data_50917 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50917 _Entry.Title ; The solution structure of human HEBP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-29 _Entry.Accession_date 2021-04-29 _Entry.Last_release_date 2021-04-29 _Entry.Original_release_date 2021-04-29 _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 Filipe Freire . . . . 50917 2 Joao Rodrugues . . . . 50917 3 Leonildo Delgado . . . . 50917 4 Anjos Macedo . L. . . 50917 5 Brian Goodfellow . J. . . 50917 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Departamento de Quimica, Universidade Nova de Lisboa, Portugal' . 50917 2 . 'Departamento de Quimica, Universidade de Aveiro, Portugal' . 50917 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50917 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 50917 '15N chemical shifts' 144 50917 '1H chemical shifts' 274 50917 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 . . 2022-05-30 . original BMRB . 50917 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50921 'human HEBP2' 50917 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50917 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1016/j.ccr.2021.214189 _Citation.Full_citation . _Citation.Title ; The SOUL family of heme-binding proteins: Structure and function 15 years later ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Coord. Chem. Rev.' _Citation.Journal_name_full . _Citation.Journal_volume 448 _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 214189 _Citation.Page_last 214189 _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 B. Goodfellow B. J. . . 50917 1 2 F. Freire F. . . . 50917 1 3 A. Carvalho A. L. . . 50917 1 4 S. Aveiro S. S. . . 50917 1 5 P. Charbonnier P. . . . 50917 1 6 J. Moulis J. M. . . 50917 1 7 L. Delgado L. . . . 50917 1 8 G. Ferreira G. C. . . 50917 1 9 J. Rodrigues J. E. . . 50917 1 10 P. Poussin-Courmontagne P. . . . 50917 1 11 C. Birck C. . . . 50917 1 12 A. McEwen A. . . . 50917 1 13 A. Macedo A. L. . . 50917 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50917 _Assembly.ID 1 _Assembly.Name HEBP1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _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 22031 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HEBP1 1 $entity_1 . . yes native no no 1 . . 50917 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'heme binding protein' 50917 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50917 _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 ; HHHHHHLELGMIKNSLFGSV ETWPWQVLSKGDKEEVAYEE RACEGGKFATVEVTDKPVDE ALREAMPKVAKYAGGTNDKG IGMGMTVPISFAVFPNEDGS LQKKLKVWFRIPNQFQSDPP APSDKSVKIEEREGITVYSM QFGGYAKEADYVAQATRLRA ALEGTATYRGDIYFCTGYDP PMKPYGRRNEIWLLKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'His-6 His-5 His-4 His-3 His-2 His-1 Leu0 Glu1 Leu2 Gly3 Met4 Ile5 Lys6 Asn7 Ser8....Thr189.' _Entity.Polymer_author_seq_details ; Taketani,S., Adachi,Y., Kohno,H., Ikehara,S., Tokunaga,R. and Ishii,T.: Molecular characterization of a newly identified heme-binding protein induced during differentiation of murine erythroleukemia cells: J. Biol. Chem. 273 (47), 31388-31394 (1998). ; _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 196 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22031 _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 BMRB 17953 . HEME-BINDING_PROTEIN_1 . . . . . . . . . . . . . . 50917 1 2 yes BMRB 7231 . p22HBP . . . . . . . . . . . . . . 50917 1 3 yes PDB 2GOV . 'Solution Structure Of Murine P22hbp' . . . . . . . . . . . . . . 50917 1 4 yes PDB 2HVA . 'Solution Structure Of The Haem-Binding Protein P22hbp' . . . . . . . . . . . . . . 50917 1 5 yes PDB 4A1M . 'Nmr Structure Of Protoporphyrin-Ix Bound Murine P22hbp' . . . . . . . . . . . . . . 50917 1 6 yes DBJ BAA33770 . 'heme-binding protein [Mus musculus]' . . . . . . . . . . . . . . 50917 1 7 yes EMBL CAJ18470 . 'Hebp1 [Mus musculus]' . . . . . . . . . . . . . . 50917 1 8 yes GB AAD32096 . 'heme-binding protein [Mus musculus]' . . . . . . . . . . . . . . 50917 1 9 yes GB AAH12654 . 'Heme binding protein 1 [Mus musculus]' . . . . . . . . . . . . . . 50917 1 10 yes GB AAI68221 . 'Hebp1 protein [Rattus norvegicus]' . . . . . . . . . . . . . . 50917 1 11 yes GB EDL10544 . 'heme binding protein 1 [Mus musculus]' . . . . . . . . . . . . . . 50917 1 12 yes GB EDM01631 . 'heme binding protein 1 (predicted), isoform CRA_a [Rattus norvegicus]' . . . . . . . . . . . . . . 50917 1 13 yes REF NP_001102121 . 'heme-binding protein 1 [Rattus norvegicus]' . . . . . . . . . . . . . . 50917 1 14 yes REF NP_038574 . 'heme-binding protein 1 [Mus musculus]' . . . . . . . . . . . . . . 50917 1 15 yes REF XP_006237591 . 'PREDICTED: heme-binding protein 1 isoform X1 [Rattus norvegicus]' . . . . . . . . . . . . . . 50917 1 16 yes SP Q9R257 . 'RecName: Full=Heme-binding protein 1; AltName: Full=p22HBP [Mus musculus]' . . . . . . . . . . . . . . 50917 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'heme binding protein' 50917 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 -6 HIS . 50917 1 2 -5 HIS . 50917 1 3 -4 HIS . 50917 1 4 -3 HIS . 50917 1 5 -2 HIS . 50917 1 6 -1 HIS . 50917 1 7 0 LEU . 50917 1 8 1 GLU . 50917 1 9 2 LEU . 50917 1 10 3 GLY . 50917 1 11 4 MET . 50917 1 12 5 ILE . 50917 1 13 6 LYS . 50917 1 14 7 ASN . 50917 1 15 8 SER . 50917 1 16 9 LEU . 50917 1 17 10 PHE . 50917 1 18 11 GLY . 50917 1 19 12 SER . 50917 1 20 13 VAL . 50917 1 21 14 GLU . 50917 1 22 15 THR . 50917 1 23 16 TRP . 50917 1 24 17 PRO . 50917 1 25 18 TRP . 50917 1 26 19 GLN . 50917 1 27 20 VAL . 50917 1 28 21 LEU . 50917 1 29 22 SER . 50917 1 30 23 LYS . 50917 1 31 24 GLY . 50917 1 32 25 ASP . 50917 1 33 26 LYS . 50917 1 34 27 GLU . 50917 1 35 28 GLU . 50917 1 36 29 VAL . 50917 1 37 30 ALA . 50917 1 38 31 TYR . 50917 1 39 32 GLU . 50917 1 40 33 GLU . 50917 1 41 34 ARG . 50917 1 42 35 ALA . 50917 1 43 36 CYS . 50917 1 44 37 GLU . 50917 1 45 38 GLY . 50917 1 46 39 GLY . 50917 1 47 40 LYS . 50917 1 48 41 PHE . 50917 1 49 42 ALA . 50917 1 50 43 THR . 50917 1 51 44 VAL . 50917 1 52 45 GLU . 50917 1 53 46 VAL . 50917 1 54 47 THR . 50917 1 55 48 ASP . 50917 1 56 49 LYS . 50917 1 57 50 PRO . 50917 1 58 51 VAL . 50917 1 59 52 ASP . 50917 1 60 53 GLU . 50917 1 61 54 ALA . 50917 1 62 55 LEU . 50917 1 63 56 ARG . 50917 1 64 57 GLU . 50917 1 65 58 ALA . 50917 1 66 59 MET . 50917 1 67 60 PRO . 50917 1 68 61 LYS . 50917 1 69 62 VAL . 50917 1 70 63 ALA . 50917 1 71 64 LYS . 50917 1 72 65 TYR . 50917 1 73 66 ALA . 50917 1 74 67 GLY . 50917 1 75 68 GLY . 50917 1 76 69 THR . 50917 1 77 70 ASN . 50917 1 78 71 ASP . 50917 1 79 72 LYS . 50917 1 80 73 GLY . 50917 1 81 74 ILE . 50917 1 82 75 GLY . 50917 1 83 76 MET . 50917 1 84 77 GLY . 50917 1 85 78 MET . 50917 1 86 79 THR . 50917 1 87 80 VAL . 50917 1 88 81 PRO . 50917 1 89 82 ILE . 50917 1 90 83 SER . 50917 1 91 84 PHE . 50917 1 92 85 ALA . 50917 1 93 86 VAL . 50917 1 94 87 PHE . 50917 1 95 88 PRO . 50917 1 96 89 ASN . 50917 1 97 90 GLU . 50917 1 98 91 ASP . 50917 1 99 92 GLY . 50917 1 100 93 SER . 50917 1 101 94 LEU . 50917 1 102 95 GLN . 50917 1 103 96 LYS . 50917 1 104 97 LYS . 50917 1 105 98 LEU . 50917 1 106 99 LYS . 50917 1 107 100 VAL . 50917 1 108 101 TRP . 50917 1 109 102 PHE . 50917 1 110 103 ARG . 50917 1 111 104 ILE . 50917 1 112 105 PRO . 50917 1 113 106 ASN . 50917 1 114 107 GLN . 50917 1 115 108 PHE . 50917 1 116 109 GLN . 50917 1 117 110 SER . 50917 1 118 111 ASP . 50917 1 119 112 PRO . 50917 1 120 113 PRO . 50917 1 121 114 ALA . 50917 1 122 115 PRO . 50917 1 123 116 SER . 50917 1 124 117 ASP . 50917 1 125 118 LYS . 50917 1 126 119 SER . 50917 1 127 120 VAL . 50917 1 128 121 LYS . 50917 1 129 122 ILE . 50917 1 130 123 GLU . 50917 1 131 124 GLU . 50917 1 132 125 ARG . 50917 1 133 126 GLU . 50917 1 134 127 GLY . 50917 1 135 128 ILE . 50917 1 136 129 THR . 50917 1 137 130 VAL . 50917 1 138 131 TYR . 50917 1 139 132 SER . 50917 1 140 133 MET . 50917 1 141 134 GLN . 50917 1 142 135 PHE . 50917 1 143 136 GLY . 50917 1 144 137 GLY . 50917 1 145 138 TYR . 50917 1 146 139 ALA . 50917 1 147 140 LYS . 50917 1 148 141 GLU . 50917 1 149 142 ALA . 50917 1 150 143 ASP . 50917 1 151 144 TYR . 50917 1 152 145 VAL . 50917 1 153 146 ALA . 50917 1 154 147 GLN . 50917 1 155 148 ALA . 50917 1 156 149 THR . 50917 1 157 150 ARG . 50917 1 158 151 LEU . 50917 1 159 152 ARG . 50917 1 160 153 ALA . 50917 1 161 154 ALA . 50917 1 162 155 LEU . 50917 1 163 156 GLU . 50917 1 164 157 GLY . 50917 1 165 158 THR . 50917 1 166 159 ALA . 50917 1 167 160 THR . 50917 1 168 161 TYR . 50917 1 169 162 ARG . 50917 1 170 163 GLY . 50917 1 171 164 ASP . 50917 1 172 165 ILE . 50917 1 173 166 TYR . 50917 1 174 167 PHE . 50917 1 175 168 CYS . 50917 1 176 169 THR . 50917 1 177 170 GLY . 50917 1 178 171 TYR . 50917 1 179 172 ASP . 50917 1 180 173 PRO . 50917 1 181 174 PRO . 50917 1 182 175 MET . 50917 1 183 176 LYS . 50917 1 184 177 PRO . 50917 1 185 178 TYR . 50917 1 186 179 GLY . 50917 1 187 180 ARG . 50917 1 188 181 ARG . 50917 1 189 182 ASN . 50917 1 190 183 GLU . 50917 1 191 184 ILE . 50917 1 192 185 TRP . 50917 1 193 186 LEU . 50917 1 194 187 LEU . 50917 1 195 188 LYS . 50917 1 196 189 THR . 