . 36323 1 231 . 1 . 1 24 24 GLU CB C 13 27.474 0.107 . 1 . . . . A 37 GLU CB . 36323 1 232 . 1 . 1 24 24 GLU CG C 13 33.454 0.048 . 1 . . . . A 37 GLU CG . 36323 1 233 . 1 . 1 24 24 GLU N N 15 119.588 0.049 . 1 . . . . A 37 GLU N . 36323 1 234 . 1 . 1 25 25 ASP H H 1 7.499 0.005 . 1 . . . . A 38 ASP H . 36323 1 235 . 1 . 1 25 25 ASP HA H 1 4.502 0.015 . 1 . . . . A 38 ASP HA . 36323 1 236 . 1 . 1 25 25 ASP HB2 H 1 3.044 0.014 . . . . . . A 38 ASP HB2 . 36323 1 237 . 1 . 1 25 25 ASP HB3 H 1 2.544 0.006 . . . . . . A 38 ASP HB3 . 36323 1 238 . 1 . 1 25 25 ASP C C 13 175.079 0.002 . 1 . . . . A 38 ASP C . 36323 1 239 . 1 . 1 25 25 ASP CA C 13 50.39 0.041 . 1 . . . . A 38 ASP CA . 36323 1 240 . 1 . 1 25 25 ASP CB C 13 38.118 0.023 . 1 . . . . A 38 ASP CB . 36323 1 241 . 1 . 1 25 25 ASP N N 15 113.896 0.034 . 1 . . . . A 38 ASP N . 36323 1 242 . 1 . 1 26 26 GLY H H 1 7.862 0.008 . 1 . . . . A 39 GLY H . 36323 1 243 . 1 . 1 26 26 GLY HA2 H 1 4.493 0.016 . . . . . . A 39 GLY HA2 . 36323 1 244 . 1 . 1 26 26 GLY HA3 H 1 3.816 0.01 . . . . . . A 39 GLY HA3 . 36323 1 245 . 1 . 1 26 26 GLY C C 13 172.589 0.001 . 1 . . . . A 39 GLY C . 36323 1 246 . 1 . 1 26 26 GLY CA C 13 44.239 0.057 . 1 . . . . A 39 GLY CA . 36323 1 247 . 1 . 1 26 26 GLY N N 15 107.399 0.037 . 1 . . . . A 39 GLY N . 36323 1 248 . 1 . 1 27 27 THR H H 1 8.101 0.003 . 1 . . . . A 40 THR H . 36323 1 249 . 1 . 1 27 27 THR HA H 1 4.723 0.008 . 1 . . . . A 40 THR HA . 36323 1 250 . 1 . 1 27 27 THR HB H 1 4.205 0.007 . 1 . . . . A 40 THR HB . 36323 1 251 . 1 . 1 27 27 THR HG21 H 1 1.153 0.006 . 1 . . . . A 40 THR HG21 . 36323 1 252 . 1 . 1 27 27 THR HG22 H 1 1.153 0.006 . 1 . . . . A 40 THR HG22 . 36323 1 253 . 1 . 1 27 27 THR HG23 H 1 1.153 0.006 . 1 . . . . A 40 THR HG23 . 36323 1 254 . 1 . 1 27 27 THR C C 13 170.794 0 . 1 . . . . A 40 THR C . 36323 1 255 . 1 . 1 27 27 THR CA C 13 59.772 0.066 . 1 . . . . A 40 THR CA . 36323 1 256 . 1 . 1 27 27 THR CB C 13 69.278 0.096 . 1 . . . . A 40 THR CB . 36323 1 257 . 1 . 1 27 27 THR CG2 C 13 19.642 0.103 . 1 . . . . A 40 THR CG2 . 36323 1 258 . 1 . 1 27 27 THR N N 15 113.628 0.044 . 1 . . . . A 40 THR N . 36323 1 259 . 1 . 1 28 28 VAL H H 1 8.292 0.014 . 1 . . . . A 41 VAL H . 36323 1 260 . 1 . 1 28 28 VAL HA H 1 4.88 0.012 . 1 . . . . A 41 VAL HA . 36323 1 261 . 1 . 1 28 28 VAL HB H 1 1.587 0.01 . 1 . . . . A 41 VAL HB . 36323 1 262 . 1 . 1 28 28 VAL HG11 H 1 0.768 0.009 . . . . . . A 41 VAL HG11 . 36323 1 263 . 1 . 1 28 28 VAL HG12 H 1 0.768 0.009 . . . . . . A 41 VAL HG12 . 36323 1 264 . 1 . 1 28 28 VAL HG13 H 1 0.768 0.009 . . . . . . A 41 VAL HG13 . 36323 1 265 . 1 . 1 28 28 VAL HG21 H 1 0.661 0.008 . . . . . . A 41 VAL HG21 . 36323 1 266 . 1 . 1 28 28 VAL HG22 H 1 0.661 0.008 . . . . . . A 41 VAL HG22 . 36323 1 267 . 1 . 1 28 28 VAL HG23 H 1 0.661 0.008 . . . . . . A 41 VAL HG23 . 36323 1 268 . 1 . 1 28 28 VAL C C 13 172.862 0.006 . 1 . . . . A 41 VAL C . 36323 1 269 . 1 . 1 28 28 VAL CA C 13 58.071 0.051 . 1 . . . . A 41 VAL CA . 36323 1 270 . 1 . 1 28 28 VAL CB C 13 33.029 0.098 . 1 . . . . A 41 VAL CB . 36323 1 271 . 1 . 1 28 28 VAL CG1 C 13 19.013 0.011 . . . . . . A 41 VAL CG1 . 36323 1 272 . 1 . 1 28 28 VAL CG2 C 13 19.162 0.046 . . . . . . A 41 VAL CG2 . 36323 1 273 . 1 . 1 28 28 VAL N N 15 120.734 0.035 . 1 . . . . A 41 VAL N . 36323 1 274 . 1 . 1 29 29 GLY H H 1 8.503 0.005 . 1 . . . . A 42 GLY H . 36323 1 275 . 1 . 1 29 29 GLY HA2 H 1 4.207 0.007 . . . . . . A 42 GLY HA2 . 36323 1 276 . 1 . 1 29 29 GLY HA3 H 1 3.821 0.011 . . . . . . A 42 GLY HA3 . 36323 1 277 . 1 . 1 29 29 GLY C C 13 178.917 0.008 . 1 . . . . A 42 GLY C . 36323 1 278 . 1 . 1 29 29 GLY CA C 13 43.271 0.062 . 1 . . . . A 42 GLY CA . 36323 1 279 . 1 . 1 29 29 GLY N N 15 113.902 0.038 . 1 . . . . A 42 GLY N . 36323 1 280 . 1 . 1 30 30 GLY H H 1 8.451 0.011 . 1 . . . . A 43 GLY H . 36323 1 281 . 1 . 1 30 30 GLY HA2 H 1 5.068 0.017 . . . . . . A 43 GLY HA2 . 36323 1 282 . 1 . 1 30 30 GLY HA3 H 1 3.316 0.016 . . . . . . A 43 GLY HA3 . 36323 1 283 . 1 . 1 30 30 GLY C C 13 170.144 0.004 . 1 . . . . A 43 GLY C . 36323 1 284 . 1 . 1 30 30 GLY CA C 13 42.243 0.069 . 1 . . . . A 43 GLY CA . 36323 1 285 . 1 . 1 30 30 GLY N N 15 108.848 0.053 . 1 . . . . A 43 GLY N . 36323 1 286 . 1 . 1 31 31 ALA H H 1 9.408 0.008 . 1 . . . . A 44 ALA H . 36323 1 287 . 1 . 1 31 31 ALA HA H 1 4.805 0.012 . 1 . . . . A 44 ALA HA . 36323 1 288 . 1 . 1 31 31 ALA HB1 H 1 1.553 0.008 . 1 . . . . A 44 ALA HB1 . 36323 1 289 . 1 . 1 31 31 ALA HB2 H 1 1.553 0.008 . 1 . . . . A 44 ALA HB2 . 36323 1 290 . 1 . 1 31 31 ALA HB3 H 1 1.553 0.008 . 1 . . . . A 44 ALA HB3 . 36323 1 291 . 1 . 1 31 31 ALA C C 13 175.595 0 . 1 . . . . A 44 ALA C . 36323 1 292 . 1 . 1 31 31 ALA CA C 13 48.646 0.016 . 1 . . . . A 44 ALA CA . 36323 1 293 . 1 . 1 31 31 ALA CB C 13 19.924 0.066 . 1 . . . . A 44 ALA CB . 36323 1 294 . 1 . 1 31 31 ALA N N 15 126.659 0.028 . 1 . . . . A 44 ALA N . 36323 1 295 . 1 . 1 32 32 ALA H H 1 9.128 0.012 . 1 . . . . A 45 ALA H . 36323 1 296 . 1 . 1 32 32 ALA HA H 1 4.378 0.008 . 1 . . . . A 45 ALA HA . 36323 1 297 . 1 . 1 32 32 ALA HB1 H 1 1.481 0.019 . 1 . . . . A 45 ALA HB1 . 36323 1 298 . 1 . 1 32 32 ALA HB2 H 1 1.481 0.019 . 1 . . . . A 45 ALA HB2 . 36323 1 299 . 1 . 1 32 32 ALA HB3 H 1 1.481 0.019 . 1 . . . . A 45 ALA HB3 . 36323 1 300 . 1 . 1 32 32 ALA C C 13 174.737 0.002 . 1 . . . . A 45 ALA C . 36323 1 301 . 1 . 1 32 32 ALA CA C 13 52.443 0.072 . 1 . . . . A 45 ALA CA . 36323 1 302 . 1 . 1 32 32 ALA CB C 13 16.94 0.06 . 1 . . . . A 45 ALA CB . 36323 1 303 . 1 . 1 33 33 ASP H H 1 8.07 0.007 . 1 . . . . A 46 ASP H . 36323 1 304 . 1 . 1 33 33 ASP HA H 1 4.624 0.015 . 1 . . . . A 46 ASP HA . 36323 1 305 . 1 . 1 33 33 ASP HB2 H 1 2.454 0.016 . . . . . . A 46 ASP HB2 . 36323 1 306 . 1 . 1 33 33 ASP HB3 H 1 2.363 0 . . . . . . A 46 ASP HB3 . 36323 1 307 . 1 . 1 33 33 ASP C C 13 172.012 0.015 . 1 . . . . A 46 ASP C . 36323 1 308 . 1 . 1 33 33 ASP CA C 13 49.22 0.049 . 1 . . . . A 46 ASP CA . 36323 1 309 . 1 . 1 33 33 ASP CB C 13 40.268 0.02 . 1 . . . . A 46 ASP CB . 36323 1 310 . 1 . 1 33 33 ASP N N 15 115.385 0.052 . 1 . . . . A 46 ASP N . 36323 1 311 . 1 . 1 34 34 GLN H H 1 7.782 0.006 . 1 . . . . A 47 GLN H . 36323 1 312 . 1 . 1 34 34 GLN HA H 1 3.313 0.006 . 1 . . . . A 47 GLN HA . 36323 1 313 . 1 . 1 34 34 GLN HB2 H 1 1.253 0.017 . . . . . . A 47 GLN HB2 . 36323 1 314 . 1 . 1 34 34 GLN HB3 H 1 0.906 0.01 . . . . . . A 47 GLN HB3 . 36323 1 315 . 1 . 1 34 34 GLN HG2 H 1 1.388 0.014 . . . . . . A 47 GLN HG2 . 36323 1 316 . 1 . 1 34 34 GLN HG3 H 1 0.643 0.018 . . . . . . A 47 GLN HG3 . 36323 1 317 . 1 . 1 34 34 GLN HE21 H 1 6.441 0.003 . . . . . . A 47 GLN HE21 . 36323 1 318 . 1 . 1 34 34 GLN HE22 H 1 6.132 0.007 . . . . . . A 47 GLN HE22 . 36323 1 319 . 1 . 1 34 34 GLN C C 13 172.707 0.009 . 1 . . . . A 47 GLN C . 36323 1 320 . 1 . 1 34 34 GLN CA C 13 52.264 0.068 . 1 . . . . A 47 GLN CA . 36323 1 321 . 1 . 1 34 34 GLN CB C 13 23.243 0.061 . 1 . . . . A 47 GLN CB . 36323 1 322 . 1 . 1 34 34 GLN CG C 13 30.767 0.033 . 1 . . . . A 47 GLN CG . 36323 1 323 . 1 . 1 34 34 GLN N N 15 117.845 0.026 . 1 . . . . A 47 GLN N . 36323 1 324 . 1 . 1 34 34 GLN NE2 N 15 108.593 0.02 . 1 . . . . A 47 GLN NE2 . 36323 1 325 . 1 . 1 35 35 SER H H 1 7.643 0.009 . 1 . . . . A 48 SER H . 36323 1 326 . 1 . 1 35 35 SER HA H 1 4.649 0.017 . 1 . . . . A 48 SER HA . 36323 1 327 . 1 . 1 35 35 SER HB2 H 1 3.816 0.002 . . . . . . A 48 SER HB2 . 36323 1 328 . 1 . 1 35 35 SER C C 13 172.402 0 . 1 . . . . A 48 SER C . 36323 1 329 . 1 . 1 35 35 SER CA C 13 54.101 0.039 . 1 . . . . A 48 SER CA . 36323 1 330 . 1 . 1 35 35 SER CB C 13 61.349 0.032 . 1 . . . . A 48 SER CB . 36323 1 331 . 1 . 1 35 35 SER N N 15 121.312 0.035 . 1 . . . . A 48 SER N . 36323 1 332 . 1 . 1 36 36 PRO HA H 1 4.407 0.015 . 1 . . . . A 49 PRO HA . 36323 1 333 . 1 . 1 36 36 PRO HB2 H 1 2.378 0.011 . . . . . . A 49 PRO HB2 . 36323 1 334 . 1 . 1 36 36 PRO HB3 H 1 1.766 0.009 . . . . . . A 49 PRO HB3 . 36323 1 335 . 1 . 1 36 36 PRO HG2 H 1 1.955 0 . . . . . . A 49 PRO HG2 . 36323 1 336 . 1 . 1 36 36 PRO HD2 H 1 4.722 0 . . . . . . A 49 PRO HD2 . 36323 1 337 . 1 . 1 36 36 PRO C C 13 177.548 0 . 1 . . . . A 49 PRO C . 36323 1 338 . 1 . 1 36 36 PRO CA C 13 63.619 0.083 . 1 . . . . A 49 PRO CA . 36323 1 339 . 1 . 1 36 36 PRO CB C 13 29.664 0.058 . 1 . . . . A 49 PRO CB . 36323 1 340 . 1 . 1 36 36 PRO CG C 13 25.853 0 . 1 . . . . A 49 PRO CG . 36323 1 341 . 1 . 1 37 37 GLU H H 1 8.574 0.005 . 1 . . . . A 50 GLU H . 36323 1 342 . 1 . 1 37 37 GLU HA H 1 3.927 0.01 . 1 . . . . A 50 GLU HA . 36323 1 343 . 1 . 1 37 37 GLU HB2 H 1 2.344 0.017 . . . . . . A 50 GLU HB2 . 36323 1 344 . 1 . 1 37 37 GLU HB3 H 1 1.999 0 . . . . . . A 50 GLU HB3 . 36323 1 345 . 1 . 1 37 37 GLU HG2 H 1 2.549 0.012 . . . . . . A 50 GLU HG2 . 36323 1 346 . 1 . 1 37 37 GLU HG3 H 1 1.957 0.013 . . . . . . A 50 GLU HG3 . 36323 1 347 . 1 . 1 37 37 GLU C C 13 170.883 0.001 . 1 . . . . A 50 GLU C . 36323 1 348 . 1 . 1 37 37 GLU CA C 13 58.404 0.061 . 1 . . . . A 50 GLU CA . 36323 1 349 . 1 . 1 37 37 GLU CB C 13 25.997 0.069 . 1 . . . . A 50 GLU CB . 36323 1 350 . 1 . 1 37 37 GLU CG C 13 37.252 0.079 . 1 . . . . A 50 GLU CG . 36323 1 351 . 1 . 1 37 37 GLU N N 15 117.547 0.059 . 1 . . . . A 50 GLU N . 36323 1 352 . 1 . 1 38 38 SER H H 1 8.132 0.006 . 1 . . . . A 51 SER H . 36323 1 353 . 1 . 1 38 38 SER HA H 1 5.138 0.009 . 1 . . . . A 51 SER HA . 36323 1 354 . 1 . 1 38 38 SER HB2 H 1 4.343 0.012 . . . . . . A 51 SER HB2 . 36323 1 355 . 1 . 1 38 38 SER HB3 H 1 3.924 0.015 . . . . . . A 51 SER HB3 . 36323 1 356 . 1 . 1 38 38 SER HG H 1 4.708 0.008 . 1 . . . . A 51 SER HG . 36323 1 357 . 1 . 1 38 38 SER C C 13 170.61 0 . 1 . . . . A 51 SER C . 36323 1 358 . 1 . 1 38 38 SER CA C 13 56.044 0.023 . 1 . . . . A 51 SER CA . 36323 1 359 . 1 . 1 38 38 SER CB C 13 62.261 0.031 . 1 . . . . A 51 SER CB . 36323 1 360 . 1 . 1 38 38 SER N N 15 114.771 0.039 . 1 . . . . A 51 SER N . 36323 1 361 . 1 . 1 39 39 LEU H H 1 6.692 0.007 . 1 . . . . A 52 LEU H . 36323 1 362 . 1 . 1 39 39 LEU HA H 1 3.525 0.009 . 1 . . . . A 52 LEU HA . 36323 1 363 . 1 . 1 39 39 LEU HB2 H 1 1.701 0.015 . . . . . . A 52 LEU HB2 . 36323 1 364 . 1 . 1 39 39 LEU HB3 H 1 1.182 0.011 . . . . . . A 52 LEU HB3 . 36323 1 365 . 1 . 1 39 39 LEU HG H 1 0.996 0.012 . 1 . . . . A 52 LEU HG . 36323 1 366 . 1 . 1 39 39 LEU HD11 H 1 0.713 0.014 . . . . . . A 52 LEU HD11 . 