data_50540 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50540 _Entry.Title ; Backbone Assignments for the Human Interleukin-17AF Heterodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-29 _Entry.Accession_date 2020-10-29 _Entry.Last_release_date 2020-10-29 _Entry.Original_release_date 2020-10-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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_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 Lorna Waters . C. . . 50540 2 Sarah Strong . L. . . 50540 3 Frederick Muskett . W. . . 50540 4 Christine Prosser . E. . . 50540 5 Richard Taylor . J. . . 50540 6 Alistair Henry . J. . . 50540 7 Mark Carr . D. . . 50540 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Molecular and Cell Biology/Leicester Institute of Structural and Chemical Biology, University of Leicester' . 50540 2 . 'UCB Pharma' . 50540 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50540 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 729 50540 '15N chemical shifts' 235 50540 '1H chemical shifts' 235 50540 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 . . 2021-04-19 . original BMRB . 50540 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50537 'Human Interleukin-17A Homodimer' 50540 BMRB 50538 'Human Interleukin-17F Homodimer' 50540 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50540 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33706174 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational dynamics in interleukin 17A and 17F functional complexes is a key determinant of receptor A affinity and specificity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cytokine _Citation.Journal_name_full . _Citation.Journal_volume 142 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 155476 _Citation.Page_last 155476 _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 Lorna Waters L. C. . . 50540 1 2 Vaclav Veverka V. . . . 50540 1 3 Sarah Strong S. L. . . 50540 1 4 Frederick Muskett F. W. . . 50540 1 5 Neesha Dedi N. . . . 50540 1 6 Alastair Lawson . . . . 50540 1 7 Christine Prosser C. E. . . 50540 1 8 Richard Taylor R. J. . . 50540 1 9 Alistair Henry A. J. . . 50540 1 10 Mark Carr M. D. . . 50540 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'IL-17, conformational dynamics, receptor affinity, structural changes, IL-17 receptor' 50540 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50540 _Assembly.ID 1 _Assembly.Name 'IL-17AF Heterodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 32364 _Assembly.Enzyme_commission_number . _Assembly.Details 'Heterodimer linked by intermolecular disulphides' _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 'IL-17A - protomer' 1 $entity_1 . . yes native no no . . . 50540 1 2 'IL-17F - protomer' 2 $entity_2 . . yes native no no . . . 50540 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 single . 1 . 1 CYS 31 31 SG . 2 . 2 CYS 107 107 SG . . . 33 CYS SG . . . 137 CYS SG 50540 1 2 disulfide single . 1 . 1 CYS 127 127 SG . 2 . 2 CYS 17 17 SG . . . 129 CYS SG . . . 47 CYS SG 50540 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Disulphide linked stable complex' 50540 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Proinflammatory cytokine' 50540 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50540 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGENLYFQG SGITIPRNPGCPNSEDKNFP RTVMVNLNIHNRNTNTNPKR SSDYYNRSTSPWNLHRNEDP ERYPSVIWEAKCRHLGCINA DGNVDYHMNSVPIQQEILVL RREPPHCPNSFRLEKILVSV GCTCVTPIVHHVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Mature sequence of human IL-17A with N-terminal His-tag and linker' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Uniprot Q16552 . IL-17A . . . . . . . . . . . . . . 50540 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proinflammatory cytokine' 50540 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 3 MET . 50540 1 2 4 GLY . 50540 1 3 5 SER . 50540 1 4 6 SER . 50540 1 5 7 HIS . 50540 1 6 8 HIS . 50540 1 7 9 HIS . 50540 1 8 10 HIS . 50540 1 9 11 HIS . 50540 1 10 12 HIS . 50540 1 11 13 SER . 50540 1 12 14 SER . 50540 1 13 15 GLY . 50540 1 14 16 GLU . 50540 1 15 17 ASN . 50540 1 16 18 LEU . 50540 1 17 19 TYR . 50540 1 18 20 PHE . 50540 1 19 21 GLN . 50540 1 20 22 GLY . 50540 1 21 23 SER . 50540 1 22 24 GLY . 50540 1 23 25 ILE . 50540 1 24 26 THR . 50540 1 25 27 ILE . 50540 1 26 28 PRO . 50540 1 27 29 ARG . 50540 1 28 30 ASN . 50540 1 29 31 PRO . 50540 1 30 32 GLY . 50540 1 31 33 CYS . 50540 1 32 34 PRO . 50540 1 33 35 ASN . 50540 1 34 36 SER . 50540 1 35 37 GLU . 50540 1 36 38 ASP . 50540 1 37 39 LYS . 50540 1 38 40 ASN . 50540 1 39 41 PHE . 50540 1 40 42 PRO . 50540 1 41 43 ARG . 50540 1 42 44 THR . 50540 1 43 45 VAL . 50540 1 44 46 MET . 50540 1 45 47 VAL . 50540 1 46 48 ASN . 50540 1 47 49 LEU . 50540 1 48 50 ASN . 50540 1 49 51 ILE . 50540 1 50 52 HIS . 50540 1 51 53 ASN . 50540 1 52 54 ARG . 50540 1 53 55 ASN . 50540 1 54 56 THR . 50540 1 55 57 ASN . 50540 1 56 58 THR . 50540 1 57 59 ASN . 50540 1 58 60 PRO . 50540 1 59 61 LYS . 50540 1 60 62 ARG . 50540 1 61 63 SER . 50540 1 62 64 SER . 50540 1 63 65 ASP . 50540 1 64 66 TYR . 50540 1 65 67 TYR . 50540 1 66 68 ASN . 50540 1 67 69 ARG . 50540 1 68 70 SER . 50540 1 69 71 THR . 50540 1 70 72 SER . 50540 1 71 73 PRO . 50540 1 72 74 TRP . 50540 1 73 75 ASN . 50540 1 74 76 LEU . 50540 1 75 77 HIS . 50540 1 76 78 ARG . 50540 1 77 79 ASN . 50540 1 78 80 GLU . 50540 1 79 81 ASP . 50540 1 80 82 PRO . 50540 1 81 83 GLU . 50540 1 82 84 ARG . 50540 1 83 85 TYR . 50540 1 84 86 PRO . 50540 1 85 87 SER . 50540 1 86 88 VAL . 50540 1 87 89 ILE . 50540 1 88 90 TRP . 50540 1 89 91 GLU . 50540 1 90 92 ALA . 50540 1 91 93 LYS . 50540 1 92 94 CYS . 50540 1 93 95 ARG . 50540 1 94 96 HIS . 50540 1 95 97 LEU . 50540 1 96 98 GLY . 50540 1 97 99 CYS . 50540 1 98 100 ILE . 50540 1 99 101 ASN . 50540 1 100 102 ALA . 50540 1 101 103 ASP . 50540 1 102 104 GLY . 50540 1 103 105 ASN . 50540 1 104 106 VAL . 50540 1 105 107 ASP . 50540 1 106 108 TYR . 50540 1 107 109 HIS . 50540 1 108 110 MET . 50540 1 109 111 ASN . 50540 1 110 112 SER . 50540 1 111 113 VAL . 50540 1 112 114 PRO . 50540 1 113 115 ILE . 50540 1 114 116 GLN . 50540 1 115 117 GLN . 50540 1 116 118 GLU . 50540 1 117 119 ILE . 50540 1 118 120 LEU . 50540 1 119 121 VAL . 50540 1 120 122 LEU . 50540 1 121 123 ARG . 50540 1 122 124 ARG . 50540 1 123 125 GLU . 50540 1 124 126 PRO . 50540 1 125 127 PRO . 50540 1 126 128 HIS . 50540 1 127 129 CYS . 50540 1 128 130 PRO . 50540 1 129 131 ASN . 50540 1 130 132 SER . 50540 1 131 133 PHE . 50540 1 132 134 ARG . 50540 1 133 135 LEU . 50540 1 134 136 GLU . 50540 1 135 137 LYS . 50540 1 136 138 ILE . 50540 1 137 139 LEU . 50540 1 138 140 VAL . 50540 1 139 141 SER . 50540 1 140 142 VAL . 50540 1 141 143 GLY . 50540 1 142 144 CYS . 50540 1 143 145 THR . 50540 1 144 146 CYS . 50540 1 145 147 VAL . 50540 1 146 148 THR . 50540 1 147 149 PRO . 50540 1 148 150 ILE . 50540 1 149 151 VAL . 50540 1 150 152 HIS . 50540 1 151 153 HIS . 50540 1 152 154 VAL . 50540 1 153 155 ALA . 50540 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 . MET 1 1 50540 1 . GLY 2 2 50540 1 . SER 3 3 50540 1 . SER 4 4 50540 1 . HIS 5 5 50540 1 . HIS 6 6 50540 1 . HIS 7 7 50540 1 . HIS 8 8 50540 1 . HIS 9 9 50540 1 . HIS 10 10 50540 1 . SER 11 11 50540 1 . SER 12 12 50540 1 . GLY 13 13 50540 1 . GLU 14 14 50540 1 . ASN 15 15 50540 1 . LEU 16 16 50540 1 . TYR 17 17 50540 1 . PHE 18 18 50540 1 . GLN 19 19 50540 1 . GLY 20 20 50540 1 . SER 21 21 50540 1 . GLY 22 22 50540 1 . ILE 23 23 50540 1 . THR 24 24 50540 1 . ILE 25 25 50540 1 . PRO 26 26 50540 1 . ARG 27 27 50540 1 . ASN 28 28 50540 1 . PRO 29 29 50540 1 . GLY 30 30 50540 1 . CYS 31 31 50540 1 . PRO 32 32 50540 1 . ASN 33 33 50540 1 . SER 34 34 50540 1 . GLU 35 35 50540 1 . ASP 36 36 50540 1 . LYS 37 37 50540 1 . ASN 38 38 50540 1 . PHE 39 39 50540 1 . PRO 40 40 50540 1 . ARG 41 41 50540 1 . THR 42 42 50540 1 . VAL 43 43 50540 1 . MET 44 44 50540 1 . VAL 45 45 50540 1 . ASN 46 46 50540 1 . LEU 47 47 50540 1 . ASN 48 48 50540 1 . ILE 49 49 50540 1 . HIS 50 50 50540 1 . ASN 51 51 50540 1 . ARG 52 52 50540 1 . ASN 53 53 50540 1 . THR 54 54 50540 1 . ASN 55 55 50540 1 . THR 56 56 50540 1 . ASN 57 57 50540 1 . PRO 58 58 50540 1 . LYS 59 59 50540 1 . ARG 60 60 50540 1 . SER 61 61 50540 1 . SER 62 62 50540 1 . ASP 63 63 50540 1 . TYR 64 64 50540 1 . TYR 65 65 50540 1 . ASN 66 66 50540 1 . ARG 67 67 50540 1 . SER 68 68 50540 1 . THR 69 69 50540 1 . SER 70 70 50540 1 . PRO 71 71 50540 1 . TRP 72 72 50540 1 . ASN 73 73 50540 1 . LEU 74 74 50540 1 . HIS 75 75 50540 1 . ARG 76 76 50540 1 . ASN 77 77 50540 1 . GLU 78 78 50540 1 . ASP 79 79 50540 1 . PRO 80 80 50540 1 . GLU 81 81 50540 1 . ARG 82 82 50540 1 . TYR 83 83 50540 1 . PRO 84 84 50540 1 . SER 85 85 50540 1 . VAL 86 86 50540 1 . ILE 87 87 50540 1 . TRP 88 88 50540 1 . GLU 89 89 50540 1 . ALA 90 90 50540 1 . LYS 91 91 50540 1 . CYS 92 92 50540 1 . ARG 93 93 50540 1 . HIS 94 94 50540 1 . LEU 95 95 50540 1 . GLY 96 96 50540 1 . CYS 97 97 50540 1 . ILE 98 98 50540 1 . ASN 99 99 50540 1 . ALA 100 100 50540 1 . ASP 101 101 50540 1 . GLY 102 102 50540 1 . ASN 103 103 50540 1 . VAL 104 104 50540 1 . ASP 105 105 50540 1 . TYR 106 106 50540 1 . HIS 107 107 50540 1 . MET 108 108 50540 1 . ASN 109 109 50540 1 . SER 110 110 50540 1 . VAL 111 111 50540 1 . PRO 112 112 50540 1 . ILE 113 113 50540 1 . GLN 114 114 50540 1 . GLN 115 115 50540 1 . GLU 116 116 50540 1 . ILE 117 117 50540 1 . LEU 118 118 50540 1 . VAL 119 119 50540 1 . LEU 120 120 50540 1 . ARG 121 121 50540 1 . ARG 122 122 50540 1 . GLU 123 123 50540 1 . PRO 124 124 50540 1 . PRO 125 125 50540 1 . HIS 126 126 50540 1 . CYS 127 127 50540 1 . PRO 128 128 50540 1 . ASN 129 129 50540 1 . SER 130 130 50540 1 . PHE 131 131 50540 1 . ARG 132 132 50540 1 . LEU 133 133 50540 1 . GLU 134 134 50540 1 . LYS 135 135 50540 1 . ILE 136 136 50540 1 . LEU 137 137 50540 1 . VAL 138 138 50540 1 . SER 139 139 50540 1 . VAL 140 140 50540 1 . GLY 141 141 50540 1 . CYS 142 142 50540 1 . THR 143 143 50540 1 . CYS 144 144 50540 1 . VAL 145 145 50540 1 . THR 146 146 50540 1 . PRO 147 147 50540 1 . ILE 148 148 50540 1 . VAL 149 149 50540 1 . HIS 150 150 50540 1 . HIS 151 151 50540 1 . VAL 152 152 50540 1 . ALA 153 153 50540 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50540 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RKIPKVGHTFFQKPESCPPV PGGSMKLDIGIINENQRVSM SRNIESRSTSPWNYTVTWDP NRYPSEVVQAQCRNLGCINA QGKEDISMNSVPIQQETLVV RRKHQGCSVSFQLEKVLVTV GCTCVTPVIHHVQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Mature sequence of human IL-17F' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Uniprot Q96PD4 . IL-17F . . . . . . . . . . . . . . 50540 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proinflammatory cytokine' 50540 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 31 ARG . 50540 2 2 32 LYS . 50540 2 3 33 ILE . 50540 2 4 34 PRO . 50540 2 5 35 LYS . 50540 2 6 36 VAL . 50540 2 7 37 GLY . 50540 2 8 38 HIS . 50540 2 9 39 THR . 50540 2 10 40 PHE . 50540 2 11 41 PHE . 50540 2 12 42 GLN . 50540 2 13 43 LYS . 50540 2 14 44 PRO . 50540 2 15 45 GLU . 50540 2 16 46 SER . 50540 2 17 47 CYS . 50540 2 18 48 PRO . 50540 2 19 49 PRO . 50540 2 20 50 VAL . 50540 2 21 51 PRO . 50540 2 22 52 GLY . 50540 2 23 53 GLY . 50540 2 24 54 SER . 50540 2 25 55 MET . 50540 2 26 56 LYS . 50540 2 27 57 LEU . 50540 2 28 58 ASP . 50540 2 29 59 ILE . 50540 2 30 60 GLY . 50540 2 31 61 ILE . 50540 2 32 62 ILE . 50540 2 33 63 ASN . 50540 2 34 64 GLU . 50540 2 35 65 ASN . 50540 2 36 66 GLN . 50540 2 37 67 ARG . 50540 2 38 68 VAL . 50540 2 39 69 SER . 50540 2 40 70 MET . 50540 2 41 71 SER . 50540 2 42 72 ARG . 50540 2 43 73 ASN . 50540 2 44 74 ILE . 50540 2 45 75 GLU . 50540 2 46 76 SER . 50540 2 47 77 ARG . 50540 2 48 78 SER . 50540 2 49 79 THR . 50540 2 50 80 SER . 50540 2 51 81 PRO . 50540 2 52 82 TRP . 50540 2 53 83 ASN . 50540 2 54 84 TYR . 50540 2 55 85 THR . 50540 2 56 86 VAL . 50540 2 57 87 THR . 50540 2 58 88 TRP . 50540 2 59 89 ASP . 50540 2 60 90 PRO . 50540 2 61 91 ASN . 50540 2 62 92 ARG . 50540 2 63 93 TYR . 50540 2 64 94 PRO . 50540 2 65 95 SER . 50540 2 66 96 GLU . 50540 2 67 97 VAL . 50540 2 68 98 VAL . 50540 2 69 99 GLN . 50540 2 70 100 ALA . 50540 2 71 101 GLN . 50540 2 72 102 CYS . 50540 2 73 103 ARG . 50540 2 74 104 ASN . 50540 2 75 105 LEU . 50540 2 76 106 GLY . 50540 2 77 107 CYS . 50540 2 78 108 ILE . 50540 2 79 109 ASN . 50540 2 80 110 ALA . 50540 2 81 111 GLN . 50540 2 82 112 GLY . 50540 2 83 113 LYS . 50540 2 84 114 GLU . 50540 2 85 115 ASP . 50540 2 86 116 ILE . 50540 2 87 117 SER . 50540 2 88 118 MET . 50540 2 89 119 ASN . 50540 2 90 120 SER . 50540 2 91 121 VAL . 50540 2 92 122 PRO . 50540 2 93 123 ILE . 50540 2 94 124 GLN . 50540 2 95 125 GLN . 50540 2 96 126 GLU . 50540 2 97 127 THR . 50540 2 98 128 LEU . 50540 2 99 129 VAL . 50540 2 100 130 VAL . 50540 2 101 131 ARG . 50540 2 102 132 ARG . 50540 2 103 133 LYS . 50540 2 104 134 HIS . 50540 2 105 135 GLN . 50540 2 106 136 GLY . 50540 2 107 137 CYS . 50540 2 108 138 SER . 50540 2 109 139 VAL . 50540 2 110 140 SER . 50540 2 111 141 PHE . 50540 2 112 142 GLN . 50540 2 113 143 LEU . 50540 2 114 144 GLU . 50540 2 115 145 LYS . 50540 2 116 146 VAL . 50540 2 117 147 LEU . 50540 2 118 148 VAL . 50540 2 119 149 THR . 50540 2 120 150 VAL . 50540 2 121 151 GLY . 50540 2 122 152 CYS . 50540 2 123 153 THR . 50540 2 124 154 CYS . 50540 2 125 155 VAL . 50540 2 126 156 THR . 50540 2 127 157 PRO . 50540 2 128 158 VAL . 50540 2 129 159 ILE . 50540 2 130 160 HIS . 50540 2 131 161 HIS . 50540 2 132 162 VAL . 50540 2 133 163 GLN . 