50917 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 . HIS 1 1 50917 1 . HIS 2 2 50917 1 . HIS 3 3 50917 1 . HIS 4 4 50917 1 . HIS 5 5 50917 1 . HIS 6 6 50917 1 . LEU 7 7 50917 1 . GLU 8 8 50917 1 . LEU 9 9 50917 1 . GLY 10 10 50917 1 . MET 11 11 50917 1 . ILE 12 12 50917 1 . LYS 13 13 50917 1 . ASN 14 14 50917 1 . SER 15 15 50917 1 . LEU 16 16 50917 1 . PHE 17 17 50917 1 . GLY 18 18 50917 1 . SER 19 19 50917 1 . VAL 20 20 50917 1 . GLU 21 21 50917 1 . THR 22 22 50917 1 . TRP 23 23 50917 1 . PRO 24 24 50917 1 . TRP 25 25 50917 1 . GLN 26 26 50917 1 . VAL 27 27 50917 1 . LEU 28 28 50917 1 . SER 29 29 50917 1 . LYS 30 30 50917 1 . GLY 31 31 50917 1 . ASP 32 32 50917 1 . LYS 33 33 50917 1 . GLU 34 34 50917 1 . GLU 35 35 50917 1 . VAL 36 36 50917 1 . ALA 37 37 50917 1 . TYR 38 38 50917 1 . GLU 39 39 50917 1 . GLU 40 40 50917 1 . ARG 41 41 50917 1 . ALA 42 42 50917 1 . CYS 43 43 50917 1 . GLU 44 44 50917 1 . GLY 45 45 50917 1 . GLY 46 46 50917 1 . LYS 47 47 50917 1 . PHE 48 48 50917 1 . ALA 49 49 50917 1 . THR 50 50 50917 1 . VAL 51 51 50917 1 . GLU 52 52 50917 1 . VAL 53 53 50917 1 . THR 54 54 50917 1 . ASP 55 55 50917 1 . LYS 56 56 50917 1 . PRO 57 57 50917 1 . VAL 58 58 50917 1 . ASP 59 59 50917 1 . GLU 60 60 50917 1 . ALA 61 61 50917 1 . LEU 62 62 50917 1 . ARG 63 63 50917 1 . GLU 64 64 50917 1 . ALA 65 65 50917 1 . MET 66 66 50917 1 . PRO 67 67 50917 1 . LYS 68 68 50917 1 . VAL 69 69 50917 1 . ALA 70 70 50917 1 . LYS 71 71 50917 1 . TYR 72 72 50917 1 . ALA 73 73 50917 1 . GLY 74 74 50917 1 . GLY 75 75 50917 1 . THR 76 76 50917 1 . ASN 77 77 50917 1 . ASP 78 78 50917 1 . LYS 79 79 50917 1 . GLY 80 80 50917 1 . ILE 81 81 50917 1 . GLY 82 82 50917 1 . MET 83 83 50917 1 . GLY 84 84 50917 1 . MET 85 85 50917 1 . THR 86 86 50917 1 . VAL 87 87 50917 1 . PRO 88 88 50917 1 . ILE 89 89 50917 1 . SER 90 90 50917 1 . PHE 91 91 50917 1 . ALA 92 92 50917 1 . VAL 93 93 50917 1 . PHE 94 94 50917 1 . PRO 95 95 50917 1 . ASN 96 96 50917 1 . GLU 97 97 50917 1 . ASP 98 98 50917 1 . GLY 99 99 50917 1 . SER 100 100 50917 1 . LEU 101 101 50917 1 . GLN 102 102 50917 1 . LYS 103 103 50917 1 . LYS 104 104 50917 1 . LEU 105 105 50917 1 . LYS 106 106 50917 1 . VAL 107 107 50917 1 . TRP 108 108 50917 1 . PHE 109 109 50917 1 . ARG 110 110 50917 1 . ILE 111 111 50917 1 . PRO 112 112 50917 1 . ASN 113 113 50917 1 . GLN 114 114 50917 1 . PHE 115 115 50917 1 . GLN 116 116 50917 1 . SER 117 117 50917 1 . ASP 118 118 50917 1 . PRO 119 119 50917 1 . PRO 120 120 50917 1 . ALA 121 121 50917 1 . PRO 122 122 50917 1 . SER 123 123 50917 1 . ASP 124 124 50917 1 . LYS 125 125 50917 1 . SER 126 126 50917 1 . VAL 127 127 50917 1 . LYS 128 128 50917 1 . ILE 129 129 50917 1 . GLU 130 130 50917 1 . GLU 131 131 50917 1 . ARG 132 132 50917 1 . GLU 133 133 50917 1 . GLY 134 134 50917 1 . ILE 135 135 50917 1 . THR 136 136 50917 1 . VAL 137 137 50917 1 . TYR 138 138 50917 1 . SER 139 139 50917 1 . MET 140 140 50917 1 . GLN 141 141 50917 1 . PHE 142 142 50917 1 . GLY 143 143 50917 1 . GLY 144 144 50917 1 . TYR 145 145 50917 1 . ALA 146 146 50917 1 . LYS 147 147 50917 1 . GLU 148 148 50917 1 . ALA 149 149 50917 1 . ASP 150 150 50917 1 . TYR 151 151 50917 1 . VAL 152 152 50917 1 . ALA 153 153 50917 1 . GLN 154 154 50917 1 . ALA 155 155 50917 1 . THR 156 156 50917 1 . ARG 157 157 50917 1 . LEU 158 158 50917 1 . ARG 159 159 50917 1 . ALA 160 160 50917 1 . ALA 161 161 50917 1 . LEU 162 162 50917 1 . GLU 163 163 50917 1 . GLY 164 164 50917 1 . THR 165 165 50917 1 . ALA 166 166 50917 1 . THR 167 167 50917 1 . TYR 168 168 50917 1 . ARG 169 169 50917 1 . GLY 170 170 50917 1 . ASP 171 171 50917 1 . ILE 172 172 50917 1 . TYR 173 173 50917 1 . PHE 174 174 50917 1 . CYS 175 175 50917 1 . THR 176 176 50917 1 . GLY 177 177 50917 1 . TYR 178 178 50917 1 . ASP 179 179 50917 1 . PRO 180 180 50917 1 . PRO 181 181 50917 1 . MET 182 182 50917 1 . LYS 183 183 50917 1 . PRO 184 184 50917 1 . TYR 185 185 50917 1 . GLY 186 186 50917 1 . ARG 187 187 50917 1 . ARG 188 188 50917 1 . ASN 189 189 50917 1 . GLU 190 190 50917 1 . ILE 191 191 50917 1 . TRP 192 192 50917 1 . LEU 193 193 50917 1 . LEU 194 194 50917 1 . LYS 195 195 50917 1 . THR 196 196 50917 1 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 50917 _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 . . . . . . . . . . . . . 50917 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 50917 _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 . . . plasmid . . pET28 . . . 50917 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50917 _Sample.ID 1 _Sample.Name '15N 13C' _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 50917 1 2 'human heme binding protein HEBP1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50917 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50917 _Sample.ID 2 _Sample.Name '15N 13C 2H 80%' _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 50917 2 2 'human heme binding protein HEBP1' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 1 . . mM . . . . 50917 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50917 _Sample.ID 3 _Sample.Name 15N _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer' _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 50917 3 2 'human heme binding protein HEBP1' '[U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50917 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 50917 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'conditions 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.0 0.01 pH 50917 1 temperature 303 0.1 K 50917 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50917 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details ; Resonance assignment. R. Keller, The Computer Aided Resonance Assignment Tutorial. Goldau: Cantina Verlag, 2004. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'resonance assignment' . 50917 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50917 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details 'nmr data acquisition and processing' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data acquisition and processing' . 50917 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50917 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 9.4 _Software.DOI . _Software.Details ; NMR data processing; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer, and A. Bax, "NMRPipe: a multidimensional spectral processing system based on UNIX pipes.," J. Biomol. NMR, vol. 6, no. 3, pp. 277-93, Nov. 1995. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data acquisition and processing' . 50917 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 50917 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800MHz spectrometer' _NMR_spectrometer.Details 'TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II 800' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800MHz save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50917 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '700MHz spectrometer' _NMR_spectrometer.Details 'TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD 700' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700MHz 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 50917 _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 1H15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50917 1 2 '2D 1H15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50917 1 3 '3D trHNCOCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50917 1 4 '3D trHNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50917 1 5 '3D trHNCOCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50917 1 6 '3D trHNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50917 1 7 trHNCACB no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50917 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50917 1 9 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50917 1 10 '3D trHNCOCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50917 1 11 '3D trHNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50917 1 12 '3D trHNCOCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50917 1 13 '3D trHNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50917 1 14 '3D trHNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50917 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 50917 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449 . . . . . 50917 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 50917 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.1011329 . . . . . 50917 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 50917 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chem shift list 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H15N HSQC' . . . 50917 1 2 '2D 1H15N TROSY' . . . 50917 1 3 '3D trHNCOCACB' . . . 50917 1 4 '3D trHNCA' . . . 50917 1 5 '3D trHNCOCA' . . . 50917 1 6 '3D trHNCO' . . . 50917 1 7 trHNCACB . . . 50917 1 8 '2D 1H-15N HSQC' . . . 50917 1 9 '2D 1H-15N TROSY' . . . 50917 1 10 '3D trHNCOCACB' . . . 50917 1 11 '3D trHNCA' . . . 50917 1 12 '3D trHNCOCA' . . . 50917 1 13 '3D trHNCACB' . . . 50917 1 14 '3D trHNCO' . . . 50917 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY effect' N . 0.714 . 50917 1 'TROSY effect' H . -0.066 . 50917 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50917 1 2 $software_2 . . 50917 1 3 $software_3 . . 50917 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 20 20 VAL H H 1 8.08 0.02 . 1 . . . . . 13 VAL H . 50917 1 2 . 1 . 1 20 20 VAL HA H 1 3.99 0.02 . 1 . . . . . 13 VAL HA . 50917 1 3 . 1 . 1 20 20 VAL HB H 1 1.95 0.02 . 1 . . . . . 13 VAL HB . 50917 1 4 . 1 . 1 20 20 VAL C C 13 175.3 0.3 . 1 . . . . . 13 VAL C . 50917 1 5 . 1 . 1 20 20 VAL CA C 13 62.1 0.3 . 1 . . . . . 13 VAL CA . 50917 1 6 . 1 . 1 20 20 VAL CB C 13 32.2 0.3 . 1 . . . . . 13 VAL CB . 50917 1 7 . 1 . 1 20 20 VAL N N 15 121.9 0.3 . 1 . . . . . 13 VAL N . 50917 1 8 . 1 . 1 23 23 TRP H H 1 10.80 0.02 . 1 . . . . . 16 TRP H . 50917 1 9 . 1 . 1 23 23 TRP N N 15 128.6 0.3 . 1 . . . . . 16 TRP N . 50917 1 10 . 1 . 1 25 25 TRP H H 1 7.49 0.02 . 1 . . . . . 18 TRP H . 50917 1 11 . 1 . 1 25 25 TRP HA H 1 5.38 0.02 . 1 . . . . . 18 TRP HA . 50917 1 12 . 1 . 1 25 25 TRP C C 13 174.5 0.3 . 1 . . . . . 18 TRP C . 50917 1 13 . 1 . 1 25 25 TRP CA C 13 55.1 0.3 . 1 . . . . . 18 TRP CA . 50917 1 14 . 1 . 1 25 25 TRP N N 15 118.8 0.3 . 1 . . . . . 18 TRP N . 50917 1 15 . 1 . 1 26 26 GLN H H 1 8.12 0.02 . 1 . . . . . 19 GLN H . 50917 1 16 . 1 . 1 26 26 GLN HA H 1 4.84 0.02 . 1 . . . . . 19 GLN HA . 50917 1 17 . 1 . 1 26 26 GLN C C 13 175.5 0.3 . 