36323 1 367 . 1 . 1 39 39 LEU HD12 H 1 0.713 0.014 . . . . . . A 52 LEU HD12 . 36323 1 368 . 1 . 1 39 39 LEU HD13 H 1 0.713 0.014 . . . . . . A 52 LEU HD13 . 36323 1 369 . 1 . 1 39 39 LEU HD21 H 1 0.254 0.011 . . . . . . A 52 LEU HD21 . 36323 1 370 . 1 . 1 39 39 LEU HD22 H 1 0.254 0.011 . . . . . . A 52 LEU HD22 . 36323 1 371 . 1 . 1 39 39 LEU HD23 H 1 0.254 0.011 . . . . . . A 52 LEU HD23 . 36323 1 372 . 1 . 1 39 39 LEU C C 13 172.877 0.018 . 1 . . . . A 52 LEU C . 36323 1 373 . 1 . 1 39 39 LEU CA C 13 53.575 0.089 . 1 . . . . A 52 LEU CA . 36323 1 374 . 1 . 1 39 39 LEU CB C 13 39.171 0.07 . 1 . . . . A 52 LEU CB . 36323 1 375 . 1 . 1 39 39 LEU CG C 13 24.673 0 . 1 . . . . A 52 LEU CG . 36323 1 376 . 1 . 1 39 39 LEU CD1 C 13 23.419 0.028 . . . . . . A 52 LEU CD1 . 36323 1 377 . 1 . 1 39 39 LEU CD2 C 13 19.712 0.025 . . . . . . A 52 LEU CD2 . 36323 1 378 . 1 . 1 39 39 LEU N N 15 121.611 0.05 . 1 . . . . A 52 LEU N . 36323 1 379 . 1 . 1 40 40 LEU H H 1 8.608 0.009 . 1 . . . . A 53 LEU H . 36323 1 380 . 1 . 1 40 40 LEU HA H 1 5.316 0.014 . 1 . . . . A 53 LEU HA . 36323 1 381 . 1 . 1 40 40 LEU HB2 H 1 1.484 0.007 . . . . . . A 53 LEU HB2 . 36323 1 382 . 1 . 1 40 40 LEU HB3 H 1 0.929 0.017 . . . . . . A 53 LEU HB3 . 36323 1 383 . 1 . 1 40 40 LEU HG H 1 2.053 0.008 . 1 . . . . A 53 LEU HG . 36323 1 384 . 1 . 1 40 40 LEU HD11 H 1 0.575 0.016 . . . . . . A 53 LEU HD11 . 36323 1 385 . 1 . 1 40 40 LEU HD12 H 1 0.575 0.016 . . . . . . A 53 LEU HD12 . 36323 1 386 . 1 . 1 40 40 LEU HD13 H 1 0.575 0.016 . . . . . . A 53 LEU HD13 . 36323 1 387 . 1 . 1 40 40 LEU HD21 H 1 0.441 0.01 . . . . . . A 53 LEU HD21 . 36323 1 388 . 1 . 1 40 40 LEU HD22 H 1 0.441 0.01 . . . . . . A 53 LEU HD22 . 36323 1 389 . 1 . 1 40 40 LEU HD23 H 1 0.441 0.01 . . . . . . A 53 LEU HD23 . 36323 1 390 . 1 . 1 40 40 LEU C C 13 173.504 0.004 . 1 . . . . A 53 LEU C . 36323 1 391 . 1 . 1 40 40 LEU CA C 13 50.988 0.06 . 1 . . . . A 53 LEU CA . 36323 1 392 . 1 . 1 40 40 LEU CB C 13 42.429 0.064 . 1 . . . . A 53 LEU CB . 36323 1 393 . 1 . 1 40 40 LEU CG C 13 23.769 0.041 . 1 . . . . A 53 LEU CG . 36323 1 394 . 1 . 1 40 40 LEU CD1 C 13 24.588 0.087 . . . . . . A 53 LEU CD1 . 36323 1 395 . 1 . 1 40 40 LEU CD2 C 13 19.883 0.029 . . . . . . A 53 LEU CD2 . 36323 1 396 . 1 . 1 40 40 LEU N N 15 130.339 0.036 . 1 . . . . A 53 LEU N . 36323 1 397 . 1 . 1 41 41 GLN H H 1 9.389 0.011 . 1 . . . . A 54 GLN H . 36323 1 398 . 1 . 1 41 41 GLN HA H 1 4.928 0.017 . 1 . . . . A 54 GLN HA . 36323 1 399 . 1 . 1 41 41 GLN HB2 H 1 1.653 0.011 . . . . . . A 54 GLN HB2 . 36323 1 400 . 1 . 1 41 41 GLN HG2 H 1 2.015 0.018 . . . . . . A 54 GLN HG2 . 36323 1 401 . 1 . 1 41 41 GLN HG3 H 1 1.875 0.015 . . . . . . A 54 GLN HG3 . 36323 1 402 . 1 . 1 41 41 GLN HE21 H 1 7.541 0.006 . . . . . . A 54 GLN HE21 . 36323 1 403 . 1 . 1 41 41 GLN HE22 H 1 6.694 0.005 . . . . . . A 54 GLN HE22 . 36323 1 404 . 1 . 1 41 41 GLN C C 13 171.859 0.002 . 1 . . . . A 54 GLN C . 36323 1 405 . 1 . 1 41 41 GLN CA C 13 52.085 0.08 . 1 . . . . A 54 GLN CA . 36323 1 406 . 1 . 1 41 41 GLN CB C 13 29.306 0.084 . 1 . . . . A 54 GLN CB . 36323 1 407 . 1 . 1 41 41 GLN CG C 13 33.093 0.083 . 1 . . . . A 54 GLN CG . 36323 1 408 . 1 . 1 41 41 GLN N N 15 118.918 0.035 . 1 . . . . A 54 GLN N . 36323 1 409 . 1 . 1 41 41 GLN NE2 N 15 109.868 0.038 . 1 . . . . A 54 GLN NE2 . 36323 1 410 . 1 . 1 42 42 LEU H H 1 9.155 0.009 . 1 . . . . A 55 LEU H . 36323 1 411 . 1 . 1 42 42 LEU HA H 1 5.074 0.011 . 1 . . . . A 55 LEU HA . 36323 1 412 . 1 . 1 42 42 LEU HB2 H 1 1.601 0.01 . . . . . . A 55 LEU HB2 . 36323 1 413 . 1 . 1 42 42 LEU HB3 H 1 1.41 0.012 . . . . . . A 55 LEU HB3 . 36323 1 414 . 1 . 1 42 42 LEU HG H 1 1.448 0.013 . 1 . . . . A 55 LEU HG . 36323 1 415 . 1 . 1 42 42 LEU HD11 H 1 0.558 0.011 . . . . . . A 55 LEU HD11 . 36323 1 416 . 1 . 1 42 42 LEU HD12 H 1 0.558 0.011 . . . . . . A 55 LEU HD12 . 36323 1 417 . 1 . 1 42 42 LEU HD13 H 1 0.558 0.011 . . . . . . A 55 LEU HD13 . 36323 1 418 . 1 . 1 42 42 LEU C C 13 173.314 0.026 . 1 . . . . A 55 LEU C . 36323 1 419 . 1 . 1 42 42 LEU CA C 13 51.878 0.067 . 1 . . . . A 55 LEU CA . 36323 1 420 . 1 . 1 42 42 LEU CB C 13 39.21 0.089 . 1 . . . . A 55 LEU CB . 36323 1 421 . 1 . 1 42 42 LEU CG C 13 26.853 0.067 . 1 . . . . A 55 LEU CG . 36323 1 422 . 1 . 1 42 42 LEU CD1 C 13 23.11 0.043 . . . . . . A 55 LEU CD1 . 36323 1 423 . 1 . 1 42 42 LEU N N 15 127.903 0.027 . 1 . . . . A 55 LEU N . 36323 1 424 . 1 . 1 43 43 LYS H H 1 8.68 0.006 . 1 . . . . A 56 LYS H . 36323 1 425 . 1 . 1 43 43 LYS HA H 1 4.947 0.015 . 1 . . . . A 56 LYS HA . 36323 1 426 . 1 . 1 43 43 LYS HB2 H 1 1.644 0.013 . . . . . . A 56 LYS HB2 . 36323 1 427 . 1 . 1 43 43 LYS HG2 H 1 1.207 0.009 . . . . . . A 56 LYS HG2 . 36323 1 428 . 1 . 1 43 43 LYS HG3 H 1 1.091 0.016 . . . . . . A 56 LYS HG3 . 36323 1 429 . 1 . 1 43 43 LYS HD2 H 1 1.493 0.012 . . . . . . A 56 LYS HD2 . 36323 1 430 . 1 . 1 43 43 LYS HE2 H 1 2.726 0.008 . . . . . . A 56 LYS HE2 . 36323 1 431 . 1 . 1 43 43 LYS C C 13 172.164 0.002 . 1 . . . . A 56 LYS C . 36323 1 432 . 1 . 1 43 43 LYS CA C 13 52.629 0.096 . 1 . . . . A 56 LYS CA . 36323 1 433 . 1 . 1 43 43 LYS CB C 13 33.613 0.085 . 1 . . . . A 56 LYS CB . 36323 1 434 . 1 . 1 43 43 LYS CG C 13 23.006 0.083 . 1 . . . . A 56 LYS CG . 36323 1 435 . 1 . 1 43 43 LYS CD C 13 27.078 0.052 . 1 . . . . A 56 LYS CD . 36323 1 436 . 1 . 1 43 43 LYS CE C 13 39.615 0.074 . 1 . . . . A 56 LYS CE . 36323 1 437 . 1 . 1 43 43 LYS N N 15 125.007 0.042 . 1 . . . . A 56 LYS N . 36323 1 438 . 1 . 1 44 44 ALA H H 1 8.443 0.012 . 1 . . . . A 57 ALA H . 36323 1 439 . 1 . 1 44 44 ALA HA H 1 4.532 0.014 . 1 . . . . A 57 ALA HA . 36323 1 440 . 1 . 1 44 44 ALA HB1 H 1 1.354 0.005 . 1 . . . . A 57 ALA HB1 . 36323 1 441 . 1 . 1 44 44 ALA HB2 H 1 1.354 0.005 . 1 . . . . A 57 ALA HB2 . 36323 1 442 . 1 . 1 44 44 ALA HB3 H 1 1.354 0.005 . 1 . . . . A 57 ALA HB3 . 36323 1 443 . 1 . 1 44 44 ALA C C 13 174.61 0.005 . 1 . . . . A 57 ALA C . 36323 1 444 . 1 . 1 44 44 ALA CA C 13 50.934 0.013 . 1 . . . . A 57 ALA CA . 36323 1 445 . 1 . 1 44 44 ALA CB C 13 16.886 0.054 . 1 . . . . A 57 ALA CB . 36323 1 446 . 1 . 1 44 44 ALA N N 15 127.955 0.041 . 1 . . . . A 57 ALA N . 36323 1 447 . 1 . 1 45 45 LEU H H 1 9.035 0.016 . 1 . . . . A 58 LEU H . 36323 1 448 . 1 . 1 45 45 LEU HA H 1 4.299 0.009 . 1 . . . . A 58 LEU HA . 36323 1 449 . 1 . 1 45 45 LEU HB2 H 1 1.531 0.008 . . . . . . A 58 LEU HB2 . 36323 1 450 . 1 . 1 45 45 LEU HB3 H 1 1.464 0.019 . . . . . . A 58 LEU HB3 . 36323 1 451 . 1 . 1 45 45 LEU HG H 1 0.894 0.007 . 1 . . . . A 58 LEU HG . 36323 1 452 . 1 . 1 45 45 LEU HD11 H 1 0.873 0.005 . . . . . . A 58 LEU HD11 . 36323 1 453 . 1 . 1 45 45 LEU HD12 H 1 0.873 0.005 . . . . . . A 58 LEU HD12 . 36323 1 454 . 1 . 1 45 45 LEU HD13 H 1 0.873 0.005 . . . . . . A 58 LEU HD13 . 36323 1 455 . 1 . 1 45 45 LEU HD21 H 1 0.608 0.007 . . . . . . A 58 LEU HD21 . 36323 1 456 . 1 . 1 45 45 LEU HD22 H 1 0.608 0.007 . . . . . . A 58 LEU HD22 . 36323 1 457 . 1 . 1 45 45 LEU HD23 H 1 0.608 0.007 . . . . . . A 58 LEU HD23 . 36323 1 458 . 1 . 1 45 45 LEU C C 13 174.152 0 . 1 . . . . A 58 LEU C . 36323 1 459 . 1 . 1 45 45 LEU CA C 13 53.686 0.058 . 1 . . . . A 58 LEU CA . 36323 1 460 . 1 . 1 45 45 LEU CB C 13 41.898 0.086 . 1 . . . . A 58 LEU CB . 36323 1 461 . 1 . 1 45 45 LEU CG C 13 25.041 0 . 1 . . . . A 58 LEU CG . 36323 1 462 . 1 . 1 45 45 LEU CD1 C 13 24.608 0.073 . . . . . . A 58 LEU CD1 . 36323 1 463 . 1 . 1 45 45 LEU CD2 C 13 20.309 0.024 . . . . . . A 58 LEU CD2 . 36323 1 464 . 1 . 1 45 45 LEU N N 15 125.349 0.051 . 1 . . . . A 58 LEU N . 36323 1 465 . 1 . 1 46 46 LYS H H 1 8.181 0.012 . 1 . . . . A 59 LYS H . 36323 1 466 . 1 . 1 46 46 LYS HA H 1 4.571 0.005 . 1 . . . . A 59 LYS HA . 36323 1 467 . 1 . 1 46 46 LYS HB2 H 1 2.036 0.006 . . . . . . A 59 LYS HB2 . 36323 1 468 . 1 . 1 46 46 LYS HB3 H 1 1.568 0.012 . . . . . . A 59 LYS HB3 . 36323 1 469 . 1 . 1 46 46 LYS HG2 H 1 1.244 0.012 . . . . . . A 59 LYS HG2 . 36323 1 470 . 1 . 1 46 46 LYS HG3 H 1 1.12 0.004 . . . . . . A 59 LYS HG3 . 36323 1 471 . 1 . 1 46 46 LYS HD2 H 1 1.572 0.007 . . . . . . A 59 LYS HD2 . 36323 1 472 . 1 . 1 46 46 LYS HE2 H 1 2.812 0.007 . . . . . . A 59 LYS HE2 . 36323 1 473 . 1 . 1 46 46 LYS HE3 H 1 2.786 0.015 . . . . . . A 59 LYS HE3 . 36323 1 474 . 1 . 1 46 46 LYS C C 13 170.162 0 . 1 . . . . A 59 LYS C . 36323 1 475 . 1 . 1 46 46 LYS CA C 13 52.033 0.038 . 1 . . . . A 59 LYS CA . 36323 1 476 . 1 . 1 46 46 LYS CB C 13 29.808 0.073 . 1 . . . . A 59 LYS CB . 36323 1 477 . 1 . 1 46 46 LYS CG C 13 22.049 0.045 . 1 . . . . A 59 LYS CG . 36323 1 478 . 1 . 1 46 46 LYS CD C 13 27.25 0.044 . 1 . . . . A 59 LYS CD . 36323 1 479 . 1 . 1 46 46 LYS CE C 13 39.807 0.083 . 1 . . . . A 59 LYS CE . 36323 1 480 . 1 . 1 46 46 LYS N N 15 117.334 0.031 . 1 . . . . A 59 LYS N . 36323 1 481 . 1 . 1 47 47 PRO HA H 1 4.269 0.012 . 1 . . . . A 60 PRO HA . 36323 1 482 . 1 . 1 47 47 PRO HB2 H 1 2.208 0.014 . . . . . . A 60 PRO HB2 . 36323 1 483 . 1 . 1 47 47 PRO HB3 H 1 1.889 0.015 . . . . . . A 60 PRO HB3 . 36323 1 484 . 1 . 1 47 47 PRO HD2 H 1 3.683 0.003 . . . . . . A 60 PRO HD2 . 36323 1 485 . 1 . 1 47 47 PRO HD3 H 1 3.455 0.018 . . . . . . A 60 PRO HD3 . 36323 1 486 . 1 . 1 47 47 PRO C C 13 175.207 0 . 1 . . . . A 60 PRO C . 36323 1 487 . 1 . 1 47 47 PRO CA C 13 63.4 0.069 . 1 . . . . A 60 PRO CA . 36323 1 488 . 1 . 1 47 47 PRO CB C 13 28.361 0.113 . 1 . . . . A 60 PRO CB . 36323 1 489 . 1 . 1 48 48 GLY H H 1 8.598 0.007 . 1 . . . . A 61 GLY H . 36323 1 490 . 1 . 1 48 48 GLY HA2 H 1 4.616 0.002 . . . . . . A 61 GLY HA2 . 36323 1 491 . 1 . 1 48 48 GLY HA3 H 1 3.968 0.019 . . . . . . A 61 GLY HA3 . 36323 1 492 . 1 . 1 48 48 GLY C C 13 170.723 0 . 1 . . . . A 61 GLY C . 36323 1 493 . 1 . 1 48 48 GLY CA C 13 43.954 0.055 . 1 . . . . A 61 GLY CA . 36323 1 494 . 1 . 1 48 48 GLY N N 15 114.055 0.055 . 1 . . . . A 61 GLY N . 36323 1 495 . 1 . 1 49 49 VAL H H 1 8.34 0.008 . 1 . . . . A 62 VAL H . 36323 1 496 . 1 . 1 49 49 VAL HA H 1 5.007 0.017 . 1 . . . . A 62 VAL HA . 36323 1 497 . 1 . 1 49 49 VAL HB H 1 1.672 0.015 . 1 . . . . A 62 VAL HB . 36323 1 498 . 1 . 1 49 49 VAL HG11 H 1 0.826 0.011 . . . . . . A 62 VAL HG11 . 36323 1 499 . 1 . 1 49 49 VAL HG12 H 1 0.826 0.011 . . . . . . A 62 VAL HG12 . 36323 1 500 . 1 . 1 49 49 VAL HG13 H 1 0.826 0.011 . . . . . . A 62 VAL HG13 . 36323 1 501 . 1 . 1 49 49 VAL HG21 H 1 0.77 0.009 . . . . . . A 62 VAL HG21 . 