50540 2 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 . ARG 1 1 50540 2 . LYS 2 2 50540 2 . ILE 3 3 50540 2 . PRO 4 4 50540 2 . LYS 5 5 50540 2 . VAL 6 6 50540 2 . GLY 7 7 50540 2 . HIS 8 8 50540 2 . THR 9 9 50540 2 . PHE 10 10 50540 2 . PHE 11 11 50540 2 . GLN 12 12 50540 2 . LYS 13 13 50540 2 . PRO 14 14 50540 2 . GLU 15 15 50540 2 . SER 16 16 50540 2 . CYS 17 17 50540 2 . PRO 18 18 50540 2 . PRO 19 19 50540 2 . VAL 20 20 50540 2 . PRO 21 21 50540 2 . GLY 22 22 50540 2 . GLY 23 23 50540 2 . SER 24 24 50540 2 . MET 25 25 50540 2 . LYS 26 26 50540 2 . LEU 27 27 50540 2 . ASP 28 28 50540 2 . ILE 29 29 50540 2 . GLY 30 30 50540 2 . ILE 31 31 50540 2 . ILE 32 32 50540 2 . ASN 33 33 50540 2 . GLU 34 34 50540 2 . ASN 35 35 50540 2 . GLN 36 36 50540 2 . ARG 37 37 50540 2 . VAL 38 38 50540 2 . SER 39 39 50540 2 . MET 40 40 50540 2 . SER 41 41 50540 2 . ARG 42 42 50540 2 . ASN 43 43 50540 2 . ILE 44 44 50540 2 . GLU 45 45 50540 2 . SER 46 46 50540 2 . ARG 47 47 50540 2 . SER 48 48 50540 2 . THR 49 49 50540 2 . SER 50 50 50540 2 . PRO 51 51 50540 2 . TRP 52 52 50540 2 . ASN 53 53 50540 2 . TYR 54 54 50540 2 . THR 55 55 50540 2 . VAL 56 56 50540 2 . THR 57 57 50540 2 . TRP 58 58 50540 2 . ASP 59 59 50540 2 . PRO 60 60 50540 2 . ASN 61 61 50540 2 . ARG 62 62 50540 2 . TYR 63 63 50540 2 . PRO 64 64 50540 2 . SER 65 65 50540 2 . GLU 66 66 50540 2 . VAL 67 67 50540 2 . VAL 68 68 50540 2 . GLN 69 69 50540 2 . ALA 70 70 50540 2 . GLN 71 71 50540 2 . CYS 72 72 50540 2 . ARG 73 73 50540 2 . ASN 74 74 50540 2 . LEU 75 75 50540 2 . GLY 76 76 50540 2 . CYS 77 77 50540 2 . ILE 78 78 50540 2 . ASN 79 79 50540 2 . ALA 80 80 50540 2 . GLN 81 81 50540 2 . GLY 82 82 50540 2 . LYS 83 83 50540 2 . GLU 84 84 50540 2 . ASP 85 85 50540 2 . ILE 86 86 50540 2 . SER 87 87 50540 2 . MET 88 88 50540 2 . ASN 89 89 50540 2 . SER 90 90 50540 2 . VAL 91 91 50540 2 . PRO 92 92 50540 2 . ILE 93 93 50540 2 . GLN 94 94 50540 2 . GLN 95 95 50540 2 . GLU 96 96 50540 2 . THR 97 97 50540 2 . LEU 98 98 50540 2 . VAL 99 99 50540 2 . VAL 100 100 50540 2 . ARG 101 101 50540 2 . ARG 102 102 50540 2 . LYS 103 103 50540 2 . HIS 104 104 50540 2 . GLN 105 105 50540 2 . GLY 106 106 50540 2 . CYS 107 107 50540 2 . SER 108 108 50540 2 . VAL 109 109 50540 2 . SER 110 110 50540 2 . PHE 111 111 50540 2 . GLN 112 112 50540 2 . LEU 113 113 50540 2 . GLU 114 114 50540 2 . LYS 115 115 50540 2 . VAL 116 116 50540 2 . LEU 117 117 50540 2 . VAL 118 118 50540 2 . THR 119 119 50540 2 . VAL 120 120 50540 2 . GLY 121 121 50540 2 . CYS 122 122 50540 2 . THR 123 123 50540 2 . CYS 124 124 50540 2 . VAL 125 125 50540 2 . THR 126 126 50540 2 . PRO 127 127 50540 2 . VAL 128 128 50540 2 . ILE 129 129 50540 2 . HIS 130 130 50540 2 . HIS 131 131 50540 2 . VAL 132 132 50540 2 . GLN 133 133 50540 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50540 _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 . . . . . . . . . . . IL17A . 50540 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . IL17F . 50540 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50540 _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' . . . Escherichia coli BL21-DE3 PLysS . plasmid . . pET32 . . . 50540 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 PLysS . plasmid . . pET32 . . . 50540 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50540 _Sample.ID 1 _Sample.Name 'dCN IL17Af' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 260 uM 15N/13C/2H His-IL-17A in complex with unlabelled IL17F in 20mM sodium phosphate, 100mM sodium chloride, 0.02% sodium azide. pH 6.0. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 His-IL-17A '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 260 . . uM . . . . 50540 1 2 IL-17F 'natural abundance' . . 2 $entity_2 . . 260 . . uM . . . . 50540 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50540 _Sample.ID 2 _Sample.Name 'dCN IL17aF #1' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 110 uM unlabelled His-IL-17A in complex with 15N/13C/2H IL17F in 20mM sodium phosphate, 100mM sodium chloride, 0.02% sodium azide. pH 6.0. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 His-IL-17A 'natural abundance' . . 1 $entity_1 . . 110 . . uM . . . . 50540 2 2 IL-17F '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 110 . . uM . . . . 50540 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50540 _Sample.ID 3 _Sample.Name 'dCN IL17aF #2' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM unlabelled His-IL-17A in complex with 15N/13C/2H IL17F in 20mM sodium phosphate, 100mM sodium chloride, 0.02% sodium azide. pH 6.0. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 His-IL-17A 'natural abundance' . . 1 $entity_1 . . 400 . . uM . . . . 50540 3 2 IL-17F '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 400 . . uM . . . . 50540 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 50540 _Sample_condition_list.ID 1 _Sample_condition_list.Name Standard _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' 140 . mM 50540 1 pH 6 . pH 50540 1 pressure 1 . atm 50540 1 temperature 308 . K 50540 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50540 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Data acquisition and processing' . 50540 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50540 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Data processing and NUS reconstruction' . 50540 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50540 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50540 3 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 50540 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _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 50540 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50540 _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 TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50540 1 2 '3D TROSY- HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50540 1 3 '3D TROSY-HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50540 1 4 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50540 1 5 '3D 15N/1H NOESY-TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50540 1 6 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50540 1 7 '3D TROSY-HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50540 1 8 '3D TROSY-HNCACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50540 1 9 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50540 1 10 '3D 15N/1H NOESY-HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50540 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50540 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Ref Set 1' _Chem_shift_reference.Details ; No correction factor has been applied to correct for the deuterium effect on the carbon chemical shifts TROSY spectra were corrected to the HSQC chemical shifts ; 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 0.00 na indirect 0.251449530 . . . . . 50540 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . temperature . 50540 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50540 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 50540 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name IL-17Af _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 $chem_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 '2H isotope effect: backbone CA, CB.' _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 TROSY' . . . 50540 1 2 '3D TROSY- HNCACB' . . . 50540 1 3 '3D TROSY-HNCO' . . . 50540 1 4 '3D TROSY-HN(CO)CACB' . . . 50540 1 5 '3D 15N/1H NOESY-TROSY' . . . 50540 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50540 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 12 12 SER C C 13 175.131 0.00 . 1 . . . . . 14 SER C . 50540 1 2 . 1 . 1 12 12 SER CA C 13 58.456 0.02 . 1 . . . . . 14 SER CA . 50540 1 3 . 1 . 1 12 12 SER CB C 13 63.404 0.00 . 1 . . . . . 14 SER CB . 50540 1 4 . 1 . 1 13 13 GLY H H 1 8.368 0.00 . 1 . . . . . 15 GLY H . 50540 1 5 . 1 . 1 13 13 GLY C C 13 174.260 0.00 . 1 . . . . . 15 GLY C . 50540 1 6 . 1 . 1 13 13 GLY CA C 13 45.071 0.03 . 1 . . . . . 15 GLY CA . 50540 1 7 . 1 . 1 13 13 GLY N N 15 110.894 0.01 . 1 . . . . . 15 GLY N . 50540 1 8 . 1 . 1 14 14 GLU H H 1 8.175 0.00 . 1 . . . . . 16 GLU H . 50540 1 9 . 1 . 1 14 14 GLU C C 13 176.272 0.00 . 1 . . . . . 16 GLU C . 50540 1 10 . 1 . 1 14 14 GLU CA C 13 56.379 0.06 . 1 . . . . . 16 GLU CA . 50540 1 11 . 1 . 1 14 14 GLU CB C 13 29.616 0.02 . 1 . . . . . 16 GLU CB . 50540 1 12 . 1 . 1 14 14 GLU N N 15 120.702 0.02 . 1 . . . . . 16 GLU N . 50540 1 13 . 1 . 1 15 15 ASN H H 1 8.389 0.00 . 1 . . . . . 17 ASN H . 50540 1 14 . 1 . 1 15 15 ASN C C 13 175.002 0.00 . 1 . . . . . 17 ASN C . 50540 1 15 . 1 . 1 15 15 ASN CA C 13 53.091 0.03 . 1 . . . . . 17 ASN CA . 50540 1 16 . 1 . 1 15 15 ASN CB C 13 38.281 0.02 . 1 . . . . . 17 ASN CB . 50540 1 17 . 1 . 1 15 15 ASN N N 15 119.446 0.01 . 1 . . . . . 17 ASN N . 50540 1 18 . 1 . 1 16 16 LEU H H 1 8.010 0.00 . 1 . . . . . 18 LEU H . 50540 1 19 . 1 . 1 16 16 LEU C C 13 176.958 0.00 . 1 . . . . . 18 LEU C . 50540 1 20 . 1 . 1 16 16 LEU CA C 13 55.036 0.04 . 1 . . . . . 18 LEU CA . 50540 1 21 . 1 . 1 16 16 LEU CB C 13 41.373 0.02 . 1 . . . . . 18 LEU CB . 50540 1 22 . 1 . 1 16 16 LEU N N 15 122.313 0.02 . 1 . . . . . 18 LEU N . 50540 1 23 . 1 . 1 17 17 TYR H H 1 7.949 0.00 . 1 . . . . . 19 TYR H . 50540 1 24 . 1 . 1 17 17 TYR C C 13 175.521 0.00 . 1 . . . . . 19 TYR C . 50540 1 25 . 1 . 1 17 17 TYR CA C 13 57.325 0.06 . 1 . . . . . 19 TYR CA . 50540 1 26 . 1 . 1 17 17 TYR CB C 13 38.073 0.04 . 1 . . . . . 19 TYR CB . 50540 1 27 . 1 . 1 17 17 TYR N N 15 119.872 0.02 . 1 . . . . . 19 TYR N . 50540 1 28 . 1 . 1 18 18 PHE H H 1 7.954 0.00 . 1 . . . . . 20 PHE H . 50540 1 29 . 1 . 1 18 18 PHE C C 13 175.462 0.00 . 1 . . . . . 20 PHE C . 50540 1 30 . 1 . 1 18 18 PHE CA C 13 57.076 0.19 . 1 . . . . . 20 PHE CA . 50540 1 31 . 1 . 1 18 18 PHE CB C 13 38.991 0.02 . 1 . . . . . 20 PHE CB . 50540 1 32 . 1 . 1 18 18 PHE N N 15 121.536 0.02 . 1 . . . . . 20 PHE N . 50540 1 33 . 1 . 1 19 19 GLN H H 1 8.204 0.00 . 1 . . . . . 21 GLN H . 50540 1 34 . 1 . 1 19 19 GLN C C 13 176.151 0.00 . 1 . . . . . 21 GLN C . 50540 1 35 . 1 . 1 19 19 GLN CA C 13 55.562 0.09 . 1 . . . . . 21 GLN CA . 50540 1 36 . 1 . 1 19 19 GLN CB C 13 28.682 0.03 . 1 . . . . . 21 GLN CB . 50540 1 37 . 1 . 1 19 19 GLN N N 15 122.532 0.01 . 1 . . . . . 21 GLN N . 50540 1 38 . 1 . 1 20 20 GLY H H 1 7.925 0.00 . 1 . . . . . 22 GLY H . 50540 1 39 . 1 . 1 20 20 GLY C C 13 174.147 0.00 . 1 . . . . . 22 GLY C . 50540 1 40 . 1 . 1 20 20 GLY CA C 13 45.004 0.00 . 1 . . . . . 22 GLY CA . 50540 1 41 . 1 . 1 20 20 GLY N N 15 109.852 0.01 . 1 . . . . . 22 GLY N . 50540 1 42 . 1 . 1 21 21 SER H H 1 8.181 0.00 . 1 . . . . . 23 SER H . 50540 1 43 . 1 . 1 21 21 SER C C 13 175.132 0.00 . 1 . . . . . 23 SER C . 50540 1 44 . 1 . 1 21 21 SER CA C 13 58.342 0.03 . 1 . . . . . 23 SER CA . 50540 1 45 . 1 . 1 21 21 SER CB C 13 63.711 0.10 . 1 . . . . . 23 SER CB . 50540 1 46 . 1 . 1 21 21 SER N N 15 115.882 0.04 . 1 . . . . . 23 SER N . 50540 1 47 . 1 . 1 22 22 GLY H H 1 8.405 0.00 . 1 . . . . . 24 GLY H . 50540 1 48 . 1 . 1 22 22 GLY C C 13 173.968 0.00 . 1 . . . . . 24 GLY C . 50540 1 49 . 1 . 1 22 22 GLY CA C 13 45.033 0.01 . 1 . . . . . 24 GLY CA . 50540 1 50 . 1 . 1 22 22 GLY N N 15 111.047 0.02 . 1 . . . . . 24 GLY N . 50540 1 51 . 1 . 1 23 23 ILE H H 1 7.850 0.00 . 1 . . . . . 25 ILE H . 50540 1 52 . 1 . 1 23 23 ILE C C 13 176.323 0.00 . 1 . . . . . 25 ILE C . 50540 1 53 . 1 . 1 23 23 ILE CA C 13 60.631 0.06 . 1 . . . . . 25 ILE CA . 50540 1 54 . 1 . 1 23 23 ILE CB C 13 38.104 0.01 . 1 . . . . . 25 ILE CB . 50540 1 55 . 1 . 1 23 23 ILE N N 15 120.125 0.01 . 1 . . . . . 25 ILE N . 50540 1 56 . 1 . 1 24 24 THR H H 1 8.192 0.00 . 1 . . . . . 26 THR H . 50540 1 57 . 1 . 1 24 24 THR C C 13 174.028 0.00 . 1 . . . . . 26 THR C . 50540 1 58 . 1 . 1 24 24 THR CA C 13 61.385 0.01 . 1 . . . . . 26 THR CA . 50540 1 59 . 1 . 1 24 24 THR CB C 13 69.476 0.04 . 1 . . . . . 26 THR CB . 50540 1 60 . 1 . 1 24 24 THR N N 15 119.300 0.02 . 1 . . . . . 26 THR N . 50540 1 61 . 1 . 1 25 25 ILE H H 1 8.128 0.00 . 1 . . . . . 27 ILE H . 50540 1 62 . 1 . 1 25 25 ILE CA C 13 58.141 0.00 . 1 . . . . . 27 ILE CA . 50540 1 63 . 1 . 1 25 25 ILE CB C 13 37.900 0.00 . 1 . . . . . 27 ILE CB . 50540 1 64 . 1 . 1 25 25 ILE N N 15 125.669 0.02 . 1 . . . . . 27 ILE N . 50540 1 65 . 1 . 1 26 26 PRO C C 13 176.593 0.00 . 1 . . . . . 28 PRO C . 50540 1 66 . 1 . 1 26 26 PRO CA C 13 62.502 0.03 . 1 . . . . . 28 PRO CA . 50540 1 67 . 1 . 1 26 26 PRO CB C 13 31.348 0.03 . 1 . . . . . 28 PRO CB . 50540 1 68 . 1 . 1 27 27 ARG H H 1 8.269 0.00 . 1 . . . . . 29 ARG H . 50540 1 69 . 1 . 1 27 27 ARG C C 13 175.860 0.00 . 1 . . . . . 29 ARG C . 50540 1 70 . 1 . 1 27 27 ARG CA C 13 55.412 0.01 . 1 . . . . . 29 ARG CA . 50540 1 71 . 1 . 1 27 27 ARG CB C 13 30.223 0.02 . 1 . . . . . 29 ARG CB . 50540 1 72 . 1 . 1 27 27 ARG N N 15 121.622 0.01 . 1 . . . . . 29 ARG N . 50540 1 73 . 1 . 1 28 28 ASN H H 1 8.439 0.00 . 1 . . . . . 30 ASN H . 50540 1 74 . 1 . 1 28 28 ASN CA C 13 50.928 0.00 . 1 . . . . . 30 ASN CA . 50540 1 75 . 1 . 1 28 28 ASN CB C 13 38.465 0.00 . 1 . . . . . 30 ASN CB . 50540 1 76 . 1 . 1 28 28 ASN N N 15 121.345 0.02 . 1 . . . . . 30 ASN N . 50540 1 77 . 1 . 1 29 29 PRO C C 13 177.333 0.00 . 1 . . . . . 31 PRO C . 50540 1 78 . 1 . 1 29 29 PRO CA C 13 63.355 0.04 . 1 . . . . . 31 PRO CA . 50540 1 79 . 1 . 1 29 29 PRO CB C 13 31.249 0.07 . 1 . . . . . 31 PRO CB . 50540 1 80 . 1 . 1 30 30 GLY H H 1 8.316 0.00 . 1 . . . . . 32 GLY H . 50540 1 81 . 1 . 1 30 30 GLY C C 13 174.036 0.00 . 1 . . . . . 32 GLY C . 50540 1 82 . 1 . 1 30 30 GLY CA C 13 44.795 0.03 . 1 . . . . . 32 GLY CA . 50540 1 83 . 1 . 1 30 30 GLY N N 15 108.116 0.02 . 1 . . . . . 32 GLY N . 50540 1 84 . 1 . 1 31 31 CYS H H 1 8.048 0.00 . 1 . . . . . 33 CYS H . 50540 1 85 . 1 . 1 31 31 CYS CA C 13 52.894 0.00 . 1 . . . . . 33 CYS CA . 50540 1 86 . 1 . 1 31 31 CYS CB C 13 40.179 0.00 . 1 . . . . . 33 CYS CB . 50540 1 87 . 1 . 1 31 31 CYS N N 15 119.235 0.03 . 1 . . . . . 33 CYS N . 50540 1 88 . 1 . 1 32 32 PRO C C 13 176.662 0.00 . 1 . . . . . 34 PRO C . 50540 1 89 . 1 . 1 32 32 PRO CA C 13 63.350 0.01 . 1 . . . . . 34 PRO CA . 50540 1 90 . 1 . 1 32 32 PRO CB C 13 31.160 0.08 . 1 . . . . . 34 PRO CB . 50540 1 91 . 1 . 1 33 33 ASN H H 1 8.429 0.00 . 1 . . . . . 35 ASN H . 50540 1 92 . 1 . 1 33 33 ASN C C 13 175.383 0.00 . 1 . . . . . 35 ASN C . 50540 1 93 . 1 . 1 33 33 ASN CA C 13 53.011 0.01 . 1 . . . . . 35 ASN CA . 50540 1 94 . 1 . 1 33 33 ASN CB C 13 38.242 0.04 . 1 . . . . . 35 ASN CB . 50540 1 95 . 1 . 