1 . . . . . 19 GLN C . 50917 1 18 . 1 . 1 26 26 GLN CA C 13 53.7 0.3 . 1 . . . . . 19 GLN CA . 50917 1 19 . 1 . 1 26 26 GLN CB C 13 31.2 0.3 . 1 . . . . . 19 GLN CB . 50917 1 20 . 1 . 1 26 26 GLN N N 15 117.1 0.3 . 1 . . . . . 19 GLN N . 50917 1 21 . 1 . 1 27 27 VAL H H 1 9.21 0.02 . 1 . . . . . 20 VAL H . 50917 1 22 . 1 . 1 27 27 VAL HA H 1 4.69 0.02 . 1 . . . . . 20 VAL HA . 50917 1 23 . 1 . 1 27 27 VAL C C 13 176.1 0.3 . 1 . . . . . 20 VAL C . 50917 1 24 . 1 . 1 27 27 VAL CA C 13 63.4 0.3 . 1 . . . . . 20 VAL CA . 50917 1 25 . 1 . 1 27 27 VAL N N 15 126.5 0.3 . 1 . . . . . 20 VAL N . 50917 1 26 . 1 . 1 28 28 LEU H H 1 9.16 0.02 . 1 . . . . . 21 LEU H . 50917 1 27 . 1 . 1 28 28 LEU HA H 1 4.30 0.02 . 1 . . . . . 21 LEU HA . 50917 1 28 . 1 . 1 28 28 LEU C C 13 177.7 0.3 . 1 . . . . . 21 LEU C . 50917 1 29 . 1 . 1 28 28 LEU CA C 13 55.9 0.3 . 1 . . . . . 21 LEU CA . 50917 1 30 . 1 . 1 28 28 LEU CB C 13 41.7 0.3 . 1 . . . . . 21 LEU CB . 50917 1 31 . 1 . 1 28 28 LEU N N 15 130.1 0.3 . 1 . . . . . 21 LEU N . 50917 1 32 . 1 . 1 29 29 SER H H 1 7.69 0.02 . 1 . . . . . 22 SER H . 50917 1 33 . 1 . 1 29 29 SER HA H 1 4.48 0.02 . 1 . . . . . 22 SER HA . 50917 1 34 . 1 . 1 29 29 SER C C 13 171.2 0.3 . 1 . . . . . 22 SER C . 50917 1 35 . 1 . 1 29 29 SER CA C 13 58.5 0.3 . 1 . . . . . 22 SER CA . 50917 1 36 . 1 . 1 29 29 SER CB C 13 64.4 0.3 . 1 . . . . . 22 SER CB . 50917 1 37 . 1 . 1 29 29 SER N N 15 110.8 0.3 . 1 . . . . . 22 SER N . 50917 1 38 . 1 . 1 30 30 LYS H H 1 8.30 0.02 . 1 . . . . . 23 LYS H . 50917 1 39 . 1 . 1 30 30 LYS HA H 1 4.72 0.02 . 1 . . . . . 23 LYS HA . 50917 1 40 . 1 . 1 30 30 LYS C C 13 175.0 0.3 . 1 . . . . . 23 LYS C . 50917 1 41 . 1 . 1 30 30 LYS CA C 13 55.5 0.3 . 1 . . . . . 23 LYS CA . 50917 1 42 . 1 . 1 30 30 LYS CB C 13 34.9 0.3 . 1 . . . . . 23 LYS CB . 50917 1 43 . 1 . 1 30 30 LYS N N 15 118.2 0.3 . 1 . . . . . 23 LYS N . 50917 1 44 . 1 . 1 31 31 GLY H H 1 7.53 0.02 . 1 . . . . . 24 GLY H . 50917 1 45 . 1 . 1 31 31 GLY HA2 H 1 4.17 0.02 . 1 . . . . . 24 GLY HA2 . 50917 1 46 . 1 . 1 31 31 GLY HA3 H 1 4.17 0.02 . 1 . . . . . 24 GLY HA3 . 50917 1 47 . 1 . 1 31 31 GLY C C 13 170.7 0.3 . 1 . . . . . 24 GLY C . 50917 1 48 . 1 . 1 31 31 GLY CA C 13 44.6 0.3 . 1 . . . . . 24 GLY CA . 50917 1 49 . 1 . 1 31 31 GLY N N 15 108.2 0.3 . 1 . . . . . 24 GLY N . 50917 1 50 . 1 . 1 32 32 ASP H H 1 7.95 0.02 . 1 . . . . . 25 ASP H . 50917 1 51 . 1 . 1 32 32 ASP HA H 1 5.25 0.02 . 1 . . . . . 25 ASP HA . 50917 1 52 . 1 . 1 32 32 ASP C C 13 175.2 0.3 . 1 . . . . . 25 ASP C . 50917 1 53 . 1 . 1 32 32 ASP CA C 13 53.6 0.3 . 1 . . . . . 25 ASP CA . 50917 1 54 . 1 . 1 32 32 ASP CB C 13 43.8 0.3 . 1 . . . . . 25 ASP CB . 50917 1 55 . 1 . 1 32 32 ASP N N 15 117.1 0.3 . 1 . . . . . 25 ASP N . 50917 1 56 . 1 . 1 33 33 LYS H H 1 8.74 0.02 . 1 . . . . . 26 LYS H . 50917 1 57 . 1 . 1 33 33 LYS HA H 1 4.43 0.02 . 1 . . . . . 26 LYS HA . 50917 1 58 . 1 . 1 33 33 LYS C C 13 175.7 0.3 . 1 . . . . . 26 LYS C . 50917 1 59 . 1 . 1 33 33 LYS CA C 13 56.1 0.3 . 1 . . . . . 26 LYS CA . 50917 1 60 . 1 . 1 33 33 LYS CB C 13 33.6 0.3 . 1 . . . . . 26 LYS CB . 50917 1 61 . 1 . 1 33 33 LYS N N 15 122.4 0.3 . 1 . . . . . 26 LYS N . 50917 1 62 . 1 . 1 34 34 GLU H H 1 9.17 0.02 . 1 . . . . . 27 GLU H . 50917 1 63 . 1 . 1 34 34 GLU CA C 13 58.0 0.3 . 1 . . . . . 27 GLU CA . 50917 1 64 . 1 . 1 34 34 GLU CB C 13 26.5 0.3 . 1 . . . . . 27 GLU CB . 50917 1 65 . 1 . 1 34 34 GLU N N 15 125.1 0.3 . 1 . . . . . 27 GLU N . 50917 1 66 . 1 . 1 35 35 GLU H H 1 8.66 0.02 . 1 . . . . . 28 GLU H . 50917 1 67 . 1 . 1 35 35 GLU HA H 1 4.09 0.02 . 1 . . . . . 28 GLU HA . 50917 1 68 . 1 . 1 35 35 GLU C C 13 175.7 0.3 . 1 . . . . . 28 GLU C . 50917 1 69 . 1 . 1 35 35 GLU CA C 13 57.7 0.3 . 1 . . . . . 28 GLU CA . 50917 1 70 . 1 . 1 35 35 GLU CB C 13 27.3 0.3 . 1 . . . . . 28 GLU CB . 50917 1 71 . 1 . 1 35 35 GLU CG C 13 36.8 0.3 . 1 . . . . . 28 GLU CG . 50917 1 72 . 1 . 1 35 35 GLU N N 15 116.1 0.3 . 1 . . . . . 28 GLU N . 50917 1 73 . 1 . 1 36 36 VAL H H 1 7.86 0.02 . 1 . . . . . 29 VAL H . 50917 1 74 . 1 . 1 36 36 VAL HA H 1 4.09 0.02 . 1 . . . . . 29 VAL HA . 50917 1 75 . 1 . 1 36 36 VAL C C 13 173.3 0.3 . 1 . . . . . 29 VAL C . 50917 1 76 . 1 . 1 36 36 VAL CA C 13 62.4 0.3 . 1 . . . . . 29 VAL CA . 50917 1 77 . 1 . 1 36 36 VAL CB C 13 31.5 0.3 . 1 . . . . . 29 VAL CB . 50917 1 78 . 1 . 1 36 36 VAL CG1 C 13 21.9 0.3 . 1 . . . . . 29 VAL CG1 . 50917 1 79 . 1 . 1 36 36 VAL CG2 C 13 20.5 0.3 . 1 . . . . . 29 VAL CG2 . 50917 1 80 . 1 . 1 36 36 VAL N N 15 121.6 0.3 . 1 . . . . . 29 VAL N . 50917 1 81 . 1 . 1 37 37 ALA H H 1 8.23 0.02 . 1 . . . . . 30 ALA H . 50917 1 82 . 1 . 1 37 37 ALA HA H 1 4.99 0.02 . 1 . . . . . 30 ALA HA . 50917 1 83 . 1 . 1 37 37 ALA HB1 H 1 1.35 0.02 . 1 . . . . . 30 ALA HB . 50917 1 84 . 1 . 1 37 37 ALA HB2 H 1 1.35 0.02 . 1 . . . . . 30 ALA HB . 50917 1 85 . 1 . 1 37 37 ALA HB3 H 1 1.35 0.02 . 1 . . . . . 30 ALA HB . 50917 1 86 . 1 . 1 37 37 ALA C C 13 176.9 0.3 . 1 . . . . . 30 ALA C . 50917 1 87 . 1 . 1 37 37 ALA CA C 13 50.7 0.3 . 1 . . . . . 30 ALA CA . 50917 1 88 . 1 . 1 37 37 ALA CB C 13 20.5 0.3 . 1 . . . . . 30 ALA CB . 50917 1 89 . 1 . 1 37 37 ALA N N 15 130.2 0.3 . 1 . . . . . 30 ALA N . 50917 1 90 . 1 . 1 38 38 TYR H H 1 8.33 0.02 . 1 . . . . . 31 TYR H . 50917 1 91 . 1 . 1 38 38 TYR HA H 1 5.71 0.02 . 1 . . . . . 31 TYR HA . 50917 1 92 . 1 . 1 38 38 TYR HB2 H 1 2.88 0.02 . 2 . . . . . 31 TYR HB2 . 50917 1 93 . 1 . 1 38 38 TYR HB3 H 1 2.83 0.02 . 2 . . . . . 31 TYR HB3 . 50917 1 94 . 1 . 1 38 38 TYR C C 13 174.3 0.3 . 1 . . . . . 31 TYR C . 50917 1 95 . 1 . 1 38 38 TYR CA C 13 55.5 0.3 . 1 . . . . . 31 TYR CA . 50917 1 96 . 1 . 1 38 38 TYR CB C 13 42.2 0.3 . 1 . . . . . 31 TYR CB . 50917 1 97 . 1 . 1 38 38 TYR N N 15 118.4 0.3 . 1 . . . . . 31 TYR N . 50917 1 98 . 1 . 1 39 39 GLU H H 1 9.00 0.02 . 1 . . . . . 32 GLU H . 50917 1 99 . 1 . 1 39 39 GLU HA H 1 4.87 0.02 . 1 . . . . . 32 GLU HA . 50917 1 100 . 1 . 1 39 39 GLU C C 13 173.9 0.3 . 1 . . . . . 32 GLU C . 50917 1 101 . 1 . 1 39 39 GLU CA C 13 54.2 0.3 . 1 . . . . . 32 GLU CA . 50917 1 102 . 1 . 1 39 39 GLU CB C 13 33.1 0.3 . 1 . . . . . 32 GLU CB . 50917 1 103 . 1 . 1 39 39 GLU CG C 13 36.1 0.3 . 1 . . . . . 32 GLU CG . 50917 1 104 . 1 . 1 39 39 GLU N N 15 117.7 0.3 . 1 . . . . . 32 GLU N . 50917 1 105 . 1 . 1 40 40 GLU H H 1 8.87 0.02 . 1 . . . . . 33 GLU H . 50917 1 106 . 1 . 1 40 40 GLU HA H 1 5.08 0.02 . 1 . . . . . 33 GLU HA . 50917 1 107 . 1 . 1 40 40 GLU HB3 H 1 2.43 0.02 . 1 . . . . . 33 GLU HB3 . 50917 1 108 . 1 . 1 40 40 GLU C C 13 175.7 0.3 . 1 . . . . . 33 GLU C . 50917 1 109 . 1 . 1 40 40 GLU CA C 13 54.1 0.3 . 1 . . . . . 33 GLU CA . 50917 1 110 . 1 . 1 40 40 GLU CB C 13 30.8 0.3 . 1 . . . . . 33 GLU CB . 50917 1 111 . 1 . 1 40 40 GLU N N 15 127.1 0.3 . 1 . . . . . 33 GLU N . 50917 1 112 . 1 . 1 41 41 ARG H H 1 9.07 0.02 . 1 . . . . . 34 ARG H . 50917 1 113 . 1 . 1 41 41 ARG HA H 1 5.05 0.02 . 1 . . . . . 34 ARG HA . 50917 1 114 . 1 . 1 41 41 ARG C C 13 173.8 0.3 . 1 . . . . . 34 ARG C . 50917 1 115 . 1 . 1 41 41 ARG CA C 13 53.6 0.3 . 1 . . . . . 34 ARG CA . 50917 1 116 . 1 . 1 41 41 ARG CB C 13 34.0 0.3 . 1 . . . . . 34 ARG CB . 50917 1 117 . 1 . 1 41 41 ARG N N 15 125.2 0.3 . 1 . . . . . 34 ARG N . 50917 1 118 . 1 . 1 42 42 ALA H H 1 8.80 0.02 . 1 . . . . . 35 ALA H . 50917 1 119 . 1 . 1 42 42 ALA HA H 1 4.84 0.02 . 1 . . . . . 35 ALA HA . 50917 1 120 . 1 . 1 42 42 ALA C C 13 177.5 0.3 . 1 . . . . . 35 ALA C . 50917 1 121 . 1 . 1 42 42 ALA CA C 13 50.8 0.3 . 1 . . . . . 35 ALA CA . 50917 1 122 . 1 . 1 42 42 ALA CB C 13 17.4 0.3 . 1 . . . . . 35 ALA CB . 50917 1 123 . 1 . 1 42 42 ALA N N 15 125.1 0.3 . 1 . . . . . 35 ALA N . 50917 1 124 . 1 . 1 43 43 CYS H H 1 9.10 0.02 . 1 . . . . . 36 CYS H . 50917 1 125 . 1 . 1 43 43 CYS HA H 1 5.05 0.02 . 1 . . . . . 36 CYS HA . 50917 1 126 . 1 . 1 43 43 CYS C C 13 175.5 0.3 . 1 . . . . . 36 CYS C . 50917 1 127 . 1 . 1 43 43 CYS CA C 13 57.5 0.3 . 1 . . . . . 36 CYS CA . 50917 1 128 . 1 . 1 43 43 CYS CB C 13 26.3 0.3 . 1 . . . . . 36 CYS CB . 50917 1 129 . 1 . 1 43 43 CYS N N 15 124.9 0.3 . 1 . . . . . 36 CYS N . 50917 1 130 . 1 . 1 44 44 GLU H H 1 8.80 0.02 . 1 . . . . . 37 GLU H . 50917 1 131 . 1 . 1 44 44 GLU C C 13 178.9 0.3 . 1 . . . . . 37 GLU C . 50917 1 132 . 1 . 1 44 44 GLU CA C 13 58.5 0.3 . 1 . . . . . 37 GLU CA . 50917 1 133 . 1 . 1 44 44 GLU CB C 13 29.5 0.3 . 1 . . . . . 37 GLU CB . 50917 1 134 . 1 . 1 44 44 GLU N N 15 124.2 0.3 . 1 . . . . . 37 GLU N . 50917 1 135 . 1 . 1 45 45 GLY H H 1 8.80 0.02 . 1 . . . . . 38 GLY H . 50917 1 136 . 1 . 1 45 45 GLY HA2 H 1 4.66 0.02 . 1 . . . . . 38 GLY HA2 . 50917 1 137 . 1 . 1 45 45 GLY C C 13 172.1 0.3 . 1 . . . . . 38 GLY C . 50917 1 138 . 1 . 1 45 45 GLY CA C 13 44.2 0.3 . 1 . . . . . 38 GLY CA . 50917 1 139 . 1 . 1 45 45 GLY N N 15 111.4 0.3 . 1 . . . . . 38 GLY N . 50917 1 140 . 1 . 1 46 46 GLY H H 1 8.94 0.02 . 1 . . . . . 39 GLY H . 50917 1 141 . 1 . 1 46 46 GLY C C 13 172.0 0.3 . 1 . . . . . 39 GLY C . 50917 1 142 . 1 . 1 46 46 GLY CA C 13 43.9 0.3 . 1 . . . . . 39 GLY CA . 50917 1 143 . 1 . 1 46 46 GLY N N 15 111.7 0.3 . 1 . . . . . 39 GLY N . 50917 1 144 . 1 . 1 47 47 LYS H H 1 9.76 0.02 . 1 . . . . . 40 LYS H . 50917 1 145 . 1 . 1 47 47 LYS C C 13 176.5 0.3 . 1 . . . . . 40 LYS C . 50917 1 146 . 1 . 1 47 47 LYS CA C 13 55.7 0.3 . 1 . . . . . 40 LYS CA . 50917 1 147 . 1 . 1 47 47 LYS CB C 13 33.7 0.3 . 1 . . . . . 40 LYS CB . 50917 1 148 . 1 . 1 47 47 LYS N N 15 121.7 0.3 . 1 . . . . . 40 LYS N . 50917 1 149 . 1 . 1 48 48 PHE H H 1 9.33 0.02 . 1 . . . . . 41 PHE H . 50917 1 150 . 1 . 1 48 48 PHE C C 13 174.6 0.3 . 1 . . . . . 41 PHE C . 50917 1 151 . 1 . 1 48 48 PHE CA C 13 56.3 0.3 . 1 . . . . . 41 PHE CA . 50917 1 152 . 1 . 1 48 48 PHE CB C 13 39.8 0.3 . 1 . . . . . 41 PHE CB . 50917 1 153 . 1 . 1 48 48 PHE N N 15 119.9 0.3 . 1 . . . . . 41 PHE N . 50917 1 154 . 1 . 1 49 49 ALA H H 1 9.53 0.02 . 