36323 1 502 . 1 . 1 49 49 VAL HG22 H 1 0.77 0.009 . . . . . . A 62 VAL HG22 . 36323 1 503 . 1 . 1 49 49 VAL HG23 H 1 0.77 0.009 . . . . . . A 62 VAL HG23 . 36323 1 504 . 1 . 1 49 49 VAL C C 13 172.788 0.019 . 1 . . . . A 62 VAL C . 36323 1 505 . 1 . 1 49 49 VAL CA C 13 59.519 0.05 . 1 . . . . A 62 VAL CA . 36323 1 506 . 1 . 1 49 49 VAL CB C 13 31.958 0.063 . 1 . . . . A 62 VAL CB . 36323 1 507 . 1 . 1 49 49 VAL CG1 C 13 19.833 0.043 . . . . . . A 62 VAL CG1 . 36323 1 508 . 1 . 1 49 49 VAL CG2 C 13 19.192 0.074 . . . . . . A 62 VAL CG2 . 36323 1 509 . 1 . 1 49 49 VAL N N 15 121.456 0.086 . 1 . . . . A 62 VAL N . 36323 1 510 . 1 . 1 50 50 ILE H H 1 9.726 0.016 . 1 . . . . A 63 ILE H . 36323 1 511 . 1 . 1 50 50 ILE HA H 1 5.403 0.011 . 1 . . . . A 63 ILE HA . 36323 1 512 . 1 . 1 50 50 ILE HB H 1 1.878 0.015 . 1 . . . . A 63 ILE HB . 36323 1 513 . 1 . 1 50 50 ILE HG12 H 1 1.313 0.015 . . . . . . A 63 ILE HG12 . 36323 1 514 . 1 . 1 50 50 ILE HG13 H 1 1.191 0.01 . . . . . . A 63 ILE HG13 . 36323 1 515 . 1 . 1 50 50 ILE HG21 H 1 0.74 0.011 . 1 . . . . A 63 ILE HG21 . 36323 1 516 . 1 . 1 50 50 ILE HG22 H 1 0.74 0.011 . 1 . . . . A 63 ILE HG22 . 36323 1 517 . 1 . 1 50 50 ILE HG23 H 1 0.74 0.011 . 1 . . . . A 63 ILE HG23 . 36323 1 518 . 1 . 1 50 50 ILE HD11 H 1 0.759 0.01 . 1 . . . . A 63 ILE HD11 . 36323 1 519 . 1 . 1 50 50 ILE HD12 H 1 0.759 0.01 . 1 . . . . A 63 ILE HD12 . 36323 1 520 . 1 . 1 50 50 ILE HD13 H 1 0.759 0.01 . 1 . . . . A 63 ILE HD13 . 36323 1 521 . 1 . 1 50 50 ILE C C 13 172.025 0.008 . 1 . . . . A 63 ILE C . 36323 1 522 . 1 . 1 50 50 ILE CA C 13 56.928 0.066 . 1 . . . . A 63 ILE CA . 36323 1 523 . 1 . 1 50 50 ILE CB C 13 40.855 0.111 . 1 . . . . A 63 ILE CB . 36323 1 524 . 1 . 1 50 50 ILE CG1 C 13 23.876 0.039 . 1 . . . . A 63 ILE CG1 . 36323 1 525 . 1 . 1 50 50 ILE CG2 C 13 15.188 0.052 . 1 . . . . A 63 ILE CG2 . 36323 1 526 . 1 . 1 50 50 ILE CD1 C 13 13.663 0.058 . 1 . . . . A 63 ILE CD1 . 36323 1 527 . 1 . 1 50 50 ILE N N 15 121.449 0.059 . 1 . . . . A 63 ILE N . 36323 1 528 . 1 . 1 51 51 GLN H H 1 8.763 0.015 . 1 . . . . A 64 GLN H . 36323 1 529 . 1 . 1 51 51 GLN HA H 1 5.126 0.009 . 1 . . . . A 64 GLN HA . 36323 1 530 . 1 . 1 51 51 GLN HB2 H 1 1.997 0.014 . . . . . . A 64 GLN HB2 . 36323 1 531 . 1 . 1 51 51 GLN HB3 H 1 1.889 0.002 . . . . . . A 64 GLN HB3 . 36323 1 532 . 1 . 1 51 51 GLN HG2 H 1 2.168 0.002 . . . . . . A 64 GLN HG2 . 36323 1 533 . 1 . 1 51 51 GLN HG3 H 1 2.133 0.017 . . . . . . A 64 GLN HG3 . 36323 1 534 . 1 . 1 51 51 GLN HE21 H 1 6.463 0.003 . . . . . . A 64 GLN HE21 . 36323 1 535 . 1 . 1 51 51 GLN HE22 H 1 4.087 0.004 . . . . . . A 64 GLN HE22 . 36323 1 536 . 1 . 1 51 51 GLN C C 13 171.363 0.004 . 1 . . . . A 64 GLN C . 36323 1 537 . 1 . 1 51 51 GLN CA C 13 51.191 0.04 . 1 . . . . A 64 GLN CA . 36323 1 538 . 1 . 1 51 51 GLN CB C 13 30.739 0.079 . 1 . . . . A 64 GLN CB . 36323 1 539 . 1 . 1 51 51 GLN CG C 13 32.558 0.093 . 1 . . . . A 64 GLN CG . 36323 1 540 . 1 . 1 51 51 GLN N N 15 118.118 0.038 . 1 . . . . A 64 GLN N . 36323 1 541 . 1 . 1 51 51 GLN NE2 N 15 108.012 0.042 . 1 . . . . A 64 GLN NE2 . 36323 1 542 . 1 . 1 52 52 ILE H H 1 10.434 0.009 . 1 . . . . A 65 ILE H . 36323 1 543 . 1 . 1 52 52 ILE HA H 1 4.53 0.019 . 1 . . . . A 65 ILE HA . 36323 1 544 . 1 . 1 52 52 ILE HB H 1 1.546 0.015 . 1 . . . . A 65 ILE HB . 36323 1 545 . 1 . 1 52 52 ILE HG12 H 1 1.33 0.015 . . . . . . A 65 ILE HG12 . 36323 1 546 . 1 . 1 52 52 ILE HG13 H 1 0.479 0.006 . . . . . . A 65 ILE HG13 . 36323 1 547 . 1 . 1 52 52 ILE HG21 H 1 0.404 0.006 . 1 . . . . A 65 ILE HG21 . 36323 1 548 . 1 . 1 52 52 ILE HG22 H 1 0.404 0.006 . 1 . . . . A 65 ILE HG22 . 36323 1 549 . 1 . 1 52 52 ILE HG23 H 1 0.404 0.006 . 1 . . . . A 65 ILE HG23 . 36323 1 550 . 1 . 1 52 52 ILE HD11 H 1 -0.239 0.018 . 1 . . . . A 65 ILE HD11 . 36323 1 551 . 1 . 1 52 52 ILE HD12 H 1 -0.239 0.018 . 1 . . . . A 65 ILE HD12 . 36323 1 552 . 1 . 1 52 52 ILE HD13 H 1 -0.239 0.018 . 1 . . . . A 65 ILE HD13 . 36323 1 553 . 1 . 1 52 52 ILE C C 13 169.95 0 . 1 . . . . A 65 ILE C . 36323 1 554 . 1 . 1 52 52 ILE CA C 13 59.443 0.039 . 1 . . . . A 65 ILE CA . 36323 1 555 . 1 . 1 52 52 ILE CB C 13 37.709 0.109 . 1 . . . . A 65 ILE CB . 36323 1 556 . 1 . 1 52 52 ILE CG1 C 13 25.519 0.028 . 1 . . . . A 65 ILE CG1 . 36323 1 557 . 1 . 1 52 52 ILE CG2 C 13 16.332 0.039 . 1 . . . . A 65 ILE CG2 . 36323 1 558 . 1 . 1 52 52 ILE CD1 C 13 9.847 0.046 . 1 . . . . A 65 ILE CD1 . 36323 1 559 . 1 . 1 52 52 ILE N N 15 125.716 0.047 . 1 . . . . A 65 ILE N . 36323 1 560 . 1 . 1 53 53 LEU H H 1 8.891 0.014 . 1 . . . . A 66 LEU H . 36323 1 561 . 1 . 1 53 53 LEU HA H 1 4.538 0.019 . 1 . . . . A 66 LEU HA . 36323 1 562 . 1 . 1 53 53 LEU HB2 H 1 1.577 0.014 . . . . . . A 66 LEU HB2 . 36323 1 563 . 1 . 1 53 53 LEU HB3 H 1 0.973 0.007 . . . . . . A 66 LEU HB3 . 36323 1 564 . 1 . 1 53 53 LEU HG H 1 0.734 0.005 . 1 . . . . A 66 LEU HG . 36323 1 565 . 1 . 1 53 53 LEU HD11 H 1 0.454 0.007 . . . . . . A 66 LEU HD11 . 36323 1 566 . 1 . 1 53 53 LEU HD12 H 1 0.454 0.007 . . . . . . A 66 LEU HD12 . 36323 1 567 . 1 . 1 53 53 LEU HD13 H 1 0.454 0.007 . . . . . . A 66 LEU HD13 . 36323 1 568 . 1 . 1 53 53 LEU HD21 H 1 -0.369 0.013 . . . . . . A 66 LEU HD21 . 36323 1 569 . 1 . 1 53 53 LEU HD22 H 1 -0.369 0.013 . . . . . . A 66 LEU HD22 . 36323 1 570 . 1 . 1 53 53 LEU HD23 H 1 -0.369 0.013 . . . . . . A 66 LEU HD23 . 36323 1 571 . 1 . 1 53 53 LEU C C 13 173.353 0.009 . 1 . . . . A 66 LEU C . 36323 1 572 . 1 . 1 53 53 LEU CA C 13 50.456 0.044 . 1 . . . . A 66 LEU CA . 36323 1 573 . 1 . 1 53 53 LEU CB C 13 44.062 0.059 . 1 . . . . A 66 LEU CB . 36323 1 574 . 1 . 1 53 53 LEU CG C 13 24.516 0.05 . 1 . . . . A 66 LEU CG . 36323 1 575 . 1 . 1 53 53 LEU CD1 C 13 23.793 0.082 . . . . . . A 66 LEU CD1 . 36323 1 576 . 1 . 1 53 53 LEU CD2 C 13 19.547 0.05 . . . . . . A 66 LEU CD2 . 36323 1 577 . 1 . 1 53 53 LEU N N 15 128.858 0.045 . 1 . . . . A 66 LEU N . 36323 1 578 . 1 . 1 54 54 GLY H H 1 9.336 0.011 . 1 . . . . A 67 GLY H . 36323 1 579 . 1 . 1 54 54 GLY HA2 H 1 4.132 0.011 . . . . . . A 67 GLY HA2 . 36323 1 580 . 1 . 1 54 54 GLY HA3 H 1 3.368 0.014 . . . . . . A 67 GLY HA3 . 36323 1 581 . 1 . 1 54 54 GLY C C 13 170.577 0.012 . 1 . . . . A 67 GLY C . 36323 1 582 . 1 . 1 54 54 GLY CA C 13 43.94 0.057 . 1 . . . . A 67 GLY CA . 36323 1 583 . 1 . 1 54 54 GLY N N 15 114.593 0.032 . 1 . . . . A 67 GLY N . 36323 1 584 . 1 . 1 55 55 VAL H H 1 7.626 0.022 . 1 . . . . A 68 VAL H . 36323 1 585 . 1 . 1 55 55 VAL HA H 1 3.186 0.018 . 1 . . . . A 68 VAL HA . 36323 1 586 . 1 . 1 55 55 VAL HB H 1 1.628 0.016 . 1 . . . . A 68 VAL HB . 36323 1 587 . 1 . 1 55 55 VAL HG11 H 1 0.696 0.005 . . . . . . A 68 VAL HG11 . 36323 1 588 . 1 . 1 55 55 VAL HG12 H 1 0.696 0.005 . . . . . . A 68 VAL HG12 . 36323 1 589 . 1 . 1 55 55 VAL HG13 H 1 0.696 0.005 . . . . . . A 68 VAL HG13 . 36323 1 590 . 1 . 1 55 55 VAL HG21 H 1 0.716 0.006 . . . . . . A 68 VAL HG21 . 36323 1 591 . 1 . 1 55 55 VAL HG22 H 1 0.716 0.006 . . . . . . A 68 VAL HG22 . 36323 1 592 . 1 . 1 55 55 VAL HG23 H 1 0.716 0.006 . . . . . . A 68 VAL HG23 . 36323 1 593 . 1 . 1 55 55 VAL C C 13 175.387 0.011 . 1 . . . . A 68 VAL C . 36323 1 594 . 1 . 1 55 55 VAL CA C 13 64.284 0.046 . 1 . . . . A 68 VAL CA . 36323 1 595 . 1 . 1 55 55 VAL CB C 13 29.919 0.099 . 1 . . . . A 68 VAL CB . 36323 1 596 . 1 . 1 55 55 VAL CG1 C 13 20.581 0.055 . . . . . . A 68 VAL CG1 . 36323 1 597 . 1 . 1 55 55 VAL CG2 C 13 18.784 0.079 . . . . . . A 68 VAL CG2 . 36323 1 598 . 1 . 1 55 55 VAL N N 15 127.676 0.037 . 1 . . . . A 68 VAL N . 36323 1 599 . 1 . 1 56 56 LYS H H 1 9.637 0.016 . 1 . . . . A 69 LYS H . 36323 1 600 . 1 . 1 56 56 LYS HA H 1 4.031 0.012 . 1 . . . . A 69 LYS HA . 36323 1 601 . 1 . 1 56 56 LYS HB2 H 1 1.666 0.01 . . . . . . A 69 LYS HB2 . 36323 1 602 . 1 . 1 56 56 LYS HG2 H 1 1.366 0.005 . . . . . . A 69 LYS HG2 . 36323 1 603 . 1 . 1 56 56 LYS HD2 H 1 1.611 0.008 . . . . . . A 69 LYS HD2 . 36323 1 604 . 1 . 1 56 56 LYS HE2 H 1 2.919 0.008 . . . . . . A 69 LYS HE2 . 36323 1 605 . 1 . 1 56 56 LYS C C 13 174.976 0.005 . 1 . . . . A 69 LYS C . 36323 1 606 . 1 . 1 56 56 LYS CA C 13 56.152 0.053 . 1 . . . . A 69 LYS CA . 36323 1 607 . 1 . 1 56 56 LYS CB C 13 30.865 0.06 . 1 . . . . A 69 LYS CB . 36323 1 608 . 1 . 1 56 56 LYS CG C 13 22.671 0.055 . 1 . . . . A 69 LYS CG . 36323 1 609 . 1 . 1 56 56 LYS CD C 13 26.838 0.028 . 1 . . . . A 69 LYS CD . 36323 1 610 . 1 . 1 56 56 LYS CE C 13 39.799 0.028 . 1 . . . . A 69 LYS CE . 36323 1 611 . 1 . 1 56 56 LYS N N 15 118.89 0.047 . 1 . . . . A 69 LYS N . 36323 1 612 . 1 . 1 57 57 THR H H 1 6.75 0.007 . 1 . . . . A 70 THR H . 36323 1 613 . 1 . 1 57 57 THR HA H 1 4.109 0.018 . 1 . . . . A 70 THR HA . 36323 1 614 . 1 . 1 57 57 THR HB H 1 4.002 0.011 . 1 . . . . A 70 THR HB . 36323 1 615 . 1 . 1 57 57 THR HG1 H 1 4.466 0.014 . 1 . . . . A 70 THR HG1 . 36323 1 616 . 1 . 1 57 57 THR HG21 H 1 1.135 0.007 . 1 . . . . A 70 THR HG21 . 36323 1 617 . 1 . 1 57 57 THR HG22 H 1 1.135 0.007 . 1 . . . . A 70 THR HG22 . 36323 1 618 . 1 . 1 57 57 THR HG23 H 1 1.135 0.007 . 1 . . . . A 70 THR HG23 . 36323 1 619 . 1 . 1 57 57 THR C C 13 173.088 0.004 . 1 . . . . A 70 THR C . 36323 1 620 . 1 . 1 57 57 THR CA C 13 59.488 0.029 . 1 . . . . A 70 THR CA . 36323 1 621 . 1 . 1 57 57 THR CB C 13 69.429 0.08 . 1 . . . . A 70 THR CB . 36323 1 622 . 1 . 1 57 57 THR CG2 C 13 19.149 0.066 . 1 . . . . A 70 THR CG2 . 36323 1 623 . 1 . 1 57 57 THR N N 15 103.843 0.032 . 1 . . . . A 70 THR N . 36323 1 624 . 1 . 1 58 58 SER H H 1 7.883 0.01 . 1 . . . . A 71 SER H . 36323 1 625 . 1 . 1 58 58 SER HA H 1 3.502 0.014 . 1 . . . . A 71 SER HA . 36323 1 626 . 1 . 1 58 58 SER HB2 H 1 3.949 0.018 . . . . . . A 71 SER HB2 . 36323 1 627 . 1 . 1 58 58 SER HB3 H 1 3.877 0.007 . . . . . . A 71 SER HB3 . 36323 1 628 . 1 . 1 58 58 SER HG H 1 7.756 0 . 1 . . . . A 71 SER HG . 36323 1 629 . 1 . 1 58 58 SER C C 13 169.068 0 . 1 . . . . A 71 SER C . 36323 1 630 . 1 . 1 58 58 SER CA C 13 57.365 0.083 . 1 . . . . A 71 SER CA . 36323 1 631 . 1 . 1 58 58 SER CB C 13 58.914 0 . 1 . . . . A 71 SER CB . 36323 1 632 . 1 . 1 58 58 SER N N 15 114.111 0.045 . 1 . . . . A 71 SER N . 36323 1 633 . 1 . 1 59 59 ARG H H 1 6.902 0.007 . 1 . . . . A 72 ARG H . 36323 1 634 . 1 . 1 59 59 ARG HA H 1 4.39 0.016 . 1 . . . . A 72 ARG HA . 36323 1 635 . 1 . 1 59 59 ARG HB2 H 1 1.477 0.01 . . . . . . A 72 ARG HB2 . 36323 1 636 . 