1 33 33 ASN N N 15 117.982 0.01 . 1 . . . . . 35 ASN N . 50540 1 96 . 1 . 1 34 34 SER H H 1 8.108 0.00 . 1 . . . . . 36 SER H . 50540 1 97 . 1 . 1 34 34 SER C C 13 174.642 0.00 . 1 . . . . . 36 SER C . 50540 1 98 . 1 . 1 34 34 SER CA C 13 58.474 0.04 . 1 . . . . . 36 SER CA . 50540 1 99 . 1 . 1 34 34 SER CB C 13 63.635 0.06 . 1 . . . . . 36 SER CB . 50540 1 100 . 1 . 1 34 34 SER N N 15 116.312 0.01 . 1 . . . . . 36 SER N . 50540 1 101 . 1 . 1 35 35 GLU H H 1 8.438 0.00 . 1 . . . . . 37 GLU H . 50540 1 102 . 1 . 1 35 35 GLU C C 13 176.117 0.00 . 1 . . . . . 37 GLU C . 50540 1 103 . 1 . 1 35 35 GLU CA C 13 56.241 0.03 . 1 . . . . . 37 GLU CA . 50540 1 104 . 1 . 1 35 35 GLU CB C 13 29.408 0.00 . 1 . . . . . 37 GLU CB . 50540 1 105 . 1 . 1 35 35 GLU N N 15 122.504 0.01 . 1 . . . . . 37 GLU N . 50540 1 106 . 1 . 1 36 36 ASP H H 1 8.123 0.00 . 1 . . . . . 38 ASP H . 50540 1 107 . 1 . 1 36 36 ASP C C 13 176.469 0.00 . 1 . . . . . 38 ASP C . 50540 1 108 . 1 . 1 36 36 ASP CA C 13 54.020 0.02 . 1 . . . . . 38 ASP CA . 50540 1 109 . 1 . 1 36 36 ASP CB C 13 40.628 0.01 . 1 . . . . . 38 ASP CB . 50540 1 110 . 1 . 1 36 36 ASP N N 15 121.605 0.02 . 1 . . . . . 38 ASP N . 50540 1 111 . 1 . 1 37 37 LYS H H 1 8.281 0.00 . 1 . . . . . 39 LYS H . 50540 1 112 . 1 . 1 37 37 LYS CA C 13 56.188 0.06 . 1 . . . . . 39 LYS CA . 50540 1 113 . 1 . 1 37 37 LYS CB C 13 32.229 0.11 . 1 . . . . . 39 LYS CB . 50540 1 114 . 1 . 1 37 37 LYS N N 15 122.151 0.02 . 1 . . . . . 39 LYS N . 50540 1 115 . 1 . 1 38 38 ASN H H 1 8.325 0.00 . 1 . . . . . 40 ASN H . 50540 1 116 . 1 . 1 38 38 ASN C C 13 175.552 0.00 . 1 . . . . . 40 ASN C . 50540 1 117 . 1 . 1 38 38 ASN CA C 13 53.169 0.02 . 1 . . . . . 40 ASN CA . 50540 1 118 . 1 . 1 38 38 ASN CB C 13 38.809 0.07 . 1 . . . . . 40 ASN CB . 50540 1 119 . 1 . 1 38 38 ASN N N 15 119.339 0.03 . 1 . . . . . 40 ASN N . 50540 1 120 . 1 . 1 39 39 PHE H H 1 8.998 0.00 . 1 . . . . . 41 PHE H . 50540 1 121 . 1 . 1 39 39 PHE CA C 13 56.293 0.00 . 1 . . . . . 41 PHE CA . 50540 1 122 . 1 . 1 39 39 PHE CB C 13 38.079 0.00 . 1 . . . . . 41 PHE CB . 50540 1 123 . 1 . 1 39 39 PHE N N 15 123.723 0.03 . 1 . . . . . 41 PHE N . 50540 1 124 . 1 . 1 40 40 PRO C C 13 174.279 0.00 . 1 . . . . . 42 PRO C . 50540 1 125 . 1 . 1 40 40 PRO CA C 13 61.618 0.02 . 1 . . . . . 42 PRO CA . 50540 1 126 . 1 . 1 40 40 PRO CB C 13 31.039 0.02 . 1 . . . . . 42 PRO CB . 50540 1 127 . 1 . 1 41 41 ARG H H 1 7.933 0.00 . 1 . . . . . 43 ARG H . 50540 1 128 . 1 . 1 41 41 ARG C C 13 176.211 0.00 . 1 . . . . . 43 ARG C . 50540 1 129 . 1 . 1 41 41 ARG CA C 13 57.402 0.09 . 1 . . . . . 43 ARG CA . 50540 1 130 . 1 . 1 41 41 ARG CB C 13 29.433 0.13 . 1 . . . . . 43 ARG CB . 50540 1 131 . 1 . 1 41 41 ARG N N 15 115.981 0.01 . 1 . . . . . 43 ARG N . 50540 1 132 . 1 . 1 42 42 THR H H 1 7.204 0.00 . 1 . . . . . 44 THR H . 50540 1 133 . 1 . 1 42 42 THR C C 13 173.373 0.00 . 1 . . . . . 44 THR C . 50540 1 134 . 1 . 1 42 42 THR CA C 13 59.610 0.09 . 1 . . . . . 44 THR CA . 50540 1 135 . 1 . 1 42 42 THR CB C 13 70.556 0.11 . 1 . . . . . 44 THR CB . 50540 1 136 . 1 . 1 42 42 THR N N 15 109.631 0.02 . 1 . . . . . 44 THR N . 50540 1 137 . 1 . 1 43 43 VAL H H 1 8.802 0.00 . 1 . . . . . 45 VAL H . 50540 1 138 . 1 . 1 43 43 VAL CA C 13 58.288 0.07 . 1 . . . . . 45 VAL CA . 50540 1 139 . 1 . 1 43 43 VAL CB C 13 35.006 0.04 . 1 . . . . . 45 VAL CB . 50540 1 140 . 1 . 1 43 43 VAL N N 15 117.482 0.03 . 1 . . . . . 45 VAL N . 50540 1 141 . 1 . 1 44 44 MET H H 1 8.231 0.00 . 1 . . . . . 46 MET H . 50540 1 142 . 1 . 1 44 44 MET C C 13 176.365 0.00 . 1 . . . . . 46 MET C . 50540 1 143 . 1 . 1 44 44 MET CA C 13 52.999 0.03 . 1 . . . . . 46 MET CA . 50540 1 144 . 1 . 1 44 44 MET N N 15 120.885 0.02 . 1 . . . . . 46 MET N . 50540 1 145 . 1 . 1 45 45 VAL H H 1 8.810 0.00 . 1 . . . . . 47 VAL H . 50540 1 146 . 1 . 1 45 45 VAL C C 13 174.933 0.00 . 1 . . . . . 47 VAL C . 50540 1 147 . 1 . 1 45 45 VAL CA C 13 58.463 0.08 . 1 . . . . . 47 VAL CA . 50540 1 148 . 1 . 1 45 45 VAL CB C 13 34.694 0.05 . 1 . . . . . 47 VAL CB . 50540 1 149 . 1 . 1 45 45 VAL N N 15 116.923 0.09 . 1 . . . . . 47 VAL N . 50540 1 150 . 1 . 1 46 46 ASN H H 1 8.415 0.00 . 1 . . . . . 48 ASN H . 50540 1 151 . 1 . 1 46 46 ASN CA C 13 53.226 0.00 . 1 . . . . . 48 ASN CA . 50540 1 152 . 1 . 1 46 46 ASN CB C 13 38.823 0.07 . 1 . . . . . 48 ASN CB . 50540 1 153 . 1 . 1 46 46 ASN N N 15 120.861 0.11 . 1 . . . . . 48 ASN N . 50540 1 154 . 1 . 1 47 47 LEU H H 1 8.022 0.00 . 1 . . . . . 49 LEU H . 50540 1 155 . 1 . 1 47 47 LEU CA C 13 55.683 0.05 . 1 . . . . . 49 LEU CA . 50540 1 156 . 1 . 1 47 47 LEU CB C 13 41.900 0.09 . 1 . . . . . 49 LEU CB . 50540 1 157 . 1 . 1 47 47 LEU N N 15 123.150 0.05 . 1 . . . . . 49 LEU N . 50540 1 158 . 1 . 1 48 48 ASN H H 1 8.330 0.00 . 1 . . . . . 50 ASN H . 50540 1 159 . 1 . 1 48 48 ASN C C 13 175.012 0.00 . 1 . . . . . 50 ASN C . 50540 1 160 . 1 . 1 48 48 ASN CA C 13 52.671 0.00 . 1 . . . . . 50 ASN CA . 50540 1 161 . 1 . 1 48 48 ASN CB C 13 38.034 0.07 . 1 . . . . . 50 ASN CB . 50540 1 162 . 1 . 1 48 48 ASN N N 15 119.426 0.04 . 1 . . . . . 50 ASN N . 50540 1 163 . 1 . 1 49 49 ILE H H 1 7.949 0.00 . 1 . . . . . 51 ILE H . 50540 1 164 . 1 . 1 49 49 ILE CA C 13 60.967 0.00 . 1 . . . . . 51 ILE CA . 50540 1 165 . 1 . 1 49 49 ILE CB C 13 37.795 0.00 . 1 . . . . . 51 ILE CB . 50540 1 166 . 1 . 1 49 49 ILE N N 15 122.780 0.01 . 1 . . . . . 51 ILE N . 50540 1 167 . 1 . 1 55 55 ASN C C 13 175.405 0.00 . 1 . . . . . 57 ASN C . 50540 1 168 . 1 . 1 55 55 ASN CA C 13 53.144 0.02 . 1 . . . . . 57 ASN CA . 50540 1 169 . 1 . 1 55 55 ASN CB C 13 38.293 0.02 . 1 . . . . . 57 ASN CB . 50540 1 170 . 1 . 1 56 56 THR H H 1 8.050 0.00 . 1 . . . . . 58 THR H . 50540 1 171 . 1 . 1 56 56 THR C C 13 174.160 0.00 . 1 . . . . . 58 THR C . 50540 1 172 . 1 . 1 56 56 THR CA C 13 61.490 0.11 . 1 . . . . . 58 THR CA . 50540 1 173 . 1 . 1 56 56 THR CB C 13 69.278 0.01 . 1 . . . . . 58 THR CB . 50540 1 174 . 1 . 1 56 56 THR N N 15 114.349 0.01 . 1 . . . . . 58 THR N . 50540 1 175 . 1 . 1 57 57 ASN H H 1 8.329 0.00 . 1 . . . . . 59 ASN H . 50540 1 176 . 1 . 1 57 57 ASN CA C 13 51.139 0.00 . 1 . . . . . 59 ASN CA . 50540 1 177 . 1 . 1 57 57 ASN CB C 13 38.344 0.00 . 1 . . . . . 59 ASN CB . 50540 1 178 . 1 . 1 57 57 ASN N N 15 121.931 0.02 . 1 . . . . . 59 ASN N . 50540 1 179 . 1 . 1 58 58 PRO C C 13 177.211 0.00 . 1 . . . . . 60 PRO C . 50540 1 180 . 1 . 1 58 58 PRO CA C 13 62.991 0.00 . 1 . . . . . 60 PRO CA . 50540 1 181 . 1 . 1 58 58 PRO CB C 13 31.296 0.00 . 1 . . . . . 60 PRO CB . 50540 1 182 . 1 . 1 59 59 LYS H H 1 8.167 0.00 . 1 . . . . . 61 LYS H . 50540 1 183 . 1 . 1 59 59 LYS C C 13 177.073 0.00 . 1 . . . . . 61 LYS C . 50540 1 184 . 1 . 1 59 59 LYS CA C 13 56.275 0.01 . 1 . . . . . 61 LYS CA . 50540 1 185 . 1 . 1 59 59 LYS CB C 13 31.867 0.01 . 1 . . . . . 61 LYS CB . 50540 1 186 . 1 . 1 59 59 LYS N N 15 120.818 0.06 . 1 . . . . . 61 LYS N . 50540 1 187 . 1 . 1 60 60 ARG H H 1 8.064 0.00 . 1 . . . . . 62 ARG H . 50540 1 188 . 1 . 1 60 60 ARG C C 13 176.499 0.00 . 1 . . . . . 62 ARG C . 50540 1 189 . 1 . 1 60 60 ARG CA C 13 55.872 0.03 . 1 . . . . . 62 ARG CA . 50540 1 190 . 1 . 1 60 60 ARG CB C 13 29.934 0.00 . 1 . . . . . 62 ARG CB . 50540 1 191 . 1 . 1 60 60 ARG N N 15 121.194 0.04 . 1 . . . . . 62 ARG N . 50540 1 192 . 1 . 1 61 61 SER H H 1 8.089 0.00 . 1 . . . . . 63 SER H . 50540 1 193 . 1 . 1 61 61 SER C C 13 174.756 0.00 . 1 . . . . . 63 SER C . 50540 1 194 . 1 . 1 61 61 SER N N 15 116.226 0.06 . 1 . . . . . 63 SER N . 50540 1 195 . 1 . 1 62 62 SER H H 1 8.001 0.00 . 1 . . . . . 64 SER H . 50540 1 196 . 1 . 1 62 62 SER C C 13 174.451 0.00 . 1 . . . . . 64 SER C . 50540 1 197 . 1 . 1 62 62 SER CA C 13 58.356 0.06 . 1 . . . . . 64 SER CA . 50540 1 198 . 1 . 1 62 62 SER CB C 13 63.528 0.10 . 1 . . . . . 64 SER CB . 50540 1 199 . 1 . 1 62 62 SER N N 15 117.042 0.03 . 1 . . . . . 64 SER N . 50540 1 200 . 1 . 1 63 63 ASP H H 1 8.106 0.00 . 1 . . . . . 65 ASP H . 50540 1 201 . 1 . 1 63 63 ASP C C 13 177.809 0.00 . 1 . . . . . 65 ASP C . 50540 1 202 . 1 . 1 63 63 ASP CA C 13 53.195 0.01 . 1 . . . . . 65 ASP CA . 50540 1 203 . 1 . 1 63 63 ASP CB C 13 39.547 0.04 . 1 . . . . . 65 ASP CB . 50540 1 204 . 1 . 1 63 63 ASP N N 15 121.048 0.03 . 1 . . . . . 65 ASP N . 50540 1 205 . 1 . 1 64 64 TYR H H 1 7.591 0.00 . 1 . . . . . 66 TYR H . 50540 1 206 . 1 . 1 64 64 TYR C C 13 176.452 0.00 . 1 . . . . . 66 TYR C . 50540 1 207 . 1 . 1 64 64 TYR CA C 13 58.120 0.04 . 1 . . . . . 66 TYR CA . 50540 1 208 . 1 . 1 64 64 TYR CB C 13 35.864 0.00 . 1 . . . . . 66 TYR CB . 50540 1 209 . 1 . 1 64 64 TYR N N 15 120.397 0.05 . 1 . . . . . 66 TYR N . 50540 1 210 . 1 . 1 65 65 TYR H H 1 7.361 0.00 . 1 . . . . . 67 TYR H . 50540 1 211 . 1 . 1 65 65 TYR C C 13 174.147 0.00 . 1 . . . . . 67 TYR C . 50540 1 212 . 1 . 1 65 65 TYR CA C 13 57.870 0.04 . 1 . . . . . 67 TYR CA . 50540 1 213 . 1 . 1 65 65 TYR CB C 13 33.773 0.00 . 1 . . . . . 67 TYR CB . 50540 1 214 . 1 . 1 65 65 TYR N N 15 115.235 0.01 . 1 . . . . . 67 TYR N . 50540 1 215 . 1 . 1 66 66 ASN H H 1 6.187 0.00 . 1 . . . . . 68 ASN H . 50540 1 216 . 1 . 1 66 66 ASN C C 13 176.787 0.00 . 1 . . . . . 68 ASN C . 50540 1 217 . 1 . 1 66 66 ASN CA C 13 52.193 0.10 . 1 . . . . . 68 ASN CA . 50540 1 218 . 1 . 1 66 66 ASN CB C 13 39.310 0.05 . 1 . . . . . 68 ASN CB . 50540 1 219 . 1 . 1 66 66 ASN N N 15 114.770 0.08 . 1 . . . . . 68 ASN N . 50540 1 220 . 1 . 1 67 67 ARG H H 1 7.274 0.00 . 1 . . . . . 69 ARG H . 50540 1 221 . 1 . 1 67 67 ARG C C 13 175.247 0.00 . 1 . . . . . 69 ARG C . 50540 1 222 . 1 . 1 67 67 ARG CA C 13 55.822 0.07 . 1 . . . . . 69 ARG CA . 50540 1 223 . 1 . 1 67 67 ARG CB C 13 30.787 0.02 . 1 . . . . . 69 ARG CB . 50540 1 224 . 1 . 1 67 67 ARG N N 15 117.477 0.03 . 1 . . . . . 69 ARG N . 50540 1 225 . 1 . 1 68 68 SER H H 1 7.042 0.00 . 1 . . . . . 70 SER H . 50540 1 226 . 1 . 1 68 68 SER C C 13 175.911 0.00 . 1 . . . . . 70 SER C . 50540 1 227 . 1 . 1 68 68 SER CA C 13 56.095 0.08 . 1 . . . . . 70 SER CA . 50540 1 228 . 1 . 1 68 68 SER CB C 13 62.891 0.07 . 1 . . . . . 70 SER CB . 50540 1 229 . 1 . 1 68 68 SER N N 15 112.757 0.05 . 1 . . . . . 70 SER N . 50540 1 230 . 1 . 1 69 69 THR H H 1 9.083 0.01 . 1 . . . . . 71 THR H . 50540 1 231 . 1 . 1 69 69 THR C C 13 174.120 0.00 . 1 . . . . . 71 THR C . 50540 1 232 . 1 . 1 69 69 THR CA C 13 62.806 0.00 . 1 . . . . . 71 THR CA . 50540 1 233 . 1 . 1 69 69 THR CB C 13 68.936 0.00 . 1 . . . . . 71 THR CB . 50540 1 234 . 1 . 1 69 69 THR N N 15 116.890 0.01 . 1 . . . . . 71 THR N . 50540 1 235 . 1 . 1 70 70 SER H H 1 9.169 0.01 . 1 . . . . . 72 SER H . 50540 1 236 . 1 . 1 70 70 SER CA C 13 52.657 0.00 . 1 . . . . . 72 SER CA . 50540 1 237 . 1 . 1 70 70 SER N N 15 115.892 0.04 . 1 . . . . . 72 SER N . 50540 1 238 . 1 . 1 71 71 PRO C C 13 176.249 0.00 . 1 . . . . . 73 PRO C . 50540 1 239 . 1 . 1 71 71 PRO CA C 13 63.457 0.08 . 1 . . . . . 73 PRO CA . 50540 1 240 . 1 . 1 71 71 PRO CB C 13 33.145 0.07 . 1 . . . . . 73 PRO CB . 50540 1 241 . 1 . 1 72 72 TRP H H 1 8.572 0.00 . 1 . . . . . 74 TRP H . 50540 1 242 . 1 . 1 72 72 TRP C C 13 172.576 0.00 . 1 . . . . . 74 TRP C . 50540 1 243 . 1 . 1 72 72 TRP CA C 13 56.402 0.07 . 1 . . . . . 74 TRP CA . 50540 1 244 . 1 . 1 72 72 TRP CB C 13 33.127 0.19 . 1 . . . . . 74 TRP CB . 50540 1 245 . 1 . 1 72 72 TRP N N 15 117.241 0.02 . 1 . . . . . 74 TRP N . 50540 1 246 . 1 . 1 73 73 ASN H H 1 8.733 0.00 . 1 . . . . . 75 ASN H . 50540 1 247 . 1 . 1 73 73 ASN C C 13 175.083 0.00 . 1 . . . . . 75 ASN C . 50540 1 248 . 1 . 1 73 73 ASN CA C 13 50.750 0.01 . 1 . . . . . 75 ASN CA . 50540 1 249 . 1 . 1 73 73 ASN CB C 13 40.532 0.05 . 1 . . . . . 75 ASN CB . 50540 1 250 . 1 . 1 73 73 ASN N N 15 115.773 0.01 . 1 . . . . . 75 ASN N . 50540 1 251 . 1 . 1 74 74 LEU H H 1 8.602 0.00 . 1 . . . . . 76 LEU H . 50540 1 252 . 1 . 1 74 74 LEU C C 13 176.662 0.00 . 1 . . . . . 76 LEU C . 50540 1 253 . 1 . 1 74 74 LEU CA C 13 53.502 0.03 . 1 . . . . . 76 LEU CA . 50540 1 254 . 1 . 1 74 74 LEU CB C 13 43.312 0.02 . 1 . . . . . 76 LEU CB . 50540 1 255 . 1 . 1 74 74 LEU N N 15 121.755 0.02 . 1 . . . . . 76 LEU N . 50540 1 256 . 1 . 1 75 75 HIS H H 1 9.603 0.00 . 1 . . . . . 77 HIS H . 50540 1 257 . 1 . 1 75 75 HIS C C 13 173.889 0.00 . 1 . . . . . 77 HIS C . 50540 1 258 . 1 . 1 75 75 HIS CA C 13 54.749 0.06 . 1 . . . . . 77 HIS CA . 50540 1 259 . 1 . 1 75 75 HIS CB C 13 31.966 0.04 . 1 . . . . . 77 HIS CB . 50540 1 260 . 1 . 1 75 75 HIS N N 15 123.321 0.01 . 1 . . . . . 77 HIS N . 50540 1 261 . 1 . 1 76 76 ARG H H 1 8.548 0.00 . 1 . . . . . 78 ARG H . 50540 1 262 . 1 . 1 76 76 ARG C C 13 174.042 0.00 . 1 . . . . . 78 ARG C . 50540 1 263 . 1 . 1 76 76 ARG CA C 13 56.487 0.02 . 1 . . . . . 78 ARG CA . 50540 1 264 . 1 . 1 76 76 ARG CB C 13 30.049 0.06 . 1 . . . . . 78 ARG CB . 50540 1 265 . 1 . 1 76 76 ARG N N 15 127.603 0.01 . 1 . . . . . 78 ARG N . 50540 1 266 . 1 . 1 77 77 ASN H H 1 8.345 0.00 . 1 . . . . . 79 ASN H . 50540 1 267 . 1 . 1 77 77 ASN C C 13 173.894 0.00 . 1 . . . . . 79 ASN C . 50540 1 268 . 1 . 1 77 77 ASN CA C 13 51.844 0.01 . 1 . . . . . 79 ASN CA . 50540 1 269 . 1 . 1 77 77 ASN CB C 13 38.166 0.01 . 1 . . . . . 79 ASN CB . 50540 1 270 . 1 . 1 77 77 ASN N N 15 127.734 0.04 . 1 . . . . . 79 ASN N . 50540 1 271 . 1 . 1 78 78 GLU H H 1 8.634 0.00 . 1 . . . . . 80 GLU H . 50540 1 272 . 1 . 1 78 78 GLU C C 13 175.069 0.00 . 1 . . . . . 80 GLU C . 50540 1 273 . 1 . 1 78 78 GLU CA C 13 53.743 0.01 . 1 . . . . . 80 GLU CA . 50540 1 274 . 1 . 1 78 78 GLU CB C 13 31.723 0.04 . 1 . . . . . 80 GLU CB . 50540 1 275 . 1 . 1 78 78 GLU N N 15 127.370 0.02 . 1 . . . . . 80 GLU N . 50540 1 276 . 1 . 1 79 79 ASP H H 1 8.676 0.00 . 1 . . . . . 81 ASP H . 50540 1 277 . 1 . 1 79 79 ASP CA C 13 50.384 0.00 . 1 . . . . . 81 ASP CA . 50540 1 278 . 1 . 1 79 79 ASP CB C 13 42.530 0.00 . 1 . . . . . 81 ASP CB . 50540 1 279 . 1 . 1 79 79 ASP N N 15 125.410 0.03 . 1 . . . . . 81 ASP N . 50540 1 280 . 1 . 1 80 80 PRO C C 13 178.012 0.00 . 1 . . . . . 82 PRO C . 50540 1 281 . 1 . 1 80 80 PRO CA C 13 63.722 0.07 . 1 . . . . . 82 PRO CA . 50540 1 282 . 1 . 1 80 80 PRO CB C 13 31.712 0.02 . 1 . . . . . 82 PRO CB . 50540 1 283 . 1 . 