1 . . . . . 42 ALA H . 50917 1 155 . 1 . 1 49 49 ALA HA H 1 5.49 0.02 . 1 . . . . . 42 ALA HA . 50917 1 156 . 1 . 1 49 49 ALA HB1 H 1 1.11 0.02 . 1 . . . . . 42 ALA HB . 50917 1 157 . 1 . 1 49 49 ALA HB2 H 1 1.11 0.02 . 1 . . . . . 42 ALA HB . 50917 1 158 . 1 . 1 49 49 ALA HB3 H 1 1.11 0.02 . 1 . . . . . 42 ALA HB . 50917 1 159 . 1 . 1 49 49 ALA C C 13 176.7 0.3 . 1 . . . . . 42 ALA C . 50917 1 160 . 1 . 1 49 49 ALA CA C 13 50.3 0.3 . 1 . . . . . 42 ALA CA . 50917 1 161 . 1 . 1 49 49 ALA CB C 13 19.4 0.3 . 1 . . . . . 42 ALA CB . 50917 1 162 . 1 . 1 49 49 ALA N N 15 122.7 0.3 . 1 . . . . . 42 ALA N . 50917 1 163 . 1 . 1 50 50 THR H H 1 9.49 0.02 . 1 . . . . . 43 THR H . 50917 1 164 . 1 . 1 50 50 THR HA H 1 5.32 0.02 . 1 . . . . . 43 THR HA . 50917 1 165 . 1 . 1 50 50 THR C C 13 173.6 0.3 . 1 . . . . . 43 THR C . 50917 1 166 . 1 . 1 50 50 THR CA C 13 57.3 0.3 . 1 . . . . . 43 THR CA . 50917 1 167 . 1 . 1 50 50 THR CB C 13 71.1 0.3 . 1 . . . . . 43 THR CB . 50917 1 168 . 1 . 1 50 50 THR N N 15 113.9 0.3 . 1 . . . . . 43 THR N . 50917 1 169 . 1 . 1 51 51 VAL H H 1 6.90 0.02 . 1 . . . . . 44 VAL H . 50917 1 170 . 1 . 1 51 51 VAL HA H 1 4.30 0.02 . 1 . . . . . 44 VAL HA . 50917 1 171 . 1 . 1 51 51 VAL HG11 H 1 0.77 0.02 . 1 . . . . . 44 VAL HG1 . 50917 1 172 . 1 . 1 51 51 VAL HG12 H 1 0.77 0.02 . 1 . . . . . 44 VAL HG1 . 50917 1 173 . 1 . 1 51 51 VAL HG13 H 1 0.77 0.02 . 1 . . . . . 44 VAL HG1 . 50917 1 174 . 1 . 1 51 51 VAL C C 13 174.0 0.3 . 1 . . . . . 44 VAL C . 50917 1 175 . 1 . 1 51 51 VAL CA C 13 61.3 0.3 . 1 . . . . . 44 VAL CA . 50917 1 176 . 1 . 1 51 51 VAL CB C 13 37.0 0.3 . 1 . . . . . 44 VAL CB . 50917 1 177 . 1 . 1 51 51 VAL CG1 C 13 21.9 0.3 . 1 . . . . . 44 VAL CG1 . 50917 1 178 . 1 . 1 51 51 VAL CG2 C 13 21.5 0.3 . 1 . . . . . 44 VAL CG2 . 50917 1 179 . 1 . 1 51 51 VAL N N 15 115.8 0.3 . 1 . . . . . 44 VAL N . 50917 1 180 . 1 . 1 52 52 GLU H H 1 9.05 0.02 . 1 . . . . . 45 GLU H . 50917 1 181 . 1 . 1 52 52 GLU HA H 1 5.15 0.02 . 1 . . . . . 45 GLU HA . 50917 1 182 . 1 . 1 52 52 GLU C C 13 175.0 0.3 . 1 . . . . . 45 GLU C . 50917 1 183 . 1 . 1 52 52 GLU CA C 13 55.0 0.3 . 1 . . . . . 45 GLU CA . 50917 1 184 . 1 . 1 52 52 GLU CB C 13 31.5 0.3 . 1 . . . . . 45 GLU CB . 50917 1 185 . 1 . 1 52 52 GLU N N 15 129.5 0.3 . 1 . . . . . 45 GLU N . 50917 1 186 . 1 . 1 53 53 VAL H H 1 8.75 0.02 . 1 . . . . . 46 VAL H . 50917 1 187 . 1 . 1 53 53 VAL HA H 1 4.41 0.02 . 1 . . . . . 46 VAL HA . 50917 1 188 . 1 . 1 53 53 VAL C C 13 175.3 0.3 . 1 . . . . . 46 VAL C . 50917 1 189 . 1 . 1 53 53 VAL CA C 13 61.5 0.3 . 1 . . . . . 46 VAL CA . 50917 1 190 . 1 . 1 53 53 VAL CB C 13 34.4 0.3 . 1 . . . . . 46 VAL CB . 50917 1 191 . 1 . 1 53 53 VAL CG1 C 13 21.2 0.3 . 1 . . . . . 46 VAL CG1 . 50917 1 192 . 1 . 1 53 53 VAL N N 15 126.0 0.3 . 1 . . . . . 46 VAL N . 50917 1 193 . 1 . 1 54 54 THR H H 1 8.68 0.02 . 1 . . . . . 47 THR H . 50917 1 194 . 1 . 1 54 54 THR HA H 1 4.72 0.02 . 1 . . . . . 47 THR HA . 50917 1 195 . 1 . 1 54 54 THR C C 13 173.3 0.3 . 1 . . . . . 47 THR C . 50917 1 196 . 1 . 1 54 54 THR CA C 13 61.0 0.3 . 1 . . . . . 47 THR CA . 50917 1 197 . 1 . 1 54 54 THR CB C 13 70.8 0.3 . 1 . . . . . 47 THR CB . 50917 1 198 . 1 . 1 54 54 THR N N 15 119.7 0.3 . 1 . . . . . 47 THR N . 50917 1 199 . 1 . 1 55 55 ASP H H 1 8.15 0.02 . 1 . . . . . 48 ASP H . 50917 1 200 . 1 . 1 55 55 ASP HA H 1 4.36 0.02 . 1 . . . . . 48 ASP HA . 50917 1 201 . 1 . 1 55 55 ASP C C 13 174.6 0.3 . 1 . . . . . 48 ASP C . 50917 1 202 . 1 . 1 55 55 ASP CA C 13 56.7 0.3 . 1 . . . . . 48 ASP CA . 50917 1 203 . 1 . 1 55 55 ASP CB C 13 39.1 0.3 . 1 . . . . . 48 ASP CB . 50917 1 204 . 1 . 1 55 55 ASP N N 15 114.9 0.3 . 1 . . . . . 48 ASP N . 50917 1 205 . 1 . 1 56 56 LYS H H 1 7.73 0.02 . 1 . . . . . 49 LYS H . 50917 1 206 . 1 . 1 56 56 LYS HA H 1 4.86 0.02 . 1 . . . . . 49 LYS HA . 50917 1 207 . 1 . 1 56 56 LYS C C 13 172.7 0.3 . 1 . . . . . 49 LYS C . 50917 1 208 . 1 . 1 56 56 LYS CA C 13 53.5 0.3 . 1 . . . . . 49 LYS CA . 50917 1 209 . 1 . 1 56 56 LYS CB C 13 33.9 0.3 . 1 . . . . . 49 LYS CB . 50917 1 210 . 1 . 1 56 56 LYS N N 15 118.1 0.3 . 1 . . . . . 49 LYS N . 50917 1 211 . 1 . 1 58 58 VAL H H 1 8.46 0.02 . 1 . . . . . 51 VAL H . 50917 1 212 . 1 . 1 58 58 VAL C C 13 176.6 0.3 . 1 . . . . . 51 VAL C . 50917 1 213 . 1 . 1 58 58 VAL CA C 13 67.7 0.3 . 1 . . . . . 51 VAL CA . 50917 1 214 . 1 . 1 58 58 VAL CB C 13 31.8 0.3 . 1 . . . . . 51 VAL CB . 50917 1 215 . 1 . 1 58 58 VAL N N 15 121.7 0.3 . 1 . . . . . 51 VAL N . 50917 1 216 . 1 . 1 59 59 ASP H H 1 9.19 0.02 . 1 . . . . . 52 ASP H . 50917 1 217 . 1 . 1 59 59 ASP C C 13 179.3 0.3 . 1 . . . . . 52 ASP C . 50917 1 218 . 1 . 1 59 59 ASP CA C 13 58.9 0.3 . 1 . . . . . 52 ASP CA . 50917 1 219 . 1 . 1 59 59 ASP CB C 13 40.2 0.3 . 1 . . . . . 52 ASP CB . 50917 1 220 . 1 . 1 59 59 ASP N N 15 116.7 0.3 . 1 . . . . . 52 ASP N . 50917 1 221 . 1 . 1 60 60 GLU H H 1 7.13 0.02 . 1 . . . . . 53 GLU H . 50917 1 222 . 1 . 1 60 60 GLU HA H 1 4.03 0.02 . 1 . . . . . 53 GLU HA . 50917 1 223 . 1 . 1 60 60 GLU C C 13 179.0 0.3 . 1 . . . . . 53 GLU C . 50917 1 224 . 1 . 1 60 60 GLU CA C 13 58.5 0.3 . 1 . . . . . 53 GLU CA . 50917 1 225 . 1 . 1 60 60 GLU N N 15 118.8 0.3 . 1 . . . . . 53 GLU N . 50917 1 226 . 1 . 1 61 61 ALA H H 1 8.82 0.02 . 1 . . . . . 54 ALA H . 50917 1 227 . 1 . 1 61 61 ALA HA H 1 4.69 0.02 . 1 . . . . . 54 ALA HA . 50917 1 228 . 1 . 1 61 61 ALA C C 13 179.7 0.3 . 1 . . . . . 54 ALA C . 50917 1 229 . 1 . 1 61 61 ALA CA C 13 55.2 0.3 . 1 . . . . . 54 ALA CA . 50917 1 230 . 1 . 1 61 61 ALA CB C 13 18.5 0.3 . 1 . . . . . 54 ALA CB . 50917 1 231 . 1 . 1 61 61 ALA N N 15 123.8 0.3 . 1 . . . . . 54 ALA N . 50917 1 232 . 1 . 1 62 62 LEU H H 1 8.54 0.02 . 1 . . . . . 55 LEU H . 50917 1 233 . 1 . 1 62 62 LEU HA H 1 4.99 0.02 . 1 . . . . . 55 LEU HA . 50917 1 234 . 1 . 1 62 62 LEU C C 13 179.0 0.3 . 1 . . . . . 55 LEU C . 50917 1 235 . 1 . 1 62 62 LEU CA C 13 58.3 0.3 . 1 . . . . . 55 LEU CA . 50917 1 236 . 1 . 1 62 62 LEU CB C 13 41.5 0.3 . 1 . . . . . 55 LEU CB . 50917 1 237 . 1 . 1 62 62 LEU N N 15 118.8 0.3 . 1 . . . . . 55 LEU N . 50917 1 238 . 1 . 1 63 63 ARG H H 1 6.98 0.02 . 1 . . . . . 56 ARG H . 50917 1 239 . 1 . 1 63 63 ARG HA H 1 3.98 0.02 . 1 . . . . . 56 ARG HA . 50917 1 240 . 1 . 1 63 63 ARG C C 13 177.3 0.3 . 1 . . . . . 56 ARG C . 50917 1 241 . 1 . 1 63 63 ARG CA C 13 58.7 0.3 . 1 . . . . . 56 ARG CA . 50917 1 242 . 1 . 1 63 63 ARG CB C 13 29.5 0.3 . 1 . . . . . 56 ARG CB . 50917 1 243 . 1 . 1 63 63 ARG N N 15 116.9 0.3 . 1 . . . . . 56 ARG N . 50917 1 244 . 1 . 1 64 64 GLU H H 1 7.16 0.02 . 1 . . . . . 57 GLU H . 50917 1 245 . 1 . 1 64 64 GLU HA H 1 4.21 0.02 . 1 . . . . . 57 GLU HA . 50917 1 246 . 1 . 1 64 64 GLU C C 13 178.2 0.3 . 1 . . . . . 57 GLU C . 50917 1 247 . 1 . 1 64 64 GLU CA C 13 57.5 0.3 . 1 . . . . . 57 GLU CA . 50917 1 248 . 1 . 1 64 64 GLU CB C 13 29.8 0.3 . 1 . . . . . 57 GLU CB . 50917 1 249 . 1 . 1 64 64 GLU N N 15 116.0 0.3 . 1 . . . . . 57 GLU N . 50917 1 250 . 1 . 1 65 65 ALA H H 1 8.41 0.02 . 1 . . . . . 58 ALA H . 50917 1 251 . 1 . 1 65 65 ALA C C 13 179.1 0.3 . 1 . . . . . 58 ALA C . 50917 1 252 . 1 . 1 65 65 ALA CA C 13 55.1 0.3 . 1 . . . . . 58 ALA CA . 50917 1 253 . 1 . 1 65 65 ALA CB C 13 20.4 0.3 . 1 . . . . . 58 ALA CB . 50917 1 254 . 1 . 1 65 65 ALA N N 15 119.7 0.3 . 1 . . . . . 58 ALA N . 50917 1 255 . 1 . 1 66 66 MET H H 1 8.19 0.02 . 1 . . . . . 59 MET H . 50917 1 256 . 1 . 1 66 66 MET HA H 1 4.65 0.02 . 1 . . . . . 59 MET HA . 50917 1 257 . 1 . 1 66 66 MET C C 13 176.6 0.3 . 1 . . . . . 59 MET C . 50917 1 258 . 1 . 1 66 66 MET CA C 13 59.1 0.3 . 1 . . . . . 59 MET CA . 50917 1 259 . 1 . 1 66 66 MET CB C 13 28.2 0.3 . 1 . . . . . 59 MET CB . 50917 1 260 . 1 . 1 66 66 MET N N 15 114.8 0.3 . 1 . . . . . 59 MET N . 50917 1 261 . 1 . 1 68 68 LYS H H 1 6.77 0.02 . 1 . . . . . 61 LYS H . 50917 1 262 . 1 . 1 68 68 LYS HA H 1 3.96 0.02 . 1 . . . . . 61 LYS HA . 50917 1 263 . 1 . 1 68 68 LYS C C 13 180.3 0.3 . 1 . . . . . 61 LYS C . 50917 1 264 . 1 . 1 68 68 LYS CA C 13 59.9 0.3 . 1 . . . . . 61 LYS CA . 50917 1 265 . 1 . 1 68 68 LYS CB C 13 31.7 0.3 . 1 . . . . . 61 LYS CB . 50917 1 266 . 1 . 1 68 68 LYS N N 15 113.3 0.3 . 1 . . . . . 61 LYS N . 50917 1 267 . 1 . 1 69 69 VAL H H 1 7.21 0.02 . 1 . . . . . 62 VAL H . 50917 1 268 . 1 . 1 69 69 VAL HA H 1 3.44 0.02 . 1 . . . . . 62 VAL HA . 50917 1 269 . 1 . 1 69 69 VAL C C 13 176.2 0.3 . 1 . . . . . 62 VAL C . 50917 1 270 . 1 . 1 69 69 VAL CA C 13 66.1 0.3 . 1 . . . . . 62 VAL CA . 50917 1 271 . 1 . 1 69 69 VAL CB C 13 30.2 0.3 . 1 . . . . . 62 VAL CB . 50917 1 272 . 1 . 1 69 69 VAL CG1 C 13 21.9 0.3 . 1 . . . . . 62 VAL CG1 . 50917 1 273 . 1 . 1 69 69 VAL N N 15 118.0 0.3 . 1 . . . . . 62 VAL N . 50917 1 274 . 1 . 1 70 70 ALA H H 1 7.50 0.02 . 1 . . . . . 63 ALA H . 50917 1 275 . 1 . 1 70 70 ALA C C 13 174.7 0.3 . 1 . . . . . 63 ALA C . 50917 1 276 . 1 . 1 70 70 ALA CA C 13 55.0 0.3 . 1 . . . . . 63 ALA CA . 50917 1 277 . 1 . 1 70 70 ALA CB C 13 17.0 0.3 . 1 . . . . . 63 ALA CB . 50917 1 278 . 1 . 1 70 70 ALA N N 15 121.2 0.3 . 1 . . . . . 63 ALA N . 50917 1 279 . 1 . 1 71 71 LYS H H 1 8.19 0.02 . 1 . . . . . 64 LYS H . 50917 1 280 . 1 . 1 71 71 LYS C C 13 179.1 0.3 . 1 . . . . . 64 LYS C . 50917 1 281 . 1 . 1 71 71 LYS CA C 13 59.6 0.3 . 1 . . . . . 64 LYS CA . 50917 1 282 . 1 . 1 71 71 LYS CB C 13 30.9 0.3 . 1 . . . . . 64 LYS CB . 50917 1 283 . 1 . 1 71 71 LYS N N 15 118.1 0.3 . 1 . . . . . 64 LYS N . 50917 1 284 . 1 . 1 72 72 TYR H H 1 7.47 0.02 . 1 . . . . . 65 TYR H . 50917 1 285 . 1 . 1 72 72 TYR C C 13 176.7 0.3 . 1 . . . . . 65 TYR C . 50917 1 286 . 1 . 1 72 72 TYR CA C 13 60.8 0.3 . 1 . . . . . 65 TYR CA . 50917 1 287 . 1 . 1 72 72 TYR CB C 13 37.0 0.3 . 1 . . . . . 65 TYR CB . 50917 1 288 . 1 . 1 72 72 TYR N N 15 122.1 0.3 . 1 . . . . . 65 TYR N . 50917 1 289 . 1 . 1 73 73 ALA H H 1 7.85 0.02 . 1 . . . . . 66 ALA H . 50917 1 290 . 