1 . 1 59 59 ARG HB3 H 1 0.722 0.011 . . . . . . A 72 ARG HB3 . 36323 1 637 . 1 . 1 59 59 ARG HG2 H 1 1.625 0 . . . . . . A 72 ARG HG2 . 36323 1 638 . 1 . 1 59 59 ARG HD2 H 1 2.891 0.011 . . . . . . A 72 ARG HD2 . 36323 1 639 . 1 . 1 59 59 ARG HD3 H 1 2.766 0.027 . . . . . . A 72 ARG HD3 . 36323 1 640 . 1 . 1 59 59 ARG HE H 1 7.53 0.004 . 1 . . . . A 72 ARG HE . 36323 1 641 . 1 . 1 59 59 ARG C C 13 172.239 0.011 . 1 . . . . A 72 ARG C . 36323 1 642 . 1 . 1 59 59 ARG CA C 13 51.865 0.047 . 1 . . . . A 72 ARG CA . 36323 1 643 . 1 . 1 59 59 ARG CB C 13 29.608 0.095 . 1 . . . . A 72 ARG CB . 36323 1 644 . 1 . 1 59 59 ARG CG C 13 27.083 0 . 1 . . . . A 72 ARG CG . 36323 1 645 . 1 . 1 59 59 ARG N N 15 114.408 0.058 . 1 . . . . A 72 ARG N . 36323 1 646 . 1 . 1 59 59 ARG NE N 15 86.202 0.01 . 1 . . . . A 72 ARG NE . 36323 1 647 . 1 . 1 60 60 PHE H H 1 9.351 0.004 . 1 . . . . A 73 PHE H . 36323 1 648 . 1 . 1 60 60 PHE HA H 1 4.827 0.006 . 1 . . . . A 73 PHE HA . 36323 1 649 . 1 . 1 60 60 PHE HB2 H 1 3.255 0.009 . . . . . . A 73 PHE HB2 . 36323 1 650 . 1 . 1 60 60 PHE HB3 H 1 2.814 0.017 . . . . . . A 73 PHE HB3 . 36323 1 651 . 1 . 1 60 60 PHE HD1 H 1 7.088 0.014 . . . . . . A 73 PHE HD1 . 36323 1 652 . 1 . 1 60 60 PHE HE1 H 1 6.843 0.013 . . . . . . A 73 PHE HE1 . 36323 1 653 . 1 . 1 60 60 PHE HZ H 1 7.747 0 . 1 . . . . A 73 PHE HZ . 36323 1 654 . 1 . 1 60 60 PHE C C 13 173.192 0.006 . 1 . . . . A 73 PHE C . 36323 1 655 . 1 . 1 60 60 PHE CA C 13 55.19 0.026 . 1 . . . . A 73 PHE CA . 36323 1 656 . 1 . 1 60 60 PHE CB C 13 38.057 0.062 . 1 . . . . A 73 PHE CB . 36323 1 657 . 1 . 1 60 60 PHE N N 15 122.349 0.053 . 1 . . . . A 73 PHE N . 36323 1 658 . 1 . 1 61 61 LEU H H 1 9.107 0.007 . 1 . . . . A 74 LEU H . 36323 1 659 . 1 . 1 61 61 LEU HA H 1 4.246 0.01 . 1 . . . . A 74 LEU HA . 36323 1 660 . 1 . 1 61 61 LEU HB2 H 1 1.857 0.017 . . . . . . A 74 LEU HB2 . 36323 1 661 . 1 . 1 61 61 LEU HB3 H 1 1.04 0.014 . . . . . . A 74 LEU HB3 . 36323 1 662 . 1 . 1 61 61 LEU HG H 1 1.404 0.018 . 1 . . . . A 74 LEU HG . 36323 1 663 . 1 . 1 61 61 LEU HD11 H 1 0.276 0.013 . . . . . . A 74 LEU HD11 . 36323 1 664 . 1 . 1 61 61 LEU HD12 H 1 0.276 0.013 . . . . . . A 74 LEU HD12 . 36323 1 665 . 1 . 1 61 61 LEU HD13 H 1 0.276 0.013 . . . . . . A 74 LEU HD13 . 36323 1 666 . 1 . 1 61 61 LEU HD21 H 1 0.777 0.015 . . . . . . A 74 LEU HD21 . 36323 1 667 . 1 . 1 61 61 LEU HD22 H 1 0.777 0.015 . . . . . . A 74 LEU HD22 . 36323 1 668 . 1 . 1 61 61 LEU HD23 H 1 0.777 0.015 . . . . . . A 74 LEU HD23 . 36323 1 669 . 1 . 1 61 61 LEU C C 13 172.692 0.019 . 1 . . . . A 74 LEU C . 36323 1 670 . 1 . 1 61 61 LEU CA C 13 53.056 0.037 . 1 . . . . A 74 LEU CA . 36323 1 671 . 1 . 1 61 61 LEU CB C 13 40.036 0.072 . 1 . . . . A 74 LEU CB . 36323 1 672 . 1 . 1 61 61 LEU CG C 13 25.272 0 . 1 . . . . A 74 LEU CG . 36323 1 673 . 1 . 1 61 61 LEU CD1 C 13 25.068 0.033 . . . . . . A 74 LEU CD1 . 36323 1 674 . 1 . 1 61 61 LEU CD2 C 13 23.556 0.013 . . . . . . A 74 LEU CD2 . 36323 1 675 . 1 . 1 61 61 LEU N N 15 123.305 0.043 . 1 . . . . A 74 LEU N . 36323 1 676 . 1 . 1 62 62 CYS H H 1 8.834 0.004 . 1 . . . . A 75 CYS H . 36323 1 677 . 1 . 1 62 62 CYS HA H 1 5.064 0.012 . 1 . . . . A 75 CYS HA . 36323 1 678 . 1 . 1 62 62 CYS HB2 H 1 2.395 0.023 . . . . . . A 75 CYS HB2 . 36323 1 679 . 1 . 1 62 62 CYS HB3 H 1 1.331 0.02 . . . . . . A 75 CYS HB3 . 36323 1 680 . 1 . 1 62 62 CYS C C 13 168.054 0 . 1 . . . . A 75 CYS C . 36323 1 681 . 1 . 1 62 62 CYS CA C 13 53.11 0.049 . 1 . . . . A 75 CYS CA . 36323 1 682 . 1 . 1 62 62 CYS CB C 13 47.481 0.044 . 1 . . . . A 75 CYS CB . 36323 1 683 . 1 . 1 62 62 CYS N N 15 125.105 0.054 . 1 . . . . A 75 CYS N . 36323 1 684 . 1 . 1 63 63 GLN H H 1 9.003 0.01 . 1 . . . . A 76 GLN H . 36323 1 685 . 1 . 1 63 63 GLN HA H 1 5.505 0.006 . 1 . . . . A 76 GLN HA . 36323 1 686 . 1 . 1 63 63 GLN HB2 H 1 2.268 0.014 . . . . . . A 76 GLN HB2 . 36323 1 687 . 1 . 1 63 63 GLN HB3 H 1 1.75 0.017 . . . . . . A 76 GLN HB3 . 36323 1 688 . 1 . 1 63 63 GLN HG2 H 1 2.815 0.016 . . . . . . A 76 GLN HG2 . 36323 1 689 . 1 . 1 63 63 GLN HG3 H 1 2.15 0.006 . . . . . . A 76 GLN HG3 . 36323 1 690 . 1 . 1 63 63 GLN HE21 H 1 7.259 0.017 . . . . . . A 76 GLN HE21 . 36323 1 691 . 1 . 1 63 63 GLN HE22 H 1 5.897 0.004 . . . . . . A 76 GLN HE22 . 36323 1 692 . 1 . 1 63 63 GLN C C 13 173.148 0.008 . 1 . . . . A 76 GLN C . 36323 1 693 . 1 . 1 63 63 GLN CA C 13 52.139 0.049 . 1 . . . . A 76 GLN CA . 36323 1 694 . 1 . 1 63 63 GLN CB C 13 33.043 0.071 . 1 . . . . A 76 GLN CB . 36323 1 695 . 1 . 1 63 63 GLN CG C 13 32.23 0.056 . 1 . . . . A 76 GLN CG . 36323 1 696 . 1 . 1 63 63 GLN N N 15 121.036 0.032 . 1 . . . . A 76 GLN N . 36323 1 697 . 1 . 1 63 63 GLN NE2 N 15 108.074 0.046 . 1 . . . . A 76 GLN NE2 . 36323 1 698 . 1 . 1 64 64 ARG H H 1 9.342 0.01 . 1 . . . . A 77 ARG H . 36323 1 699 . 1 . 1 64 64 ARG HA H 1 4.852 0.013 . 1 . . . . A 77 ARG HA . 36323 1 700 . 1 . 1 64 64 ARG HB2 H 1 1.788 0.01 . . . . . . A 77 ARG HB2 . 36323 1 701 . 1 . 1 64 64 ARG HG2 H 1 1.504 0.007 . . . . . . A 77 ARG HG2 . 36323 1 702 . 1 . 1 64 64 ARG HD2 H 1 3.094 0.016 . . . . . . A 77 ARG HD2 . 36323 1 703 . 1 . 1 64 64 ARG C C 13 173.883 0 . 1 . . . . A 77 ARG C . 36323 1 704 . 1 . 1 64 64 ARG CA C 13 53.004 0.096 . 1 . . . . A 77 ARG CA . 36323 1 705 . 1 . 1 64 64 ARG CB C 13 27.949 0 . 1 . . . . A 77 ARG CB . 36323 1 706 . 1 . 1 64 64 ARG N N 15 126.353 0.061 . 1 . . . . A 77 ARG N . 36323 1 707 . 1 . 1 65 65 PRO HA H 1 3.564 0.016 . 1 . . . . A 78 PRO HA . 36323 1 708 . 1 . 1 65 65 PRO HB2 H 1 2.018 0.001 . . . . . . A 78 PRO HB2 . 36323 1 709 . 1 . 1 65 65 PRO HB3 H 1 1.736 0.001 . . . . . . A 78 PRO HB3 . 36323 1 710 . 1 . 1 65 65 PRO HG2 H 1 1.948 0 . . . . . . A 78 PRO HG2 . 36323 1 711 . 1 . 1 65 65 PRO HD2 H 1 3.851 0.007 . . . . . . A 78 PRO HD2 . 36323 1 712 . 1 . 1 65 65 PRO HD3 H 1 3.607 0.005 . . . . . . A 78 PRO HD3 . 36323 1 713 . 1 . 1 65 65 PRO C C 13 172.927 0.001 . 1 . . . . A 78 PRO C . 36323 1 714 . 1 . 1 65 65 PRO CA C 13 62.645 0.067 . 1 . . . . A 78 PRO CA . 36323 1 715 . 1 . 1 65 65 PRO CB C 13 29.148 0.04 . 1 . . . . A 78 PRO CB . 36323 1 716 . 1 . 1 65 65 PRO CG C 13 25.23 0 . 1 . . . . A 78 PRO CG . 36323 1 717 . 1 . 1 65 65 PRO CD C 13 48.248 0.016 . 1 . . . . A 78 PRO CD . 36323 1 718 . 1 . 1 66 66 ASP H H 1 7.227 0.004 . 1 . . . . A 79 ASP H . 36323 1 719 . 1 . 1 66 66 ASP HA H 1 4.436 0.007 . 1 . . . . A 79 ASP HA . 36323 1 720 . 1 . 1 66 66 ASP HB2 H 1 2.981 0.012 . . . . . . A 79 ASP HB2 . 36323 1 721 . 1 . 1 66 66 ASP HB3 H 1 2.474 0.013 . . . . . . A 79 ASP HB3 . 36323 1 722 . 1 . 1 66 66 ASP C C 13 174.753 0.004 . 1 . . . . A 79 ASP C . 36323 1 723 . 1 . 1 66 66 ASP CA C 13 50.826 0.086 . 1 . . . . A 79 ASP CA . 36323 1 724 . 1 . 1 66 66 ASP CB C 13 37.931 0.041 . 1 . . . . A 79 ASP CB . 36323 1 725 . 1 . 1 66 66 ASP N N 15 111.741 0.041 . 1 . . . . A 79 ASP N . 36323 1 726 . 1 . 1 67 67 GLY H H 1 8.42 0.013 . 1 . . . . A 80 GLY H . 36323 1 727 . 1 . 1 67 67 GLY HA2 H 1 4.459 0.018 . . . . . . A 80 GLY HA2 . 36323 1 728 . 1 . 1 67 67 GLY HA3 H 1 3.376 0.01 . . . . . . A 80 GLY HA3 . 36323 1 729 . 1 . 1 67 67 GLY C C 13 171.615 0 . 1 . . . . A 80 GLY C . 36323 1 730 . 1 . 1 67 67 GLY CA C 13 42.765 0.055 . 1 . . . . A 80 GLY CA . 36323 1 731 . 1 . 1 67 67 GLY N N 15 109.224 0.049 . 1 . . . . A 80 GLY N . 36323 1 732 . 1 . 1 68 68 ALA H H 1 7.953 0.005 . 1 . . . . A 81 ALA H . 36323 1 733 . 1 . 1 68 68 ALA HA H 1 4.311 0.013 . 1 . . . . A 81 ALA HA . 36323 1 734 . 1 . 1 68 68 ALA HB1 H 1 1.463 0.014 . 1 . . . . A 81 ALA HB1 . 36323 1 735 . 1 . 1 68 68 ALA HB2 H 1 1.463 0.014 . 1 . . . . A 81 ALA HB2 . 36323 1 736 . 1 . 1 68 68 ALA HB3 H 1 1.463 0.014 . 1 . . . . A 81 ALA HB3 . 36323 1 737 . 1 . 1 68 68 ALA C C 13 174.296 0.007 . 1 . . . . A 81 ALA C . 36323 1 738 . 1 . 1 68 68 ALA CA C 13 51.196 0.076 . 1 . . . . A 81 ALA CA . 36323 1 739 . 1 . 1 68 68 ALA CB C 13 17.133 0.088 . 1 . . . . A 81 ALA CB . 36323 1 740 . 1 . 1 68 68 ALA N N 15 124.99 0.048 . 1 . . . . A 81 ALA N . 36323 1 741 . 1 . 1 69 69 LEU H H 1 8.551 0.012 . 1 . . . . A 82 LEU H . 36323 1 742 . 1 . 1 69 69 LEU HA H 1 5.537 0.015 . 1 . . . . A 82 LEU HA . 36323 1 743 . 1 . 1 69 69 LEU HB2 H 1 1.772 0.013 . . . . . . A 82 LEU HB2 . 36323 1 744 . 1 . 1 69 69 LEU HB3 H 1 1.365 0.008 . . . . . . A 82 LEU HB3 . 36323 1 745 . 1 . 1 69 69 LEU HG H 1 2.044 0.009 . 1 . . . . A 82 LEU HG . 36323 1 746 . 1 . 1 69 69 LEU HD11 H 1 0.917 0.01 . . . . . . A 82 LEU HD11 . 36323 1 747 . 1 . 1 69 69 LEU HD12 H 1 0.917 0.01 . . . . . . A 82 LEU HD12 . 36323 1 748 . 1 . 1 69 69 LEU HD13 H 1 0.917 0.01 . . . . . . A 82 LEU HD13 . 36323 1 749 . 1 . 1 69 69 LEU HD21 H 1 0.861 0.017 . . . . . . A 82 LEU HD21 . 36323 1 750 . 1 . 1 69 69 LEU HD22 H 1 0.861 0.017 . . . . . . A 82 LEU HD22 . 36323 1 751 . 1 . 1 69 69 LEU HD23 H 1 0.861 0.017 . . . . . . A 82 LEU HD23 . 36323 1 752 . 1 . 1 69 69 LEU C C 13 174.643 0.028 . 1 . . . . A 82 LEU C . 36323 1 753 . 1 . 1 69 69 LEU CA C 13 51.291 0.089 . 1 . . . . A 82 LEU CA . 36323 1 754 . 1 . 1 69 69 LEU CB C 13 42.567 0.092 . 1 . . . . A 82 LEU CB . 36323 1 755 . 1 . 1 69 69 LEU CG C 13 24.843 0.028 . 1 . . . . A 82 LEU CG . 36323 1 756 . 1 . 1 69 69 LEU CD1 C 13 20.656 0.089 . . . . . . A 82 LEU CD1 . 36323 1 757 . 1 . 1 69 69 LEU CD2 C 13 24.486 0.078 . . . . . . A 82 LEU CD2 . 36323 1 758 . 1 . 1 69 69 LEU N N 15 120.434 0.025 . 1 . . . . A 82 LEU N . 36323 1 759 . 1 . 1 70 70 TYR H H 1 8.845 0.006 . 1 . . . . A 83 TYR H . 36323 1 760 . 1 . 1 70 70 TYR HA H 1 4.795 0.012 . 1 . . . . A 83 TYR HA . 36323 1 761 . 1 . 1 70 70 TYR HB2 H 1 3.097 0.014 . . . . . . A 83 TYR HB2 . 36323 1 762 . 1 . 1 70 70 TYR HB3 H 1 2.913 0.01 . . . . . . A 83 TYR HB3 . 36323 1 763 . 1 . 1 70 70 TYR HD1 H 1 6.798 0.019 . . . . . . A 83 TYR HD1 . 36323 1 764 . 1 . 1 70 70 TYR HE1 H 1 6.549 0.02 . . . . . . A 83 TYR HE1 . 36323 1 765 . 1 . 1 70 70 TYR C C 13 169.061 0.005 . 1 . . . . A 83 TYR C . 36323 1 766 . 1 . 1 70 70 TYR CA C 13 54.356 0.024 . 1 . . . . A 83 TYR CA . 36323 1 767 . 1 . 1 70 70 TYR CB C 13 37.718 0.096 . 1 . . . . A 83 TYR CB . 36323 1 768 . 1 . 1 70 70 TYR N N 15 118.097 0.018 . 1 . . . . A 83 TYR N . 36323 1 769 . 1 . 1 71 71 GLY H H 1 8.862 0.008 . 1 . . . . A 84 GLY H . 36323 1 770 . 1 . 1 71 71 GLY HA2 H 1 5.123 0.016 . . . . . . A 84 GLY HA2 . 36323 1 771 . 1 . 1 71 71 GLY HA3 H 1 3.234 0.014 . . . . . . A 84 GLY HA3 . 