1 81 81 GLU H H 1 8.257 0.00 . 1 . . . . . 83 GLU H . 50540 1 284 . 1 . 1 81 81 GLU C C 13 173.075 0.00 . 1 . . . . . 83 GLU C . 50540 1 285 . 1 . 1 81 81 GLU CA C 13 55.298 0.02 . 1 . . . . . 83 GLU CA . 50540 1 286 . 1 . 1 81 81 GLU CB C 13 29.073 0.01 . 1 . . . . . 83 GLU CB . 50540 1 287 . 1 . 1 81 81 GLU N N 15 118.259 0.02 . 1 . . . . . 83 GLU N . 50540 1 288 . 1 . 1 82 82 ARG H H 1 7.672 0.00 . 1 . . . . . 84 ARG H . 50540 1 289 . 1 . 1 82 82 ARG C C 13 174.525 0.00 . 1 . . . . . 84 ARG C . 50540 1 290 . 1 . 1 82 82 ARG CA C 13 52.885 0.00 . 1 . . . . . 84 ARG CA . 50540 1 291 . 1 . 1 82 82 ARG CB C 13 34.729 0.02 . 1 . . . . . 84 ARG CB . 50540 1 292 . 1 . 1 82 82 ARG N N 15 123.340 0.02 . 1 . . . . . 84 ARG N . 50540 1 293 . 1 . 1 83 83 TYR H H 1 8.973 0.00 . 1 . . . . . 85 TYR H . 50540 1 294 . 1 . 1 83 83 TYR CA C 13 54.488 0.00 . 1 . . . . . 85 TYR CA . 50540 1 295 . 1 . 1 83 83 TYR CB C 13 40.635 0.00 . 1 . . . . . 85 TYR CB . 50540 1 296 . 1 . 1 83 83 TYR N N 15 124.852 0.02 . 1 . . . . . 85 TYR N . 50540 1 297 . 1 . 1 84 84 PRO C C 13 176.639 0.00 . 1 . . . . . 86 PRO C . 50540 1 298 . 1 . 1 84 84 PRO CA C 13 61.931 0.02 . 1 . . . . . 86 PRO CA . 50540 1 299 . 1 . 1 84 84 PRO CB C 13 33.471 0.02 . 1 . . . . . 86 PRO CB . 50540 1 300 . 1 . 1 85 85 SER H H 1 8.891 0.00 . 1 . . . . . 87 SER H . 50540 1 301 . 1 . 1 85 85 SER C C 13 176.004 0.00 . 1 . . . . . 87 SER C . 50540 1 302 . 1 . 1 85 85 SER CA C 13 60.421 0.15 . 1 . . . . . 87 SER CA . 50540 1 303 . 1 . 1 85 85 SER CB C 13 63.338 0.02 . 1 . . . . . 87 SER CB . 50540 1 304 . 1 . 1 85 85 SER N N 15 120.800 0.02 . 1 . . . . . 87 SER N . 50540 1 305 . 1 . 1 86 86 VAL H H 1 7.798 0.00 . 1 . . . . . 88 VAL H . 50540 1 306 . 1 . 1 86 86 VAL C C 13 174.431 0.00 . 1 . . . . . 88 VAL C . 50540 1 307 . 1 . 1 86 86 VAL CA C 13 61.175 0.03 . 1 . . . . . 88 VAL CA . 50540 1 308 . 1 . 1 86 86 VAL CB C 13 32.420 0.02 . 1 . . . . . 88 VAL CB . 50540 1 309 . 1 . 1 86 86 VAL N N 15 122.519 0.02 . 1 . . . . . 88 VAL N . 50540 1 310 . 1 . 1 87 87 ILE H H 1 8.498 0.00 . 1 . . . . . 89 ILE H . 50540 1 311 . 1 . 1 87 87 ILE C C 13 173.802 0.00 . 1 . . . . . 89 ILE C . 50540 1 312 . 1 . 1 87 87 ILE CA C 13 59.083 0.03 . 1 . . . . . 89 ILE CA . 50540 1 313 . 1 . 1 87 87 ILE CB C 13 41.196 0.02 . 1 . . . . . 89 ILE CB . 50540 1 314 . 1 . 1 87 87 ILE N N 15 127.218 0.02 . 1 . . . . . 89 ILE N . 50540 1 315 . 1 . 1 88 88 TRP H H 1 8.686 0.00 . 1 . . . . . 90 TRP H . 50540 1 316 . 1 . 1 88 88 TRP C C 13 175.585 0.00 . 1 . . . . . 90 TRP C . 50540 1 317 . 1 . 1 88 88 TRP CA C 13 55.779 0.05 . 1 . . . . . 90 TRP CA . 50540 1 318 . 1 . 1 88 88 TRP CB C 13 29.768 0.11 . 1 . . . . . 90 TRP CB . 50540 1 319 . 1 . 1 88 88 TRP N N 15 127.243 0.02 . 1 . . . . . 90 TRP N . 50540 1 320 . 1 . 1 89 89 GLU H H 1 9.078 0.00 . 1 . . . . . 91 GLU H . 50540 1 321 . 1 . 1 89 89 GLU C C 13 175.580 0.00 . 1 . . . . . 91 GLU C . 50540 1 322 . 1 . 1 89 89 GLU CA C 13 54.850 0.02 . 1 . . . . . 91 GLU CA . 50540 1 323 . 1 . 1 89 89 GLU CB C 13 33.353 0.08 . 1 . . . . . 91 GLU CB . 50540 1 324 . 1 . 1 89 89 GLU N N 15 123.276 0.02 . 1 . . . . . 91 GLU N . 50540 1 325 . 1 . 1 90 90 ALA H H 1 8.055 0.00 . 1 . . . . . 92 ALA H . 50540 1 326 . 1 . 1 90 90 ALA C C 13 177.682 0.00 . 1 . . . . . 92 ALA C . 50540 1 327 . 1 . 1 90 90 ALA CA C 13 50.723 0.01 . 1 . . . . . 92 ALA CA . 50540 1 328 . 1 . 1 90 90 ALA CB C 13 20.123 0.03 . 1 . . . . . 92 ALA CB . 50540 1 329 . 1 . 1 90 90 ALA N N 15 123.902 0.02 . 1 . . . . . 92 ALA N . 50540 1 330 . 1 . 1 91 91 LYS H H 1 8.595 0.00 . 1 . . . . . 93 LYS H . 50540 1 331 . 1 . 1 91 91 LYS C C 13 176.386 0.00 . 1 . . . . . 93 LYS C . 50540 1 332 . 1 . 1 91 91 LYS CA C 13 54.618 0.04 . 1 . . . . . 93 LYS CA . 50540 1 333 . 1 . 1 91 91 LYS CB C 13 33.900 0.00 . 1 . . . . . 93 LYS CB . 50540 1 334 . 1 . 1 91 91 LYS N N 15 121.098 0.02 . 1 . . . . . 93 LYS N . 50540 1 335 . 1 . 1 92 92 CYS H H 1 9.030 0.00 . 1 . . . . . 94 CYS H . 50540 1 336 . 1 . 1 92 92 CYS C C 13 175.463 0.00 . 1 . . . . . 94 CYS C . 50540 1 337 . 1 . 1 92 92 CYS CA C 13 54.999 0.08 . 1 . . . . . 94 CYS CA . 50540 1 338 . 1 . 1 92 92 CYS CB C 13 36.826 0.07 . 1 . . . . . 94 CYS CB . 50540 1 339 . 1 . 1 92 92 CYS N N 15 124.296 0.04 . 1 . . . . . 94 CYS N . 50540 1 340 . 1 . 1 93 93 ARG H H 1 8.675 0.00 . 1 . . . . . 95 ARG H . 50540 1 341 . 1 . 1 93 93 ARG C C 13 175.719 0.00 . 1 . . . . . 95 ARG C . 50540 1 342 . 1 . 1 93 93 ARG CA C 13 58.949 0.00 . 1 . . . . . 95 ARG CA . 50540 1 343 . 1 . 1 93 93 ARG CB C 13 30.759 0.03 . 1 . . . . . 95 ARG CB . 50540 1 344 . 1 . 1 93 93 ARG N N 15 124.471 0.01 . 1 . . . . . 95 ARG N . 50540 1 345 . 1 . 1 94 94 HIS H H 1 9.038 0.00 . 1 . . . . . 96 HIS H . 50540 1 346 . 1 . 1 94 94 HIS C C 13 175.427 0.00 . 1 . . . . . 96 HIS C . 50540 1 347 . 1 . 1 94 94 HIS CA C 13 52.936 0.01 . 1 . . . . . 96 HIS CA . 50540 1 348 . 1 . 1 94 94 HIS CB C 13 32.751 0.01 . 1 . . . . . 96 HIS CB . 50540 1 349 . 1 . 1 94 94 HIS N N 15 116.489 0.04 . 1 . . . . . 96 HIS N . 50540 1 350 . 1 . 1 95 95 LEU H H 1 8.833 0.00 . 1 . . . . . 97 LEU H . 50540 1 351 . 1 . 1 95 95 LEU C C 13 180.794 0.00 . 1 . . . . . 97 LEU C . 50540 1 352 . 1 . 1 95 95 LEU CA C 13 56.709 0.01 . 1 . . . . . 97 LEU CA . 50540 1 353 . 1 . 1 95 95 LEU CB C 13 41.679 0.01 . 1 . . . . . 97 LEU CB . 50540 1 354 . 1 . 1 95 95 LEU N N 15 119.679 0.02 . 1 . . . . . 97 LEU N . 50540 1 355 . 1 . 1 96 96 GLY H H 1 6.493 0.00 . 1 . . . . . 98 GLY H . 50540 1 356 . 1 . 1 96 96 GLY C C 13 172.859 0.00 . 1 . . . . . 98 GLY C . 50540 1 357 . 1 . 1 96 96 GLY CA C 13 43.814 0.01 . 1 . . . . . 98 GLY CA . 50540 1 358 . 1 . 1 96 96 GLY N N 15 104.214 0.02 . 1 . . . . . 98 GLY N . 50540 1 359 . 1 . 1 97 97 CYS H H 1 7.474 0.00 . 1 . . . . . 99 CYS H . 50540 1 360 . 1 . 1 97 97 CYS C C 13 172.373 0.00 . 1 . . . . . 99 CYS C . 50540 1 361 . 1 . 1 97 97 CYS CA C 13 52.972 0.03 . 1 . . . . . 99 CYS CA . 50540 1 362 . 1 . 1 97 97 CYS CB C 13 45.144 0.06 . 1 . . . . . 99 CYS CB . 50540 1 363 . 1 . 1 97 97 CYS N N 15 114.920 0.01 . 1 . . . . . 99 CYS N . 50540 1 364 . 1 . 1 98 98 ILE H H 1 9.846 0.00 . 1 . . . . . 100 ILE H . 50540 1 365 . 1 . 1 98 98 ILE C C 13 175.970 0.00 . 1 . . . . . 100 ILE C . 50540 1 366 . 1 . 1 98 98 ILE CA C 13 59.800 0.02 . 1 . . . . . 100 ILE CA . 50540 1 367 . 1 . 1 98 98 ILE CB C 13 37.404 0.01 . 1 . . . . . 100 ILE CB . 50540 1 368 . 1 . 1 98 98 ILE N N 15 123.938 0.01 . 1 . . . . . 100 ILE N . 50540 1 369 . 1 . 1 99 99 ASN H H 1 8.484 0.00 . 1 . . . . . 101 ASN H . 50540 1 370 . 1 . 1 99 99 ASN C C 13 177.484 0.00 . 1 . . . . . 101 ASN C . 50540 1 371 . 1 . 1 99 99 ASN CA C 13 50.730 0.01 . 1 . . . . . 101 ASN CA . 50540 1 372 . 1 . 1 99 99 ASN CB C 13 39.427 0.03 . 1 . . . . . 101 ASN CB . 50540 1 373 . 1 . 1 99 99 ASN N N 15 125.329 0.01 . 1 . . . . . 101 ASN N . 50540 1 374 . 1 . 1 100 100 ALA H H 1 8.382 0.00 . 1 . . . . . 102 ALA H . 50540 1 375 . 1 . 1 100 100 ALA C C 13 178.192 0.00 . 1 . . . . . 102 ALA C . 50540 1 376 . 1 . 1 100 100 ALA CA C 13 54.314 0.04 . 1 . . . . . 102 ALA CA . 50540 1 377 . 1 . 1 100 100 ALA CB C 13 17.909 0.02 . 1 . . . . . 102 ALA CB . 50540 1 378 . 1 . 1 100 100 ALA N N 15 121.278 0.02 . 1 . . . . . 102 ALA N . 50540 1 379 . 1 . 1 101 101 ASP H H 1 7.573 0.00 . 1 . . . . . 103 ASP H . 50540 1 380 . 1 . 1 101 101 ASP C C 13 176.475 0.00 . 1 . . . . . 103 ASP C . 50540 1 381 . 1 . 1 101 101 ASP CA C 13 53.807 0.03 . 1 . . . . . 103 ASP CA . 50540 1 382 . 1 . 1 101 101 ASP CB C 13 40.807 0.05 . 1 . . . . . 103 ASP CB . 50540 1 383 . 1 . 1 101 101 ASP N N 15 115.047 0.04 . 1 . . . . . 103 ASP N . 50540 1 384 . 1 . 1 102 102 GLY H H 1 8.087 0.00 . 1 . . . . . 104 GLY H . 50540 1 385 . 1 . 1 102 102 GLY C C 13 173.683 0.00 . 1 . . . . . 104 GLY C . 50540 1 386 . 1 . 1 102 102 GLY CA C 13 44.748 0.01 . 1 . . . . . 104 GLY CA . 50540 1 387 . 1 . 1 102 102 GLY N N 15 107.562 0.03 . 1 . . . . . 104 GLY N . 50540 1 388 . 1 . 1 103 103 ASN H H 1 7.705 0.00 . 1 . . . . . 105 ASN H . 50540 1 389 . 1 . 1 103 103 ASN C C 13 173.841 0.00 . 1 . . . . . 105 ASN C . 50540 1 390 . 1 . 1 103 103 ASN CA C 13 51.363 0.02 . 1 . . . . . 105 ASN CA . 50540 1 391 . 1 . 1 103 103 ASN CB C 13 39.751 0.01 . 1 . . . . . 105 ASN CB . 50540 1 392 . 1 . 1 103 103 ASN N N 15 118.472 0.02 . 1 . . . . . 105 ASN N . 50540 1 393 . 1 . 1 104 104 VAL H H 1 8.317 0.00 . 1 . . . . . 106 VAL H . 50540 1 394 . 1 . 1 104 104 VAL C C 13 174.480 0.00 . 1 . . . . . 106 VAL C . 50540 1 395 . 1 . 1 104 104 VAL CA C 13 62.529 0.03 . 1 . . . . . 106 VAL CA . 50540 1 396 . 1 . 1 104 104 VAL CB C 13 30.589 0.06 . 1 . . . . . 106 VAL CB . 50540 1 397 . 1 . 1 104 104 VAL N N 15 121.107 0.01 . 1 . . . . . 106 VAL N . 50540 1 398 . 1 . 1 105 105 ASP H H 1 9.019 0.00 . 1 . . . . . 107 ASP H . 50540 1 399 . 1 . 1 105 105 ASP C C 13 176.734 0.00 . 1 . . . . . 107 ASP C . 50540 1 400 . 1 . 1 105 105 ASP CA C 13 52.316 0.02 . 1 . . . . . 107 ASP CA . 50540 1 401 . 1 . 1 105 105 ASP CB C 13 41.735 0.01 . 1 . . . . . 107 ASP CB . 50540 1 402 . 1 . 1 105 105 ASP N N 15 128.843 0.02 . 1 . . . . . 107 ASP N . 50540 1 403 . 1 . 1 106 106 TYR H H 1 8.544 0.00 . 1 . . . . . 108 TYR H . 50540 1 404 . 1 . 1 106 106 TYR C C 13 176.801 0.00 . 1 . . . . . 108 TYR C . 50540 1 405 . 1 . 1 106 106 TYR CA C 13 59.164 0.01 . 1 . . . . . 108 TYR CA . 50540 1 406 . 1 . 1 106 106 TYR CB C 13 36.692 0.05 . 1 . . . . . 108 TYR CB . 50540 1 407 . 1 . 1 106 106 TYR N N 15 122.497 0.01 . 1 . . . . . 108 TYR N . 50540 1 408 . 1 . 1 107 107 HIS H H 1 9.027 0.00 . 1 . . . . . 109 HIS H . 50540 1 409 . 1 . 1 107 107 HIS C C 13 174.065 0.00 . 1 . . . . . 109 HIS C . 50540 1 410 . 1 . 1 107 107 HIS CA C 13 57.087 0.02 . 1 . . . . . 109 HIS CA . 50540 1 411 . 1 . 1 107 107 HIS CB C 13 27.615 0.03 . 1 . . . . . 109 HIS CB . 50540 1 412 . 1 . 1 107 107 HIS N N 15 119.333 0.03 . 1 . . . . . 109 HIS N . 50540 1 413 . 1 . 1 108 108 MET H H 1 7.187 0.00 . 1 . . . . . 110 MET H . 50540 1 414 . 1 . 1 108 108 MET C C 13 174.104 0.00 . 1 . . . . . 110 MET C . 50540 1 415 . 1 . 1 108 108 MET CA C 13 53.251 0.02 . 1 . . . . . 110 MET CA . 50540 1 416 . 1 . 1 108 108 MET CB C 13 34.328 0.01 . 1 . . . . . 110 MET CB . 50540 1 417 . 1 . 1 108 108 MET N N 15 116.593 0.01 . 1 . . . . . 110 MET N . 50540 1 418 . 1 . 1 109 109 ASN H H 1 8.681 0.00 . 1 . . . . . 111 ASN H . 50540 1 419 . 1 . 1 109 109 ASN C C 13 175.426 0.00 . 1 . . . . . 111 ASN C . 50540 1 420 . 1 . 1 109 109 ASN CA C 13 51.518 0.01 . 1 . . . . . 111 ASN CA . 50540 1 421 . 1 . 1 109 109 ASN CB C 13 42.343 0.01 . 1 . . . . . 111 ASN CB . 50540 1 422 . 1 . 1 109 109 ASN N N 15 114.654 0.01 . 1 . . . . . 111 ASN N . 50540 1 423 . 1 . 1 110 110 SER H H 1 7.709 0.00 . 1 . . . . . 112 SER H . 50540 1 424 . 1 . 1 110 110 SER C C 13 174.395 0.00 . 1 . . . . . 112 SER C . 50540 1 425 . 1 . 1 110 110 SER CA C 13 59.372 0.10 . 1 . . . . . 112 SER CA . 50540 1 426 . 1 . 1 110 110 SER CB C 13 64.339 0.11 . 1 . . . . . 112 SER CB . 50540 1 427 . 1 . 1 110 110 SER N N 15 120.179 0.03 . 1 . . . . . 112 SER N . 50540 1 428 . 1 . 1 111 111 VAL H H 1 9.316 0.01 . 1 . . . . . 113 VAL H . 50540 1 429 . 1 . 1 111 111 VAL CA C 13 57.271 0.00 . 1 . . . . . 113 VAL CA . 50540 1 430 . 1 . 1 111 111 VAL CB C 13 34.057 0.00 . 1 . . . . . 113 VAL CB . 50540 1 431 . 1 . 1 111 111 VAL N N 15 121.535 0.06 . 1 . . . . . 113 VAL N . 50540 1 432 . 1 . 1 112 112 PRO C C 13 175.966 0.00 . 1 . . . . . 114 PRO C . 50540 1 433 . 1 . 1 112 112 PRO CA C 13 61.727 0.05 . 1 . . . . . 114 PRO CA . 50540 1 434 . 1 . 1 112 112 PRO CB C 13 31.371 0.05 . 1 . . . . . 114 PRO CB . 50540 1 435 . 1 . 1 113 113 ILE H H 1 8.231 0.00 . 1 . . . . . 115 ILE H . 50540 1 436 . 1 . 1 113 113 ILE C C 13 175.295 0.00 . 1 . . . . . 115 ILE C . 50540 1 437 . 1 . 1 113 113 ILE CA C 13 60.193 0.08 . 1 . . . . . 115 ILE CA . 50540 1 438 . 1 . 1 113 113 ILE CB C 13 38.181 0.02 . 1 . . . . . 115 ILE CB . 50540 1 439 . 1 . 1 113 113 ILE N N 15 120.228 0.03 . 1 . . . . . 115 ILE N . 50540 1 440 . 1 . 1 114 114 GLN H H 1 8.543 0.00 . 1 . . . . . 116 GLN H . 50540 1 441 . 1 . 1 114 114 GLN C C 13 174.424 0.00 . 1 . . . . . 116 GLN C . 50540 1 442 . 1 . 1 114 114 GLN CA C 13 53.764 0.01 . 1 . . . . . 116 GLN CA . 50540 1 443 . 1 . 1 114 114 GLN CB C 13 31.341 0.00 . 1 . . . . . 116 GLN CB . 50540 1 444 . 1 . 1 114 114 GLN N N 15 125.573 0.01 . 1 . . . . . 116 GLN N . 50540 1 445 . 1 . 1 115 115 GLN H H 1 8.963 0.00 . 1 . . . . . 117 GLN H . 50540 1 446 . 1 . 1 115 115 GLN C C 13 174.389 0.00 . 1 . . . . . 117 GLN C . 50540 1 447 . 1 . 1 115 115 GLN CA C 13 53.482 0.02 . 1 . . . . . 117 GLN CA . 50540 1 448 . 1 . 1 115 115 GLN CB C 13 32.675 0.03 . 1 . . . . . 117 GLN CB . 50540 1 449 . 1 . 1 115 115 GLN N N 15 122.176 0.02 . 1 . . . . . 117 GLN N . 50540 1 450 . 1 . 1 116 116 GLU H H 1 8.651 0.00 . 1 . . . . . 118 GLU H . 50540 1 451 . 1 . 1 116 116 GLU C C 13 176.148 0.00 . 1 . . . . . 118 GLU C . 50540 1 452 . 1 . 1 116 116 GLU CA C 13 55.327 0.02 . 1 . . . . . 118 GLU CA . 50540 1 453 . 1 . 1 116 116 GLU CB C 13 29.796 0.05 . 1 . . . . . 118 GLU CB . 50540 1 454 . 1 . 1 116 116 GLU N N 15 126.743 0.02 . 1 . . . . . 118 GLU N . 50540 1 455 . 1 . 1 117 117 ILE H H 1 9.160 0.00 . 1 . . . . . 119 ILE H . 50540 1 456 . 1 . 1 117 117 ILE C C 13 173.732 0.00 . 1 . . . . . 119 ILE C . 50540 1 457 . 1 . 1 117 117 ILE CA C 13 58.953 0.01 . 1 . . . . . 119 ILE CA . 50540 1 458 . 1 . 1 117 117 ILE CB C 13 40.868 0.10 . 1 . . . . . 119 ILE CB . 50540 1 459 . 1 . 1 117 117 ILE N N 15 122.095 0.01 . 1 . . . . . 119 ILE N . 50540 1 460 . 1 . 1 118 118 LEU H H 1 7.974 0.00 . 1 . . . . . 120 LEU H . 50540 1 461 . 1 . 1 118 118 LEU C C 13 176.174 0.00 . 1 . . . . . 120 LEU C . 50540 1 462 . 1 . 1 118 118 LEU CA C 13 53.235 0.01 . 1 . . . . . 120 LEU CA . 50540 1 463 . 1 . 1 118 118 LEU CB C 13 42.023 0.02 . 1 . . . . . 120 LEU CB . 50540 1 464 . 1 . 1 118 118 LEU N N 15 120.954 0.06 . 1 . . . . . 120 LEU N . 50540 1 465 . 1 . 1 119 119 VAL H H 1 8.947 0.00 . 1 . . . . . 121 VAL H . 50540 1 466 . 1 . 1 119 119 VAL C C 13 173.683 0.00 . 1 . . . . . 121 VAL C . 50540 1 467 . 1 . 1 119 119 VAL CA C 13 58.160 0.03 . 