1 . 1 73 73 ALA C C 13 177.7 0.3 . 1 . . . . . 66 ALA C . 50917 1 291 . 1 . 1 73 73 ALA CA C 13 53.9 0.3 . 1 . . . . . 66 ALA CA . 50917 1 292 . 1 . 1 73 73 ALA CB C 13 17.3 0.3 . 1 . . . . . 66 ALA CB . 50917 1 293 . 1 . 1 73 73 ALA N N 15 120.4 0.3 . 1 . . . . . 66 ALA N . 50917 1 294 . 1 . 1 74 74 GLY H H 1 7.59 0.02 . 1 . . . . . 67 GLY H . 50917 1 295 . 1 . 1 74 74 GLY HA2 H 1 4.19 0.02 . 1 . . . . . 67 GLY HA2 . 50917 1 296 . 1 . 1 74 74 GLY HA3 H 1 4.49 0.02 . 2 . . . . . 67 GLY HA3 . 50917 1 297 . 1 . 1 74 74 GLY C C 13 174.5 0.3 . 1 . . . . . 67 GLY C . 50917 1 298 . 1 . 1 74 74 GLY CA C 13 44.7 0.3 . 1 . . . . . 67 GLY CA . 50917 1 299 . 1 . 1 74 74 GLY N N 15 102.9 0.3 . 1 . . . . . 67 GLY N . 50917 1 300 . 1 . 1 75 75 GLY H H 1 6.78 0.02 . 1 . . . . . 68 GLY H . 50917 1 301 . 1 . 1 75 75 GLY HA2 H 1 3.12 0.02 . 1 . . . . . 68 GLY HA2 . 50917 1 302 . 1 . 1 75 75 GLY HA3 H 1 4.34 0.02 . 2 . . . . . 68 GLY HA3 . 50917 1 303 . 1 . 1 75 75 GLY CA C 13 44.5 0.3 . 1 . . . . . 68 GLY CA . 50917 1 304 . 1 . 1 75 75 GLY N N 15 105.3 0.3 . 1 . . . . . 68 GLY N . 50917 1 305 . 1 . 1 76 76 THR H H 1 8.59 0.02 . 1 . . . . . 69 THR H . 50917 1 306 . 1 . 1 76 76 THR HA H 1 4.45 0.02 . 1 . . . . . 69 THR HA . 50917 1 307 . 1 . 1 76 76 THR C C 13 173.6 0.3 . 1 . . . . . 69 THR C . 50917 1 308 . 1 . 1 76 76 THR CA C 13 61.2 0.3 . 1 . . . . . 69 THR CA . 50917 1 309 . 1 . 1 76 76 THR CB C 13 65.8 0.3 . 1 . . . . . 69 THR CB . 50917 1 310 . 1 . 1 76 76 THR N N 15 122.5 0.3 . 1 . . . . . 69 THR N . 50917 1 311 . 1 . 1 77 77 ASN H H 1 8.28 0.02 . 1 . . . . . 70 ASN H . 50917 1 312 . 1 . 1 77 77 ASN HA H 1 5.14 0.02 . 1 . . . . . 70 ASN HA . 50917 1 313 . 1 . 1 77 77 ASN C C 13 175.9 0.3 . 1 . . . . . 70 ASN C . 50917 1 314 . 1 . 1 77 77 ASN CA C 13 52.1 0.3 . 1 . . . . . 70 ASN CA . 50917 1 315 . 1 . 1 77 77 ASN CB C 13 41.8 0.3 . 1 . . . . . 70 ASN CB . 50917 1 316 . 1 . 1 77 77 ASN N N 15 121.2 0.3 . 1 . . . . . 70 ASN N . 50917 1 317 . 1 . 1 78 78 ASP H H 1 9.31 0.02 . 1 . . . . . 71 ASP H . 50917 1 318 . 1 . 1 78 78 ASP C C 13 176.8 0.3 . 1 . . . . . 71 ASP C . 50917 1 319 . 1 . 1 78 78 ASP CA C 13 57.1 0.3 . 1 . . . . . 71 ASP CA . 50917 1 320 . 1 . 1 78 78 ASP CB C 13 39.7 0.3 . 1 . . . . . 71 ASP CB . 50917 1 321 . 1 . 1 78 78 ASP N N 15 120.1 0.3 . 1 . . . . . 71 ASP N . 50917 1 322 . 1 . 1 79 79 LYS H H 1 7.46 0.02 . 1 . . . . . 72 LYS H . 50917 1 323 . 1 . 1 79 79 LYS HA H 1 4.49 0.02 . 1 . . . . . 72 LYS HA . 50917 1 324 . 1 . 1 79 79 LYS C C 13 176.5 0.3 . 1 . . . . . 72 LYS C . 50917 1 325 . 1 . 1 79 79 LYS CA C 13 54.9 0.3 . 1 . . . . . 72 LYS CA . 50917 1 326 . 1 . 1 79 79 LYS CB C 13 33.2 0.3 . 1 . . . . . 72 LYS CB . 50917 1 327 . 1 . 1 79 79 LYS N N 15 116.8 0.3 . 1 . . . . . 72 LYS N . 50917 1 328 . 1 . 1 80 80 GLY H H 1 7.82 0.02 . 1 . . . . . 73 GLY H . 50917 1 329 . 1 . 1 80 80 GLY HA2 H 1 4.70 0.02 . 1 . . . . . 73 GLY HA2 . 50917 1 330 . 1 . 1 80 80 GLY C C 13 175.0 0.3 . 1 . . . . . 73 GLY C . 50917 1 331 . 1 . 1 80 80 GLY CA C 13 46.4 0.3 . 1 . . . . . 73 GLY CA . 50917 1 332 . 1 . 1 80 80 GLY N N 15 112.1 0.3 . 1 . . . . . 73 GLY N . 50917 1 333 . 1 . 1 81 81 ILE H H 1 7.68 0.02 . 1 . . . . . 74 ILE H . 50917 1 334 . 1 . 1 81 81 ILE HA H 1 4.21 0.02 . 1 . . . . . 74 ILE HA . 50917 1 335 . 1 . 1 81 81 ILE CA C 13 59.6 0.3 . 1 . . . . . 74 ILE CA . 50917 1 336 . 1 . 1 81 81 ILE CB C 13 40.8 0.3 . 1 . . . . . 74 ILE CB . 50917 1 337 . 1 . 1 81 81 ILE N N 15 117.2 0.3 . 1 . . . . . 74 ILE N . 50917 1 338 . 1 . 1 82 82 GLY H H 1 8.53 0.02 . 1 . . . . . 75 GLY H . 50917 1 339 . 1 . 1 82 82 GLY C C 13 173.6 0.3 . 1 . . . . . 75 GLY C . 50917 1 340 . 1 . 1 82 82 GLY CA C 13 44.9 0.3 . 1 . . . . . 75 GLY CA . 50917 1 341 . 1 . 1 82 82 GLY N N 15 114.4 0.3 . 1 . . . . . 75 GLY N . 50917 1 342 . 1 . 1 83 83 MET H H 1 8.53 0.02 . 1 . . . . . 76 MET H . 50917 1 343 . 1 . 1 83 83 MET HA H 1 4.10 0.02 . 1 . . . . . 76 MET HA . 50917 1 344 . 1 . 1 83 83 MET C C 13 175.9 0.3 . 1 . . . . . 76 MET C . 50917 1 345 . 1 . 1 83 83 MET CA C 13 55.7 0.3 . 1 . . . . . 76 MET CA . 50917 1 346 . 1 . 1 83 83 MET CB C 13 29.5 0.3 . 1 . . . . . 76 MET CB . 50917 1 347 . 1 . 1 83 83 MET N N 15 123.2 0.3 . 1 . . . . . 76 MET N . 50917 1 348 . 1 . 1 84 84 GLY H H 1 7.60 0.02 . 1 . . . . . 77 GLY H . 50917 1 349 . 1 . 1 84 84 GLY HA2 H 1 4.32 0.02 . 1 . . . . . 77 GLY HA2 . 50917 1 350 . 1 . 1 84 84 GLY CA C 13 44.5 0.3 . 1 . . . . . 77 GLY CA . 50917 1 351 . 1 . 1 84 84 GLY N N 15 106.9 0.3 . 1 . . . . . 77 GLY N . 50917 1 352 . 1 . 1 85 85 MET H H 1 7.82 0.02 . 1 . . . . . 78 MET H . 50917 1 353 . 1 . 1 85 85 MET HA H 1 4.99 0.02 . 1 . . . . . 78 MET HA . 50917 1 354 . 1 . 1 85 85 MET C C 13 174.2 0.3 . 1 . . . . . 78 MET C . 50917 1 355 . 1 . 1 85 85 MET CA C 13 53.9 0.3 . 1 . . . . . 78 MET CA . 50917 1 356 . 1 . 1 85 85 MET CB C 13 32.8 0.3 . 1 . . . . . 78 MET CB . 50917 1 357 . 1 . 1 85 85 MET N N 15 112.3 0.3 . 1 . . . . . 78 MET N . 50917 1 358 . 1 . 1 86 86 THR H H 1 8.54 0.02 . 1 . . . . . 79 THR H . 50917 1 359 . 1 . 1 86 86 THR HA H 1 4.98 0.02 . 1 . . . . . 79 THR HA . 50917 1 360 . 1 . 1 86 86 THR CA C 13 61.2 0.3 . 1 . . . . . 79 THR CA . 50917 1 361 . 1 . 1 86 86 THR CB C 13 69.1 0.3 . 1 . . . . . 79 THR CB . 50917 1 362 . 1 . 1 86 86 THR N N 15 119.0 0.3 . 1 . . . . . 79 THR N . 50917 1 363 . 1 . 1 87 87 VAL H H 1 6.26 0.02 . 1 . . . . . 80 VAL H . 50917 1 364 . 1 . 1 87 87 VAL HA H 1 5.00 0.02 . 1 . . . . . 80 VAL HA . 50917 1 365 . 1 . 1 87 87 VAL C C 13 180.7 0.3 . 1 . . . . . 80 VAL C . 50917 1 366 . 1 . 1 87 87 VAL CA C 13 61.7 0.3 . 1 . . . . . 80 VAL CA . 50917 1 367 . 1 . 1 87 87 VAL N N 15 119.4 0.3 . 1 . . . . . 80 VAL N . 50917 1 368 . 1 . 1 90 90 SER H H 1 8.17 0.02 . 1 . . . . . 83 SER H . 50917 1 369 . 1 . 1 90 90 SER CA C 13 60.5 0.3 . 1 . . . . . 83 SER CA . 50917 1 370 . 1 . 1 90 90 SER CB C 13 62.8 0.3 . 1 . . . . . 83 SER CB . 50917 1 371 . 1 . 1 90 90 SER N N 15 109.8 0.3 . 1 . . . . . 83 SER N . 50917 1 372 . 1 . 1 91 91 PHE H H 1 7.17 0.02 . 1 . . . . . 84 PHE H . 50917 1 373 . 1 . 1 91 91 PHE HA H 1 5.59 0.02 . 1 . . . . . 84 PHE HA . 50917 1 374 . 1 . 1 91 91 PHE C C 13 172.6 0.3 . 1 . . . . . 84 PHE C . 50917 1 375 . 1 . 1 91 91 PHE CA C 13 55.3 0.3 . 1 . . . . . 84 PHE CA . 50917 1 376 . 1 . 1 91 91 PHE CB C 13 39.9 0.3 . 1 . . . . . 84 PHE CB . 50917 1 377 . 1 . 1 91 91 PHE N N 15 117.5 0.3 . 1 . . . . . 84 PHE N . 50917 1 378 . 1 . 1 92 92 ALA H H 1 9.99 0.02 . 1 . . . . . 85 ALA H . 50917 1 379 . 1 . 1 92 92 ALA HA H 1 4.44 0.02 . 1 . . . . . 85 ALA HA . 50917 1 380 . 1 . 1 92 92 ALA C C 13 175.5 0.3 . 1 . . . . . 85 ALA C . 50917 1 381 . 1 . 1 92 92 ALA CA C 13 51.0 0.3 . 1 . . . . . 85 ALA CA . 50917 1 382 . 1 . 1 92 92 ALA CB C 13 20.9 0.3 . 1 . . . . . 85 ALA CB . 50917 1 383 . 1 . 1 92 92 ALA N N 15 126.5 0.3 . 1 . . . . . 85 ALA N . 50917 1 384 . 1 . 1 93 93 VAL H H 1 7.86 0.02 . 1 . . . . . 86 VAL H . 50917 1 385 . 1 . 1 93 93 VAL HA H 1 4.44 0.02 . 1 . . . . . 86 VAL HA . 50917 1 386 . 1 . 1 93 93 VAL C C 13 173.6 0.3 . 1 . . . . . 86 VAL C . 50917 1 387 . 1 . 1 93 93 VAL CA C 13 59.1 0.3 . 1 . . . . . 86 VAL CA . 50917 1 388 . 1 . 1 93 93 VAL CB C 13 33.0 0.3 . 1 . . . . . 86 VAL CB . 50917 1 389 . 1 . 1 93 93 VAL N N 15 111.7 0.3 . 1 . . . . . 86 VAL N . 50917 1 390 . 1 . 1 94 94 PHE H H 1 9.00 0.02 . 1 . . . . . 87 PHE H . 50917 1 391 . 1 . 1 94 94 PHE HA H 1 4.96 0.02 . 1 . . . . . 87 PHE HA . 50917 1 392 . 1 . 1 94 94 PHE C C 13 173.7 0.3 . 1 . . . . . 87 PHE C . 50917 1 393 . 1 . 1 94 94 PHE CA C 13 55.3 0.3 . 1 . . . . . 87 PHE CA . 50917 1 394 . 1 . 1 94 94 PHE CB C 13 39.9 0.3 . 1 . . . . . 87 PHE CB . 50917 1 395 . 1 . 1 94 94 PHE N N 15 116.4 0.3 . 1 . . . . . 87 PHE N . 50917 1 396 . 1 . 1 98 98 ASP H H 1 7.75 0.02 . 1 . . . . . 91 ASP H . 50917 1 397 . 1 . 1 98 98 ASP HA H 1 4.69 0.02 . 1 . . . . . 91 ASP HA . 50917 1 398 . 1 . 1 98 98 ASP C C 13 177.0 0.3 . 1 . . . . . 91 ASP C . 50917 1 399 . 1 . 1 98 98 ASP CA C 13 53.4 0.3 . 1 . . . . . 91 ASP CA . 50917 1 400 . 1 . 1 98 98 ASP CB C 13 39.5 0.3 . 1 . . . . . 91 ASP CB . 50917 1 401 . 1 . 1 98 98 ASP N N 15 114.7 0.3 . 1 . . . . . 91 ASP N . 50917 1 402 . 1 . 1 99 99 GLY H H 1 7.92 0.02 . 1 . . . . . 92 GLY H . 50917 1 403 . 1 . 1 99 99 GLY HA2 H 1 3.57 0.02 . 1 . . . . . 92 GLY HA2 . 50917 1 404 . 1 . 1 99 99 GLY HA3 H 1 4.68 0.02 . 2 . . . . . 92 GLY HA3 . 50917 1 405 . 1 . 1 99 99 GLY C C 13 173.7 0.3 . 1 . . . . . 92 GLY C . 50917 1 406 . 1 . 1 99 99 GLY CA C 13 45.0 0.3 . 1 . . . . . 92 GLY CA . 50917 1 407 . 1 . 1 99 99 GLY N N 15 109.5 0.3 . 1 . . . . . 92 GLY N . 50917 1 408 . 1 . 1 100 100 SER H H 1 8.05 0.02 . 1 . . . . . 93 SER H . 50917 1 409 . 1 . 1 100 100 SER HA H 1 4.27 0.02 . 1 . . . . . 93 SER HA . 50917 1 410 . 1 . 1 100 100 SER C C 13 172.9 0.3 . 1 . . . . . 93 SER C . 50917 1 411 . 1 . 1 100 100 SER CA C 13 58.6 0.3 . 1 . . . . . 93 SER CA . 50917 1 412 . 1 . 1 100 100 SER CB C 13 64.0 0.3 . 1 . . . . . 93 SER CB . 50917 1 413 . 1 . 1 100 100 SER N N 15 115.0 0.3 . 1 . . . . . 93 SER N . 50917 1 414 . 1 . 1 101 101 LEU H H 1 8.72 0.02 . 1 . . . . . 94 LEU H . 50917 1 415 . 1 . 1 101 101 LEU HA H 1 4.73 0.02 . 1 . . . . . 94 LEU HA . 50917 1 416 . 1 . 1 101 101 LEU C C 13 178.6 0.3 . 1 . . . . . 94 LEU C . 50917 1 417 . 1 . 1 101 101 LEU CA C 13 54.4 0.3 . 1 . . . . . 94 LEU CA . 50917 1 418 . 1 . 1 101 101 LEU CB C 13 40.9 0.3 . 1 . . . . . 94 LEU CB . 50917 1 419 . 1 . 1 101 101 LEU N N 15 118.3 0.3 . 1 . . . . . 94 LEU N . 50917 1 420 . 1 . 1 102 102 GLN H H 1 8.38 0.02 . 1 . . . . . 95 GLN H . 50917 1 421 . 1 . 1 102 102 GLN HA H 1 4.01 0.02 . 1 . . . . . 95 GLN HA . 50917 1 422 . 1 . 1 102 102 GLN C C 13 177.7 0.3 . 1 . . . . . 95 GLN C . 50917 1 423 . 1 . 1 102 102 GLN CA C 13 56.0 0.3 . 1 . . . . . 95 GLN CA . 50917 1 424 . 1 . 1 102 102 GLN CB C 13 29.7 0.3 . 1 . . . . . 95 GLN CB . 50917 1 425 . 1 . 