36323 1 772 . 1 . 1 71 71 GLY C C 13 172.061 0.004 . 1 . . . . A 84 GLY C . 36323 1 773 . 1 . 1 71 71 GLY CA C 13 41.635 0.056 . 1 . . . . A 84 GLY CA . 36323 1 774 . 1 . 1 71 71 GLY N N 15 106.909 0.039 . 1 . . . . A 84 GLY N . 36323 1 775 . 1 . 1 72 72 SER H H 1 9.593 0.02 . 1 . . . . A 85 SER H . 36323 1 776 . 1 . 1 72 72 SER HA H 1 5.001 0.008 . 1 . . . . A 85 SER HA . 36323 1 777 . 1 . 1 72 72 SER HB2 H 1 4.12 0.01 . . . . . . A 85 SER HB2 . 36323 1 778 . 1 . 1 72 72 SER HB3 H 1 3.809 0.013 . . . . . . A 85 SER HB3 . 36323 1 779 . 1 . 1 72 72 SER HG H 1 4.726 0.008 . 1 . . . . A 85 SER HG . 36323 1 780 . 1 . 1 72 72 SER C C 13 172.911 0 . 1 . . . . A 85 SER C . 36323 1 781 . 1 . 1 72 72 SER CA C 13 53.424 0.044 . 1 . . . . A 85 SER CA . 36323 1 782 . 1 . 1 72 72 SER CB C 13 64.639 0.064 . 1 . . . . A 85 SER CB . 36323 1 783 . 1 . 1 72 72 SER N N 15 123.166 0.047 . 1 . . . . A 85 SER N . 36323 1 784 . 1 . 1 73 73 LEU H H 1 9.315 0.011 . 1 . . . . A 86 LEU H . 36323 1 785 . 1 . 1 73 73 LEU HA H 1 4.402 0.018 . 1 . . . . A 86 LEU HA . 36323 1 786 . 1 . 1 73 73 LEU HB2 H 1 1.616 0.008 . . . . . . A 86 LEU HB2 . 36323 1 787 . 1 . 1 73 73 LEU HB3 H 1 1.477 0.009 . . . . . . A 86 LEU HB3 . 36323 1 788 . 1 . 1 73 73 LEU HG H 1 1.54 0.008 . 1 . . . . A 86 LEU HG . 36323 1 789 . 1 . 1 73 73 LEU HD11 H 1 0.933 0.005 . . . . . . A 86 LEU HD11 . 36323 1 790 . 1 . 1 73 73 LEU HD12 H 1 0.933 0.005 . . . . . . A 86 LEU HD12 . 36323 1 791 . 1 . 1 73 73 LEU HD13 H 1 0.933 0.005 . . . . . . A 86 LEU HD13 . 36323 1 792 . 1 . 1 73 73 LEU HD21 H 1 0.795 0.006 . . . . . . A 86 LEU HD21 . 36323 1 793 . 1 . 1 73 73 LEU HD22 H 1 0.795 0.006 . . . . . . A 86 LEU HD22 . 36323 1 794 . 1 . 1 73 73 LEU HD23 H 1 0.795 0.006 . . . . . . A 86 LEU HD23 . 36323 1 795 . 1 . 1 73 73 LEU C C 13 173.731 0.039 . 1 . . . . A 86 LEU C . 36323 1 796 . 1 . 1 73 73 LEU CA C 13 54.89 0.067 . 1 . . . . A 86 LEU CA . 36323 1 797 . 1 . 1 73 73 LEU CB C 13 39.864 0.066 . 1 . . . . A 86 LEU CB . 36323 1 798 . 1 . 1 73 73 LEU CG C 13 25.329 0 . 1 . . . . A 86 LEU CG . 36323 1 799 . 1 . 1 73 73 LEU CD1 C 13 23.542 0.095 . . . . . . A 86 LEU CD1 . 36323 1 800 . 1 . 1 73 73 LEU CD2 C 13 21.226 0.034 . . . . . . A 86 LEU CD2 . 36323 1 801 . 1 . 1 73 73 LEU N N 15 128.453 0.043 . 1 . . . . A 86 LEU N . 36323 1 802 . 1 . 1 74 74 HIS H H 1 7.89 0.005 . 1 . . . . A 87 HIS H . 36323 1 803 . 1 . 1 74 74 HIS HA H 1 4.963 0.006 . 1 . . . . A 87 HIS HA . 36323 1 804 . 1 . 1 74 74 HIS HB2 H 1 2.904 0.015 . . . . . . A 87 HIS HB2 . 36323 1 805 . 1 . 1 74 74 HIS C C 13 171.746 0 . 1 . . . . A 87 HIS C . 36323 1 806 . 1 . 1 74 74 HIS CA C 13 52.232 0.053 . 1 . . . . A 87 HIS CA . 36323 1 807 . 1 . 1 74 74 HIS CB C 13 30.784 0.097 . 1 . . . . A 87 HIS CB . 36323 1 808 . 1 . 1 74 74 HIS N N 15 116.065 0.036 . 1 . . . . A 87 HIS N . 36323 1 809 . 1 . 1 75 75 PHE HA H 1 3.506 0.009 . 1 . . . . A 88 PHE HA . 36323 1 810 . 1 . 1 75 75 PHE HB2 H 1 2.229 0.012 . . . . . . A 88 PHE HB2 . 36323 1 811 . 1 . 1 75 75 PHE HB3 H 1 1.203 0.01 . . . . . . A 88 PHE HB3 . 36323 1 812 . 1 . 1 75 75 PHE HD1 H 1 6.576 0.014 . . . . . . A 88 PHE HD1 . 36323 1 813 . 1 . 1 75 75 PHE HE1 H 1 7.131 0.021 . . . . . . A 88 PHE HE1 . 36323 1 814 . 1 . 1 75 75 PHE HZ H 1 7.167 0.007 . 1 . . . . A 88 PHE HZ . 36323 1 815 . 1 . 1 75 75 PHE C C 13 169.638 0.008 . 1 . . . . A 88 PHE C . 36323 1 816 . 1 . 1 75 75 PHE CA C 13 56.182 0.038 . 1 . . . . A 88 PHE CA . 36323 1 817 . 1 . 1 75 75 PHE CB C 13 35.177 0.076 . 1 . . . . A 88 PHE CB . 36323 1 818 . 1 . 1 76 76 ASP H H 1 6.214 0.006 . 1 . . . . A 89 ASP H . 36323 1 819 . 1 . 1 76 76 ASP HA H 1 4.75 0.009 . 1 . . . . A 89 ASP HA . 36323 1 820 . 1 . 1 76 76 ASP HB2 H 1 2.798 0.01 . . . . . . A 89 ASP HB2 . 36323 1 821 . 1 . 1 76 76 ASP HB3 H 1 2.389 0.007 . . . . . . A 89 ASP HB3 . 36323 1 822 . 1 . 1 76 76 ASP C C 13 171.073 0 . 1 . . . . A 89 ASP C . 36323 1 823 . 1 . 1 76 76 ASP CA C 13 47.276 0.051 . 1 . . . . A 89 ASP CA . 36323 1 824 . 1 . 1 76 76 ASP CB C 13 40.813 0.061 . 1 . . . . A 89 ASP CB . 36323 1 825 . 1 . 1 76 76 ASP N N 15 128.992 0.033 . 1 . . . . A 89 ASP N . 36323 1 826 . 1 . 1 77 77 PRO HA H 1 3.334 0.008 . 1 . . . . A 90 PRO HA . 36323 1 827 . 1 . 1 77 77 PRO HB2 H 1 2.123 0.012 . . . . . . A 90 PRO HB2 . 36323 1 828 . 1 . 1 77 77 PRO HB3 H 1 1.836 0.018 . . . . . . A 90 PRO HB3 . 36323 1 829 . 1 . 1 77 77 PRO HG2 H 1 1.931 0 . . . . . . A 90 PRO HG2 . 36323 1 830 . 1 . 1 77 77 PRO HD2 H 1 3.66 0.003 . . . . . . A 90 PRO HD2 . 36323 1 831 . 1 . 1 77 77 PRO C C 13 175.953 0 . 1 . . . . A 90 PRO C . 36323 1 832 . 1 . 1 77 77 PRO CA C 13 62.281 0.077 . 1 . . . . A 90 PRO CA . 36323 1 833 . 1 . 1 77 77 PRO CB C 13 29.5 0.068 . 1 . . . . A 90 PRO CB . 36323 1 834 . 1 . 1 77 77 PRO CG C 13 24.77 0.078 . 1 . . . . A 90 PRO CG . 36323 1 835 . 1 . 1 77 77 PRO CD C 13 48.507 0 . 1 . . . . A 90 PRO CD . 36323 1 836 . 1 . 1 78 78 GLU H H 1 7.705 0.013 . 1 . . . . A 91 GLU H . 36323 1 837 . 1 . 1 78 78 GLU HA H 1 3.844 0.008 . 1 . . . . A 91 GLU HA . 36323 1 838 . 1 . 1 78 78 GLU HB2 H 1 1.94 0.011 . . . . . . A 91 GLU HB2 . 36323 1 839 . 1 . 1 78 78 GLU HG2 H 1 2.076 0.014 . . . . . . A 91 GLU HG2 . 36323 1 840 . 1 . 1 78 78 GLU C C 13 174.353 0.012 . 1 . . . . A 91 GLU C . 36323 1 841 . 1 . 1 78 78 GLU CA C 13 56.593 0.046 . 1 . . . . A 91 GLU CA . 36323 1 842 . 1 . 1 78 78 GLU CB C 13 27.339 0.086 . 1 . . . . A 91 GLU CB . 36323 1 843 . 1 . 1 78 78 GLU CG C 13 34.636 0.047 . 1 . . . . A 91 GLU CG . 36323 1 844 . 1 . 1 78 78 GLU N N 15 116.666 0.034 . 1 . . . . A 91 GLU N . 36323 1 845 . 1 . 1 79 79 ALA H H 1 7.153 0.006 . 1 . . . . A 92 ALA H . 36323 1 846 . 1 . 1 79 79 ALA HA H 1 4.643 0.018 . 1 . . . . A 92 ALA HA . 36323 1 847 . 1 . 1 79 79 ALA HB1 H 1 1.624 0.018 . 1 . . . . A 92 ALA HB1 . 36323 1 848 . 1 . 1 79 79 ALA HB2 H 1 1.624 0.018 . 1 . . . . A 92 ALA HB2 . 36323 1 849 . 1 . 1 79 79 ALA HB3 H 1 1.624 0.018 . 1 . . . . A 92 ALA HB3 . 36323 1 850 . 1 . 1 79 79 ALA C C 13 176.981 0.009 . 1 . . . . A 92 ALA C . 36323 1 851 . 1 . 1 79 79 ALA CA C 13 50.782 0.025 . 1 . . . . A 92 ALA CA . 36323 1 852 . 1 . 1 79 79 ALA CB C 13 20.2 0.091 . 1 . . . . A 92 ALA CB . 36323 1 853 . 1 . 1 79 79 ALA N N 15 118.339 0.036 . 1 . . . . A 92 ALA N . 36323 1 854 . 1 . 1 80 80 CYS H H 1 7.601 0.009 . 1 . . . . A 93 CYS H . 36323 1 855 . 1 . 1 80 80 CYS HA H 1 5.184 0.012 . 1 . . . . A 93 CYS HA . 36323 1 856 . 1 . 1 80 80 CYS HB2 H 1 3.672 0.01 . . . . . . A 93 CYS HB2 . 36323 1 857 . 1 . 1 80 80 CYS HB3 H 1 2.877 0.01 . . . . . . A 93 CYS HB3 . 36323 1 858 . 1 . 1 80 80 CYS C C 13 171.16 0.009 . 1 . . . . A 93 CYS C . 36323 1 859 . 1 . 1 80 80 CYS CA C 13 53.046 0.047 . 1 . . . . A 93 CYS CA . 36323 1 860 . 1 . 1 80 80 CYS CB C 13 43.732 0.095 . 1 . . . . A 93 CYS CB . 36323 1 861 . 1 . 1 80 80 CYS N N 15 113.249 0.036 . 1 . . . . A 93 CYS N . 36323 1 862 . 1 . 1 81 81 SER H H 1 6.567 0.011 . 1 . . . . A 94 SER H . 36323 1 863 . 1 . 1 81 81 SER HA H 1 5.088 0.015 . 1 . . . . A 94 SER HA . 36323 1 864 . 1 . 1 81 81 SER HB2 H 1 3.745 0.014 . . . . . . A 94 SER HB2 . 36323 1 865 . 1 . 1 81 81 SER HB3 H 1 3.412 0.021 . . . . . . A 94 SER HB3 . 36323 1 866 . 1 . 1 81 81 SER HG H 1 6.099 0.02 . 1 . . . . A 94 SER HG . 36323 1 867 . 1 . 1 81 81 SER C C 13 171.548 0.001 . 1 . . . . A 94 SER C . 36323 1 868 . 1 . 1 81 81 SER CA C 13 55.58 0.045 . 1 . . . . A 94 SER CA . 36323 1 869 . 1 . 1 81 81 SER CB C 13 61.515 0.034 . 1 . . . . A 94 SER CB . 36323 1 870 . 1 . 1 81 81 SER N N 15 114.171 0.041 . 1 . . . . A 94 SER N . 36323 1 871 . 1 . 1 82 82 PHE H H 1 9.417 0.014 . 1 . . . . A 95 PHE H . 36323 1 872 . 1 . 1 82 82 PHE HA H 1 4.956 0.016 . 1 . . . . A 95 PHE HA . 36323 1 873 . 1 . 1 82 82 PHE HB2 H 1 2.892 0.012 . . . . . . A 95 PHE HB2 . 36323 1 874 . 1 . 1 82 82 PHE HB3 H 1 2.611 0.022 . . . . . . A 95 PHE HB3 . 36323 1 875 . 1 . 1 82 82 PHE HD1 H 1 6.876 0.024 . . . . . . A 95 PHE HD1 . 36323 1 876 . 1 . 1 82 82 PHE HE1 H 1 7.212 0.027 . . . . . . A 95 PHE HE1 . 36323 1 877 . 1 . 1 82 82 PHE HZ H 1 6.813 0.013 . 1 . . . . A 95 PHE HZ . 36323 1 878 . 1 . 1 82 82 PHE C C 13 171.855 0.004 . 1 . . . . A 95 PHE C . 36323 1 879 . 1 . 1 82 82 PHE CA C 13 55.64 0.05 . 1 . . . . A 95 PHE CA . 36323 1 880 . 1 . 1 82 82 PHE CB C 13 40.078 0.045 . 1 . . . . A 95 PHE CB . 36323 1 881 . 1 . 1 82 82 PHE N N 15 123.846 0.031 . 1 . . . . A 95 PHE N . 36323 1 882 . 1 . 1 83 83 ARG H H 1 9.686 0.009 . 1 . . . . A 96 ARG H . 36323 1 883 . 1 . 1 83 83 ARG HA H 1 5.011 0.007 . 1 . . . . A 96 ARG HA . 36323 1 884 . 1 . 1 83 83 ARG HB2 H 1 1.817 0.011 . . . . . . A 96 ARG HB2 . 36323 1 885 . 1 . 1 83 83 ARG HD2 H 1 3.208 0.006 . . . . . . A 96 ARG HD2 . 36323 1 886 . 1 . 1 83 83 ARG C C 13 172.109 0.001 . 1 . . . . A 96 ARG C . 36323 1 887 . 1 . 1 83 83 ARG CA C 13 53.399 0.046 . 1 . . . . A 96 ARG CA . 36323 1 888 . 1 . 1 83 83 ARG CB C 13 28.421 0.11 . 1 . . . . A 96 ARG CB . 36323 1 889 . 1 . 1 83 83 ARG N N 15 124.327 0.055 . 1 . . . . A 96 ARG N . 36323 1 890 . 1 . 1 84 84 GLU H H 1 8.331 0.007 . 1 . . . . A 97 GLU H . 36323 1 891 . 1 . 1 84 84 GLU HA H 1 4.49 0.021 . 1 . . . . A 97 GLU HA . 36323 1 892 . 1 . 1 84 84 GLU HB2 H 1 2.034 0.007 . . . . . . A 97 GLU HB2 . 36323 1 893 . 1 . 1 84 84 GLU HB3 H 1 1.685 0.009 . . . . . . A 97 GLU HB3 . 36323 1 894 . 1 . 1 84 84 GLU HG2 H 1 2.611 0.005 . . . . . . A 97 GLU HG2 . 36323 1 895 . 1 . 1 84 84 GLU HG3 H 1 2.551 0 . . . . . . A 97 GLU HG3 . 36323 1 896 . 1 . 1 84 84 GLU C C 13 171.435 0.01 . 1 . . . . A 97 GLU C . 36323 1 897 . 1 . 1 84 84 GLU CA C 13 52.366 0.1 . 1 . . . . A 97 GLU CA . 36323 1 898 . 1 . 1 84 84 GLU CB C 13 30.916 0.104 . 1 . . . . A 97 GLU CB . 36323 1 899 . 1 . 1 84 84 GLU CG C 13 34.826 0.082 . 1 . . . . A 97 GLU CG . 36323 1 900 . 1 . 1 84 84 GLU N N 15 126.807 0.032 . 1 . . . . A 97 GLU N . 36323 1 901 . 1 . 1 85 85 LEU H H 1 8.819 0.007 . 1 . . . . A 98 LEU H . 36323 1 902 . 1 . 1 85 85 LEU HA H 1 4.575 0.011 . 1 . . . . A 98 LEU HA . 36323 1 903 . 1 . 1 85 85 LEU HB2 H 1 1.473 0 . . . . . . A 98 LEU HB2 . 36323 1 904 . 1 . 1 85 85 LEU HB3 H 1 1.372 0.007 . . . . . . A 98 LEU HB3 . 36323 1 905 . 1 . 1 85 85 LEU HG H 1 1.564 0.011 . 1 . . . . A 98 LEU HG . 36323 1 906 . 1 . 1 85 85 LEU HD11 H 1 0.77 0.001 . . . . . . A 98 LEU HD11 . 36323 1 907 . 1 . 1 85 85 LEU HD12 H 1 0.77 0.001 . . . . . . A 98 LEU HD12 . 36323 1 908 . 