1 . . . . . 121 VAL CA . 50540 1 468 . 1 . 1 119 119 VAL CB C 13 34.035 0.01 . 1 . . . . . 121 VAL CB . 50540 1 469 . 1 . 1 119 119 VAL N N 15 113.237 0.01 . 1 . . . . . 121 VAL N . 50540 1 470 . 1 . 1 120 120 LEU H H 1 8.942 0.00 . 1 . . . . . 122 LEU H . 50540 1 471 . 1 . 1 120 120 LEU C C 13 176.377 0.00 . 1 . . . . . 122 LEU C . 50540 1 472 . 1 . 1 120 120 LEU CA C 13 52.905 0.07 . 1 . . . . . 122 LEU CA . 50540 1 473 . 1 . 1 120 120 LEU CB C 13 43.281 0.04 . 1 . . . . . 122 LEU CB . 50540 1 474 . 1 . 1 120 120 LEU N N 15 117.491 0.02 . 1 . . . . . 122 LEU N . 50540 1 475 . 1 . 1 121 121 ARG H H 1 9.061 0.00 . 1 . . . . . 123 ARG H . 50540 1 476 . 1 . 1 121 121 ARG C C 13 176.139 0.00 . 1 . . . . . 123 ARG C . 50540 1 477 . 1 . 1 121 121 ARG CA C 13 53.704 0.04 . 1 . . . . . 123 ARG CA . 50540 1 478 . 1 . 1 121 121 ARG CB C 13 31.767 0.01 . 1 . . . . . 123 ARG CB . 50540 1 479 . 1 . 1 121 121 ARG N N 15 121.891 0.02 . 1 . . . . . 123 ARG N . 50540 1 480 . 1 . 1 122 122 ARG H H 1 8.728 0.00 . 1 . . . . . 124 ARG H . 50540 1 481 . 1 . 1 122 122 ARG C C 13 175.176 0.00 . 1 . . . . . 124 ARG C . 50540 1 482 . 1 . 1 122 122 ARG CA C 13 57.890 0.01 . 1 . . . . . 124 ARG CA . 50540 1 483 . 1 . 1 122 122 ARG CB C 13 29.325 0.05 . 1 . . . . . 124 ARG CB . 50540 1 484 . 1 . 1 122 122 ARG N N 15 128.272 0.03 . 1 . . . . . 124 ARG N . 50540 1 485 . 1 . 1 123 123 GLU H H 1 8.185 0.00 . 1 . . . . . 125 GLU H . 50540 1 486 . 1 . 1 123 123 GLU CA C 13 53.494 0.00 . 1 . . . . . 125 GLU CA . 50540 1 487 . 1 . 1 123 123 GLU CB C 13 32.177 0.00 . 1 . . . . . 125 GLU CB . 50540 1 488 . 1 . 1 123 123 GLU N N 15 126.978 0.02 . 1 . . . . . 125 GLU N . 50540 1 489 . 1 . 1 129 129 ASN C C 13 172.639 0.00 . 1 . . . . . 131 ASN C . 50540 1 490 . 1 . 1 129 129 ASN CB C 13 38.076 0.00 . 1 . . . . . 131 ASN CB . 50540 1 491 . 1 . 1 130 130 SER H H 1 6.580 0.00 . 1 . . . . . 132 SER H . 50540 1 492 . 1 . 1 130 130 SER C C 13 173.114 0.00 . 1 . . . . . 132 SER C . 50540 1 493 . 1 . 1 130 130 SER CA C 13 56.840 0.05 . 1 . . . . . 132 SER CA . 50540 1 494 . 1 . 1 130 130 SER CB C 13 64.123 0.00 . 1 . . . . . 132 SER CB . 50540 1 495 . 1 . 1 130 130 SER N N 15 112.691 0.02 . 1 . . . . . 132 SER N . 50540 1 496 . 1 . 1 131 131 PHE H H 1 8.984 0.00 . 1 . . . . . 133 PHE H . 50540 1 497 . 1 . 1 131 131 PHE C C 13 175.071 0.00 . 1 . . . . . 133 PHE C . 50540 1 498 . 1 . 1 131 131 PHE CA C 13 56.304 0.05 . 1 . . . . . 133 PHE CA . 50540 1 499 . 1 . 1 131 131 PHE CB C 13 45.553 0.05 . 1 . . . . . 133 PHE CB . 50540 1 500 . 1 . 1 131 131 PHE N N 15 122.437 0.06 . 1 . . . . . 133 PHE N . 50540 1 501 . 1 . 1 132 132 ARG H H 1 9.764 0.00 . 1 . . . . . 134 ARG H . 50540 1 502 . 1 . 1 132 132 ARG C C 13 174.840 0.00 . 1 . . . . . 134 ARG C . 50540 1 503 . 1 . 1 132 132 ARG CA C 13 53.980 0.09 . 1 . . . . . 134 ARG CA . 50540 1 504 . 1 . 1 132 132 ARG CB C 13 33.013 0.01 . 1 . . . . . 134 ARG CB . 50540 1 505 . 1 . 1 132 132 ARG N N 15 121.940 0.01 . 1 . . . . . 134 ARG N . 50540 1 506 . 1 . 1 133 133 LEU H H 1 8.073 0.00 . 1 . . . . . 135 LEU H . 50540 1 507 . 1 . 1 133 133 LEU C C 13 175.559 0.00 . 1 . . . . . 135 LEU C . 50540 1 508 . 1 . 1 133 133 LEU CA C 13 54.559 0.01 . 1 . . . . . 135 LEU CA . 50540 1 509 . 1 . 1 133 133 LEU CB C 13 43.355 0.00 . 1 . . . . . 135 LEU CB . 50540 1 510 . 1 . 1 133 133 LEU N N 15 125.043 0.03 . 1 . . . . . 135 LEU N . 50540 1 511 . 1 . 1 134 134 GLU H H 1 9.170 0.00 . 1 . . . . . 136 GLU H . 50540 1 512 . 1 . 1 134 134 GLU C C 13 173.331 0.00 . 1 . . . . . 136 GLU C . 50540 1 513 . 1 . 1 134 134 GLU CA C 13 54.795 0.05 . 1 . . . . . 136 GLU CA . 50540 1 514 . 1 . 1 134 134 GLU CB C 13 33.113 0.09 . 1 . . . . . 136 GLU CB . 50540 1 515 . 1 . 1 134 134 GLU N N 15 125.432 0.01 . 1 . . . . . 136 GLU N . 50540 1 516 . 1 . 1 135 135 LYS H H 1 8.346 0.00 . 1 . . . . . 137 LYS H . 50540 1 517 . 1 . 1 135 135 LYS C C 13 176.549 0.00 . 1 . . . . . 137 LYS C . 50540 1 518 . 1 . 1 135 135 LYS CA C 13 54.583 0.03 . 1 . . . . . 137 LYS CA . 50540 1 519 . 1 . 1 135 135 LYS CB C 13 33.662 0.07 . 1 . . . . . 137 LYS CB . 50540 1 520 . 1 . 1 135 135 LYS N N 15 123.408 0.03 . 1 . . . . . 137 LYS N . 50540 1 521 . 1 . 1 136 136 ILE H H 1 8.858 0.00 . 1 . . . . . 138 ILE H . 50540 1 522 . 1 . 1 136 136 ILE C C 13 173.181 0.00 . 1 . . . . . 138 ILE C . 50540 1 523 . 1 . 1 136 136 ILE CA C 13 59.138 0.05 . 1 . . . . . 138 ILE CA . 50540 1 524 . 1 . 1 136 136 ILE CB C 13 41.154 0.02 . 1 . . . . . 138 ILE CB . 50540 1 525 . 1 . 1 136 136 ILE N N 15 120.440 0.02 . 1 . . . . . 138 ILE N . 50540 1 526 . 1 . 1 137 137 LEU H H 1 8.275 0.00 . 1 . . . . . 139 LEU H . 50540 1 527 . 1 . 1 137 137 LEU C C 13 176.494 0.00 . 1 . . . . . 139 LEU C . 50540 1 528 . 1 . 1 137 137 LEU CA C 13 53.547 0.02 . 1 . . . . . 139 LEU CA . 50540 1 529 . 1 . 1 137 137 LEU CB C 13 42.569 0.06 . 1 . . . . . 139 LEU CB . 50540 1 530 . 1 . 1 137 137 LEU N N 15 124.750 0.01 . 1 . . . . . 139 LEU N . 50540 1 531 . 1 . 1 138 138 VAL H H 1 8.612 0.00 . 1 . . . . . 140 VAL H . 50540 1 532 . 1 . 1 138 138 VAL C C 13 175.260 0.00 . 1 . . . . . 140 VAL C . 50540 1 533 . 1 . 1 138 138 VAL CA C 13 58.930 0.02 . 1 . . . . . 140 VAL CA . 50540 1 534 . 1 . 1 138 138 VAL CB C 13 34.975 0.06 . 1 . . . . . 140 VAL CB . 50540 1 535 . 1 . 1 138 138 VAL N N 15 121.871 0.04 . 1 . . . . . 140 VAL N . 50540 1 536 . 1 . 1 139 139 SER H H 1 9.111 0.00 . 1 . . . . . 141 SER H . 50540 1 537 . 1 . 1 139 139 SER C C 13 175.491 0.00 . 1 . . . . . 141 SER C . 50540 1 538 . 1 . 1 139 139 SER CA C 13 57.126 0.06 . 1 . . . . . 141 SER CA . 50540 1 539 . 1 . 1 139 139 SER CB C 13 63.230 0.14 . 1 . . . . . 141 SER CB . 50540 1 540 . 1 . 1 139 139 SER N N 15 120.206 0.02 . 1 . . . . . 141 SER N . 50540 1 541 . 1 . 1 140 140 VAL H H 1 8.588 0.00 . 1 . . . . . 142 VAL H . 50540 1 542 . 1 . 1 140 140 VAL C C 13 174.549 0.00 . 1 . . . . . 142 VAL C . 50540 1 543 . 1 . 1 140 140 VAL CA C 13 62.370 0.11 . 1 . . . . . 142 VAL CA . 50540 1 544 . 1 . 1 140 140 VAL CB C 13 32.415 0.00 . 1 . . . . . 142 VAL CB . 50540 1 545 . 1 . 1 140 140 VAL N N 15 123.951 0.01 . 1 . . . . . 142 VAL N . 50540 1 546 . 1 . 1 141 141 GLY H H 1 6.771 0.00 . 1 . . . . . 143 GLY H . 50540 1 547 . 1 . 1 141 141 GLY C C 13 169.738 0.00 . 1 . . . . . 143 GLY C . 50540 1 548 . 1 . 1 141 141 GLY CA C 13 42.050 0.00 . 1 . . . . . 143 GLY CA . 50540 1 549 . 1 . 1 141 141 GLY N N 15 102.338 0.03 . 1 . . . . . 143 GLY N . 50540 1 550 . 1 . 1 142 142 CYS H H 1 5.345 0.00 . 1 . . . . . 144 CYS H . 50540 1 551 . 1 . 1 142 142 CYS C C 13 171.535 0.00 . 1 . . . . . 144 CYS C . 50540 1 552 . 1 . 1 142 142 CYS CA C 13 56.460 0.00 . 1 . . . . . 144 CYS CA . 50540 1 553 . 1 . 1 142 142 CYS N N 15 115.417 0.01 . 1 . . . . . 144 CYS N . 50540 1 554 . 1 . 1 143 143 THR H H 1 9.295 0.00 . 1 . . . . . 145 THR H . 50540 1 555 . 1 . 1 143 143 THR C C 13 170.393 0.00 . 1 . . . . . 145 THR C . 50540 1 556 . 1 . 1 143 143 THR CA C 13 61.273 0.05 . 1 . . . . . 145 THR CA . 50540 1 557 . 1 . 1 143 143 THR CB C 13 70.971 0.00 . 1 . . . . . 145 THR CB . 50540 1 558 . 1 . 1 143 143 THR N N 15 120.840 0.02 . 1 . . . . . 145 THR N . 50540 1 559 . 1 . 1 144 144 CYS H H 1 8.595 0.01 . 1 . . . . . 146 CYS H . 50540 1 560 . 1 . 1 144 144 CYS C C 13 174.409 0.00 . 1 . . . . . 146 CYS C . 50540 1 561 . 1 . 1 144 144 CYS CA C 13 55.410 0.01 . 1 . . . . . 146 CYS CA . 50540 1 562 . 1 . 1 144 144 CYS CB C 13 43.760 0.03 . 1 . . . . . 146 CYS CB . 50540 1 563 . 1 . 1 144 144 CYS N N 15 124.717 0.02 . 1 . . . . . 146 CYS N . 50540 1 564 . 1 . 1 145 145 VAL H H 1 9.719 0.00 . 1 . . . . . 147 VAL H . 50540 1 565 . 1 . 1 145 145 VAL C C 13 175.827 0.00 . 1 . . . . . 147 VAL C . 50540 1 566 . 1 . 1 145 145 VAL CA C 13 58.425 0.04 . 1 . . . . . 147 VAL CA . 50540 1 567 . 1 . 1 145 145 VAL CB C 13 34.622 0.06 . 1 . . . . . 147 VAL CB . 50540 1 568 . 1 . 1 145 145 VAL N N 15 121.596 0.02 . 1 . . . . . 147 VAL N . 50540 1 569 . 1 . 1 146 146 THR H H 1 7.762 0.00 . 1 . . . . . 148 THR H . 50540 1 570 . 1 . 1 146 146 THR CA C 13 58.952 0.00 . 1 . . . . . 148 THR CA . 50540 1 571 . 1 . 1 146 146 THR CB C 13 68.542 0.00 . 1 . . . . . 148 THR CB . 50540 1 572 . 1 . 1 146 146 THR N N 15 116.178 0.02 . 1 . . . . . 148 THR N . 50540 1 573 . 1 . 1 147 147 PRO C C 13 176.858 0.00 . 1 . . . . . 149 PRO C . 50540 1 574 . 1 . 1 147 147 PRO CA C 13 62.555 0.02 . 1 . . . . . 149 PRO CA . 50540 1 575 . 1 . 1 147 147 PRO CB C 13 31.637 0.02 . 1 . . . . . 149 PRO CB . 50540 1 576 . 1 . 1 148 148 ILE H H 1 8.169 0.00 . 1 . . . . . 150 ILE H . 50540 1 577 . 1 . 1 148 148 ILE C C 13 175.872 0.00 . 1 . . . . . 150 ILE C . 50540 1 578 . 1 . 1 148 148 ILE CA C 13 60.986 0.05 . 1 . . . . . 150 ILE CA . 50540 1 579 . 1 . 1 148 148 ILE CB C 13 37.872 0.01 . 1 . . . . . 150 ILE CB . 50540 1 580 . 1 . 1 148 148 ILE N N 15 121.068 0.09 . 1 . . . . . 150 ILE N . 50540 1 581 . 1 . 1 149 149 VAL H H 1 8.054 0.00 . 1 . . . . . 151 VAL H . 50540 1 582 . 1 . 1 149 149 VAL C C 13 175.508 0.00 . 1 . . . . . 151 VAL C . 50540 1 583 . 1 . 1 149 149 VAL CA C 13 61.449 0.02 . 1 . . . . . 151 VAL CA . 50540 1 584 . 1 . 1 149 149 VAL CB C 13 32.116 0.00 . 1 . . . . . 151 VAL CB . 50540 1 585 . 1 . 1 149 149 VAL N N 15 124.922 0.06 . 1 . . . . . 151 VAL N . 50540 1 586 . 1 . 1 150 150 HIS H H 1 8.371 0.00 . 1 . . . . . 152 HIS H . 50540 1 587 . 1 . 1 150 150 HIS CA C 13 55.201 0.00 . 1 . . . . . 152 HIS CA . 50540 1 588 . 1 . 1 150 150 HIS CB C 13 29.910 0.00 . 1 . . . . . 152 HIS CB . 50540 1 589 . 1 . 1 150 150 HIS N N 15 124.076 0.01 . 1 . . . . . 152 HIS N . 50540 1 590 . 1 . 1 151 151 HIS C C 13 174.400 0.00 . 1 . . . . . 153 HIS C . 50540 1 591 . 1 . 1 151 151 HIS CA C 13 55.388 0.01 . 1 . . . . . 153 HIS CA . 50540 1 592 . 1 . 1 151 151 HIS CB C 13 29.700 0.01 . 1 . . . . . 153 HIS CB . 50540 1 593 . 1 . 1 152 152 VAL H H 1 8.122 0.00 . 1 . . . . . 154 VAL H . 50540 1 594 . 1 . 1 152 152 VAL C C 13 174.701 0.00 . 1 . . . . . 154 VAL C . 50540 1 595 . 1 . 1 152 152 VAL CA C 13 61.881 0.04 . 1 . . . . . 154 VAL CA . 50540 1 596 . 1 . 1 152 152 VAL CB C 13 32.160 0.02 . 1 . . . . . 154 VAL CB . 50540 1 597 . 1 . 1 152 152 VAL N N 15 123.051 0.01 . 1 . . . . . 154 VAL N . 50540 1 598 . 1 . 1 153 153 ALA H H 1 7.885 0.00 . 1 . . . . . 155 ALA H . 50540 1 599 . 1 . 1 153 153 ALA CA C 13 53.394 0.00 . 1 . . . . . 155 ALA CA . 50540 1 600 . 1 . 1 153 153 ALA CB C 13 19.646 0.00 . 1 . . . . . 155 ALA CB . 50540 1 601 . 1 . 1 153 153 ALA N N 15 133.210 0.01 . 1 . . . . . 155 ALA N . 50540 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50540 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name IL17aF _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 $chem_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 '2H isotope effect: backbone CA, CB.' _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 6 '2D 1H-15N TROSY' . . . 50540 2 7 '3D TROSY-HNCO' . . . 50540 2 8 '3D TROSY-HNCACB' . . . 50540 2 9 '3D TROSY-HN(CO)CACB' . . . 50540 2 10 '3D 15N/1H NOESY-HSQC' . . . 50540 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50540 2 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 . 2 . 2 1 1 ARG C C 13 175.675 0.00 . 1 . . . . . 31 ARG C . 50540 2 2 . 2 . 2 1 1 ARG CA C 13 55.779 0.00 . 1 . . . . . 31 ARG CA . 50540 2 3 . 2 . 2 1 1 ARG CB C 13 30.075 0.01 . 1 . . . . . 31 ARG CB . 50540 2 4 . 2 . 2 2 2 LYS H H 1 8.371 0.00 . 1 . . . . . 32 LYS H . 50540 2 5 . 2 . 2 2 2 LYS C C 13 176.053 0.00 . 1 . . . . . 32 LYS C . 50540 2 6 . 2 . 2 2 2 LYS CA C 13 55.648 0.04 . 1 . . . . . 32 LYS CA . 50540 2 7 . 2 . 2 2 2 LYS CB C 13 32.066 0.06 . 1 . . . . . 32 LYS CB . 50540 2 8 . 2 . 2 2 2 LYS N N 15 124.300 0.07 . 1 . . . . . 32 LYS N . 50540 2 9 . 2 . 2 3 3 ILE H H 1 8.136 0.00 . 1 . . . . . 33 ILE H . 50540 2 10 . 2 . 2 3 3 ILE CA C 13 58.145 0.00 . 1 . . . . . 33 ILE CA . 50540 2 11 . 2 . 2 3 3 ILE CB C 13 37.834 0.00 . 1 . . . . . 33 ILE CB . 50540 2 12 . 2 . 2 3 3 ILE N N 15 124.730 0.01 . 1 . . . . . 33 ILE N . 50540 2 13 . 2 . 2 4 4 PRO C C 13 176.609 0.00 . 1 . . . . . 34 PRO C . 50540 2 14 . 2 . 2 4 4 PRO CA C 13 62.522 0.03 . 1 . . . . . 34 PRO CA . 50540 2 15 . 2 . 2 4 4 PRO CB C 13 31.370 0.02 . 1 . . . . . 34 PRO CB . 50540 2 16 . 2 . 2 5 5 LYS H H 1 8.212 0.00 . 1 . . . . . 35 LYS H . 50540 2 17 . 2 . 2 5 5 LYS C C 13 176.591 0.00 . 1 . . . . . 35 LYS C . 50540 2 18 . 2 . 2 5 5 LYS CA C 13 55.933 0.01 . 1 . . . . . 35 LYS CA . 50540 2 19 . 2 . 2 5 5 LYS CB C 13 32.189 0.02 . 1 . . . . . 35 LYS CB . 50540 2 20 . 2 . 2 5 5 LYS N N 15 122.013 0.03 . 1 . . . . . 35 LYS N . 50540 2 21 . 2 . 2 6 6 VAL H H 1 7.980 0.00 . 1 . . . . . 36 VAL H . 50540 2 22 . 2 . 2 6 6 VAL C C 13 176.528 0.00 . 1 . . . . . 36 VAL C . 50540 2 23 . 2 . 2 6 6 VAL CA C 13 61.857 0.07 . 1 . . . . . 36 VAL CA . 50540 2 24 . 2 . 2 6 6 VAL CB C 13 32.154 0.05 . 1 . . . . . 36 VAL CB . 50540 2 25 . 2 . 2 6 6 VAL N N 15 121.363 0.01 . 1 . . . . . 36 VAL N . 50540 2 26 . 2 . 2 7 7 GLY H H 1 8.331 0.00 . 1 . . . . . 37 GLY H . 50540 2 27 . 2 . 2 7 7 GLY CA C 13 44.726 0.00 . 1 . . . . . 37 GLY CA . 50540 2 28 . 2 . 2 7 7 GLY N N 15 112.502 0.01 . 1 . . . . . 37 GLY N . 50540 2 29 . 2 . 2 9 9 THR C C 13 173.963 0.00 . 1 . . . . . 39 THR C . 50540 2 30 . 2 . 2 9 9 THR CA C 13 61.451 0.00 . 1 . . . . . 39 THR CA . 50540 2 31 . 2 . 2 9 9 THR CB C 13 69.415 0.01 . 1 . . . . . 39 THR CB . 50540 2 32 . 2 . 2 10 10 PHE H H 1 8.108 0.00 . 1 . . . . . 40 PHE H . 50540 2 33 . 2 . 2 10 10 PHE C C 13 175.084 0.00 . 1 . . . . . 40 PHE C . 50540 2 34 . 2 . 2 10 10 PHE CA C 13 57.260 0.03 . 1 . . . . . 40 PHE CA . 50540 2 35 . 2 . 2 10 10 PHE CB C 13 39.078 0.02 . 1 . . . . . 40 PHE CB . 50540 2 36 . 2 . 2 10 10 PHE N N 15 122.576 0.02 . 1 . . . . . 40 PHE N . 50540 2 37 . 2 . 2 11 11 PHE H H 1 7.979 0.00 . 1 . . . . . 41 PHE H . 50540 2 38 . 2 . 2 11 11 PHE C C 13 174.978 0.00 . 1 . . . . . 41 PHE C . 50540 2 39 . 2 . 2 11 11 PHE CA C 13 57.066 0.02 . 1 . . . . . 41 PHE CA . 50540 2 40 . 2 . 2 11 11 PHE CB C 13 39.111 0.05 . 1 . . . . . 41 PHE CB . 50540 2 41 . 2 . 2 11 11 PHE N N 15 121.829 0.03 . 1 . . . . . 41 PHE N . 50540 2 42 . 2 . 