1 102 102 GLN N N 15 119.8 0.3 . 1 . . . . . 95 GLN N . 50917 1 426 . 1 . 1 104 104 LYS H H 1 7.78 0.02 . 1 . . . . . 97 LYS H . 50917 1 427 . 1 . 1 104 104 LYS HA H 1 4.76 0.02 . 1 . . . . . 97 LYS HA . 50917 1 428 . 1 . 1 104 104 LYS C C 13 173.3 0.3 . 1 . . . . . 97 LYS C . 50917 1 429 . 1 . 1 104 104 LYS CA C 13 56.5 0.3 . 1 . . . . . 97 LYS CA . 50917 1 430 . 1 . 1 104 104 LYS CB C 13 34.6 0.3 . 1 . . . . . 97 LYS CB . 50917 1 431 . 1 . 1 104 104 LYS N N 15 121.5 0.3 . 1 . . . . . 97 LYS N . 50917 1 432 . 1 . 1 105 105 LEU H H 1 8.58 0.02 . 1 . . . . . 98 LEU H . 50917 1 433 . 1 . 1 105 105 LEU HA H 1 5.30 0.02 . 1 . . . . . 98 LEU HA . 50917 1 434 . 1 . 1 105 105 LEU C C 13 175.6 0.3 . 1 . . . . . 98 LEU C . 50917 1 435 . 1 . 1 105 105 LEU CA C 13 55.2 0.3 . 1 . . . . . 98 LEU CA . 50917 1 436 . 1 . 1 105 105 LEU CB C 13 46.1 0.3 . 1 . . . . . 98 LEU CB . 50917 1 437 . 1 . 1 105 105 LEU N N 15 123.5 0.3 . 1 . . . . . 98 LEU N . 50917 1 438 . 1 . 1 106 106 LYS H H 1 8.28 0.02 . 1 . . . . . 99 LYS H . 50917 1 439 . 1 . 1 106 106 LYS HA H 1 5.46 0.02 . 1 . . . . . 99 LYS HA . 50917 1 440 . 1 . 1 106 106 LYS C C 13 175.3 0.3 . 1 . . . . . 99 LYS C . 50917 1 441 . 1 . 1 106 106 LYS CA C 13 56.0 0.3 . 1 . . . . . 99 LYS CA . 50917 1 442 . 1 . 1 106 106 LYS CB C 13 35.6 0.3 . 1 . . . . . 99 LYS CB . 50917 1 443 . 1 . 1 106 106 LYS N N 15 124.1 0.3 . 1 . . . . . 99 LYS N . 50917 1 444 . 1 . 1 107 107 VAL H H 1 9.34 0.02 . 1 . . . . . 100 VAL H . 50917 1 445 . 1 . 1 107 107 VAL HA H 1 3.24 0.02 . 1 . . . . . 100 VAL HA . 50917 1 446 . 1 . 1 107 107 VAL C C 13 173.9 0.3 . 1 . . . . . 100 VAL C . 50917 1 447 . 1 . 1 107 107 VAL CA C 13 63.4 0.3 . 1 . . . . . 100 VAL CA . 50917 1 448 . 1 . 1 107 107 VAL CB C 13 32.8 0.3 . 1 . . . . . 100 VAL CB . 50917 1 449 . 1 . 1 107 107 VAL N N 15 130.3 0.3 . 1 . . . . . 100 VAL N . 50917 1 450 . 1 . 1 108 108 TRP H H 1 9.08 0.02 . 1 . . . . . 101 TRP H . 50917 1 451 . 1 . 1 108 108 TRP HA H 1 3.77 0.02 . 1 . . . . . 101 TRP HA . 50917 1 452 . 1 . 1 108 108 TRP CA C 13 57.6 0.3 . 1 . . . . . 101 TRP CA . 50917 1 453 . 1 . 1 108 108 TRP CB C 13 29.9 0.3 . 1 . . . . . 101 TRP CB . 50917 1 454 . 1 . 1 108 108 TRP N N 15 125.0 0.3 . 1 . . . . . 101 TRP N . 50917 1 455 . 1 . 1 113 113 ASN H H 1 10.03 0.02 . 1 . . . . . 106 ASN H . 50917 1 456 . 1 . 1 113 113 ASN C C 13 178.1 0.3 . 1 . . . . . 106 ASN C . 50917 1 457 . 1 . 1 113 113 ASN CA C 13 57.2 0.3 . 1 . . . . . 106 ASN CA . 50917 1 458 . 1 . 1 113 113 ASN N N 15 123.2 0.3 . 1 . . . . . 106 ASN N . 50917 1 459 . 1 . 1 114 114 GLN H H 1 9.56 0.02 . 1 . . . . . 107 GLN H . 50917 1 460 . 1 . 1 114 114 GLN HA H 1 4.681 0.02 . 1 . . . . . 107 GLN HA . 50917 1 461 . 1 . 1 114 114 GLN C C 13 175.9 0.3 . 1 . . . . . 107 GLN C . 50917 1 462 . 1 . 1 114 114 GLN CA C 13 58.2 0.3 . 1 . . . . . 107 GLN CA . 50917 1 463 . 1 . 1 114 114 GLN CB C 13 27.4 0.3 . 1 . . . . . 107 GLN CB . 50917 1 464 . 1 . 1 114 114 GLN N N 15 118.9 0.3 . 1 . . . . . 107 GLN N . 50917 1 465 . 1 . 1 115 115 PHE H H 1 8.09 0.02 . 1 . . . . . 108 PHE H . 50917 1 466 . 1 . 1 115 115 PHE HA H 1 4.58 0.02 . 1 . . . . . 108 PHE HA . 50917 1 467 . 1 . 1 115 115 PHE C C 13 174.5 0.3 . 1 . . . . . 108 PHE C . 50917 1 468 . 1 . 1 115 115 PHE CA C 13 57.6 0.3 . 1 . . . . . 108 PHE CA . 50917 1 469 . 1 . 1 115 115 PHE N N 15 115.3 0.3 . 1 . . . . . 108 PHE N . 50917 1 470 . 1 . 1 116 116 GLN H H 1 7.13 0.02 . 1 . . . . . 109 GLN H . 50917 1 471 . 1 . 1 116 116 GLN C C 13 177.0 0.3 . 1 . . . . . 109 GLN C . 50917 1 472 . 1 . 1 116 116 GLN CA C 13 59.6 0.3 . 1 . . . . . 109 GLN CA . 50917 1 473 . 1 . 1 116 116 GLN CB C 13 28.0 0.3 . 1 . . . . . 109 GLN CB . 50917 1 474 . 1 . 1 116 116 GLN N N 15 118.9 0.3 . 1 . . . . . 109 GLN N . 50917 1 475 . 1 . 1 121 121 ALA H H 1 8.87 0.02 . 1 . . . . . 114 ALA H . 50917 1 476 . 1 . 1 121 121 ALA C C 13 176.3 0.3 . 1 . . . . . 114 ALA C . 50917 1 477 . 1 . 1 121 121 ALA CA C 13 50.3 0.3 . 1 . . . . . 114 ALA CA . 50917 1 478 . 1 . 1 121 121 ALA CB C 13 17.6 0.3 . 1 . . . . . 114 ALA CB . 50917 1 479 . 1 . 1 121 121 ALA N N 15 128.6 0.3 . 1 . . . . . 114 ALA N . 50917 1 480 . 1 . 1 123 123 SER H H 1 7.41 0.02 . 1 . . . . . 116 SER H . 50917 1 481 . 1 . 1 123 123 SER HA H 1 4.69 0.02 . 1 . . . . . 116 SER HA . 50917 1 482 . 1 . 1 123 123 SER C C 13 173.6 0.3 . 1 . . . . . 116 SER C . 50917 1 483 . 1 . 1 123 123 SER CA C 13 59.6 0.3 . 1 . . . . . 116 SER CA . 50917 1 484 . 1 . 1 123 123 SER CB C 13 62.4 0.3 . 1 . . . . . 116 SER CB . 50917 1 485 . 1 . 1 123 123 SER N N 15 119.2 0.3 . 1 . . . . . 116 SER N . 50917 1 486 . 1 . 1 124 124 ASP H H 1 8.29 0.02 . 1 . . . . . 117 ASP H . 50917 1 487 . 1 . 1 124 124 ASP HA H 1 6.93 0.02 . 1 . . . . . 117 ASP HA . 50917 1 488 . 1 . 1 124 124 ASP C C 13 176.4 0.3 . 1 . . . . . 117 ASP C . 50917 1 489 . 1 . 1 124 124 ASP CA C 13 52.9 0.3 . 1 . . . . . 117 ASP CA . 50917 1 490 . 1 . 1 124 124 ASP N N 15 123.3 0.3 . 1 . . . . . 117 ASP N . 50917 1 491 . 1 . 1 125 125 LYS H H 1 8.36 0.02 . 1 . . . . . 118 LYS H . 50917 1 492 . 1 . 1 125 125 LYS HA H 1 4.16 0.02 . 1 . . . . . 118 LYS HA . 50917 1 493 . 1 . 1 125 125 LYS C C 13 177.3 0.3 . 1 . . . . . 118 LYS C . 50917 1 494 . 1 . 1 125 125 LYS CA C 13 57.4 0.3 . 1 . . . . . 118 LYS CA . 50917 1 495 . 1 . 1 125 125 LYS N N 15 123.0 0.3 . 1 . . . . . 118 LYS N . 50917 1 496 . 1 . 1 126 126 SER H H 1 8.85 0.02 . 1 . . . . . 119 SER H . 50917 1 497 . 1 . 1 126 126 SER HA H 1 4.28 0.02 . 1 . . . . . 119 SER HA . 50917 1 498 . 1 . 1 126 126 SER CA C 13 60.3 0.3 . 1 . . . . . 119 SER CA . 50917 1 499 . 1 . 1 126 126 SER CB C 13 63.3 0.3 . 1 . . . . . 119 SER CB . 50917 1 500 . 1 . 1 126 126 SER N N 15 115.4 0.3 . 1 . . . . . 119 SER N . 50917 1 501 . 1 . 1 127 127 VAL H H 1 7.89 0.02 . 1 . . . . . 120 VAL H . 50917 1 502 . 1 . 1 127 127 VAL HA H 1 4.44 0.02 . 1 . . . . . 120 VAL HA . 50917 1 503 . 1 . 1 127 127 VAL C C 13 174.2 0.3 . 1 . . . . . 120 VAL C . 50917 1 504 . 1 . 1 127 127 VAL CA C 13 61.0 0.3 . 1 . . . . . 120 VAL CA . 50917 1 505 . 1 . 1 127 127 VAL CB C 13 30.5 0.3 . 1 . . . . . 120 VAL CB . 50917 1 506 . 1 . 1 127 127 VAL N N 15 124.4 0.3 . 1 . . . . . 120 VAL N . 50917 1 507 . 1 . 1 128 128 LYS H H 1 8.66 0.02 . 1 . . . . . 121 LYS H . 50917 1 508 . 1 . 1 128 128 LYS HA H 1 4.52 0.02 . 1 . . . . . 121 LYS HA . 50917 1 509 . 1 . 1 128 128 LYS C C 13 175.2 0.3 . 1 . . . . . 121 LYS C . 50917 1 510 . 1 . 1 128 128 LYS CA C 13 53.8 0.3 . 1 . . . . . 121 LYS CA . 50917 1 511 . 1 . 1 128 128 LYS CB C 13 33.7 0.3 . 1 . . . . . 121 LYS CB . 50917 1 512 . 1 . 1 128 128 LYS N N 15 124.6 0.3 . 1 . . . . . 121 LYS N . 50917 1 513 . 1 . 1 129 129 ILE H H 1 8.25 0.02 . 1 . . . . . 122 ILE H . 50917 1 514 . 1 . 1 129 129 ILE HA H 1 5.33 0.02 . 1 . . . . . 122 ILE HA . 50917 1 515 . 1 . 1 129 129 ILE C C 13 177.0 0.3 . 1 . . . . . 122 ILE C . 50917 1 516 . 1 . 1 129 129 ILE CA C 13 57.7 0.3 . 1 . . . . . 122 ILE CA . 50917 1 517 . 1 . 1 129 129 ILE N N 15 120.3 0.3 . 1 . . . . . 122 ILE N . 50917 1 518 . 1 . 1 130 130 GLU H H 1 9.29 0.02 . 1 . . . . . 123 GLU H . 50917 1 519 . 1 . 1 130 130 GLU HA H 1 4.88 0.02 . 1 . . . . . 123 GLU HA . 50917 1 520 . 1 . 1 130 130 GLU HB3 H 1 1.84 0.02 . 1 . . . . . 123 GLU HB3 . 50917 1 521 . 1 . 1 130 130 GLU C C 13 174.2 0.3 . 1 . . . . . 123 GLU C . 50917 1 522 . 1 . 1 130 130 GLU CA C 13 55.1 0.3 . 1 . . . . . 123 GLU CA . 50917 1 523 . 1 . 1 130 130 GLU CB C 13 30.6 0.3 . 1 . . . . . 123 GLU CB . 50917 1 524 . 1 . 1 130 130 GLU N N 15 126.7 0.3 . 1 . . . . . 123 GLU N . 50917 1 525 . 1 . 1 131 131 GLU H H 1 8.75 0.02 . 1 . . . . . 124 GLU H . 50917 1 526 . 1 . 1 131 131 GLU HA H 1 5.49 0.02 . 1 . . . . . 124 GLU HA . 50917 1 527 . 1 . 1 131 131 GLU C C 13 176.0 0.3 . 1 . . . . . 124 GLU C . 50917 1 528 . 1 . 1 131 131 GLU CA C 13 54.9 0.3 . 1 . . . . . 124 GLU CA . 50917 1 529 . 1 . 1 131 131 GLU CB C 13 31.6 0.3 . 1 . . . . . 124 GLU CB . 50917 1 530 . 1 . 1 131 131 GLU N N 15 121.6 0.3 . 1 . . . . . 124 GLU N . 50917 1 531 . 1 . 1 132 132 ARG H H 1 9.17 0.02 . 1 . . . . . 125 ARG H . 50917 1 532 . 1 . 1 132 132 ARG HA H 1 4.56 0.02 . 1 . . . . . 125 ARG HA . 50917 1 533 . 1 . 1 132 132 ARG HB3 H 1 2.08 0.02 . 1 . . . . . 125 ARG HB3 . 50917 1 534 . 1 . 1 132 132 ARG HG2 H 1 1.62 0.02 . 1 . . . . . 125 ARG HG2 . 50917 1 535 . 1 . 1 132 132 ARG C C 13 174.3 0.3 . 1 . . . . . 125 ARG C . 50917 1 536 . 1 . 1 132 132 ARG CA C 13 56.0 0.3 . 1 . . . . . 125 ARG CA . 50917 1 537 . 1 . 1 132 132 ARG CB C 13 33.8 0.3 . 1 . . . . . 125 ARG CB . 50917 1 538 . 1 . 1 132 132 ARG CG C 13 30.8 0.3 . 1 . . . . . 125 ARG CG . 50917 1 539 . 1 . 1 132 132 ARG N N 15 123.7 0.3 . 1 . . . . . 125 ARG N . 50917 1 540 . 1 . 1 134 134 GLY H H 1 8.49 0.02 . 1 . . . . . 127 GLY H . 50917 1 541 . 1 . 1 134 134 GLY HA2 H 1 4.70 0.02 . 1 . . . . . 127 GLY HA2 . 50917 1 542 . 1 . 1 134 134 GLY C C 13 173.2 0.3 . 1 . . . . . 127 GLY C . 50917 1 543 . 1 . 1 134 134 GLY CA C 13 46.5 0.3 . 1 . . . . . 127 GLY CA . 50917 1 544 . 1 . 1 134 134 GLY N N 15 106.8 0.3 . 1 . . . . . 127 GLY N . 50917 1 545 . 1 . 1 135 135 ILE H H 1 7.59 0.02 . 1 . . . . . 128 ILE H . 50917 1 546 . 1 . 1 135 135 ILE HA H 1 4.67 0.02 . 1 . . . . . 128 ILE HA . 50917 1 547 . 1 . 1 135 135 ILE C C 13 174.2 0.3 . 1 . . . . . 128 ILE C . 50917 1 548 . 1 . 1 135 135 ILE CA C 13 59.5 0.3 . 1 . . . . . 128 ILE CA . 50917 1 549 . 1 . 1 135 135 ILE CB C 13 41.2 0.3 . 1 . . . . . 128 ILE CB . 50917 1 550 . 1 . 1 135 135 ILE N N 15 114.2 0.3 . 1 . . . . . 128 ILE N . 50917 1 551 . 1 . 1 136 136 THR H H 1 8.27 0.02 . 1 . . . . . 129 THR H . 50917 1 552 . 1 . 1 136 136 THR HA H 1 4.99 0.02 . 1 . . . . . 129 THR HA . 50917 1 553 . 1 . 1 136 136 THR C C 13 173.5 0.3 . 1 . . . . . 129 THR C . 50917 1 554 . 1 . 1 136 136 THR CA C 13 61.2 0.3 . 1 . . . . . 129 THR CA . 50917 1 555 . 1 . 1 136 136 THR N N 15 120.4 0.3 . 1 . . . . . 129 THR N . 50917 1 556 . 