1 . 1 85 85 LEU HD13 H 1 0.77 0.001 . . . . . . A 98 LEU HD13 . 36323 1 909 . 1 . 1 85 85 LEU HD21 H 1 0.702 0.008 . . . . . . A 98 LEU HD21 . 36323 1 910 . 1 . 1 85 85 LEU HD22 H 1 0.702 0.008 . . . . . . A 98 LEU HD22 . 36323 1 911 . 1 . 1 85 85 LEU HD23 H 1 0.702 0.008 . . . . . . A 98 LEU HD23 . 36323 1 912 . 1 . 1 85 85 LEU C C 13 172.248 0.023 . 1 . . . . A 98 LEU C . 36323 1 913 . 1 . 1 85 85 LEU CA C 13 51.817 0.046 . 1 . . . . A 98 LEU CA . 36323 1 914 . 1 . 1 85 85 LEU CB C 13 40.885 0.063 . 1 . . . . A 98 LEU CB . 36323 1 915 . 1 . 1 85 85 LEU CD2 C 13 21.619 0.026 . . . . . . A 98 LEU CD2 . 36323 1 916 . 1 . 1 85 85 LEU N N 15 129.913 0.036 . 1 . . . . A 98 LEU N . 36323 1 917 . 1 . 1 86 86 LEU H H 1 8.29 0.01 . 1 . . . . A 99 LEU H . 36323 1 918 . 1 . 1 86 86 LEU HA H 1 4.618 0.019 . 1 . . . . A 99 LEU HA . 36323 1 919 . 1 . 1 86 86 LEU HB2 H 1 1.498 0.003 . . . . . . A 99 LEU HB2 . 36323 1 920 . 1 . 1 86 86 LEU HB3 H 1 1.42 0.011 . . . . . . A 99 LEU HB3 . 36323 1 921 . 1 . 1 86 86 LEU HG H 1 1.532 0.005 . 1 . . . . A 99 LEU HG . 36323 1 922 . 1 . 1 86 86 LEU HD11 H 1 0.761 0.011 . . . . . . A 99 LEU HD11 . 36323 1 923 . 1 . 1 86 86 LEU HD12 H 1 0.761 0.011 . . . . . . A 99 LEU HD12 . 36323 1 924 . 1 . 1 86 86 LEU HD13 H 1 0.761 0.011 . . . . . . A 99 LEU HD13 . 36323 1 925 . 1 . 1 86 86 LEU HD21 H 1 0.736 0.003 . . . . . . A 99 LEU HD21 . 36323 1 926 . 1 . 1 86 86 LEU HD22 H 1 0.736 0.003 . . . . . . A 99 LEU HD22 . 36323 1 927 . 1 . 1 86 86 LEU HD23 H 1 0.736 0.003 . . . . . . A 99 LEU HD23 . 36323 1 928 . 1 . 1 86 86 LEU C C 13 174.108 0.019 . 1 . . . . A 99 LEU C . 36323 1 929 . 1 . 1 86 86 LEU CA C 13 52.23 0.081 . 1 . . . . A 99 LEU CA . 36323 1 930 . 1 . 1 86 86 LEU CB C 13 40.219 0 . 1 . . . . A 99 LEU CB . 36323 1 931 . 1 . 1 86 86 LEU CG C 13 23.888 0 . 1 . . . . A 99 LEU CG . 36323 1 932 . 1 . 1 86 86 LEU CD1 C 13 21.783 0.049 . . . . . . A 99 LEU CD1 . 36323 1 933 . 1 . 1 86 86 LEU CD2 C 13 20.215 0.019 . . . . . . A 99 LEU CD2 . 36323 1 934 . 1 . 1 86 86 LEU N N 15 125.522 0.05 . 1 . . . . A 99 LEU N . 36323 1 935 . 1 . 1 87 87 LEU H H 1 8.836 0.012 . 1 . . . . A 100 LEU H . 36323 1 936 . 1 . 1 87 87 LEU HA H 1 4.593 0.013 . 1 . . . . A 100 LEU HA . 36323 1 937 . 1 . 1 87 87 LEU HB2 H 1 1.584 0.01 . . . . . . A 100 LEU HB2 . 36323 1 938 . 1 . 1 87 87 LEU HG H 1 2.19 0.012 . 1 . . . . A 100 LEU HG . 36323 1 939 . 1 . 1 87 87 LEU HD11 H 1 0.815 0.005 . . . . . . A 100 LEU HD11 . 36323 1 940 . 1 . 1 87 87 LEU HD12 H 1 0.815 0.005 . . . . . . A 100 LEU HD12 . 36323 1 941 . 1 . 1 87 87 LEU HD13 H 1 0.815 0.005 . . . . . . A 100 LEU HD13 . 36323 1 942 . 1 . 1 87 87 LEU HD21 H 1 0.763 0.018 . . . . . . A 100 LEU HD21 . 36323 1 943 . 1 . 1 87 87 LEU HD22 H 1 0.763 0.018 . . . . . . A 100 LEU HD22 . 36323 1 944 . 1 . 1 87 87 LEU HD23 H 1 0.763 0.018 . . . . . . A 100 LEU HD23 . 36323 1 945 . 1 . 1 87 87 LEU C C 13 176.588 0.009 . 1 . . . . A 100 LEU C . 36323 1 946 . 1 . 1 87 87 LEU CA C 13 51.794 0.082 . 1 . . . . A 100 LEU CA . 36323 1 947 . 1 . 1 87 87 LEU CB C 13 40.22 0.061 . 1 . . . . A 100 LEU CB . 36323 1 948 . 1 . 1 87 87 LEU CD1 C 13 23.676 0 . . . . . . A 100 LEU CD1 . 36323 1 949 . 1 . 1 87 87 LEU CD2 C 13 19.881 0 . . . . . . A 100 LEU CD2 . 36323 1 950 . 1 . 1 87 87 LEU N N 15 125.777 0.079 . 1 . . . . A 100 LEU N . 36323 1 951 . 1 . 1 88 88 GLU H H 1 8.828 0.009 . 1 . . . . A 101 GLU H . 36323 1 952 . 1 . 1 88 88 GLU HA H 1 4.052 0.005 . 1 . . . . A 101 GLU HA . 36323 1 953 . 1 . 1 88 88 GLU HB2 H 1 2.048 0.009 . . . . . . A 101 GLU HB2 . 36323 1 954 . 1 . 1 88 88 GLU HG2 H 1 2.277 0.016 . . . . . . A 101 GLU HG2 . 36323 1 955 . 1 . 1 88 88 GLU C C 13 173.744 0 . 1 . . . . A 101 GLU C . 36323 1 956 . 1 . 1 88 88 GLU CA C 13 56.431 0.062 . 1 . . . . A 101 GLU CA . 36323 1 957 . 1 . 1 88 88 GLU CB C 13 27.239 0.039 . 1 . . . . A 101 GLU CB . 36323 1 958 . 1 . 1 88 88 GLU CG C 13 34.259 0.066 . 1 . . . . A 101 GLU CG . 36323 1 959 . 1 . 1 88 88 GLU N N 15 120.065 0.052 . 1 . . . . A 101 GLU N . 36323 1 960 . 1 . 1 89 89 ASP H H 1 8.045 0.004 . 1 . . . . A 102 ASP H . 36323 1 961 . 1 . 1 89 89 ASP HA H 1 4.459 0.008 . 1 . . . . A 102 ASP HA . 36323 1 962 . 1 . 1 89 89 ASP HB2 H 1 3.054 0.008 . . . . . . A 102 ASP HB2 . 36323 1 963 . 1 . 1 89 89 ASP HB3 H 1 2.643 0.003 . . . . . . A 102 ASP HB3 . 36323 1 964 . 1 . 1 89 89 ASP C C 13 173.892 0.024 . 1 . . . . A 102 ASP C . 36323 1 965 . 1 . 1 89 89 ASP CA C 13 51.516 0.019 . 1 . . . . A 102 ASP CA . 36323 1 966 . 1 . 1 89 89 ASP CB C 13 37.906 0.029 . 1 . . . . A 102 ASP CB . 36323 1 967 . 1 . 1 89 89 ASP N N 15 115.845 0.047 . 1 . . . . A 102 ASP N . 36323 1 968 . 1 . 1 90 90 GLY H H 1 7.889 0.009 . 1 . . . . A 103 GLY H . 36323 1 969 . 1 . 1 90 90 GLY HA2 H 1 4.116 0.01 . . . . . . A 103 GLY HA2 . 36323 1 970 . 1 . 1 90 90 GLY HA3 H 1 3.551 0.013 . . . . . . A 103 GLY HA3 . 36323 1 971 . 1 . 1 90 90 GLY C C 13 171.161 0.013 . 1 . . . . A 103 GLY C . 36323 1 972 . 1 . 1 90 90 GLY CA C 13 43.276 0.07 . 1 . . . . A 103 GLY CA . 36323 1 973 . 1 . 1 90 90 GLY N N 15 105.855 0.044 . 1 . . . . A 103 GLY N . 36323 1 974 . 1 . 1 91 91 TYR H H 1 7.517 0.011 . 1 . . . . A 104 TYR H . 36323 1 975 . 1 . 1 91 91 TYR HA H 1 4.702 0.013 . 1 . . . . A 104 TYR HA . 36323 1 976 . 1 . 1 91 91 TYR HB2 H 1 3.032 0.016 . . . . . . A 104 TYR HB2 . 36323 1 977 . 1 . 1 91 91 TYR HB3 H 1 2.652 0.015 . . . . . . A 104 TYR HB3 . 36323 1 978 . 1 . 1 91 91 TYR HD1 H 1 6.839 0.022 . . . . . . A 104 TYR HD1 . 36323 1 979 . 1 . 1 91 91 TYR HE1 H 1 7.219 0 . . . . . . A 104 TYR HE1 . 36323 1 980 . 1 . 1 91 91 TYR C C 13 171.581 0.005 . 1 . . . . A 104 TYR C . 36323 1 981 . 1 . 1 91 91 TYR CA C 13 55.921 0.043 . 1 . . . . A 104 TYR CA . 36323 1 982 . 1 . 1 91 91 TYR CB C 13 37.827 0.051 . 1 . . . . A 104 TYR CB . 36323 1 983 . 1 . 1 91 91 TYR N N 15 118.799 0.057 . 1 . . . . A 104 TYR N . 36323 1 984 . 1 . 1 92 92 ASN H H 1 9.651 0.008 . 1 . . . . A 105 ASN H . 36323 1 985 . 1 . 1 92 92 ASN HA H 1 5.686 0.013 . 1 . . . . A 105 ASN HA . 36323 1 986 . 1 . 1 92 92 ASN HB2 H 1 2.489 0.012 . . . . . . A 105 ASN HB2 . 36323 1 987 . 1 . 1 92 92 ASN HB3 H 1 2.215 0.013 . . . . . . A 105 ASN HB3 . 36323 1 988 . 1 . 1 92 92 ASN HD21 H 1 6.701 0.004 . . . . . . A 105 ASN HD21 . 36323 1 989 . 1 . 1 92 92 ASN HD22 H 1 6.589 0.005 . . . . . . A 105 ASN HD22 . 36323 1 990 . 1 . 1 92 92 ASN C C 13 172.117 0.007 . 1 . . . . A 105 ASN C . 36323 1 991 . 1 . 1 92 92 ASN CA C 13 49.917 0.079 . 1 . . . . A 105 ASN CA . 36323 1 992 . 1 . 1 92 92 ASN CB C 13 40.369 0.103 . 1 . . . . A 105 ASN CB . 36323 1 993 . 1 . 1 92 92 ASN N N 15 117.699 0.041 . 1 . . . . A 105 ASN N . 36323 1 994 . 1 . 1 92 92 ASN ND2 N 15 107.53 0.052 . 1 . . . . A 105 ASN ND2 . 36323 1 995 . 1 . 1 93 93 VAL H H 1 8.356 0.007 . 1 . . . . A 106 VAL H . 36323 1 996 . 1 . 1 93 93 VAL HA H 1 4.754 0.008 . 1 . . . . A 106 VAL HA . 36323 1 997 . 1 . 1 93 93 VAL HB H 1 1.956 0.01 . 1 . . . . A 106 VAL HB . 36323 1 998 . 1 . 1 93 93 VAL HG11 H 1 0.933 0.016 . . . . . . A 106 VAL HG11 . 36323 1 999 . 1 . 1 93 93 VAL HG12 H 1 0.933 0.016 . . . . . . A 106 VAL HG12 . 36323 1 1000 . 1 . 1 93 93 VAL HG13 H 1 0.933 0.016 . . . . . . A 106 VAL HG13 . 36323 1 1001 . 1 . 1 93 93 VAL HG21 H 1 0.828 0.004 . . . . . . A 106 VAL HG21 . 36323 1 1002 . 1 . 1 93 93 VAL HG22 H 1 0.828 0.004 . . . . . . A 106 VAL HG22 . 36323 1 1003 . 1 . 1 93 93 VAL HG23 H 1 0.828 0.004 . . . . . . A 106 VAL HG23 . 36323 1 1004 . 1 . 1 93 93 VAL C C 13 170.834 0 . 1 . . . . A 106 VAL C . 36323 1 1005 . 1 . 1 93 93 VAL CA C 13 57.782 0.082 . 1 . . . . A 106 VAL CA . 36323 1 1006 . 1 . 1 93 93 VAL CB C 13 33.681 0.094 . 1 . . . . A 106 VAL CB . 36323 1 1007 . 1 . 1 93 93 VAL CG1 C 13 19.896 0.059 . . . . . . A 106 VAL CG1 . 36323 1 1008 . 1 . 1 93 93 VAL CG2 C 13 18.831 0.048 . . . . . . A 106 VAL CG2 . 36323 1 1009 . 1 . 1 93 93 VAL N N 15 114.92 0.078 . 1 . . . . A 106 VAL N . 36323 1 1010 . 1 . 1 94 94 TYR H H 1 9.223 0.012 . 1 . . . . A 107 TYR H . 36323 1 1011 . 1 . 1 94 94 TYR HA H 1 5.688 0.008 . 1 . . . . A 107 TYR HA . 36323 1 1012 . 1 . 1 94 94 TYR HB2 H 1 2.579 0.019 . . . . . . A 107 TYR HB2 . 36323 1 1013 . 1 . 1 94 94 TYR HB3 H 1 2.444 0.003 . . . . . . A 107 TYR HB3 . 36323 1 1014 . 1 . 1 94 94 TYR HD1 H 1 6.826 0.023 . . . . . . A 107 TYR HD1 . 36323 1 1015 . 1 . 1 94 94 TYR HE1 H 1 6.741 0 . . . . . . A 107 TYR HE1 . 36323 1 1016 . 1 . 1 94 94 TYR HE2 H 1 6.421 0.025 . . . . . . A 107 TYR HE2 . 36323 1 1017 . 1 . 1 94 94 TYR HH H 1 9.5 0.005 . 1 . . . . A 107 TYR HH . 36323 1 1018 . 1 . 1 94 94 TYR C C 13 173.051 0.011 . 1 . . . . A 107 TYR C . 36323 1 1019 . 1 . 1 94 94 TYR CA C 13 54.219 0.047 . 1 . . . . A 107 TYR CA . 36323 1 1020 . 1 . 1 94 94 TYR CB C 13 40.364 0.046 . 1 . . . . A 107 TYR CB . 36323 1 1021 . 1 . 1 94 94 TYR N N 15 120.192 0.087 . 1 . . . . A 107 TYR N . 36323 1 1022 . 1 . 1 95 95 GLN H H 1 8.573 0.016 . 1 . . . . A 108 GLN H . 36323 1 1023 . 1 . 1 95 95 GLN HA H 1 5.247 0.007 . 1 . . . . A 108 GLN HA . 36323 1 1024 . 1 . 1 95 95 GLN HB2 H 1 1.944 0.015 . . . . . . A 108 GLN HB2 . 36323 1 1025 . 1 . 1 95 95 GLN HB3 H 1 1.658 0.01 . . . . . . A 108 GLN HB3 . 36323 1 1026 . 1 . 1 95 95 GLN HG2 H 1 2.108 0.02 . . . . . . A 108 GLN HG2 . 36323 1 1027 . 1 . 1 95 95 GLN HE21 H 1 7.468 0.018 . . . . . . A 108 GLN HE21 . 36323 1 1028 . 1 . 1 95 95 GLN HE22 H 1 6.667 0.004 . . . . . . A 108 GLN HE22 . 36323 1 1029 . 1 . 1 95 95 GLN C C 13 172.836 0 . 1 . . . . A 108 GLN C . 36323 1 1030 . 1 . 1 95 95 GLN CA C 13 51.089 0.054 . 1 . . . . A 108 GLN CA . 36323 1 1031 . 1 . 1 95 95 GLN CB C 13 31.137 0.088 . 1 . . . . A 108 GLN CB . 36323 1 1032 . 1 . 1 95 95 GLN N N 15 117.91 0.041 . 1 . . . . A 108 GLN N . 36323 1 1033 . 1 . 1 95 95 GLN NE2 N 15 110.666 0.033 . 1 . . . . A 108 GLN NE2 . 36323 1 1034 . 1 . 1 96 96 SER H H 1 9.298 0.009 . 1 . . . . A 109 SER H . 36323 1 1035 . 1 . 1 96 96 SER HA H 1 4.015 0.011 . 1 . . . . A 109 SER HA . 36323 1 1036 . 1 . 1 96 96 SER HB2 H 1 4.259 0.013 . . . . . . A 109 SER HB2 . 36323 1 1037 . 1 . 1 96 96 SER HB3 H 1 3.89 0.005 . . . . . . A 109 SER HB3 . 36323 1 1038 . 1 . 1 96 96 SER CA C 13 56.203 0.073 . 1 . . . . A 109 SER CA . 36323 1 1039 . 1 . 1 96 96 SER CB C 13 60.96 0.076 . 1 . . . . A 109 SER CB . 36323 1 1040 . 1 . 1 96 96 SER N N 15 120.768 0.045 . 1 . . . . A 109 SER N . 36323 1 1041 . 1 . 