2 12 12 GLN H H 1 7.994 0.00 . 1 . . . . . 42 GLN H . 50540 2 43 . 2 . 2 12 12 GLN C C 13 174.979 0.00 . 1 . . . . . 42 GLN C . 50540 2 44 . 2 . 2 12 12 GLN CA C 13 54.944 0.06 . 1 . . . . . 42 GLN CA . 50540 2 45 . 2 . 2 12 12 GLN CB C 13 28.935 0.02 . 1 . . . . . 42 GLN CB . 50540 2 46 . 2 . 2 12 12 GLN N N 15 122.625 0.06 . 1 . . . . . 42 GLN N . 50540 2 47 . 2 . 2 13 13 LYS H H 1 8.172 0.00 . 1 . . . . . 43 LYS H . 50540 2 48 . 2 . 2 13 13 LYS CA C 13 53.959 0.00 . 1 . . . . . 43 LYS CA . 50540 2 49 . 2 . 2 13 13 LYS CB C 13 31.622 0.00 . 1 . . . . . 43 LYS CB . 50540 2 50 . 2 . 2 13 13 LYS N N 15 124.353 0.01 . 1 . . . . . 43 LYS N . 50540 2 51 . 2 . 2 14 14 PRO C C 13 177.129 0.00 . 1 . . . . . 44 PRO C . 50540 2 52 . 2 . 2 14 14 PRO CA C 13 62.761 0.02 . 1 . . . . . 44 PRO CA . 50540 2 53 . 2 . 2 14 14 PRO CB C 13 31.049 0.00 . 1 . . . . . 44 PRO CB . 50540 2 54 . 2 . 2 15 15 GLU H H 1 8.533 0.00 . 1 . . . . . 45 GLU H . 50540 2 55 . 2 . 2 15 15 GLU C C 13 176.624 0.00 . 1 . . . . . 45 GLU C . 50540 2 56 . 2 . 2 15 15 GLU CA C 13 56.423 0.04 . 1 . . . . . 45 GLU CA . 50540 2 57 . 2 . 2 15 15 GLU CB C 13 29.446 0.02 . 1 . . . . . 45 GLU CB . 50540 2 58 . 2 . 2 15 15 GLU N N 15 121.331 0.02 . 1 . . . . . 45 GLU N . 50540 2 59 . 2 . 2 16 16 SER H H 1 8.197 0.00 . 1 . . . . . 46 SER H . 50540 2 60 . 2 . 2 16 16 SER C C 13 174.352 0.00 . 1 . . . . . 46 SER C . 50540 2 61 . 2 . 2 16 16 SER CA C 13 58.272 0.07 . 1 . . . . . 46 SER CA . 50540 2 62 . 2 . 2 16 16 SER CB C 13 63.447 0.04 . 1 . . . . . 46 SER CB . 50540 2 63 . 2 . 2 16 16 SER N N 15 116.647 0.03 . 1 . . . . . 46 SER N . 50540 2 64 . 2 . 2 17 17 CYS H H 1 8.300 0.00 . 1 . . . . . 47 CYS H . 50540 2 65 . 2 . 2 17 17 CYS CA C 13 52.658 0.00 . 1 . . . . . 47 CYS CA . 50540 2 66 . 2 . 2 17 17 CYS CB C 13 38.201 0.00 . 1 . . . . . 47 CYS CB . 50540 2 67 . 2 . 2 17 17 CYS N N 15 121.425 0.04 . 1 . . . . . 47 CYS N . 50540 2 68 . 2 . 2 19 19 PRO C C 13 176.570 0.00 . 1 . . . . . 49 PRO C . 50540 2 69 . 2 . 2 19 19 PRO CA C 13 62.294 0.04 . 1 . . . . . 49 PRO CA . 50540 2 70 . 2 . 2 19 19 PRO CB C 13 30.261 0.00 . 1 . . . . . 49 PRO CB . 50540 2 71 . 2 . 2 20 20 VAL H H 1 7.976 0.00 . 1 . . . . . 50 VAL H . 50540 2 72 . 2 . 2 20 20 VAL CA C 13 58.746 0.00 . 1 . . . . . 50 VAL CA . 50540 2 73 . 2 . 2 20 20 VAL CB C 13 34.527 0.00 . 1 . . . . . 50 VAL CB . 50540 2 74 . 2 . 2 20 20 VAL N N 15 124.174 0.02 . 1 . . . . . 50 VAL N . 50540 2 75 . 2 . 2 21 21 PRO C C 13 176.906 0.00 . 1 . . . . . 51 PRO C . 50540 2 76 . 2 . 2 21 21 PRO CA C 13 62.365 0.05 . 1 . . . . . 51 PRO CA . 50540 2 77 . 2 . 2 21 21 PRO CB C 13 31.454 0.07 . 1 . . . . . 51 PRO CB . 50540 2 78 . 2 . 2 22 22 GLY H H 1 8.403 0.00 . 1 . . . . . 52 GLY H . 50540 2 79 . 2 . 2 22 22 GLY C C 13 175.816 0.00 . 1 . . . . . 52 GLY C . 50540 2 80 . 2 . 2 22 22 GLY CA C 13 46.385 0.01 . 1 . . . . . 52 GLY CA . 50540 2 81 . 2 . 2 22 22 GLY N N 15 108.458 0.02 . 1 . . . . . 52 GLY N . 50540 2 82 . 2 . 2 23 23 GLY H H 1 8.700 0.00 . 1 . . . . . 53 GLY H . 50540 2 83 . 2 . 2 23 23 GLY C C 13 174.263 0.00 . 1 . . . . . 53 GLY C . 50540 2 84 . 2 . 2 23 23 GLY CA C 13 45.210 0.03 . 1 . . . . . 53 GLY CA . 50540 2 85 . 2 . 2 23 23 GLY N N 15 113.246 0.02 . 1 . . . . . 53 GLY N . 50540 2 86 . 2 . 2 24 24 SER H H 1 7.818 0.00 . 1 . . . . . 54 SER H . 50540 2 87 . 2 . 2 24 24 SER C C 13 171.257 0.00 . 1 . . . . . 54 SER C . 50540 2 88 . 2 . 2 24 24 SER CA C 13 57.813 0.03 . 1 . . . . . 54 SER CA . 50540 2 89 . 2 . 2 24 24 SER CB C 13 66.216 0.07 . 1 . . . . . 54 SER CB . 50540 2 90 . 2 . 2 24 24 SER N N 15 115.916 0.03 . 1 . . . . . 54 SER N . 50540 2 91 . 2 . 2 25 25 MET H H 1 8.800 0.00 . 1 . . . . . 55 MET H . 50540 2 92 . 2 . 2 25 25 MET C C 13 173.789 0.00 . 1 . . . . . 55 MET C . 50540 2 93 . 2 . 2 25 25 MET CA C 13 53.865 0.05 . 1 . . . . . 55 MET CA . 50540 2 94 . 2 . 2 25 25 MET CB C 13 35.451 0.04 . 1 . . . . . 55 MET CB . 50540 2 95 . 2 . 2 25 25 MET N N 15 116.258 0.03 . 1 . . . . . 55 MET N . 50540 2 96 . 2 . 2 26 26 LYS H H 1 8.444 0.00 . 1 . . . . . 56 LYS H . 50540 2 97 . 2 . 2 26 26 LYS C C 13 174.444 0.00 . 1 . . . . . 56 LYS C . 50540 2 98 . 2 . 2 26 26 LYS CA C 13 55.716 0.08 . 1 . . . . . 56 LYS CA . 50540 2 99 . 2 . 2 26 26 LYS CB C 13 34.081 0.01 . 1 . . . . . 56 LYS CB . 50540 2 100 . 2 . 2 26 26 LYS N N 15 124.645 0.02 . 1 . . . . . 56 LYS N . 50540 2 101 . 2 . 2 27 27 LEU H H 1 9.211 0.00 . 1 . . . . . 57 LEU H . 50540 2 102 . 2 . 2 27 27 LEU C C 13 174.440 0.00 . 1 . . . . . 57 LEU C . 50540 2 103 . 2 . 2 27 27 LEU CA C 13 52.763 0.02 . 1 . . . . . 57 LEU CA . 50540 2 104 . 2 . 2 27 27 LEU CB C 13 44.398 0.08 . 1 . . . . . 57 LEU CB . 50540 2 105 . 2 . 2 27 27 LEU N N 15 128.199 0.02 . 1 . . . . . 57 LEU N . 50540 2 106 . 2 . 2 28 28 ASP H H 1 8.700 0.00 . 1 . . . . . 58 ASP H . 50540 2 107 . 2 . 2 28 28 ASP C C 13 176.799 0.00 . 1 . . . . . 58 ASP C . 50540 2 108 . 2 . 2 28 28 ASP CA C 13 53.036 0.08 . 1 . . . . . 58 ASP CA . 50540 2 109 . 2 . 2 28 28 ASP CB C 13 40.871 0.03 . 1 . . . . . 58 ASP CB . 50540 2 110 . 2 . 2 28 28 ASP N N 15 126.268 0.03 . 1 . . . . . 58 ASP N . 50540 2 111 . 2 . 2 29 29 ILE H H 1 8.668 0.00 . 1 . . . . . 59 ILE H . 50540 2 112 . 2 . 2 29 29 ILE CA C 13 61.049 0.01 . 1 . . . . . 59 ILE CA . 50540 2 113 . 2 . 2 29 29 ILE CB C 13 36.261 0.05 . 1 . . . . . 59 ILE CB . 50540 2 114 . 2 . 2 29 29 ILE N N 15 122.711 0.06 . 1 . . . . . 59 ILE N . 50540 2 115 . 2 . 2 30 30 GLY H H 1 8.603 0.01 . 1 . . . . . 60 GLY H . 50540 2 116 . 2 . 2 30 30 GLY C C 13 174.197 0.00 . 1 . . . . . 60 GLY C . 50540 2 117 . 2 . 2 30 30 GLY CA C 13 45.937 0.03 . 1 . . . . . 60 GLY CA . 50540 2 118 . 2 . 2 30 30 GLY N N 15 111.132 0.02 . 1 . . . . . 60 GLY N . 50540 2 119 . 2 . 2 31 31 ILE H H 1 7.986 0.00 . 1 . . . . . 61 ILE H . 50540 2 120 . 2 . 2 31 31 ILE C C 13 176.692 0.00 . 1 . . . . . 61 ILE C . 50540 2 121 . 2 . 2 31 31 ILE CA C 13 61.585 0.03 . 1 . . . . . 61 ILE CA . 50540 2 122 . 2 . 2 31 31 ILE CB C 13 37.727 0.06 . 1 . . . . . 61 ILE CB . 50540 2 123 . 2 . 2 31 31 ILE N N 15 120.661 0.04 . 1 . . . . . 61 ILE N . 50540 2 124 . 2 . 2 32 32 ILE H H 1 8.076 0.00 . 1 . . . . . 62 ILE H . 50540 2 125 . 2 . 2 32 32 ILE C C 13 176.118 0.00 . 1 . . . . . 62 ILE C . 50540 2 126 . 2 . 2 32 32 ILE CA C 13 61.879 0.06 . 1 . . . . . 62 ILE CA . 50540 2 127 . 2 . 2 32 32 ILE CB C 13 37.585 0.13 . 1 . . . . . 62 ILE CB . 50540 2 128 . 2 . 2 32 32 ILE N N 15 124.970 0.02 . 1 . . . . . 62 ILE N . 50540 2 129 . 2 . 2 33 33 ASN H H 1 8.207 0.01 . 1 . . . . . 63 ASN H . 50540 2 130 . 2 . 2 33 33 ASN C C 13 175.276 0.00 . 1 . . . . . 63 ASN C . 50540 2 131 . 2 . 2 33 33 ASN CA C 13 53.096 0.05 . 1 . . . . . 63 ASN CA . 50540 2 132 . 2 . 2 33 33 ASN CB C 13 38.175 0.01 . 1 . . . . . 63 ASN CB . 50540 2 133 . 2 . 2 33 33 ASN N N 15 121.070 0.04 . 1 . . . . . 63 ASN N . 50540 2 134 . 2 . 2 34 34 GLU H H 1 8.061 0.00 . 1 . . . . . 64 GLU H . 50540 2 135 . 2 . 2 34 34 GLU C C 13 176.212 0.00 . 1 . . . . . 64 GLU C . 50540 2 136 . 2 . 2 34 34 GLU CA C 13 56.708 0.03 . 1 . . . . . 64 GLU CA . 50540 2 137 . 2 . 2 34 34 GLU CB C 13 29.486 0.04 . 1 . . . . . 64 GLU CB . 50540 2 138 . 2 . 2 34 34 GLU N N 15 120.729 0.06 . 1 . . . . . 64 GLU N . 50540 2 139 . 2 . 2 35 35 ASN H H 1 8.357 0.00 . 1 . . . . . 65 ASN H . 50540 2 140 . 2 . 2 35 35 ASN C C 13 175.078 0.00 . 1 . . . . . 65 ASN C . 50540 2 141 . 2 . 2 35 35 ASN CA C 13 53.046 0.06 . 1 . . . . . 65 ASN CA . 50540 2 142 . 2 . 2 35 35 ASN CB C 13 38.407 0.03 . 1 . . . . . 65 ASN CB . 50540 2 143 . 2 . 2 35 35 ASN N N 15 118.588 0.02 . 1 . . . . . 65 ASN N . 50540 2 144 . 2 . 2 36 36 GLN H H 1 8.143 0.00 . 1 . . . . . 66 GLN H . 50540 2 145 . 2 . 2 36 36 GLN C C 13 175.570 0.00 . 1 . . . . . 66 GLN C . 50540 2 146 . 2 . 2 36 36 GLN CA C 13 55.438 0.01 . 1 . . . . . 66 GLN CA . 50540 2 147 . 2 . 2 36 36 GLN CB C 13 28.857 0.02 . 1 . . . . . 66 GLN CB . 50540 2 148 . 2 . 2 36 36 GLN N N 15 121.274 0.01 . 1 . . . . . 66 GLN N . 50540 2 149 . 2 . 2 37 37 ARG H H 1 8.290 0.00 . 1 . . . . . 67 ARG H . 50540 2 150 . 2 . 2 37 37 ARG C C 13 176.306 0.00 . 1 . . . . . 67 ARG C . 50540 2 151 . 2 . 2 37 37 ARG CA C 13 55.171 0.01 . 1 . . . . . 67 ARG CA . 50540 2 152 . 2 . 2 37 37 ARG CB C 13 30.466 0.02 . 1 . . . . . 67 ARG CB . 50540 2 153 . 2 . 2 37 37 ARG N N 15 123.058 0.02 . 1 . . . . . 67 ARG N . 50540 2 154 . 2 . 2 38 38 VAL H H 1 8.259 0.00 . 1 . . . . . 68 VAL H . 50540 2 155 . 2 . 2 38 38 VAL C C 13 176.139 0.00 . 1 . . . . . 68 VAL C . 50540 2 156 . 2 . 2 38 38 VAL CA C 13 61.906 0.04 . 1 . . . . . 68 VAL CA . 50540 2 157 . 2 . 2 38 38 VAL CB C 13 32.074 0.04 . 1 . . . . . 68 VAL CB . 50540 2 158 . 2 . 2 38 38 VAL N N 15 122.054 0.01 . 1 . . . . . 68 VAL N . 50540 2 159 . 2 . 2 39 39 SER H H 1 8.401 0.00 . 1 . . . . . 69 SER H . 50540 2 160 . 2 . 2 39 39 SER C C 13 174.540 0.00 . 1 . . . . . 69 SER C . 50540 2 161 . 2 . 2 39 39 SER CA C 13 57.810 0.02 . 1 . . . . . 69 SER CA . 50540 2 162 . 2 . 2 39 39 SER CB C 13 63.551 0.11 . 1 . . . . . 69 SER CB . 50540 2 163 . 2 . 2 39 39 SER N N 15 119.975 0.01 . 1 . . . . . 69 SER N . 50540 2 164 . 2 . 2 40 40 MET H H 1 8.304 0.00 . 1 . . . . . 70 MET H . 50540 2 165 . 2 . 2 40 40 MET C C 13 176.226 0.00 . 1 . . . . . 70 MET C . 50540 2 166 . 2 . 2 40 40 MET CA C 13 54.904 0.09 . 1 . . . . . 70 MET CA . 50540 2 167 . 2 . 2 40 40 MET CB C 13 32.864 0.10 . 1 . . . . . 70 MET CB . 50540 2 168 . 2 . 2 40 40 MET N N 15 123.060 0.04 . 1 . . . . . 70 MET N . 50540 2 169 . 2 . 2 41 41 SER H H 1 8.283 0.00 . 1 . . . . . 71 SER H . 50540 2 170 . 2 . 2 41 41 SER C C 13 174.933 0.00 . 1 . . . . . 71 SER C . 50540 2 171 . 2 . 2 41 41 SER CA C 13 58.470 0.09 . 1 . . . . . 71 SER CA . 50540 2 172 . 2 . 2 41 41 SER CB C 13 63.524 0.04 . 1 . . . . . 71 SER CB . 50540 2 173 . 2 . 2 41 41 SER N N 15 116.767 0.03 . 1 . . . . . 71 SER N . 50540 2 174 . 2 . 2 42 42 ARG H H 1 8.487 0.00 . 1 . . . . . 72 ARG H . 50540 2 175 . 2 . 2 42 42 ARG C C 13 176.492 0.00 . 1 . . . . . 72 ARG C . 50540 2 176 . 2 . 2 42 42 ARG CA C 13 56.150 0.06 . 1 . . . . . 72 ARG CA . 50540 2 177 . 2 . 2 42 42 ARG CB C 13 29.307 0.05 . 1 . . . . . 72 ARG CB . 50540 2 178 . 2 . 2 42 42 ARG N N 15 122.719 0.09 . 1 . . . . . 72 ARG N . 50540 2 179 . 2 . 2 43 43 ASN H H 1 8.891 0.00 . 1 . . . . . 73 ASN H . 50540 2 180 . 2 . 2 43 43 ASN C C 13 176.341 0.00 . 1 . . . . . 73 ASN C . 50540 2 181 . 2 . 2 43 43 ASN CA C 13 54.269 0.02 . 1 . . . . . 73 ASN CA . 50540 2 182 . 2 . 2 43 43 ASN CB C 13 37.165 0.04 . 1 . . . . . 73 ASN CB . 50540 2 183 . 2 . 2 43 43 ASN N N 15 117.618 0.08 . 1 . . . . . 73 ASN N . 50540 2 184 . 2 . 2 44 44 ILE H H 1 7.693 0.00 . 1 . . . . . 74 ILE H . 50540 2 185 . 2 . 2 44 44 ILE C C 13 175.292 0.00 . 1 . . . . . 74 ILE C . 50540 2 186 . 2 . 2 44 44 ILE CA C 13 64.192 0.05 . 1 . . . . . 74 ILE CA . 50540 2 187 . 2 . 2 44 44 ILE CB C 13 37.390 0.03 . 1 . . . . . 74 ILE CB . 50540 2 188 . 2 . 2 44 44 ILE N N 15 116.699 0.06 . 1 . . . . . 74 ILE N . 50540 2 189 . 2 . 2 45 45 GLU H H 1 9.021 0.00 . 1 . . . . . 75 GLU H . 50540 2 190 . 2 . 2 45 45 GLU C C 13 175.586 0.00 . 1 . . . . . 75 GLU C . 50540 2 191 . 2 . 2 45 45 GLU CA C 13 57.535 0.02 . 1 . . . . . 75 GLU CA . 50540 2 192 . 2 . 2 45 45 GLU CB C 13 24.510 0.00 . 1 . . . . . 75 GLU CB . 50540 2 193 . 2 . 2 45 45 GLU N N 15 120.133 0.04 . 1 . . . . . 75 GLU N . 50540 2 194 . 2 . 2 46 46 SER H H 1 6.944 0.01 . 1 . . . . . 76 SER H . 50540 2 195 . 2 . 2 46 46 SER C C 13 175.578 0.00 . 1 . . . . . 76 SER C . 50540 2 196 . 2 . 2 46 46 SER CA C 13 58.112 0.00 . 1 . . . . . 76 SER CA . 50540 2 197 . 2 . 2 46 46 SER CB C 13 63.747 0.06 . 1 . . . . . 76 SER CB . 50540 2 198 . 2 . 2 46 46 SER N N 15 110.793 0.06 . 1 . . . . . 76 SER N . 50540 2 199 . 2 . 2 47 47 ARG H H 1 7.375 0.01 . 1 . . . . . 77 ARG H . 50540 2 200 . 2 . 2 47 47 ARG C C 13 175.982 0.00 . 1 . . . . . 77 ARG C . 50540 2 201 . 2 . 2 47 47 ARG CA C 13 55.901 0.04 . 1 . . . . . 77 ARG CA . 50540 2 202 . 2 . 2 47 47 ARG CB C 13 30.803 0.00 . 1 . . . . . 77 ARG CB . 50540 2 203 . 2 . 2 47 47 ARG N N 15 120.657 0.03 . 1 . . . . . 77 ARG N . 50540 2 204 . 2 . 2 48 48 SER H H 1 6.741 0.01 . 1 . . . . . 78 SER H . 50540 2 205 . 2 . 2 48 48 SER C C 13 175.838 0.00 . 1 . . . . . 78 SER C . 50540 2 206 . 2 . 2 48 48 SER CA C 13 56.112 0.05 . 1 . . . . . 78 SER CA . 50540 2 207 . 2 . 2 48 48 SER CB C 13 62.862 0.15 . 1 . . . . . 78 SER CB . 50540 2 208 . 2 . 2 48 48 SER N N 15 112.219 0.06 . 1 . . . . . 78 SER N . 50540 2 209 . 2 . 2 49 49 THR H H 1 9.011 0.00 . 1 . . . . . 79 THR H . 50540 2 210 . 2 . 2 49 49 THR C C 13 173.963 0.00 . 1 . . . . . 79 THR C . 50540 2 211 . 2 . 2 49 49 THR CA C 13 62.629 0.12 . 1 . . . . . 79 THR CA . 50540 2 212 . 2 . 2 49 49 THR CB C 13 69.302 0.00 . 1 . . . . . 79 THR CB . 50540 2 213 . 2 . 2 49 49 THR N N 15 116.697 0.02 . 1 . . . . . 79 THR N . 50540 2 214 . 2 . 2 50 50 SER H H 1 8.997 0.00 . 1 . . . . . 80 SER H . 50540 2 215 . 2 . 2 50 50 SER CA C 13 52.673 0.00 . 1 . . . . . 80 SER CA . 50540 2 216 . 2 . 2 50 50 SER N N 15 115.839 0.04 . 1 . . . . . 80 SER N . 50540 2 217 . 2 . 2 51 51 PRO C C 13 176.497 0.00 . 1 . . . . . 81 PRO C . 50540 2 218 . 2 . 2 51 51 PRO CA C 13 63.536 0.05 . 1 . . . . . 81 PRO CA . 50540 2 219 . 2 . 2 51 51 PRO CB C 13 33.425 0.03 . 1 . . . . . 81 PRO CB . 50540 2 220 . 2 . 2 52 52 TRP H H 1 8.132 0.01 . 1 . . . . . 82 TRP H . 50540 2 221 . 2 . 2 52 52 TRP C C 13 172.375 0.00 . 1 . . . . . 82 TRP C . 50540 2 222 . 2 . 2 52 52 TRP CA C 13 56.503 0.04 . 1 . . . . . 82 TRP CA . 50540 2 223 . 2 . 2 52 52 TRP CB C 13 32.760 0.07 . 1 . . . . . 82 TRP CB . 50540 2 224 . 2 . 2 52 52 TRP N N 15 116.888 0.10 . 1 . . . . . 82 TRP N . 50540 2 225 . 2 . 2 53 53 ASN H H 1 8.329 0.00 . 1 . . . . . 83 ASN H . 50540 2 226 . 2 . 2 53 53 ASN C C 13 174.514 0.00 . 1 . . . . . 83 ASN C . 50540 2 227 . 2 . 2 53 53 ASN CA C 13 50.635 0.04 . 1 . . . . . 83 ASN CA . 50540 2 228 . 2 . 2 53 53 ASN CB C 13 41.125 0.04 . 1 . . . . . 83 ASN CB . 50540 2 229 . 2 . 2 53 53 ASN N N 15 116.008 0.05 . 1 . . . . . 83 ASN N . 50540 2 230 . 2 . 2 54 54 TYR H H 1 8.675 0.00 . 1 . . . . . 84 TYR H . 50540 2 231 . 