1 . 1 137 137 VAL H H 1 8.59 0.02 . 1 . . . . . 130 VAL H . 50917 1 557 . 1 . 1 137 137 VAL HA H 1 5.28 0.02 . 1 . . . . . 130 VAL HA . 50917 1 558 . 1 . 1 137 137 VAL C C 13 174.2 0.3 . 1 . . . . . 130 VAL C . 50917 1 559 . 1 . 1 137 137 VAL CA C 13 56.8 0.3 . 1 . . . . . 130 VAL CA . 50917 1 560 . 1 . 1 137 137 VAL CB C 13 34.8 0.3 . 1 . . . . . 130 VAL CB . 50917 1 561 . 1 . 1 137 137 VAL N N 15 117.5 0.3 . 1 . . . . . 130 VAL N . 50917 1 562 . 1 . 1 138 138 TYR H H 1 8.87 0.02 . 1 . . . . . 131 TYR H . 50917 1 563 . 1 . 1 138 138 TYR HA H 1 4.99 0.02 . 1 . . . . . 131 TYR HA . 50917 1 564 . 1 . 1 138 138 TYR C C 13 174.4 0.3 . 1 . . . . . 131 TYR C . 50917 1 565 . 1 . 1 138 138 TYR CA C 13 57.0 0.3 . 1 . . . . . 131 TYR CA . 50917 1 566 . 1 . 1 138 138 TYR CB C 13 39.7 0.3 . 1 . . . . . 131 TYR CB . 50917 1 567 . 1 . 1 138 138 TYR N N 15 118.5 0.3 . 1 . . . . . 131 TYR N . 50917 1 568 . 1 . 1 139 139 SER H H 1 9.30 0.02 . 1 . . . . . 132 SER H . 50917 1 569 . 1 . 1 139 139 SER HA H 1 6.09 0.02 . 1 . . . . . 132 SER HA . 50917 1 570 . 1 . 1 139 139 SER CA C 13 55.9 0.3 . 1 . . . . . 132 SER CA . 50917 1 571 . 1 . 1 139 139 SER CB C 13 65.0 0.3 . 1 . . . . . 132 SER CB . 50917 1 572 . 1 . 1 139 139 SER N N 15 116.1 0.3 . 1 . . . . . 132 SER N . 50917 1 573 . 1 . 1 140 140 MET H H 1 8.66 0.02 . 1 . . . . . 133 MET H . 50917 1 574 . 1 . 1 140 140 MET HA H 1 5.00 0.02 . 1 . . . . . 133 MET HA . 50917 1 575 . 1 . 1 140 140 MET C C 13 173.9 0.3 . 1 . . . . . 133 MET C . 50917 1 576 . 1 . 1 140 140 MET CA C 13 54.7 0.3 . 1 . . . . . 133 MET CA . 50917 1 577 . 1 . 1 140 140 MET CB C 13 37.7 0.3 . 1 . . . . . 133 MET CB . 50917 1 578 . 1 . 1 140 140 MET N N 15 127.2 0.3 . 1 . . . . . 133 MET N . 50917 1 579 . 1 . 1 141 141 GLN H H 1 8.94 0.02 . 1 . . . . . 134 GLN H . 50917 1 580 . 1 . 1 141 141 GLN C C 13 175.0 0.3 . 1 . . . . . 134 GLN C . 50917 1 581 . 1 . 1 141 141 GLN CA C 13 54.5 0.3 . 1 . . . . . 134 GLN CA . 50917 1 582 . 1 . 1 141 141 GLN CB C 13 31.2 0.3 . 1 . . . . . 134 GLN CB . 50917 1 583 . 1 . 1 141 141 GLN N N 15 127.1 0.3 . 1 . . . . . 134 GLN N . 50917 1 584 . 1 . 1 142 142 PHE H H 1 9.13 0.02 . 1 . . . . . 135 PHE H . 50917 1 585 . 1 . 1 142 142 PHE HA H 1 5.00 0.02 . 1 . . . . . 135 PHE HA . 50917 1 586 . 1 . 1 142 142 PHE C C 13 174.3 0.3 . 1 . . . . . 135 PHE C . 50917 1 587 . 1 . 1 142 142 PHE CA C 13 56.7 0.3 . 1 . . . . . 135 PHE CA . 50917 1 588 . 1 . 1 142 142 PHE CB C 13 40.3 0.3 . 1 . . . . . 135 PHE CB . 50917 1 589 . 1 . 1 142 142 PHE N N 15 120.8 0.3 . 1 . . . . . 135 PHE N . 50917 1 590 . 1 . 1 143 143 GLY H H 1 8.73 0.02 . 1 . . . . . 136 GLY H . 50917 1 591 . 1 . 1 143 143 GLY CA C 13 44.0 0.3 . 1 . . . . . 136 GLY CA . 50917 1 592 . 1 . 1 143 143 GLY N N 15 110.0 0.3 . 1 . . . . . 136 GLY N . 50917 1 593 . 1 . 1 144 144 GLY H H 1 7.50 0.02 . 1 . . . . . 137 GLY H . 50917 1 594 . 1 . 1 144 144 GLY CA C 13 44.3 0.3 . 1 . . . . . 137 GLY CA . 50917 1 595 . 1 . 1 144 144 GLY N N 15 104.2 0.3 . 1 . . . . . 137 GLY N . 50917 1 596 . 1 . 1 145 145 TYR H H 1 8.53 0.02 . 1 . . . . . 138 TYR H . 50917 1 597 . 1 . 1 145 145 TYR CA C 13 57.4 0.3 . 1 . . . . . 138 TYR CA . 50917 1 598 . 1 . 1 145 145 TYR CB C 13 36.7 0.3 . 1 . . . . . 138 TYR CB . 50917 1 599 . 1 . 1 145 145 TYR N N 15 120.7 0.3 . 1 . . . . . 138 TYR N . 50917 1 600 . 1 . 1 146 146 ALA H H 1 8.29 0.02 . 1 . . . . . 139 ALA H . 50917 1 601 . 1 . 1 146 146 ALA C C 13 176.1 0.3 . 1 . . . . . 139 ALA C . 50917 1 602 . 1 . 1 146 146 ALA CA C 13 52.3 0.3 . 1 . . . . . 139 ALA CA . 50917 1 603 . 1 . 1 146 146 ALA CB C 13 18.8 0.3 . 1 . . . . . 139 ALA CB . 50917 1 604 . 1 . 1 146 146 ALA N N 15 130.2 0.3 . 1 . . . . . 139 ALA N . 50917 1 605 . 1 . 1 147 147 LYS H H 1 9.41 0.02 . 1 . . . . . 140 LYS H . 50917 1 606 . 1 . 1 147 147 LYS HA H 1 4.84 0.02 . 1 . . . . . 140 LYS HA . 50917 1 607 . 1 . 1 147 147 LYS C C 13 177.4 0.3 . 1 . . . . . 140 LYS C . 50917 1 608 . 1 . 1 147 147 LYS CA C 13 54.1 0.3 . 1 . . . . . 140 LYS CA . 50917 1 609 . 1 . 1 147 147 LYS CB C 13 34.5 0.3 . 1 . . . . . 140 LYS CB . 50917 1 610 . 1 . 1 147 147 LYS N N 15 123.5 0.3 . 1 . . . . . 140 LYS N . 50917 1 611 . 1 . 1 148 148 GLU H H 1 10.60 0.02 . 1 . . . . . 141 GLU H . 50917 1 612 . 1 . 1 148 148 GLU C C 13 177.1 0.3 . 1 . . . . . 141 GLU C . 50917 1 613 . 1 . 1 148 148 GLU CA C 13 62.0 0.3 . 1 . . . . . 141 GLU CA . 50917 1 614 . 1 . 1 148 148 GLU CB C 13 28.9 0.3 . 1 . . . . . 141 GLU CB . 50917 1 615 . 1 . 1 148 148 GLU N N 15 125.4 0.3 . 1 . . . . . 141 GLU N . 50917 1 616 . 1 . 1 149 149 ALA H H 1 8.55 0.02 . 1 . . . . . 142 ALA H . 50917 1 617 . 1 . 1 149 149 ALA C C 13 181.0 0.3 . 1 . . . . . 142 ALA C . 50917 1 618 . 1 . 1 149 149 ALA CA C 13 55.1 0.3 . 1 . . . . . 142 ALA CA . 50917 1 619 . 1 . 1 149 149 ALA CB C 13 17.9 0.3 . 1 . . . . . 142 ALA CB . 50917 1 620 . 1 . 1 149 149 ALA N N 15 115.4 0.3 . 1 . . . . . 142 ALA N . 50917 1 621 . 1 . 1 150 150 ASP H H 1 7.76 0.02 . 1 . . . . . 143 ASP H . 50917 1 622 . 1 . 1 150 150 ASP HA H 1 4.43 0.02 . 1 . . . . . 143 ASP HA . 50917 1 623 . 1 . 1 150 150 ASP C C 13 177.5 0.3 . 1 . . . . . 143 ASP C . 50917 1 624 . 1 . 1 150 150 ASP CA C 13 57.1 0.3 . 1 . . . . . 143 ASP CA . 50917 1 625 . 1 . 1 150 150 ASP CB C 13 41.0 0.3 . 1 . . . . . 143 ASP CB . 50917 1 626 . 1 . 1 150 150 ASP N N 15 116.7 0.3 . 1 . . . . . 143 ASP N . 50917 1 627 . 1 . 1 151 151 TYR H H 1 7.95 0.02 . 1 . . . . . 144 TYR H . 50917 1 628 . 1 . 1 151 151 TYR C C 13 178.5 0.3 . 1 . . . . . 144 TYR C . 50917 1 629 . 1 . 1 151 151 TYR CA C 13 62.0 0.3 . 1 . . . . . 144 TYR CA . 50917 1 630 . 1 . 1 151 151 TYR N N 15 118.7 0.3 . 1 . . . . . 144 TYR N . 50917 1 631 . 1 . 1 152 152 VAL H H 1 8.10 0.02 . 1 . . . . . 145 VAL H . 50917 1 632 . 1 . 1 152 152 VAL HA H 1 3.83 0.02 . 1 . . . . . 145 VAL HA . 50917 1 633 . 1 . 1 152 152 VAL C C 13 179.0 0.3 . 1 . . . . . 145 VAL C . 50917 1 634 . 1 . 1 152 152 VAL CA C 13 66.2 0.3 . 1 . . . . . 145 VAL CA . 50917 1 635 . 1 . 1 152 152 VAL CB C 13 32.0 0.3 . 1 . . . . . 145 VAL CB . 50917 1 636 . 1 . 1 152 152 VAL N N 15 118.0 0.3 . 1 . . . . . 145 VAL N . 50917 1 637 . 1 . 1 153 153 ALA H H 1 8.00 0.02 . 1 . . . . . 146 ALA H . 50917 1 638 . 1 . 1 153 153 ALA C C 13 181.6 0.3 . 1 . . . . . 146 ALA C . 50917 1 639 . 1 . 1 153 153 ALA CA C 13 55.4 0.3 . 1 . . . . . 146 ALA CA . 50917 1 640 . 1 . 1 153 153 ALA CB C 13 17.8 0.3 . 1 . . . . . 146 ALA CB . 50917 1 641 . 1 . 1 153 153 ALA N N 15 123.3 0.3 . 1 . . . . . 146 ALA N . 50917 1 642 . 1 . 1 154 154 GLN H H 1 8.71 0.02 . 1 . . . . . 147 GLN H . 50917 1 643 . 1 . 1 154 154 GLN HB3 H 1 1.39 0.02 . 1 . . . . . 147 GLN HB3 . 50917 1 644 . 1 . 1 154 154 GLN C C 13 178.3 0.3 . 1 . . . . . 147 GLN C . 50917 1 645 . 1 . 1 154 154 GLN CA C 13 57.7 0.3 . 1 . . . . . 147 GLN CA . 50917 1 646 . 1 . 1 154 154 GLN CB C 13 25.8 0.3 . 1 . . . . . 147 GLN CB . 50917 1 647 . 1 . 1 154 154 GLN N N 15 117.4 0.3 . 1 . . . . . 147 GLN N . 50917 1 648 . 1 . 1 155 155 ALA H H 1 7.85 0.02 . 1 . . . . . 148 ALA H . 50917 1 649 . 1 . 1 155 155 ALA C C 13 179.3 0.3 . 1 . . . . . 148 ALA C . 50917 1 650 . 1 . 1 155 155 ALA CA C 13 55.8 0.3 . 1 . . . . . 148 ALA CA . 50917 1 651 . 1 . 1 155 155 ALA CB C 13 16.4 0.3 . 1 . . . . . 148 ALA CB . 50917 1 652 . 1 . 1 155 155 ALA N N 15 121.7 0.3 . 1 . . . . . 148 ALA N . 50917 1 653 . 1 . 1 156 156 THR H H 1 7.76 0.02 . 1 . . . . . 149 THR H . 50917 1 654 . 1 . 1 156 156 THR C C 13 176.2 0.3 . 1 . . . . . 149 THR C . 50917 1 655 . 1 . 1 156 156 THR CA C 13 66.7 0.3 . 1 . . . . . 149 THR CA . 50917 1 656 . 1 . 1 156 156 THR CB C 13 68.8 0.3 . 1 . . . . . 149 THR CB . 50917 1 657 . 1 . 1 156 156 THR N N 15 114.3 0.3 . 1 . . . . . 149 THR N . 50917 1 658 . 1 . 1 157 157 ARG H H 1 7.29 0.02 . 1 . . . . . 150 ARG H . 50917 1 659 . 1 . 1 157 157 ARG C C 13 178.7 0.3 . 1 . . . . . 150 ARG C . 50917 1 660 . 1 . 1 157 157 ARG CA C 13 59.3 0.3 . 1 . . . . . 150 ARG CA . 50917 1 661 . 1 . 1 157 157 ARG CB C 13 29.1 0.3 . 1 . . . . . 150 ARG CB . 50917 1 662 . 1 . 1 157 157 ARG N N 15 121.7 0.3 . 1 . . . . . 150 ARG N . 50917 1 663 . 1 . 1 158 158 LEU H H 1 7.70 0.02 . 1 . . . . . 151 LEU H . 50917 1 664 . 1 . 1 158 158 LEU HA H 1 4.40 0.02 . 1 . . . . . 151 LEU HA . 50917 1 665 . 1 . 1 158 158 LEU C C 13 177.7 0.3 . 1 . . . . . 151 LEU C . 50917 1 666 . 1 . 1 158 158 LEU CA C 13 57.8 0.3 . 1 . . . . . 151 LEU CA . 50917 1 667 . 1 . 1 158 158 LEU CB C 13 39.4 0.3 . 1 . . . . . 151 LEU CB . 50917 1 668 . 1 . 1 158 158 LEU N N 15 120.9 0.3 . 1 . . . . . 151 LEU N . 50917 1 669 . 1 . 1 159 159 ARG H H 1 8.36 0.02 . 1 . . . . . 152 ARG H . 50917 1 670 . 1 . 1 159 159 ARG C C 13 179.6 0.3 . 1 . . . . . 152 ARG C . 50917 1 671 . 1 . 1 159 159 ARG CA C 13 60.8 0.3 . 1 . . . . . 152 ARG CA . 50917 1 672 . 1 . 1 159 159 ARG CB C 13 29.6 0.3 . 1 . . . . . 152 ARG CB . 50917 1 673 . 1 . 1 159 159 ARG N N 15 116.7 0.3 . 1 . . . . . 152 ARG N . 50917 1 674 . 1 . 1 160 160 ALA H H 1 7.66 0.02 . 1 . . . . . 153 ALA H . 50917 1 675 . 1 . 1 160 160 ALA HA H 1 4.09 0.02 . 1 . . . . . 153 ALA HA . 50917 1 676 . 1 . 1 160 160 ALA C C 13 180.0 0.3 . 1 . . . . . 153 ALA C . 50917 1 677 . 1 . 1 160 160 ALA CA C 13 54.8 0.3 . 1 . . . . . 153 ALA CA . 50917 1 678 . 1 . 1 160 160 ALA CB C 13 16.9 0.3 . 1 . . . . . 153 ALA CB . 50917 1 679 . 1 . 1 160 160 ALA N N 15 119.7 0.3 . 1 . . . . . 153 ALA N . 50917 1 680 . 1 . 1 161 161 ALA H H 1 7.42 0.02 . 1 . . . . . 154 ALA H . 50917 1 681 . 1 . 1 161 161 ALA HA H 1 4.04 0.02 . 1 . . . . . 154 ALA HA . 50917 1 682 . 1 . 1 161 161 ALA C C 13 178.2 0.3 . 1 . . . . . 154 ALA C . 50917 1 683 . 1 . 1 161 161 ALA CA C 13 54.1 0.3 . 1 . . . . . 154 ALA CA . 50917 1 684 . 1 . 1 161 161 ALA CB C 13 17.6 0.3 . 1 . . . . . 154 ALA CB . 50917 1 685 . 1 . 1 161 161 ALA N N 15 120.2 0.3 . 1 . . . . . 154 ALA N . 50917 1 686 . 1 . 1 162 162 LEU H H 1 7.21 0.02 . 