1 97 97 GLU H H 1 8.008 0.013 . 1 . . . . A 110 GLU H . 36323 1 1042 . 1 . 1 97 97 GLU HA H 1 3.967 0.011 . 1 . . . . A 110 GLU HA . 36323 1 1043 . 1 . 1 97 97 GLU HB2 H 1 1.854 0.026 . . . . . . A 110 GLU HB2 . 36323 1 1044 . 1 . 1 97 97 GLU HB3 H 1 1.519 0.019 . . . . . . A 110 GLU HB3 . 36323 1 1045 . 1 . 1 97 97 GLU HG2 H 1 2.027 0.013 . . . . . . A 110 GLU HG2 . 36323 1 1046 . 1 . 1 97 97 GLU C C 13 174.576 0.007 . 1 . . . . A 110 GLU C . 36323 1 1047 . 1 . 1 97 97 GLU CA C 13 56.704 0.127 . 1 . . . . A 110 GLU CA . 36323 1 1048 . 1 . 1 97 97 GLU CB C 13 27.361 0.101 . 1 . . . . A 110 GLU CB . 36323 1 1049 . 1 . 1 97 97 GLU CG C 13 33.266 0.103 . 1 . . . . A 110 GLU CG . 36323 1 1050 . 1 . 1 97 97 GLU N N 15 128.816 0.041 . 1 . . . . A 110 GLU N . 36323 1 1051 . 1 . 1 98 98 ALA H H 1 8.718 0.006 . 1 . . . . A 111 ALA H . 36323 1 1052 . 1 . 1 98 98 ALA HA H 1 3.976 0.01 . 1 . . . . A 111 ALA HA . 36323 1 1053 . 1 . 1 98 98 ALA HB1 H 1 0.983 0.012 . 1 . . . . A 111 ALA HB1 . 36323 1 1054 . 1 . 1 98 98 ALA HB2 H 1 0.983 0.012 . 1 . . . . A 111 ALA HB2 . 36323 1 1055 . 1 . 1 98 98 ALA HB3 H 1 0.983 0.012 . 1 . . . . A 111 ALA HB3 . 36323 1 1056 . 1 . 1 98 98 ALA C C 13 176.76 0.012 . 1 . . . . A 111 ALA C . 36323 1 1057 . 1 . 1 98 98 ALA CA C 13 52.272 0.064 . 1 . . . . A 111 ALA CA . 36323 1 1058 . 1 . 1 98 98 ALA CB C 13 16.558 0.063 . 1 . . . . A 111 ALA CB . 36323 1 1059 . 1 . 1 98 98 ALA N N 15 119.285 0.064 . 1 . . . . A 111 ALA N . 36323 1 1060 . 1 . 1 99 99 HIS H H 1 6.964 0.013 . 1 . . . . A 112 HIS H . 36323 1 1061 . 1 . 1 99 99 HIS HA H 1 4.861 0.02 . 1 . . . . A 112 HIS HA . 36323 1 1062 . 1 . 1 99 99 HIS HB2 H 1 3.225 0.013 . . . . . . A 112 HIS HB2 . 36323 1 1063 . 1 . 1 99 99 HIS HB3 H 1 2.869 0.009 . . . . . . A 112 HIS HB3 . 36323 1 1064 . 1 . 1 99 99 HIS C C 13 173.982 0.002 . 1 . . . . A 112 HIS C . 36323 1 1065 . 1 . 1 99 99 HIS CA C 13 52.632 0.064 . 1 . . . . A 112 HIS CA . 36323 1 1066 . 1 . 1 99 99 HIS CB C 13 29.614 0.078 . 1 . . . . A 112 HIS CB . 36323 1 1067 . 1 . 1 99 99 HIS N N 15 109.717 0.044 . 1 . . . . A 112 HIS N . 36323 1 1068 . 1 . 1 100 100 GLY H H 1 7.763 0.008 . 1 . . . . A 113 GLY H . 36323 1 1069 . 1 . 1 100 100 GLY HA2 H 1 3.912 0.006 . . . . . . A 113 GLY HA2 . 36323 1 1070 . 1 . 1 100 100 GLY HA3 H 1 3.834 0.017 . . . . . . A 113 GLY HA3 . 36323 1 1071 . 1 . 1 100 100 GLY C C 13 171.241 0.016 . 1 . . . . A 113 GLY C . 36323 1 1072 . 1 . 1 100 100 GLY CA C 13 44.283 0.068 . 1 . . . . A 113 GLY CA . 36323 1 1073 . 1 . 1 100 100 GLY N N 15 108.676 0.048 . 1 . . . . A 113 GLY N . 36323 1 1074 . 1 . 1 101 101 LEU H H 1 7.204 0.007 . 1 . . . . A 114 LEU H . 36323 1 1075 . 1 . 1 101 101 LEU HA H 1 4.731 0.008 . 1 . . . . A 114 LEU HA . 36323 1 1076 . 1 . 1 101 101 LEU HB2 H 1 1.791 0.004 . . . . . . A 114 LEU HB2 . 36323 1 1077 . 1 . 1 101 101 LEU HG H 1 1.542 0.005 . 1 . . . . A 114 LEU HG . 36323 1 1078 . 1 . 1 101 101 LEU HD11 H 1 0.836 0.013 . . . . . . A 114 LEU HD11 . 36323 1 1079 . 1 . 1 101 101 LEU HD12 H 1 0.836 0.013 . . . . . . A 114 LEU HD12 . 36323 1 1080 . 1 . 1 101 101 LEU HD13 H 1 0.836 0.013 . . . . . . A 114 LEU HD13 . 36323 1 1081 . 1 . 1 101 101 LEU HD21 H 1 0.742 0.011 . . . . . . A 114 LEU HD21 . 36323 1 1082 . 1 . 1 101 101 LEU HD22 H 1 0.742 0.011 . . . . . . A 114 LEU HD22 . 36323 1 1083 . 1 . 1 101 101 LEU HD23 H 1 0.742 0.011 . . . . . . A 114 LEU HD23 . 36323 1 1084 . 1 . 1 101 101 LEU C C 13 172.636 0 . 1 . . . . A 114 LEU C . 36323 1 1085 . 1 . 1 101 101 LEU CA C 13 50.09 0.034 . 1 . . . . A 114 LEU CA . 36323 1 1086 . 1 . 1 101 101 LEU CB C 13 39.651 0.019 . 1 . . . . A 114 LEU CB . 36323 1 1087 . 1 . 1 101 101 LEU CD1 C 13 20.897 0.055 . . . . . . A 114 LEU CD1 . 36323 1 1088 . 1 . 1 101 101 LEU N N 15 119.568 0.043 . 1 . . . . A 114 LEU N . 36323 1 1089 . 1 . 1 102 102 PRO HA H 1 4.754 0.016 . 1 . . . . A 115 PRO HA . 36323 1 1090 . 1 . 1 102 102 PRO HB2 H 1 2.263 0.012 . . . . . . A 115 PRO HB2 . 36323 1 1091 . 1 . 1 102 102 PRO HB3 H 1 1.639 0 . . . . . . A 115 PRO HB3 . 36323 1 1092 . 1 . 1 102 102 PRO HG2 H 1 2.074 0 . . . . . . A 115 PRO HG2 . 36323 1 1093 . 1 . 1 102 102 PRO C C 13 173.573 0.021 . 1 . . . . A 115 PRO C . 36323 1 1094 . 1 . 1 102 102 PRO CA C 13 60.405 0.067 . 1 . . . . A 115 PRO CA . 36323 1 1095 . 1 . 1 102 102 PRO CB C 13 30.247 0.024 . 1 . . . . A 115 PRO CB . 36323 1 1096 . 1 . 1 103 103 LEU H H 1 8.449 0.011 . 1 . . . . A 116 LEU H . 36323 1 1097 . 1 . 1 103 103 LEU HA H 1 4.416 0.013 . 1 . . . . A 116 LEU HA . 36323 1 1098 . 1 . 1 103 103 LEU HB2 H 1 1.933 0.021 . . . . . . A 116 LEU HB2 . 36323 1 1099 . 1 . 1 103 103 LEU HB3 H 1 1.272 0.005 . . . . . . A 116 LEU HB3 . 36323 1 1100 . 1 . 1 103 103 LEU HG H 1 1.344 0.01 . 1 . . . . A 116 LEU HG . 36323 1 1101 . 1 . 1 103 103 LEU HD11 H 1 0.267 0.007 . . . . . . A 116 LEU HD11 . 36323 1 1102 . 1 . 1 103 103 LEU HD12 H 1 0.267 0.007 . . . . . . A 116 LEU HD12 . 36323 1 1103 . 1 . 1 103 103 LEU HD13 H 1 0.267 0.007 . . . . . . A 116 LEU HD13 . 36323 1 1104 . 1 . 1 103 103 LEU HD21 H 1 0.236 0.008 . . . . . . A 116 LEU HD21 . 36323 1 1105 . 1 . 1 103 103 LEU HD22 H 1 0.236 0.008 . . . . . . A 116 LEU HD22 . 36323 1 1106 . 1 . 1 103 103 LEU HD23 H 1 0.236 0.008 . . . . . . A 116 LEU HD23 . 36323 1 1107 . 1 . 1 103 103 LEU C C 13 172.674 0 . 1 . . . . A 116 LEU C . 36323 1 1108 . 1 . 1 103 103 LEU CA C 13 53.626 0.087 . 1 . . . . A 116 LEU CA . 36323 1 1109 . 1 . 1 103 103 LEU CB C 13 40.82 0.073 . 1 . . . . A 116 LEU CB . 36323 1 1110 . 1 . 1 103 103 LEU CG C 13 25.965 0.02 . 1 . . . . A 116 LEU CG . 36323 1 1111 . 1 . 1 103 103 LEU CD1 C 13 23.488 0.066 . . . . . . A 116 LEU CD1 . 36323 1 1112 . 1 . 1 103 103 LEU CD2 C 13 22.245 0.067 . . . . . . A 116 LEU CD2 . 36323 1 1113 . 1 . 1 103 103 LEU N N 15 123.477 0.053 . 1 . . . . A 116 LEU N . 36323 1 1114 . 1 . 1 104 104 HIS H H 1 7.997 0.019 . 1 . . . . A 117 HIS H . 36323 1 1115 . 1 . 1 104 104 HIS HA H 1 4.732 0.016 . 1 . . . . A 117 HIS HA . 36323 1 1116 . 1 . 1 104 104 HIS HB2 H 1 3.067 0.018 . . . . . . A 117 HIS HB2 . 36323 1 1117 . 1 . 1 104 104 HIS HD2 H 1 6.804 0.055 . 1 . . . . A 117 HIS HD2 . 36323 1 1118 . 1 . 1 104 104 HIS HE1 H 1 7.211 0.017 . 1 . . . . A 117 HIS HE1 . 36323 1 1119 . 1 . 1 104 104 HIS C C 13 170.399 0.004 . 1 . . . . A 117 HIS C . 36323 1 1120 . 1 . 1 104 104 HIS CA C 13 52.358 0.011 . 1 . . . . A 117 HIS CA . 36323 1 1121 . 1 . 1 104 104 HIS CB C 13 30.171 0.064 . 1 . . . . A 117 HIS CB . 36323 1 1122 . 1 . 1 104 104 HIS N N 15 124.856 0.034 . 1 . . . . A 117 HIS N . 36323 1 1123 . 1 . 1 105 105 LEU H H 1 8.676 0.016 . 1 . . . . A 118 LEU H . 36323 1 1124 . 1 . 1 105 105 LEU HA H 1 4.547 0.013 . 1 . . . . A 118 LEU HA . 36323 1 1125 . 1 . 1 105 105 LEU HB2 H 1 1.494 0.01 . . . . . . A 118 LEU HB2 . 36323 1 1126 . 1 . 1 105 105 LEU HD11 H 1 0.745 0.007 . . . . . . A 118 LEU HD11 . 36323 1 1127 . 1 . 1 105 105 LEU HD12 H 1 0.745 0.007 . . . . . . A 118 LEU HD12 . 36323 1 1128 . 1 . 1 105 105 LEU HD13 H 1 0.745 0.007 . . . . . . A 118 LEU HD13 . 36323 1 1129 . 1 . 1 105 105 LEU HD21 H 1 0.709 0.008 . . . . . . A 118 LEU HD21 . 36323 1 1130 . 1 . 1 105 105 LEU HD22 H 1 0.709 0.008 . . . . . . A 118 LEU HD22 . 36323 1 1131 . 1 . 1 105 105 LEU HD23 H 1 0.709 0.008 . . . . . . A 118 LEU HD23 . 36323 1 1132 . 1 . 1 105 105 LEU C C 13 172.361 0 . 1 . . . . A 118 LEU C . 36323 1 1133 . 1 . 1 105 105 LEU CA C 13 50.328 0.07 . 1 . . . . A 118 LEU CA . 36323 1 1134 . 1 . 1 105 105 LEU CB C 13 39.217 0 . 1 . . . . A 118 LEU CB . 36323 1 1135 . 1 . 1 105 105 LEU CG C 13 25.044 0 . 1 . . . . A 118 LEU CG . 36323 1 1136 . 1 . 1 105 105 LEU CD1 C 13 23.126 0.079 . . . . . . A 118 LEU CD1 . 36323 1 1137 . 1 . 1 105 105 LEU CD2 C 13 21.953 0.107 . . . . . . A 118 LEU CD2 . 36323 1 1138 . 1 . 1 105 105 LEU N N 15 121.799 0.037 . 1 . . . . A 118 LEU N . 36323 1 1139 . 1 . 1 106 106 PRO HA H 1 4.347 0.005 . 1 . . . . A 119 PRO HA . 36323 1 1140 . 1 . 1 106 106 PRO HB2 H 1 2.199 0.012 . . . . . . A 119 PRO HB2 . 36323 1 1141 . 1 . 1 106 106 PRO HB3 H 1 1.907 0.021 . . . . . . A 119 PRO HB3 . 36323 1 1142 . 1 . 1 106 106 PRO HG2 H 1 1.941 0.004 . . . . . . A 119 PRO HG2 . 36323 1 1143 . 1 . 1 106 106 PRO HD2 H 1 3.779 0.025 . . . . . . A 119 PRO HD2 . 36323 1 1144 . 1 . 1 106 106 PRO HD3 H 1 3.5 0.02 . . . . . . A 119 PRO HD3 . 36323 1 1145 . 1 . 1 106 106 PRO C C 13 173.639 0.011 . 1 . . . . A 119 PRO C . 36323 1 1146 . 1 . 1 106 106 PRO CA C 13 61.119 0.082 . 1 . . . . A 119 PRO CA . 36323 1 1147 . 1 . 1 106 106 PRO CB C 13 29.877 0.057 . 1 . . . . A 119 PRO CB . 36323 1 1148 . 1 . 1 106 106 PRO CG C 13 25.13 0.024 . 1 . . . . A 119 PRO CG . 36323 1 1149 . 1 . 1 106 106 PRO CD C 13 48.442 0.047 . 1 . . . . A 119 PRO CD . 36323 1 1150 . 1 . 1 107 107 GLY H H 1 7.824 0.003 . 1 . . . . A 120 GLY H . 36323 1 1151 . 1 . 1 107 107 GLY HA2 H 1 4.742 0.009 . . . . . . A 120 GLY HA2 . 36323 1 1152 . 1 . 1 107 107 GLY HA3 H 1 3.694 0.005 . . . . . . A 120 GLY HA3 . 36323 1 1153 . 1 . 1 107 107 GLY C C 13 176.323 0 . 1 . . . . A 120 GLY C . 36323 1 1154 . 1 . 1 107 107 GLY CA C 13 43.898 0.012 . 1 . . . . A 120 GLY CA . 36323 1 1155 . 1 . 1 107 107 GLY N N 15 115.128 0.038 . 1 . . . . A 120 GLY N . 36323 1 1156 . 1 . 1 108 108 ASN HA H 1 4.612 0 . 1 . . . . A 121 ASN HA . 36323 1 1157 . 1 . 1 108 108 ASN HD21 H 1 7.53 0.035 . . . . . . A 121 ASN HD21 . 36323 1 1158 . 1 . 1 108 108 ASN HD22 H 1 6.944 0.002 . . . . . . A 121 ASN HD22 . 36323 1 1159 . 1 . 1 108 108 ASN ND2 N 15 112.906 0.024 . 1 . . . . A 121 ASN ND2 . 36323 1 1160 . 1 . 1 113 113 ARG C C 13 172.813 0 . 1 . . . . A 126 ARG C . 36323 1 1161 . 1 . 1 113 113 ARG CA C 13 53.804 0 . 1 . . . . A 126 ARG CA . 36323 1 1162 . 1 . 1 113 113 ARG CB C 13 28.423 0 . 1 . . . . A 126 ARG CB . 36323 1 1163 . 1 . 1 114 114 ASP H H 1 8.275 0.004 . 1 . . . . A 127 ASP H . 36323 1 1164 . 1 . 1 114 114 ASP C C 13 171.742 0 . 1 . . . . A 127 ASP C . 36323 1 1165 . 1 . 1 114 114 ASP CA C 13 50.308 0.04 . 1 . . . . A 127 ASP CA . 36323 1 1166 . 1 . 1 114 114 ASP CB C 13 38.895 0 . 1 . . . . A 127 ASP CB . 36323 1 1167 . 1 . 1 114 114 ASP N N 15 122.902 0.074 . 1 . . . . A 127 ASP N . 36323 1 1168 . 1 . 1 115 115 PRO HA H 1 4.36 0.016 . 1 . . . . A 128 PRO HA . 36323 1 1169 . 1 . 1 115 115 PRO HB2 H 1 2.16 0.012 . . . . . . A 128 PRO HB2 . 36323 1 1170 . 1 . 1 115 115 PRO HB3 H 1 1.9 0.008 . . . . . . A 128 PRO HB3 . 