2 . 2 54 54 TYR C C 13 176.435 0.00 . 1 . . . . . 84 TYR C . 50540 2 232 . 2 . 2 54 54 TYR CA C 13 57.329 0.01 . 1 . . . . . 84 TYR CA . 50540 2 233 . 2 . 2 54 54 TYR CB C 13 40.905 0.03 . 1 . . . . . 84 TYR CB . 50540 2 234 . 2 . 2 54 54 TYR N N 15 117.251 0.05 . 1 . . . . . 84 TYR N . 50540 2 235 . 2 . 2 55 55 THR H H 1 9.215 0.00 . 1 . . . . . 85 THR H . 50540 2 236 . 2 . 2 55 55 THR C C 13 172.959 0.00 . 1 . . . . . 85 THR C . 50540 2 237 . 2 . 2 55 55 THR CA C 13 60.568 0.02 . 1 . . . . . 85 THR CA . 50540 2 238 . 2 . 2 55 55 THR CB C 13 71.023 0.11 . 1 . . . . . 85 THR CB . 50540 2 239 . 2 . 2 55 55 THR N N 15 116.773 0.04 . 1 . . . . . 85 THR N . 50540 2 240 . 2 . 2 56 56 VAL H H 1 8.660 0.00 . 1 . . . . . 86 VAL H . 50540 2 241 . 2 . 2 56 56 VAL C C 13 175.863 0.00 . 1 . . . . . 86 VAL C . 50540 2 242 . 2 . 2 56 56 VAL CA C 13 61.914 0.05 . 1 . . . . . 86 VAL CA . 50540 2 243 . 2 . 2 56 56 VAL CB C 13 32.591 0.18 . 1 . . . . . 86 VAL CB . 50540 2 244 . 2 . 2 56 56 VAL N N 15 125.057 0.07 . 1 . . . . . 86 VAL N . 50540 2 245 . 2 . 2 57 57 THR H H 1 8.140 0.01 . 1 . . . . . 87 THR H . 50540 2 246 . 2 . 2 57 57 THR C C 13 172.734 0.00 . 1 . . . . . 87 THR C . 50540 2 247 . 2 . 2 57 57 THR CA C 13 59.749 0.01 . 1 . . . . . 87 THR CA . 50540 2 248 . 2 . 2 57 57 THR CB C 13 71.312 0.16 . 1 . . . . . 87 THR CB . 50540 2 249 . 2 . 2 57 57 THR N N 15 118.663 0.05 . 1 . . . . . 87 THR N . 50540 2 250 . 2 . 2 58 58 TRP H H 1 8.673 0.00 . 1 . . . . . 88 TRP H . 50540 2 251 . 2 . 2 58 58 TRP C C 13 175.025 0.00 . 1 . . . . . 88 TRP C . 50540 2 252 . 2 . 2 58 58 TRP CA C 13 56.472 0.03 . 1 . . . . . 88 TRP CA . 50540 2 253 . 2 . 2 58 58 TRP CB C 13 31.461 0.11 . 1 . . . . . 88 TRP CB . 50540 2 254 . 2 . 2 58 58 TRP N N 15 123.933 0.03 . 1 . . . . . 88 TRP N . 50540 2 255 . 2 . 2 59 59 ASP H H 1 7.867 0.00 . 1 . . . . . 89 ASP H . 50540 2 256 . 2 . 2 59 59 ASP CA C 13 49.707 0.00 . 1 . . . . . 89 ASP CA . 50540 2 257 . 2 . 2 59 59 ASP CB C 13 42.563 0.00 . 1 . . . . . 89 ASP CB . 50540 2 258 . 2 . 2 59 59 ASP N N 15 126.413 0.07 . 1 . . . . . 89 ASP N . 50540 2 259 . 2 . 2 60 60 PRO C C 13 177.408 0.00 . 1 . . . . . 90 PRO C . 50540 2 260 . 2 . 2 60 60 PRO CA C 13 62.966 0.02 . 1 . . . . . 90 PRO CA . 50540 2 261 . 2 . 2 60 60 PRO CB C 13 31.325 0.00 . 1 . . . . . 90 PRO CB . 50540 2 262 . 2 . 2 61 61 ASN H H 1 8.478 0.00 . 1 . . . . . 91 ASN H . 50540 2 263 . 2 . 2 61 61 ASN C C 13 171.736 0.00 . 1 . . . . . 91 ASN C . 50540 2 264 . 2 . 2 61 61 ASN CA C 13 52.997 0.05 . 1 . . . . . 91 ASN CA . 50540 2 265 . 2 . 2 61 61 ASN CB C 13 38.588 0.00 . 1 . . . . . 91 ASN CB . 50540 2 266 . 2 . 2 61 61 ASN N N 15 117.319 0.02 . 1 . . . . . 91 ASN N . 50540 2 267 . 2 . 2 62 62 ARG H H 1 7.668 0.00 . 1 . . . . . 92 ARG H . 50540 2 268 . 2 . 2 62 62 ARG C C 13 172.597 0.00 . 1 . . . . . 92 ARG C . 50540 2 269 . 2 . 2 62 62 ARG CA C 13 53.510 0.01 . 1 . . . . . 92 ARG CA . 50540 2 270 . 2 . 2 62 62 ARG CB C 13 34.257 0.01 . 1 . . . . . 92 ARG CB . 50540 2 271 . 2 . 2 62 62 ARG N N 15 122.970 0.03 . 1 . . . . . 92 ARG N . 50540 2 272 . 2 . 2 63 63 TYR H H 1 8.989 0.00 . 1 . . . . . 93 TYR H . 50540 2 273 . 2 . 2 63 63 TYR CA C 13 53.978 0.00 . 1 . . . . . 93 TYR CA . 50540 2 274 . 2 . 2 63 63 TYR CB C 13 39.943 0.00 . 1 . . . . . 93 TYR CB . 50540 2 275 . 2 . 2 63 63 TYR N N 15 124.672 0.02 . 1 . . . . . 93 TYR N . 50540 2 276 . 2 . 2 64 64 PRO C C 13 176.290 0.00 . 1 . . . . . 94 PRO C . 50540 2 277 . 2 . 2 64 64 PRO CA C 13 61.939 0.01 . 1 . . . . . 94 PRO CA . 50540 2 278 . 2 . 2 64 64 PRO CB C 13 32.967 0.00 . 1 . . . . . 94 PRO CB . 50540 2 279 . 2 . 2 65 65 SER H H 1 8.575 0.00 . 1 . . . . . 95 SER H . 50540 2 280 . 2 . 2 65 65 SER C C 13 176.379 0.00 . 1 . . . . . 95 SER C . 50540 2 281 . 2 . 2 65 65 SER CA C 13 60.440 0.07 . 1 . . . . . 95 SER CA . 50540 2 282 . 2 . 2 65 65 SER CB C 13 62.712 0.21 . 1 . . . . . 95 SER CB . 50540 2 283 . 2 . 2 65 65 SER N N 15 119.695 0.02 . 1 . . . . . 95 SER N . 50540 2 284 . 2 . 2 66 66 GLU H H 1 8.075 0.00 . 1 . . . . . 96 GLU H . 50540 2 285 . 2 . 2 66 66 GLU C C 13 175.285 0.00 . 1 . . . . . 96 GLU C . 50540 2 286 . 2 . 2 66 66 GLU CA C 13 54.863 0.00 . 1 . . . . . 96 GLU CA . 50540 2 287 . 2 . 2 66 66 GLU CB C 13 30.334 0.06 . 1 . . . . . 96 GLU CB . 50540 2 288 . 2 . 2 66 66 GLU N N 15 123.431 0.03 . 1 . . . . . 96 GLU N . 50540 2 289 . 2 . 2 67 67 VAL H H 1 8.142 0.00 . 1 . . . . . 97 VAL H . 50540 2 290 . 2 . 2 67 67 VAL C C 13 175.727 0.00 . 1 . . . . . 97 VAL C . 50540 2 291 . 2 . 2 67 67 VAL CA C 13 61.516 0.06 . 1 . . . . . 97 VAL CA . 50540 2 292 . 2 . 2 67 67 VAL CB C 13 33.917 0.06 . 1 . . . . . 97 VAL CB . 50540 2 293 . 2 . 2 67 67 VAL N N 15 124.336 0.12 . 1 . . . . . 97 VAL N . 50540 2 294 . 2 . 2 68 68 VAL H H 1 8.663 0.01 . 1 . . . . . 98 VAL H . 50540 2 295 . 2 . 2 68 68 VAL C C 13 175.715 0.00 . 1 . . . . . 98 VAL C . 50540 2 296 . 2 . 2 68 68 VAL CA C 13 61.832 0.05 . 1 . . . . . 98 VAL CA . 50540 2 297 . 2 . 2 68 68 VAL CB C 13 31.817 0.04 . 1 . . . . . 98 VAL CB . 50540 2 298 . 2 . 2 68 68 VAL N N 15 131.027 0.04 . 1 . . . . . 98 VAL N . 50540 2 299 . 2 . 2 69 69 GLN H H 1 8.843 0.01 . 1 . . . . . 99 GLN H . 50540 2 300 . 2 . 2 69 69 GLN C C 13 175.281 0.00 . 1 . . . . . 99 GLN C . 50540 2 301 . 2 . 2 69 69 GLN CA C 13 54.246 0.08 . 1 . . . . . 99 GLN CA . 50540 2 302 . 2 . 2 69 69 GLN CB C 13 30.475 0.03 . 1 . . . . . 99 GLN CB . 50540 2 303 . 2 . 2 69 69 GLN N N 15 125.819 0.03 . 1 . . . . . 99 GLN N . 50540 2 304 . 2 . 2 70 70 ALA H H 1 7.955 0.01 . 1 . . . . . 100 ALA H . 50540 2 305 . 2 . 2 70 70 ALA C C 13 176.498 0.00 . 1 . . . . . 100 ALA C . 50540 2 306 . 2 . 2 70 70 ALA CA C 13 49.980 0.00 . 1 . . . . . 100 ALA CA . 50540 2 307 . 2 . 2 70 70 ALA CB C 13 20.658 0.03 . 1 . . . . . 100 ALA CB . 50540 2 308 . 2 . 2 70 70 ALA N N 15 124.334 0.09 . 1 . . . . . 100 ALA N . 50540 2 309 . 2 . 2 71 71 GLN H H 1 8.243 0.01 . 1 . . . . . 101 GLN H . 50540 2 310 . 2 . 2 71 71 GLN C C 13 175.639 0.00 . 1 . . . . . 101 GLN C . 50540 2 311 . 2 . 2 71 71 GLN CA C 13 54.014 0.02 . 1 . . . . . 101 GLN CA . 50540 2 312 . 2 . 2 71 71 GLN CB C 13 31.007 0.03 . 1 . . . . . 101 GLN CB . 50540 2 313 . 2 . 2 71 71 GLN N N 15 116.085 0.04 . 1 . . . . . 101 GLN N . 50540 2 314 . 2 . 2 72 72 CYS H H 1 8.912 0.00 . 1 . . . . . 102 CYS H . 50540 2 315 . 2 . 2 72 72 CYS C C 13 175.803 0.00 . 1 . . . . . 102 CYS C . 50540 2 316 . 2 . 2 72 72 CYS CA C 13 54.783 0.03 . 1 . . . . . 102 CYS CA . 50540 2 317 . 2 . 2 72 72 CYS CB C 13 36.507 0.03 . 1 . . . . . 102 CYS CB . 50540 2 318 . 2 . 2 72 72 CYS N N 15 123.506 0.04 . 1 . . . . . 102 CYS N . 50540 2 319 . 2 . 2 73 73 ARG H H 1 8.624 0.00 . 1 . . . . . 103 ARG H . 50540 2 320 . 2 . 2 73 73 ARG C C 13 175.915 0.00 . 1 . . . . . 103 ARG C . 50540 2 321 . 2 . 2 73 73 ARG CA C 13 58.436 0.05 . 1 . . . . . 103 ARG CA . 50540 2 322 . 2 . 2 73 73 ARG CB C 13 31.237 0.05 . 1 . . . . . 103 ARG CB . 50540 2 323 . 2 . 2 73 73 ARG N N 15 123.942 0.08 . 1 . . . . . 103 ARG N . 50540 2 324 . 2 . 2 74 74 ASN H H 1 8.968 0.00 . 1 . . . . . 104 ASN H . 50540 2 325 . 2 . 2 74 74 ASN C C 13 174.042 0.00 . 1 . . . . . 104 ASN C . 50540 2 326 . 2 . 2 74 74 ASN CA C 13 51.751 0.01 . 1 . . . . . 104 ASN CA . 50540 2 327 . 2 . 2 74 74 ASN CB C 13 41.405 0.04 . 1 . . . . . 104 ASN CB . 50540 2 328 . 2 . 2 74 74 ASN N N 15 116.847 0.06 . 1 . . . . . 104 ASN N . 50540 2 329 . 2 . 2 75 75 LEU H H 1 8.245 0.00 . 1 . . . . . 105 LEU H . 50540 2 330 . 2 . 2 75 75 LEU C C 13 180.748 0.00 . 1 . . . . . 105 LEU C . 50540 2 331 . 2 . 2 75 75 LEU CA C 13 56.988 0.01 . 1 . . . . . 105 LEU CA . 50540 2 332 . 2 . 2 75 75 LEU CB C 13 41.582 0.08 . 1 . . . . . 105 LEU CB . 50540 2 333 . 2 . 2 75 75 LEU N N 15 121.015 0.06 . 1 . . . . . 105 LEU N . 50540 2 334 . 2 . 2 76 76 GLY H H 1 8.986 0.00 . 1 . . . . . 106 GLY H . 50540 2 335 . 2 . 2 76 76 GLY C C 13 173.539 0.00 . 1 . . . . . 106 GLY C . 50540 2 336 . 2 . 2 76 76 GLY CA C 13 43.825 0.07 . 1 . . . . . 106 GLY CA . 50540 2 337 . 2 . 2 76 76 GLY N N 15 108.774 0.03 . 1 . . . . . 106 GLY N . 50540 2 338 . 2 . 2 77 77 CYS H H 1 7.350 0.01 . 1 . . . . . 107 CYS H . 50540 2 339 . 2 . 2 77 77 CYS C C 13 172.515 0.00 . 1 . . . . . 107 CYS C . 50540 2 340 . 2 . 2 77 77 CYS CA C 13 53.001 0.02 . 1 . . . . . 107 CYS CA . 50540 2 341 . 2 . 2 77 77 CYS CB C 13 44.444 0.21 . 1 . . . . . 107 CYS CB . 50540 2 342 . 2 . 2 77 77 CYS N N 15 115.173 0.04 . 1 . . . . . 107 CYS N . 50540 2 343 . 2 . 2 78 78 ILE H H 1 9.780 0.01 . 1 . . . . . 108 ILE H . 50540 2 344 . 2 . 2 78 78 ILE C C 13 176.413 0.00 . 1 . . . . . 108 ILE C . 50540 2 345 . 2 . 2 78 78 ILE CA C 13 58.818 0.05 . 1 . . . . . 108 ILE CA . 50540 2 346 . 2 . 2 78 78 ILE CB C 13 36.459 0.01 . 1 . . . . . 108 ILE CB . 50540 2 347 . 2 . 2 78 78 ILE N N 15 123.909 0.05 . 1 . . . . . 108 ILE N . 50540 2 348 . 2 . 2 79 79 ASN H H 1 8.515 0.00 . 1 . . . . . 109 ASN H . 50540 2 349 . 2 . 2 79 79 ASN C C 13 177.662 0.00 . 1 . . . . . 109 ASN C . 50540 2 350 . 2 . 2 79 79 ASN CA C 13 50.736 0.01 . 1 . . . . . 109 ASN CA . 50540 2 351 . 2 . 2 79 79 ASN CB C 13 38.941 0.03 . 1 . . . . . 109 ASN CB . 50540 2 352 . 2 . 2 79 79 ASN N N 15 125.127 0.07 . 1 . . . . . 109 ASN N . 50540 2 353 . 2 . 2 80 80 ALA H H 1 8.355 0.01 . 1 . . . . . 110 ALA H . 50540 2 354 . 2 . 2 80 80 ALA C C 13 178.664 0.00 . 1 . . . . . 110 ALA C . 50540 2 355 . 2 . 2 80 80 ALA CA C 13 54.235 0.04 . 1 . . . . . 110 ALA CA . 50540 2 356 . 2 . 2 80 80 ALA CB C 13 17.844 0.06 . 1 . . . . . 110 ALA CB . 50540 2 357 . 2 . 2 80 80 ALA N N 15 119.883 0.02 . 1 . . . . . 110 ALA N . 50540 2 358 . 2 . 2 81 81 GLN H H 1 7.562 0.01 . 1 . . . . . 111 GLN H . 50540 2 359 . 2 . 2 81 81 GLN C C 13 176.361 0.00 . 1 . . . . . 111 GLN C . 50540 2 360 . 2 . 2 81 81 GLN CA C 13 55.424 0.00 . 1 . . . . . 111 GLN CA . 50540 2 361 . 2 . 2 81 81 GLN CB C 13 28.092 0.02 . 1 . . . . . 111 GLN CB . 50540 2 362 . 2 . 2 81 81 GLN N N 15 114.732 0.06 . 1 . . . . . 111 GLN N . 50540 2 363 . 2 . 2 82 82 GLY H H 1 8.169 0.00 . 1 . . . . . 112 GLY H . 50540 2 364 . 2 . 2 82 82 GLY C C 13 173.970 0.00 . 1 . . . . . 112 GLY C . 50540 2 365 . 2 . 2 82 82 GLY CA C 13 45.227 0.01 . 1 . . . . . 112 GLY CA . 50540 2 366 . 2 . 2 82 82 GLY N N 15 108.067 0.06 . 1 . . . . . 112 GLY N . 50540 2 367 . 2 . 2 83 83 LYS H H 1 7.599 0.01 . 1 . . . . . 113 LYS H . 50540 2 368 . 2 . 2 83 83 LYS C C 13 175.078 0.00 . 1 . . . . . 113 LYS C . 50540 2 369 . 2 . 2 83 83 LYS CA C 13 53.609 0.04 . 1 . . . . . 113 LYS CA . 50540 2 370 . 2 . 2 83 83 LYS CB C 13 33.214 0.01 . 1 . . . . . 113 LYS CB . 50540 2 371 . 2 . 2 83 83 LYS N N 15 120.516 0.04 . 1 . . . . . 113 LYS N . 50540 2 372 . 2 . 2 84 84 GLU H H 1 8.494 0.01 . 1 . . . . . 114 GLU H . 50540 2 373 . 2 . 2 84 84 GLU C C 13 175.066 0.00 . 1 . . . . . 114 GLU C . 50540 2 374 . 2 . 2 84 84 GLU CA C 13 56.366 0.04 . 1 . . . . . 114 GLU CA . 50540 2 375 . 2 . 2 84 84 GLU CB C 13 29.374 0.04 . 1 . . . . . 114 GLU CB . 50540 2 376 . 2 . 2 84 84 GLU N N 15 123.249 0.06 . 1 . . . . . 114 GLU N . 50540 2 377 . 2 . 2 85 85 ASP H H 1 9.242 0.00 . 1 . . . . . 115 ASP H . 50540 2 378 . 2 . 2 85 85 ASP C C 13 177.213 0.00 . 1 . . . . . 115 ASP C . 50540 2 379 . 2 . 2 85 85 ASP CA C 13 52.198 0.06 . 1 . . . . . 115 ASP CA . 50540 2 380 . 2 . 2 85 85 ASP CB C 13 41.240 0.01 . 1 . . . . . 115 ASP CB . 50540 2 381 . 2 . 2 85 85 ASP N N 15 129.729 0.02 . 1 . . . . . 115 ASP N . 50540 2 382 . 2 . 2 86 86 ILE H H 1 8.141 0.00 . 1 . . . . . 116 ILE H . 50540 2 383 . 2 . 2 86 86 ILE C C 13 176.824 0.00 . 1 . . . . . 116 ILE C . 50540 2 384 . 2 . 2 86 86 ILE CA C 13 61.343 0.02 . 1 . . . . . 116 ILE CA . 50540 2 385 . 2 . 2 86 86 ILE CB C 13 36.723 0.09 . 1 . . . . . 116 ILE CB . 50540 2 386 . 2 . 2 86 86 ILE N N 15 118.376 0.03 . 1 . . . . . 116 ILE N . 50540 2 387 . 2 . 2 87 87 SER H H 1 8.842 0.00 . 1 . . . . . 117 SER H . 50540 2 388 . 2 . 2 87 87 SER C C 13 173.495 0.00 . 1 . . . . . 117 SER C . 50540 2 389 . 2 . 2 87 87 SER CA C 13 60.034 0.03 . 1 . . . . . 117 SER CA . 50540 2 390 . 2 . 2 87 87 SER CB C 13 62.840 0.05 . 1 . . . . . 117 SER CB . 50540 2 391 . 2 . 2 87 87 SER N N 15 119.367 0.04 . 1 . . . . . 117 SER N . 50540 2 392 . 2 . 2 88 88 MET H H 1 7.167 0.00 . 1 . . . . . 118 MET H . 50540 2 393 . 2 . 2 88 88 MET C C 13 173.778 0.00 . 1 . . . . . 118 MET C . 50540 2 394 . 2 . 2 88 88 MET CA C 13 53.532 0.02 . 1 . . . . . 118 MET CA . 50540 2 395 . 2 . 2 88 88 MET CB C 13 34.780 0.04 . 1 . . . . . 118 MET CB . 50540 2 396 . 2 . 2 88 88 MET N N 15 120.028 0.04 . 1 . . . . . 118 MET N . 50540 2 397 . 2 . 2 89 89 ASN H H 1 8.498 0.00 . 1 . . . . . 119 ASN H . 50540 2 398 . 2 . 2 89 89 ASN C C 13 175.336 0.00 . 1 . . . . . 119 ASN C . 50540 2 399 . 2 . 2 89 89 ASN CA C 13 51.801 0.01 . 1 . . . . . 119 ASN CA . 50540 2 400 . 2 . 2 89 89 ASN CB C 13 42.492 0.02 . 1 . . . . . 119 ASN CB . 50540 2 401 . 2 . 2 89 89 ASN N N 15 114.081 0.02 . 1 . . . . . 119 ASN N . 50540 2 402 . 2 . 2 90 90 SER H H 1 7.916 0.00 . 1 . . . . . 120 SER H . 50540 2 403 . 2 . 2 90 90 SER C C 13 174.504 0.00 . 1 . . . . . 120 SER C . 50540 2 404 . 2 . 2 90 90 SER CA C 13 59.325 0.07 . 1 . . . . . 120 SER CA . 50540 2 405 . 2 . 2 90 90 SER CB C 13 64.247 0.14 . 1 . . . . . 120 SER CB . 50540 2 406 . 2 . 2 90 90 SER N N 15 120.160 0.02 . 1 . . . . . 120 SER N . 50540 2 407 . 2 . 2 91 91 VAL H H 1 9.187 0.00 . 1 . . . . . 121 VAL H . 50540 2 408 . 2 . 2 91 91 VAL CA C 13 56.866 0.00 . 1 . . . . . 121 VAL CA . 50540 2 409 . 2 . 2 91 91 VAL CB C 13 33.294 0.00 . 1 . . . . . 121 VAL CB . 50540 2 410 . 2 . 2 91 91 VAL N N 15 120.497 0.02 . 1 . . . . . 121 VAL N . 50540 2 411 . 2 . 2 92 92 PRO C C 13 175.962 0.00 . 1 . . . . . 122 PRO C . 50540 2 412 . 2 . 2 92 92 PRO CA C 13 61.431 0.01 . 1 . . . . . 122 PRO CA . 50540 2 413 . 2 . 2 92 92 PRO CB C 13 32.781 0.01 . 1 . . . . . 122 PRO CB . 50540 2 414 . 2 . 2 93 93 ILE H H 1 8.213 0.00 . 1 . . . . . 123 ILE H . 50540 2 415 . 2 . 2 93 93 ILE C C 13 175.413 0.00 . 1 . . . . . 123 ILE C . 50540 2 416 . 2 . 2 93 93 ILE CA C 13 59.048 0.06 . 1 . . . . . 123 ILE CA . 50540 2 417 . 2 . 2 93 93 ILE CB C 13 37.696 0.05 . 