1 . . . . . 155 LEU H . 50917 1 687 . 1 . 1 162 162 LEU HA H 1 3.81 0.02 . 1 . . . . . 155 LEU HA . 50917 1 688 . 1 . 1 162 162 LEU C C 13 177.2 0.3 . 1 . . . . . 155 LEU C . 50917 1 689 . 1 . 1 162 162 LEU CA C 13 54.5 0.3 . 1 . . . . . 155 LEU CA . 50917 1 690 . 1 . 1 162 162 LEU CB C 13 41.3 0.3 . 1 . . . . . 155 LEU CB . 50917 1 691 . 1 . 1 162 162 LEU N N 15 114.7 0.3 . 1 . . . . . 155 LEU N . 50917 1 692 . 1 . 1 163 163 GLU H H 1 7.24 0.02 . 1 . . . . . 156 GLU H . 50917 1 693 . 1 . 1 163 163 GLU C C 13 177.7 0.3 . 1 . . . . . 156 GLU C . 50917 1 694 . 1 . 1 163 163 GLU CA C 13 58.3 0.3 . 1 . . . . . 156 GLU CA . 50917 1 695 . 1 . 1 163 163 GLU CB C 13 28.5 0.3 . 1 . . . . . 156 GLU CB . 50917 1 696 . 1 . 1 163 163 GLU N N 15 121.6 0.3 . 1 . . . . . 156 GLU N . 50917 1 697 . 1 . 1 165 165 THR H H 1 8.18 0.02 . 1 . . . . . 158 THR H . 50917 1 698 . 1 . 1 165 165 THR HA H 1 4.37 0.02 . 1 . . . . . 158 THR HA . 50917 1 699 . 1 . 1 165 165 THR C C 13 173.1 0.3 . 1 . . . . . 158 THR C . 50917 1 700 . 1 . 1 165 165 THR CA C 13 63.1 0.3 . 1 . . . . . 158 THR CA . 50917 1 701 . 1 . 1 165 165 THR CB C 13 70.2 0.3 . 1 . . . . . 158 THR CB . 50917 1 702 . 1 . 1 165 165 THR N N 15 114.1 0.3 . 1 . . . . . 158 THR N . 50917 1 703 . 1 . 1 166 166 ALA H H 1 7.81 0.02 . 1 . . . . . 159 ALA H . 50917 1 704 . 1 . 1 166 166 ALA HA H 1 4.64 0.02 . 1 . . . . . 159 ALA HA . 50917 1 705 . 1 . 1 166 166 ALA HB1 H 1 0.95 0.02 . 1 . . . . . 159 ALA HB . 50917 1 706 . 1 . 1 166 166 ALA HB2 H 1 0.95 0.02 . 1 . . . . . 159 ALA HB . 50917 1 707 . 1 . 1 166 166 ALA HB3 H 1 0.95 0.02 . 1 . . . . . 159 ALA HB . 50917 1 708 . 1 . 1 166 166 ALA C C 13 175.5 0.3 . 1 . . . . . 159 ALA C . 50917 1 709 . 1 . 1 166 166 ALA CA C 13 51.4 0.3 . 1 . . . . . 159 ALA CA . 50917 1 710 . 1 . 1 166 166 ALA CB C 13 22.4 0.3 . 1 . . . . . 159 ALA CB . 50917 1 711 . 1 . 1 166 166 ALA N N 15 124.0 0.3 . 1 . . . . . 159 ALA N . 50917 1 712 . 1 . 1 167 167 THR H H 1 8.33 0.02 . 1 . . . . . 160 THR H . 50917 1 713 . 1 . 1 167 167 THR HA H 1 4.30 0.02 . 1 . . . . . 160 THR HA . 50917 1 714 . 1 . 1 167 167 THR C C 13 173.2 0.3 . 1 . . . . . 160 THR C . 50917 1 715 . 1 . 1 167 167 THR CA C 13 60.1 0.3 . 1 . . . . . 160 THR CA . 50917 1 716 . 1 . 1 167 167 THR CB C 13 70.2 0.3 . 1 . . . . . 160 THR CB . 50917 1 717 . 1 . 1 167 167 THR N N 15 111.6 0.3 . 1 . . . . . 160 THR N . 50917 1 718 . 1 . 1 168 168 TYR H H 1 7.15 0.02 . 1 . . . . . 161 TYR H . 50917 1 719 . 1 . 1 168 168 TYR HA H 1 4.78 0.02 . 1 . . . . . 161 TYR HA . 50917 1 720 . 1 . 1 168 168 TYR C C 13 170.9 0.3 . 1 . . . . . 161 TYR C . 50917 1 721 . 1 . 1 168 168 TYR CA C 13 52.5 0.3 . 1 . . . . . 161 TYR CA . 50917 1 722 . 1 . 1 168 168 TYR CB C 13 40.3 0.3 . 1 . . . . . 161 TYR CB . 50917 1 723 . 1 . 1 168 168 TYR N N 15 117.3 0.3 . 1 . . . . . 161 TYR N . 50917 1 724 . 1 . 1 171 171 ASP H H 1 9.50 0.02 . 1 . . . . . 164 ASP H . 50917 1 725 . 1 . 1 171 171 ASP HA H 1 4.66 0.02 . 1 . . . . . 164 ASP HA . 50917 1 726 . 1 . 1 171 171 ASP C C 13 174.5 0.3 . 1 . . . . . 164 ASP C . 50917 1 727 . 1 . 1 171 171 ASP CA C 13 53.6 0.3 . 1 . . . . . 164 ASP CA . 50917 1 728 . 1 . 1 171 171 ASP CB C 13 39.5 0.3 . 1 . . . . . 164 ASP CB . 50917 1 729 . 1 . 1 171 171 ASP N N 15 115.2 0.3 . 1 . . . . . 164 ASP N . 50917 1 730 . 1 . 1 172 172 ILE H H 1 7.19 0.02 . 1 . . . . . 165 ILE H . 50917 1 731 . 1 . 1 172 172 ILE HA H 1 4.69 0.02 . 1 . . . . . 165 ILE HA . 50917 1 732 . 1 . 1 172 172 ILE C C 13 172.8 0.3 . 1 . . . . . 165 ILE C . 50917 1 733 . 1 . 1 172 172 ILE CA C 13 59.4 0.3 . 1 . . . . . 165 ILE CA . 50917 1 734 . 1 . 1 172 172 ILE CB C 13 30.3 0.3 . 1 . . . . . 165 ILE CB . 50917 1 735 . 1 . 1 172 172 ILE N N 15 118.4 0.3 . 1 . . . . . 165 ILE N . 50917 1 736 . 1 . 1 173 173 TYR H H 1 7.90 0.02 . 1 . . . . . 166 TYR H . 50917 1 737 . 1 . 1 173 173 TYR HA H 1 4.31 0.02 . 1 . . . . . 166 TYR HA . 50917 1 738 . 1 . 1 173 173 TYR C C 13 171.5 0.3 . 1 . . . . . 166 TYR C . 50917 1 739 . 1 . 1 173 173 TYR CA C 13 56.9 0.3 . 1 . . . . . 166 TYR CA . 50917 1 740 . 1 . 1 173 173 TYR CB C 13 38.6 0.3 . 1 . . . . . 166 TYR CB . 50917 1 741 . 1 . 1 173 173 TYR N N 15 119.1 0.3 . 1 . . . . . 166 TYR N . 50917 1 742 . 1 . 1 174 174 PHE H H 1 9.06 0.02 . 1 . . . . . 167 PHE H . 50917 1 743 . 1 . 1 174 174 PHE HA H 1 5.74 0.02 . 1 . . . . . 167 PHE HA . 50917 1 744 . 1 . 1 174 174 PHE CA C 13 55.1 0.3 . 1 . . . . . 167 PHE CA . 50917 1 745 . 1 . 1 174 174 PHE CB C 13 41.5 0.3 . 1 . . . . . 167 PHE CB . 50917 1 746 . 1 . 1 174 174 PHE N N 15 113.3 0.3 . 1 . . . . . 167 PHE N . 50917 1 747 . 1 . 1 175 175 CYS H H 1 8.59 0.02 . 1 . . . . . 168 CYS H . 50917 1 748 . 1 . 1 175 175 CYS HA H 1 5.06 0.02 . 1 . . . . . 168 CYS HA . 50917 1 749 . 1 . 1 175 175 CYS C C 13 173.5 0.3 . 1 . . . . . 168 CYS C . 50917 1 750 . 1 . 1 175 175 CYS CA C 13 55.5 0.3 . 1 . . . . . 168 CYS CA . 50917 1 751 . 1 . 1 175 175 CYS N N 15 119.2 0.3 . 1 . . . . . 168 CYS N . 50917 1 752 . 1 . 1 176 176 THR H H 1 8.99 0.02 . 1 . . . . . 169 THR H . 50917 1 753 . 1 . 1 176 176 THR CA C 13 58.4 0.3 . 1 . . . . . 169 THR CA . 50917 1 754 . 1 . 1 176 176 THR CB C 13 70.1 0.3 . 1 . . . . . 169 THR CB . 50917 1 755 . 1 . 1 176 176 THR N N 15 111.4 0.3 . 1 . . . . . 169 THR N . 50917 1 756 . 1 . 1 178 178 TYR H H 1 7.92 0.02 . 1 . . . . . 171 TYR H . 50917 1 757 . 1 . 1 178 178 TYR HA H 1 4.21 0.02 . 1 . . . . . 171 TYR HA . 50917 1 758 . 1 . 1 178 178 TYR C C 13 177.0 0.3 . 1 . . . . . 171 TYR C . 50917 1 759 . 1 . 1 178 178 TYR CA C 13 61.4 0.3 . 1 . . . . . 171 TYR CA . 50917 1 760 . 1 . 1 178 178 TYR CB C 13 37.8 0.3 . 1 . . . . . 171 TYR CB . 50917 1 761 . 1 . 1 178 178 TYR N N 15 119.9 0.3 . 1 . . . . . 171 TYR N . 50917 1 762 . 1 . 1 185 185 TYR H H 1 7.14 0.02 . 1 . . . . . 178 TYR H . 50917 1 763 . 1 . 1 185 185 TYR C C 13 175.2 0.3 . 1 . . . . . 178 TYR C . 50917 1 764 . 1 . 1 185 185 TYR CA C 13 55.7 0.3 . 1 . . . . . 178 TYR CA . 50917 1 765 . 1 . 1 185 185 TYR CB C 13 39.8 0.3 . 1 . . . . . 178 TYR CB . 50917 1 766 . 1 . 1 185 185 TYR N N 15 115.8 0.3 . 1 . . . . . 178 TYR N . 50917 1 767 . 1 . 1 188 188 ARG H H 1 9.40 0.02 . 1 . . . . . 181 ARG H . 50917 1 768 . 1 . 1 188 188 ARG CA C 13 55.9 0.3 . 1 . . . . . 181 ARG CA . 50917 1 769 . 1 . 1 188 188 ARG CB C 13 33.6 0.3 . 1 . . . . . 181 ARG CB . 50917 1 770 . 1 . 1 188 188 ARG N N 15 121.5 0.3 . 1 . . . . . 181 ARG N . 50917 1 771 . 1 . 1 189 189 ASN H H 1 8.22 0.02 . 1 . . . . . 182 ASN H . 50917 1 772 . 1 . 1 189 189 ASN HA H 1 5.42 0.02 . 1 . . . . . 182 ASN HA . 50917 1 773 . 1 . 1 189 189 ASN C C 13 175.9 0.3 . 1 . . . . . 182 ASN C . 50917 1 774 . 1 . 1 189 189 ASN CA C 13 50.4 0.3 . 1 . . . . . 182 ASN CA . 50917 1 775 . 1 . 1 189 189 ASN N N 15 121.4 0.3 . 1 . . . . . 182 ASN N . 50917 1 776 . 1 . 1 190 190 GLU H H 1 8.19 0.02 . 1 . . . . . 183 GLU H . 50917 1 777 . 1 . 1 190 190 GLU HA H 1 5.81 0.02 . 1 . . . . . 183 GLU HA . 50917 1 778 . 1 . 1 190 190 GLU C C 13 176.3 0.3 . 1 . . . . . 183 GLU C . 50917 1 779 . 1 . 1 190 190 GLU CA C 13 54.6 0.3 . 1 . . . . . 183 GLU CA . 50917 1 780 . 1 . 1 190 190 GLU CB C 13 32.0 0.3 . 1 . . . . . 183 GLU CB . 50917 1 781 . 1 . 1 190 190 GLU N N 15 116.0 0.3 . 1 . . . . . 183 GLU N . 50917 1 782 . 1 . 1 191 191 ILE H H 1 8.38 0.02 . 1 . . . . . 184 ILE H . 50917 1 783 . 1 . 1 191 191 ILE HA H 1 4.85 0.02 . 1 . . . . . 184 ILE HA . 50917 1 784 . 1 . 1 191 191 ILE C C 13 174.5 0.3 . 1 . . . . . 184 ILE C . 50917 1 785 . 1 . 1 191 191 ILE CA C 13 58.2 0.3 . 1 . . . . . 184 ILE CA . 50917 1 786 . 1 . 1 191 191 ILE CB C 13 37.7 0.3 . 1 . . . . . 184 ILE CB . 50917 1 787 . 1 . 1 191 191 ILE N N 15 118.4 0.3 . 1 . . . . . 184 ILE N . 50917 1 788 . 1 . 1 192 192 TRP H H 1 9.49 0.02 . 1 . . . . . 185 TRP H . 50917 1 789 . 1 . 1 192 192 TRP HA H 1 5.79 0.02 . 1 . . . . . 185 TRP HA . 50917 1 790 . 1 . 1 192 192 TRP C C 13 176.0 0.3 . 1 . . . . . 185 TRP C . 50917 1 791 . 1 . 1 192 192 TRP CA C 13 53.1 0.3 . 1 . . . . . 185 TRP CA . 50917 1 792 . 1 . 1 192 192 TRP CB C 13 32.0 0.3 . 1 . . . . . 185 TRP CB . 50917 1 793 . 1 . 1 192 192 TRP N N 15 125.1 0.3 . 1 . . . . . 185 TRP N . 50917 1 794 . 1 . 1 193 193 LEU H H 1 8.89 0.02 . 1 . . . . . 186 LEU H . 50917 1 795 . 1 . 1 193 193 LEU C C 13 177.1 0.3 . 1 . . . . . 186 LEU C . 50917 1 796 . 1 . 1 193 193 LEU CA C 13 53.2 0.3 . 1 . . . . . 186 LEU CA . 50917 1 797 . 1 . 1 193 193 LEU CB C 13 41.8 0.3 . 1 . . . . . 186 LEU CB . 50917 1 798 . 1 . 1 193 193 LEU N N 15 122.0 0.3 . 1 . . . . . 186 LEU N . 50917 1 799 . 1 . 1 194 194 LEU H H 1 9.99 0.02 . 1 . . . . . 187 LEU H . 50917 1 800 . 1 . 1 194 194 LEU HA H 1 4.86 0.02 . 1 . . . . . 187 LEU HA . 50917 1 801 . 1 . 1 194 194 LEU C C 13 175.2 0.3 . 1 . . . . . 187 LEU C . 50917 1 802 . 1 . 1 194 194 LEU CA C 13 55.2 0.3 . 1 . . . . . 187 LEU CA . 50917 1 803 . 1 . 1 194 194 LEU CB C 13 42.3 0.3 . 1 . . . . . 187 LEU CB . 50917 1 804 . 1 . 1 194 194 LEU N N 15 125.8 0.3 . 1 . . . . . 187 LEU N . 50917 1 805 . 1 . 1 195 195 LYS H H 1 8.07 0.02 . 1 . . . . . 188 LYS H . 50917 1 806 . 1 . 1 195 195 LYS HA H 1 3.72 0.02 . 1 . . . . . 188 LYS HA . 50917 1 807 . 1 . 1 195 195 LYS C C 13 176.0 0.3 . 1 . . . . . 188 LYS C . 50917 1 808 . 1 . 1 195 195 LYS CA C 13 58.0 0.3 . 1 . . . . . 188 LYS CA . 50917 1 809 . 1 . 1 195 195 LYS CB C 13 33.3 0.3 . 1 . . . . . 188 LYS CB . 50917 1 810 . 1 . 1 195 195 LYS N N 15 127.4 0.3 . 1 . . . . . 188 LYS N . 50917 1 811 . 1 . 1 196 196 THR H H 1 7.67 0.02 . 1 . . . . . 189 THR H . 50917 1 812 . 1 . 1 196 196 THR HA H 1 4.12 0.02 . 1 . . . . . 189 THR HA . 50917 1 813 . 1 . 1 196 196 THR C C 13 178.6 0.3 . 1 . . . . . 189 THR C . 50917 1 814 . 1 . 1 196 196 THR CA C 13 62.8 0.3 . 1 . . . . . 189 THR CA . 50917 1 815 . 1 . 1 196 196 THR CB C 13 70.0 0.3 . 1 . . . . . 189 THR CB . 50917 1 816 . 1 . 1 196 196 THR N N 15 123.4 0.3 . 1 . . . . . 189 THR N . 50917 1 stop_ save_