36323 1 1171 . 1 . 1 115 115 PRO HD2 H 1 3.69 0.005 . . . . . . A 128 PRO HD2 . 36323 1 1172 . 1 . 1 115 115 PRO HD3 H 1 3.599 0.008 . . . . . . A 128 PRO HD3 . 36323 1 1173 . 1 . 1 115 115 PRO C C 13 173.653 0.011 . 1 . . . . A 128 PRO C . 36323 1 1174 . 1 . 1 115 115 PRO CA C 13 61.142 0.044 . 1 . . . . A 128 PRO CA . 36323 1 1175 . 1 . 1 115 115 PRO CB C 13 29.874 0.064 . 1 . . . . A 128 PRO CB . 36323 1 1176 . 1 . 1 115 115 PRO CG C 13 25.081 0.033 . 1 . . . . A 128 PRO CG . 36323 1 1177 . 1 . 1 115 115 PRO CD C 13 48.495 0.02 . 1 . . . . A 128 PRO CD . 36323 1 1178 . 1 . 1 116 116 ALA H H 1 8.09 0.006 . 1 . . . . A 129 ALA H . 36323 1 1179 . 1 . 1 116 116 ALA HA H 1 4.477 0.001 . 1 . . . . A 129 ALA HA . 36323 1 1180 . 1 . 1 116 116 ALA HB1 H 1 1.252 0.005 . 1 . . . . A 129 ALA HB1 . 36323 1 1181 . 1 . 1 116 116 ALA HB2 H 1 1.252 0.005 . 1 . . . . A 129 ALA HB2 . 36323 1 1182 . 1 . 1 116 116 ALA HB3 H 1 1.252 0.005 . 1 . . . . A 129 ALA HB3 . 36323 1 1183 . 1 . 1 116 116 ALA C C 13 172.496 0 . 1 . . . . A 129 ALA C . 36323 1 1184 . 1 . 1 116 116 ALA CA C 13 48.347 0.072 . 1 . . . . A 129 ALA CA . 36323 1 1185 . 1 . 1 116 116 ALA CB C 13 16.007 0.058 . 1 . . . . A 129 ALA CB . 36323 1 1186 . 1 . 1 116 116 ALA N N 15 124.915 0.028 . 1 . . . . A 129 ALA N . 36323 1 1187 . 1 . 1 117 117 PRO HA H 1 4.292 0.004 . 1 . . . . A 130 PRO HA . 36323 1 1188 . 1 . 1 117 117 PRO HB2 H 1 2.016 0 . . . . . . A 130 PRO HB2 . 36323 1 1189 . 1 . 1 117 117 PRO HB3 H 1 1.774 0 . . . . . . A 130 PRO HB3 . 36323 1 1190 . 1 . 1 117 117 PRO HD2 H 1 3.692 0 . . . . . . A 130 PRO HD2 . 36323 1 1191 . 1 . 1 117 117 PRO CA C 13 60.876 0.005 . 1 . . . . A 130 PRO CA . 36323 1 1192 . 1 . 1 117 117 PRO CB C 13 29.713 0 . 1 . . . . A 130 PRO CB . 36323 1 1193 . 1 . 1 118 118 ARG H H 1 8.333 0.003 . 1 . . . . A 131 ARG H . 36323 1 1194 . 1 . 1 118 118 ARG HA H 1 4.232 0.002 . 1 . . . . A 131 ARG HA . 36323 1 1195 . 1 . 1 118 118 ARG HB2 H 1 1.595 0.014 . . . . . . A 131 ARG HB2 . 36323 1 1196 . 1 . 1 118 118 ARG C C 13 173.745 0.011 . 1 . . . . A 131 ARG C . 36323 1 1197 . 1 . 1 118 118 ARG CA C 13 53.568 0.042 . 1 . . . . A 131 ARG CA . 36323 1 1198 . 1 . 1 118 118 ARG CB C 13 28.943 0.097 . 1 . . . . A 131 ARG CB . 36323 1 1199 . 1 . 1 118 118 ARG N N 15 121.591 0.04 . 1 . . . . A 131 ARG N . 36323 1 1200 . 1 . 1 119 119 GLY H H 1 8.106 0.006 . 1 . . . . A 132 GLY H . 36323 1 1201 . 1 . 1 119 119 GLY HA2 H 1 4.68 0.006 . . . . . . A 132 GLY HA2 . 36323 1 1202 . 1 . 1 119 119 GLY HA3 H 1 3.899 0 . . . . . . A 132 GLY HA3 . 36323 1 1203 . 1 . 1 119 119 GLY C C 13 179.496 0 . 1 . . . . A 132 GLY C . 36323 1 1204 . 1 . 1 119 119 GLY CA C 13 41.977 0.046 . 1 . . . . A 132 GLY CA . 36323 1 1205 . 1 . 1 119 119 GLY N N 15 109.145 0.045 . 1 . . . . A 132 GLY N . 36323 1 1206 . 1 . 1 120 120 PRO HA H 1 4.239 0.004 . 1 . . . . A 133 PRO HA . 36323 1 1207 . 1 . 1 120 120 PRO HB2 H 1 2.284 0.014 . . . . . . A 133 PRO HB2 . 36323 1 1208 . 1 . 1 120 120 PRO HB3 H 1 2.045 0.004 . . . . . . A 133 PRO HB3 . 36323 1 1209 . 1 . 1 120 120 PRO C C 13 173.843 0 . 1 . . . . A 133 PRO C . 36323 1 1210 . 1 . 1 120 120 PRO CA C 13 60.653 0.016 . 1 . . . . A 133 PRO CA . 36323 1 1211 . 1 . 1 121 121 ALA H H 1 8.103 0.005 . 1 . . . . A 134 ALA H . 36323 1 1212 . 1 . 1 121 121 ALA HA H 1 4.228 0.01 . 1 . . . . A 134 ALA HA . 36323 1 1213 . 1 . 1 121 121 ALA HB1 H 1 1.029 0.006 . 1 . . . . A 134 ALA HB1 . 36323 1 1214 . 1 . 1 121 121 ALA HB2 H 1 1.029 0.006 . 1 . . . . A 134 ALA HB2 . 36323 1 1215 . 1 . 1 121 121 ALA HB3 H 1 1.029 0.006 . 1 . . . . A 134 ALA HB3 . 36323 1 1216 . 1 . 1 121 121 ALA C C 13 173.062 0.013 . 1 . . . . A 134 ALA C . 36323 1 1217 . 1 . 1 121 121 ALA CA C 13 49.595 0.054 . 1 . . . . A 134 ALA CA . 36323 1 1218 . 1 . 1 121 121 ALA CB C 13 16.96 0.085 . 1 . . . . A 134 ALA CB . 36323 1 1219 . 1 . 1 121 121 ALA N N 15 124.146 0.042 . 1 . . . . A 134 ALA N . 36323 1 1220 . 1 . 1 122 122 ARG H H 1 8.245 0.005 . 1 . . . . A 135 ARG H . 36323 1 1221 . 1 . 1 122 122 ARG HA H 1 4.639 0.032 . 1 . . . . A 135 ARG HA . 36323 1 1222 . 1 . 1 122 122 ARG HB2 H 1 1.349 0.023 . . . . . . A 135 ARG HB2 . 36323 1 1223 . 1 . 1 122 122 ARG C C 13 173.571 0 . 1 . . . . A 135 ARG C . 36323 1 1224 . 1 . 1 122 122 ARG CA C 13 52.902 0.058 . 1 . . . . A 135 ARG CA . 36323 1 1225 . 1 . 1 122 122 ARG CB C 13 28.655 0.067 . 1 . . . . A 135 ARG CB . 36323 1 1226 . 1 . 1 122 122 ARG N N 15 120.35 0.035 . 1 . . . . A 135 ARG N . 36323 1 1227 . 1 . 1 123 123 PHE H H 1 9.695 0.017 . 1 . . . . A 136 PHE H . 36323 1 1228 . 1 . 1 123 123 PHE HA H 1 5.477 0.014 . 1 . . . . A 136 PHE HA . 36323 1 1229 . 1 . 1 123 123 PHE HB2 H 1 2.922 0.033 . . . . . . A 136 PHE HB2 . 36323 1 1230 . 1 . 1 123 123 PHE HB3 H 1 2.828 0.019 . . . . . . A 136 PHE HB3 . 36323 1 1231 . 1 . 1 123 123 PHE HD1 H 1 7.114 0.03 . . . . . . A 136 PHE HD1 . 36323 1 1232 . 1 . 1 123 123 PHE HE1 H 1 6.829 0.011 . . . . . . A 136 PHE HE1 . 36323 1 1233 . 1 . 1 123 123 PHE HE2 H 1 6.707 0.027 . . . . . . A 136 PHE HE2 . 36323 1 1234 . 1 . 1 123 123 PHE HZ H 1 7.114 0.03 . 1 . . . . A 136 PHE HZ . 36323 1 1235 . 1 . 1 123 123 PHE C C 13 172.007 0.027 . 1 . . . . A 136 PHE C . 36323 1 1236 . 1 . 1 123 123 PHE CA C 13 55.101 0.055 . 1 . . . . A 136 PHE CA . 36323 1 1237 . 1 . 1 123 123 PHE CB C 13 41.974 0.076 . 1 . . . . A 136 PHE CB . 36323 1 1238 . 1 . 1 123 123 PHE N N 15 122.822 0.051 . 1 . . . . A 136 PHE N . 36323 1 1239 . 1 . 1 124 124 LEU H H 1 10.123 0.006 . 1 . . . . A 137 LEU H . 36323 1 1240 . 1 . 1 124 124 LEU HA H 1 4.961 0.008 . 1 . . . . A 137 LEU HA . 36323 1 1241 . 1 . 1 124 124 LEU HB2 H 1 1.73 0.01 . . . . . . A 137 LEU HB2 . 36323 1 1242 . 1 . 1 124 124 LEU HB3 H 1 1.315 0.011 . . . . . . A 137 LEU HB3 . 36323 1 1243 . 1 . 1 124 124 LEU HG H 1 1.312 0 . 1 . . . . A 137 LEU HG . 36323 1 1244 . 1 . 1 124 124 LEU HD11 H 1 0.498 0.006 . . . . . . A 137 LEU HD11 . 36323 1 1245 . 1 . 1 124 124 LEU HD12 H 1 0.498 0.006 . . . . . . A 137 LEU HD12 . 36323 1 1246 . 1 . 1 124 124 LEU HD13 H 1 0.498 0.006 . . . . . . A 137 LEU HD13 . 36323 1 1247 . 1 . 1 124 124 LEU HD21 H 1 0.547 0.007 . . . . . . A 137 LEU HD21 . 36323 1 1248 . 1 . 1 124 124 LEU HD22 H 1 0.547 0.007 . . . . . . A 137 LEU HD22 . 36323 1 1249 . 1 . 1 124 124 LEU HD23 H 1 0.547 0.007 . . . . . . A 137 LEU HD23 . 36323 1 1250 . 1 . 1 124 124 LEU C C 13 172.163 0.029 . 1 . . . . A 137 LEU C . 36323 1 1251 . 1 . 1 124 124 LEU CA C 13 48.946 0.082 . 1 . . . . A 137 LEU CA . 36323 1 1252 . 1 . 1 124 124 LEU CB C 13 42.424 0.099 . 1 . . . . A 137 LEU CB . 36323 1 1253 . 1 . 1 124 124 LEU CG C 13 24.385 0.066 . 1 . . . . A 137 LEU CG . 36323 1 1254 . 1 . 1 124 124 LEU CD1 C 13 22.75 0.075 . . . . . . A 137 LEU CD1 . 36323 1 1255 . 1 . 1 124 124 LEU CD2 C 13 21.806 0.021 . . . . . . A 137 LEU CD2 . 36323 1 1256 . 1 . 1 124 124 LEU N N 15 125.486 0.059 . 1 . . . . A 137 LEU N . 36323 1 1257 . 1 . 1 125 125 PRO HA H 1 5.267 0.008 . 1 . . . . A 138 PRO HA . 36323 1 1258 . 1 . 1 125 125 PRO HB2 H 1 1.841 0.008 . . . . . . A 138 PRO HB2 . 36323 1 1259 . 1 . 1 125 125 PRO HG2 H 1 1.574 0 . . . . . . A 138 PRO HG2 . 36323 1 1260 . 1 . 1 125 125 PRO HD2 H 1 4.117 0 . . . . . . A 138 PRO HD2 . 36323 1 1261 . 1 . 1 125 125 PRO HD3 H 1 3.734 0 . . . . . . A 138 PRO HD3 . 36323 1 1262 . 1 . 1 125 125 PRO C C 13 173.749 0.002 . 1 . . . . A 138 PRO C . 36323 1 1263 . 1 . 1 125 125 PRO CA C 13 58.834 0.108 . 1 . . . . A 138 PRO CA . 36323 1 1264 . 1 . 1 125 125 PRO CB C 13 28.666 0.1 . 1 . . . . A 138 PRO CB . 36323 1 1265 . 1 . 1 125 125 PRO CG C 13 25.957 0 . 1 . . . . A 138 PRO CG . 36323 1 1266 . 1 . 1 126 126 LEU H H 1 9.71 0.013 . 1 . . . . A 139 LEU H . 36323 1 1267 . 1 . 1 126 126 LEU HA H 1 4.912 0.009 . 1 . . . . A 139 LEU HA . 36323 1 1268 . 1 . 1 126 126 LEU HB2 H 1 1.888 0.022 . . . . . . A 139 LEU HB2 . 36323 1 1269 . 1 . 1 126 126 LEU HB3 H 1 1.638 0 . . . . . . A 139 LEU HB3 . 36323 1 1270 . 1 . 1 126 126 LEU HD11 H 1 0.794 0.014 . . . . . . A 139 LEU HD11 . 36323 1 1271 . 1 . 1 126 126 LEU HD12 H 1 0.794 0.014 . . . . . . A 139 LEU HD12 . 36323 1 1272 . 1 . 1 126 126 LEU HD13 H 1 0.794 0.014 . . . . . . A 139 LEU HD13 . 36323 1 1273 . 1 . 1 126 126 LEU HD21 H 1 0.727 0.006 . . . . . . A 139 LEU HD21 . 36323 1 1274 . 1 . 1 126 126 LEU HD22 H 1 0.727 0.006 . . . . . . A 139 LEU HD22 . 36323 1 1275 . 1 . 1 126 126 LEU HD23 H 1 0.727 0.006 . . . . . . A 139 LEU HD23 . 36323 1 1276 . 1 . 1 126 126 LEU C C 13 172.289 0 . 1 . . . . A 139 LEU C . 36323 1 1277 . 1 . 1 126 126 LEU CA C 13 49.622 0.106 . 1 . . . . A 139 LEU CA . 36323 1 1278 . 1 . 1 126 126 LEU CB C 13 40.422 0.104 . 1 . . . . A 139 LEU CB . 36323 1 1279 . 1 . 1 126 126 LEU CG C 13 23.806 0 . 1 . . . . A 139 LEU CG . 36323 1 1280 . 1 . 1 126 126 LEU CD1 C 13 24.341 0.083 . . . . . . A 139 LEU CD1 . 36323 1 1281 . 1 . 1 126 126 LEU CD2 C 13 20.432 0.118 . . . . . . A 139 LEU CD2 . 36323 1 1282 . 1 . 1 126 126 LEU N N 15 129.657 0.051 . 1 . . . . A 139 LEU N . 36323 1 1283 . 1 . 1 127 127 PRO HA H 1 4.333 0.011 . 1 . . . . A 140 PRO HA . 36323 1 1284 . 1 . 1 127 127 PRO HB2 H 1 2.332 0.004 . . . . . . A 140 PRO HB2 . 36323 1 1285 . 1 . 1 127 127 PRO HB3 H 1 1.991 0.013 . . . . . . A 140 PRO HB3 . 36323 1 1286 . 1 . 1 127 127 PRO HG2 H 1 1.946 0.003 . . . . . . A 140 PRO HG2 . 36323 1 1287 . 1 . 1 127 127 PRO HD2 H 1 3.75 0.002 . . . . . . A 140 PRO HD2 . 36323 1 1288 . 1 . 1 127 127 PRO HD3 H 1 2.505 0.007 . . . . . . A 140 PRO HD3 . 36323 1 1289 . 1 . 1 127 127 PRO C C 13 172.654 0.003 . 1 . . . . A 140 PRO C . 36323 1 1290 . 1 . 1 127 127 PRO CA C 13 62.273 0.086 . 1 . . . . A 140 PRO CA . 36323 1 1291 . 1 . 1 127 127 PRO CB C 13 30.103 0.074 . 1 . . . . A 140 PRO CB . 36323 1 1292 . 1 . 1 127 127 PRO CG C 13 25.143 0.023 . 1 . . . . A 140 PRO CG . 36323 1 1293 . 1 . 1 127 127 PRO CD C 13 48.463 0 . 1 . . . . A 140 PRO CD . 36323 1 1294 . 1 . 1 128 128 GLY H H 1 7.425 0.014 . 1 . . . . A 141 GLY H . 36323 1 1295 . 1 . 1 128 128 GLY HA2 H 1 4.262 0.014 . . . . . . A 141 GLY HA2 . 36323 1 1296 . 1 . 1 128 128 GLY HA3 H 1 3.021 0.014 . . . . . . A 141 GLY HA3 . 36323 1 1297 . 1 . 1 128 128 GLY C C 13 175.34 0 . 1 . . . . A 141 GLY C . 36323 1 1298 . 1 . 1 128 128 GLY CA C 13 44.016 0.094 . 1 . . . . A 141 GLY CA . 36323 1 1299 . 1 . 1 128 128 GLY N N 15 116.083 0.028 . 1 . . . . A 141 GLY N . 36323 1 stop_ save_