1 . . . . . 123 ILE CB . 50540 2 418 . 2 . 2 93 93 ILE N N 15 119.897 0.02 . 1 . . . . . 123 ILE N . 50540 2 419 . 2 . 2 94 94 GLN H H 1 8.513 0.01 . 1 . . . . . 124 GLN H . 50540 2 420 . 2 . 2 94 94 GLN C C 13 174.450 0.00 . 1 . . . . . 124 GLN C . 50540 2 421 . 2 . 2 94 94 GLN CA C 13 53.764 0.01 . 1 . . . . . 124 GLN CA . 50540 2 422 . 2 . 2 94 94 GLN CB C 13 32.435 0.02 . 1 . . . . . 124 GLN CB . 50540 2 423 . 2 . 2 94 94 GLN N N 15 124.316 0.06 . 1 . . . . . 124 GLN N . 50540 2 424 . 2 . 2 95 95 GLN H H 1 8.933 0.00 . 1 . . . . . 125 GLN H . 50540 2 425 . 2 . 2 95 95 GLN C C 13 174.396 0.00 . 1 . . . . . 125 GLN C . 50540 2 426 . 2 . 2 95 95 GLN CA C 13 53.488 0.02 . 1 . . . . . 125 GLN CA . 50540 2 427 . 2 . 2 95 95 GLN CB C 13 32.212 0.02 . 1 . . . . . 125 GLN CB . 50540 2 428 . 2 . 2 95 95 GLN N N 15 121.298 0.03 . 1 . . . . . 125 GLN N . 50540 2 429 . 2 . 2 96 96 GLU H H 1 8.707 0.00 . 1 . . . . . 126 GLU H . 50540 2 430 . 2 . 2 96 96 GLU C C 13 175.955 0.00 . 1 . . . . . 126 GLU C . 50540 2 431 . 2 . 2 96 96 GLU CA C 13 56.159 0.01 . 1 . . . . . 126 GLU CA . 50540 2 432 . 2 . 2 96 96 GLU CB C 13 30.736 0.01 . 1 . . . . . 126 GLU CB . 50540 2 433 . 2 . 2 96 96 GLU N N 15 127.107 0.02 . 1 . . . . . 126 GLU N . 50540 2 434 . 2 . 2 97 97 THR H H 1 8.889 0.00 . 1 . . . . . 127 THR H . 50540 2 435 . 2 . 2 97 97 THR C C 13 171.747 0.00 . 1 . . . . . 127 THR C . 50540 2 436 . 2 . 2 97 97 THR CA C 13 59.047 0.04 . 1 . . . . . 127 THR CA . 50540 2 437 . 2 . 2 97 97 THR CB C 13 70.940 0.07 . 1 . . . . . 127 THR CB . 50540 2 438 . 2 . 2 97 97 THR N N 15 117.848 0.04 . 1 . . . . . 127 THR N . 50540 2 439 . 2 . 2 98 98 LEU H H 1 7.611 0.01 . 1 . . . . . 128 LEU H . 50540 2 440 . 2 . 2 98 98 LEU CA C 13 54.379 0.01 . 1 . . . . . 128 LEU CA . 50540 2 441 . 2 . 2 98 98 LEU CB C 13 43.287 0.02 . 1 . . . . . 128 LEU CB . 50540 2 442 . 2 . 2 98 98 LEU N N 15 125.188 0.07 . 1 . . . . . 128 LEU N . 50540 2 443 . 2 . 2 99 99 VAL H H 1 8.612 0.01 . 1 . . . . . 129 VAL H . 50540 2 444 . 2 . 2 99 99 VAL C C 13 174.154 0.00 . 1 . . . . . 129 VAL C . 50540 2 445 . 2 . 2 99 99 VAL CA C 13 58.858 0.06 . 1 . . . . . 129 VAL CA . 50540 2 446 . 2 . 2 99 99 VAL CB C 13 34.634 0.02 . 1 . . . . . 129 VAL CB . 50540 2 447 . 2 . 2 99 99 VAL N N 15 111.194 0.03 . 1 . . . . . 129 VAL N . 50540 2 448 . 2 . 2 100 100 VAL H H 1 8.966 0.00 . 1 . . . . . 130 VAL H . 50540 2 449 . 2 . 2 100 100 VAL C C 13 174.764 0.00 . 1 . . . . . 130 VAL C . 50540 2 450 . 2 . 2 100 100 VAL CA C 13 60.344 0.01 . 1 . . . . . 130 VAL CA . 50540 2 451 . 2 . 2 100 100 VAL CB C 13 32.493 0.01 . 1 . . . . . 130 VAL CB . 50540 2 452 . 2 . 2 100 100 VAL N N 15 120.047 0.06 . 1 . . . . . 130 VAL N . 50540 2 453 . 2 . 2 101 101 ARG H H 1 9.416 0.01 . 1 . . . . . 131 ARG H . 50540 2 454 . 2 . 2 101 101 ARG C C 13 174.699 0.00 . 1 . . . . . 131 ARG C . 50540 2 455 . 2 . 2 101 101 ARG CA C 13 53.795 0.00 . 1 . . . . . 131 ARG CA . 50540 2 456 . 2 . 2 101 101 ARG CB C 13 32.035 0.08 . 1 . . . . . 131 ARG CB . 50540 2 457 . 2 . 2 101 101 ARG N N 15 126.365 0.05 . 1 . . . . . 131 ARG N . 50540 2 458 . 2 . 2 102 102 ARG H H 1 8.828 0.01 . 1 . . . . . 132 ARG H . 50540 2 459 . 2 . 2 102 102 ARG C C 13 174.170 0.00 . 1 . . . . . 132 ARG C . 50540 2 460 . 2 . 2 102 102 ARG CA C 13 53.990 0.02 . 1 . . . . . 132 ARG CA . 50540 2 461 . 2 . 2 102 102 ARG CB C 13 31.911 0.09 . 1 . . . . . 132 ARG CB . 50540 2 462 . 2 . 2 102 102 ARG N N 15 125.808 0.05 . 1 . . . . . 132 ARG N . 50540 2 463 . 2 . 2 103 103 LYS H H 1 8.605 0.00 . 1 . . . . . 133 LYS H . 50540 2 464 . 2 . 2 103 103 LYS CA C 13 54.046 0.00 . 1 . . . . . 133 LYS CA . 50540 2 465 . 2 . 2 103 103 LYS CB C 13 33.639 0.02 . 1 . . . . . 133 LYS CB . 50540 2 466 . 2 . 2 103 103 LYS N N 15 126.313 0.01 . 1 . . . . . 133 LYS N . 50540 2 467 . 2 . 2 104 104 HIS H H 1 8.439 0.00 . 1 . . . . . 134 HIS H . 50540 2 468 . 2 . 2 104 104 HIS C C 13 175.030 0.00 . 1 . . . . . 134 HIS C . 50540 2 469 . 2 . 2 104 104 HIS CA C 13 55.329 0.05 . 1 . . . . . 134 HIS CA . 50540 2 470 . 2 . 2 104 104 HIS CB C 13 30.939 0.02 . 1 . . . . . 134 HIS CB . 50540 2 471 . 2 . 2 104 104 HIS N N 15 121.494 0.05 . 1 . . . . . 134 HIS N . 50540 2 472 . 2 . 2 105 105 GLN H H 1 8.246 0.00 . 1 . . . . . 135 GLN H . 50540 2 473 . 2 . 2 105 105 GLN CA C 13 54.827 0.00 . 1 . . . . . 135 GLN CA . 50540 2 474 . 2 . 2 105 105 GLN CB C 13 28.964 0.00 . 1 . . . . . 135 GLN CB . 50540 2 475 . 2 . 2 105 105 GLN N N 15 124.231 0.02 . 1 . . . . . 135 GLN N . 50540 2 476 . 2 . 2 107 107 CYS C C 13 175.105 0.00 . 1 . . . . . 137 CYS C . 50540 2 477 . 2 . 2 107 107 CYS CA C 13 54.344 0.01 . 1 . . . . . 137 CYS CA . 50540 2 478 . 2 . 2 107 107 CYS CB C 13 38.821 0.06 . 1 . . . . . 137 CYS CB . 50540 2 479 . 2 . 2 108 108 SER H H 1 8.026 0.00 . 1 . . . . . 138 SER H . 50540 2 480 . 2 . 2 108 108 SER C C 13 173.254 0.00 . 1 . . . . . 138 SER C . 50540 2 481 . 2 . 2 108 108 SER CA C 13 57.860 0.02 . 1 . . . . . 138 SER CA . 50540 2 482 . 2 . 2 108 108 SER CB C 13 64.071 0.10 . 1 . . . . . 138 SER CB . 50540 2 483 . 2 . 2 108 108 SER N N 15 117.012 0.03 . 1 . . . . . 138 SER N . 50540 2 484 . 2 . 2 109 109 VAL H H 1 8.345 0.00 . 1 . . . . . 139 VAL H . 50540 2 485 . 2 . 2 109 109 VAL C C 13 174.748 0.00 . 1 . . . . . 139 VAL C . 50540 2 486 . 2 . 2 109 109 VAL CA C 13 60.085 0.04 . 1 . . . . . 139 VAL CA . 50540 2 487 . 2 . 2 109 109 VAL CB C 13 33.551 0.00 . 1 . . . . . 139 VAL CB . 50540 2 488 . 2 . 2 109 109 VAL N N 15 123.793 0.03 . 1 . . . . . 139 VAL N . 50540 2 489 . 2 . 2 110 110 SER H H 1 8.308 0.00 . 1 . . . . . 140 SER H . 50540 2 490 . 2 . 2 110 110 SER C C 13 171.496 0.00 . 1 . . . . . 140 SER C . 50540 2 491 . 2 . 2 110 110 SER CA C 13 56.483 0.04 . 1 . . . . . 140 SER CA . 50540 2 492 . 2 . 2 110 110 SER CB C 13 65.408 0.06 . 1 . . . . . 140 SER CB . 50540 2 493 . 2 . 2 110 110 SER N N 15 120.452 0.02 . 1 . . . . . 140 SER N . 50540 2 494 . 2 . 2 111 111 PHE H H 1 8.707 0.00 . 1 . . . . . 141 PHE H . 50540 2 495 . 2 . 2 111 111 PHE C C 13 175.019 0.00 . 1 . . . . . 141 PHE C . 50540 2 496 . 2 . 2 111 111 PHE CA C 13 56.476 0.01 . 1 . . . . . 141 PHE CA . 50540 2 497 . 2 . 2 111 111 PHE CB C 13 42.068 0.02 . 1 . . . . . 141 PHE CB . 50540 2 498 . 2 . 2 111 111 PHE N N 15 118.063 0.02 . 1 . . . . . 141 PHE N . 50540 2 499 . 2 . 2 112 112 GLN H H 1 9.059 0.00 . 1 . . . . . 142 GLN H . 50540 2 500 . 2 . 2 112 112 GLN C C 13 174.048 0.00 . 1 . . . . . 142 GLN C . 50540 2 501 . 2 . 2 112 112 GLN CA C 13 53.838 0.03 . 1 . . . . . 142 GLN CA . 50540 2 502 . 2 . 2 112 112 GLN CB C 13 32.277 0.13 . 1 . . . . . 142 GLN CB . 50540 2 503 . 2 . 2 112 112 GLN N N 15 118.691 0.05 . 1 . . . . . 142 GLN N . 50540 2 504 . 2 . 2 113 113 LEU H H 1 8.875 0.00 . 1 . . . . . 143 LEU H . 50540 2 505 . 2 . 2 113 113 LEU CA C 13 53.730 0.11 . 1 . . . . . 143 LEU CA . 50540 2 506 . 2 . 2 113 113 LEU CB C 13 43.446 0.02 . 1 . . . . . 143 LEU CB . 50540 2 507 . 2 . 2 113 113 LEU N N 15 124.298 0.03 . 1 . . . . . 143 LEU N . 50540 2 508 . 2 . 2 114 114 GLU H H 1 8.910 0.01 . 1 . . . . . 144 GLU H . 50540 2 509 . 2 . 2 114 114 GLU C C 13 173.901 0.00 . 1 . . . . . 144 GLU C . 50540 2 510 . 2 . 2 114 114 GLU CA C 13 54.179 0.02 . 1 . . . . . 144 GLU CA . 50540 2 511 . 2 . 2 114 114 GLU CB C 13 33.083 0.02 . 1 . . . . . 144 GLU CB . 50540 2 512 . 2 . 2 114 114 GLU N N 15 123.441 0.06 . 1 . . . . . 144 GLU N . 50540 2 513 . 2 . 2 115 115 LYS H H 1 8.261 0.01 . 1 . . . . . 145 LYS H . 50540 2 514 . 2 . 2 115 115 LYS C C 13 176.187 0.00 . 1 . . . . . 145 LYS C . 50540 2 515 . 2 . 2 115 115 LYS CA C 13 54.952 0.04 . 1 . . . . . 145 LYS CA . 50540 2 516 . 2 . 2 115 115 LYS CB C 13 33.345 0.06 . 1 . . . . . 145 LYS CB . 50540 2 517 . 2 . 2 115 115 LYS N N 15 121.182 0.08 . 1 . . . . . 145 LYS N . 50540 2 518 . 2 . 2 116 116 VAL H H 1 8.906 0.00 . 1 . . . . . 146 VAL H . 50540 2 519 . 2 . 2 116 116 VAL C C 13 174.138 0.00 . 1 . . . . . 146 VAL C . 50540 2 520 . 2 . 2 116 116 VAL CA C 13 59.546 0.02 . 1 . . . . . 146 VAL CA . 50540 2 521 . 2 . 2 116 116 VAL CB C 13 34.642 0.09 . 1 . . . . . 146 VAL CB . 50540 2 522 . 2 . 2 116 116 VAL N N 15 122.016 0.03 . 1 . . . . . 146 VAL N . 50540 2 523 . 2 . 2 117 117 LEU H H 1 8.306 0.01 . 1 . . . . . 147 LEU H . 50540 2 524 . 2 . 2 117 117 LEU C C 13 176.504 0.00 . 1 . . . . . 147 LEU C . 50540 2 525 . 2 . 2 117 117 LEU CA C 13 53.720 0.03 . 1 . . . . . 147 LEU CA . 50540 2 526 . 2 . 2 117 117 LEU CB C 13 42.048 0.03 . 1 . . . . . 147 LEU CB . 50540 2 527 . 2 . 2 117 117 LEU N N 15 124.588 0.06 . 1 . . . . . 147 LEU N . 50540 2 528 . 2 . 2 118 118 VAL H H 1 8.669 0.00 . 1 . . . . . 148 VAL H . 50540 2 529 . 2 . 2 118 118 VAL C C 13 176.288 0.00 . 1 . . . . . 148 VAL C . 50540 2 530 . 2 . 2 118 118 VAL CA C 13 60.140 0.05 . 1 . . . . . 148 VAL CA . 50540 2 531 . 2 . 2 118 118 VAL CB C 13 33.757 0.02 . 1 . . . . . 148 VAL CB . 50540 2 532 . 2 . 2 118 118 VAL N N 15 126.041 0.02 . 1 . . . . . 148 VAL N . 50540 2 533 . 2 . 2 119 119 THR H H 1 9.199 0.00 . 1 . . . . . 149 THR H . 50540 2 534 . 2 . 2 119 119 THR C C 13 175.130 0.00 . 1 . . . . . 149 THR C . 50540 2 535 . 2 . 2 119 119 THR CA C 13 62.241 0.04 . 1 . . . . . 149 THR CA . 50540 2 536 . 2 . 2 119 119 THR CB C 13 67.836 0.15 . 1 . . . . . 149 THR CB . 50540 2 537 . 2 . 2 119 119 THR N N 15 123.990 0.02 . 1 . . . . . 149 THR N . 50540 2 538 . 2 . 2 120 120 VAL H H 1 8.524 0.00 . 1 . . . . . 150 VAL H . 50540 2 539 . 2 . 2 120 120 VAL C C 13 173.609 0.00 . 1 . . . . . 150 VAL C . 50540 2 540 . 2 . 2 120 120 VAL CA C 13 61.679 0.01 . 1 . . . . . 150 VAL CA . 50540 2 541 . 2 . 2 120 120 VAL CB C 13 31.352 0.01 . 1 . . . . . 150 VAL CB . 50540 2 542 . 2 . 2 120 120 VAL N N 15 123.691 0.02 . 1 . . . . . 150 VAL N . 50540 2 543 . 2 . 2 121 121 GLY H H 1 6.673 0.00 . 1 . . . . . 151 GLY H . 50540 2 544 . 2 . 2 121 121 GLY C C 13 169.561 0.00 . 1 . . . . . 151 GLY C . 50540 2 545 . 2 . 2 121 121 GLY CA C 13 41.594 0.13 . 1 . . . . . 151 GLY CA . 50540 2 546 . 2 . 2 121 121 GLY N N 15 102.273 0.02 . 1 . . . . . 151 GLY N . 50540 2 547 . 2 . 2 122 122 CYS H H 1 5.226 0.00 . 1 . . . . . 152 CYS H . 50540 2 548 . 2 . 2 122 122 CYS C C 13 171.626 0.00 . 1 . . . . . 152 CYS C . 50540 2 549 . 2 . 2 122 122 CYS CA C 13 55.706 0.00 . 1 . . . . . 152 CYS CA . 50540 2 550 . 2 . 2 122 122 CYS CB C 13 48.852 0.01 . 1 . . . . . 152 CYS CB . 50540 2 551 . 2 . 2 122 122 CYS N N 15 115.401 0.04 . 1 . . . . . 152 CYS N . 50540 2 552 . 2 . 2 123 123 THR H H 1 8.931 0.00 . 1 . . . . . 153 THR H . 50540 2 553 . 2 . 2 123 123 THR C C 13 170.441 0.00 . 1 . . . . . 153 THR C . 50540 2 554 . 2 . 2 123 123 THR CA C 13 60.822 0.02 . 1 . . . . . 153 THR CA . 50540 2 555 . 2 . 2 123 123 THR CB C 13 70.506 0.00 . 1 . . . . . 153 THR CB . 50540 2 556 . 2 . 2 123 123 THR N N 15 119.188 0.03 . 1 . . . . . 153 THR N . 50540 2 557 . 2 . 2 124 124 CYS H H 1 8.453 0.00 . 1 . . . . . 154 CYS H . 50540 2 558 . 2 . 2 124 124 CYS C C 13 174.618 0.00 . 1 . . . . . 154 CYS C . 50540 2 559 . 2 . 2 124 124 CYS CA C 13 55.214 0.07 . 1 . . . . . 154 CYS CA . 50540 2 560 . 2 . 2 124 124 CYS CB C 13 43.711 0.02 . 1 . . . . . 154 CYS CB . 50540 2 561 . 2 . 2 124 124 CYS N N 15 124.263 0.05 . 1 . . . . . 154 CYS N . 50540 2 562 . 2 . 2 125 125 VAL H H 1 9.505 0.00 . 1 . . . . . 155 VAL H . 50540 2 563 . 2 . 2 125 125 VAL C C 13 175.542 0.00 . 1 . . . . . 155 VAL C . 50540 2 564 . 2 . 2 125 125 VAL CA C 13 58.496 0.03 . 1 . . . . . 155 VAL CA . 50540 2 565 . 2 . 2 125 125 VAL CB C 13 34.473 0.02 . 1 . . . . . 155 VAL CB . 50540 2 566 . 2 . 2 125 125 VAL N N 15 121.336 0.03 . 1 . . . . . 155 VAL N . 50540 2 567 . 2 . 2 126 126 THR H H 1 7.794 0.00 . 1 . . . . . 156 THR H . 50540 2 568 . 2 . 2 126 126 THR CA C 13 58.627 0.00 . 1 . . . . . 156 THR CA . 50540 2 569 . 2 . 2 126 126 THR CB C 13 68.567 0.00 . 1 . . . . . 156 THR CB . 50540 2 570 . 2 . 2 126 126 THR N N 15 115.881 0.02 . 1 . . . . . 156 THR N . 50540 2 571 . 2 . 2 127 127 PRO C C 13 176.700 0.00 . 1 . . . . . 157 PRO C . 50540 2 572 . 2 . 2 127 127 PRO CA C 13 62.749 0.10 . 1 . . . . . 157 PRO CA . 50540 2 573 . 2 . 2 127 127 PRO CB C 13 31.479 0.06 . 1 . . . . . 157 PRO CB . 50540 2 574 . 2 . 2 128 128 VAL H H 1 7.870 0.01 . 1 . . . . . 158 VAL H . 50540 2 575 . 2 . 2 128 128 VAL C C 13 175.568 0.00 . 1 . . . . . 158 VAL C . 50540 2 576 . 2 . 2 128 128 VAL CA C 13 61.863 0.07 . 1 . . . . . 158 VAL CA . 50540 2 577 . 2 . 2 128 128 VAL CB C 13 32.136 0.02 . 1 . . . . . 158 VAL CB . 50540 2 578 . 2 . 2 128 128 VAL N N 15 118.777 0.07 . 1 . . . . . 158 VAL N . 50540 2 579 . 2 . 2 129 129 ILE H H 1 8.017 0.00 . 1 . . . . . 159 ILE H . 50540 2 580 . 2 . 2 129 129 ILE CA C 13 60.277 0.02 . 1 . . . . . 159 ILE CA . 50540 2 581 . 2 . 2 129 129 ILE CB C 13 37.847 0.04 . 1 . . . . . 159 ILE CB . 50540 2 582 . 2 . 2 129 129 ILE N N 15 124.777 0.02 . 1 . . . . . 159 ILE N . 50540 2 583 . 2 . 2 130 130 HIS H H 1 8.379 0.00 . 1 . . . . . 160 HIS H . 50540 2 584 . 2 . 2 130 130 HIS CA C 13 55.103 0.00 . 1 . . . . . 160 HIS CA . 50540 2 585 . 2 . 2 130 130 HIS CB C 13 29.733 0.00 . 1 . . . . . 160 HIS CB . 50540 2 586 . 2 . 2 130 130 HIS N N 15 124.423 0.02 . 1 . . . . . 160 HIS N . 50540 2 587 . 2 . 2 131 131 HIS C C 13 174.430 0.00 . 1 . . . . . 161 HIS C . 50540 2 588 . 2 . 2 131 131 HIS CA C 13 55.266 0.01 . 1 . . . . . 161 HIS CA . 50540 2 589 . 2 . 2 131 131 HIS CB C 13 29.456 0.02 . 1 . . . . . 161 HIS CB . 50540 2 590 . 2 . 2 132 132 VAL H H 1 8.094 0.00 . 1 . . . . . 162 VAL H . 50540 2 591 . 2 . 2 132 132 VAL C C 13 175.169 0.00 . 1 . . . . . 162 VAL C . 50540 2 592 . 2 . 2 132 132 VAL CA C 13 61.972 0.02 . 1 . . . . . 162 VAL CA . 50540 2 593 . 2 . 2 132 132 VAL CB C 13 32.170 0.03 . 1 . . . . . 162 VAL CB . 50540 2 594 . 2 . 2 132 132 VAL N N 15 122.614 0.02 . 1 . . . . . 162 VAL N . 50540 2 595 . 2 . 2 133 133 GLN H H 1 7.896 0.00 . 1 . . . . . 163 GLN H . 50540 2 596 . 2 . 2 133 133 GLN CA C 13 56.998 0.00 . 1 . . . . . 163 GLN CA . 50540 2 597 . 2 . 2 133 133 GLN CB C 13 29.896 0.00 . 1 . . . . . 163 GLN CB . 50540 2 598 . 2 . 2 133 133 GLN N N 15 128.832 0.01 . 1 . . . . . 163 GLN N . 50540 2 stop_ save_