data_25441 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25441 _Entry.Title ; Backbone chemical shift assignments for human Rotavirus P[19] VP8* domain of VP4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-19 _Entry.Accession_date 2015-01-19 _Entry.Last_release_date 2015-07-29 _Entry.Original_release_date 2015-07-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Theresa Ramelot . A. . . 25441 2 Yang Liu . . . . 25441 3 Penwei Huang . . . . 25441 4 Yan Liu . . . . 25441 5 Ten Feizi . . . . 25441 6 Weiming Zhong . . . . 25441 7 Fang-Tzy Wu . . . . 25441 8 Ming Tan . . . . 25441 9 Michael Kennedy . A. . . 25441 10 Xi Jiang . . . . 25441 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "Division of Infectious Diseases, Cincinnati Children's Hospital Medical Center" . 25441 2 . 'Department of Chemistry and Biochemistry, Miami University' . 25441 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25441 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 466 25441 '15N chemical shifts' 142 25441 '1H chemical shifts' 142 25441 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-03-29 2015-01-19 update BMRB 'update entry citation' 25441 1 . . 2015-07-29 2015-01-19 original author 'original release' 25441 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25441 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27558427 _Citation.Full_citation . _Citation.Title ; Glycan Specificity of P[19] Rotavirus and Comparison with Those of Related P Genotypes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full 'Journal of virology' _Citation.Journal_volume 90 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1098-5514 _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 9983 _Citation.Page_last 9996 _Citation.Year 2016 _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 Yang Liu Y. . . . 25441 1 2 Theresa Ramelot T. A. . . 25441 1 3 Pengwei Huang P. . . . 25441 1 4 Yan Liu Y. . . . 25441 1 5 Zhen Li Z. . . . 25441 1 6 Ten Feizi T. . . . 25441 1 7 Weiming Zhong W. . . . 25441 1 8 Fang-Tzy Wu F. T. . . 25441 1 9 Ming Tan M. . . . 25441 1 10 Michael Kennedy M. A. . . 25441 1 11 Xi Jiang X. . . . 25441 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID VP4 25441 1 VP8 25441 1 carbohydrate 25441 1 rotavirus 25441 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25441 _Assembly.ID 1 _Assembly.Name VP8 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20000 _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 VP8 1 $VP8 A . yes native no no . . . 25441 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes GB DQ887060 . . . . . . 25441 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'carbohydrate recognition domain of VP4' 25441 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VP8 _Entity.Sf_category entity _Entity.Sf_framecode VP8 _Entity.Entry_ID 25441 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VP8 _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 ; GSAPVNWGHGEINDSTTVEP VLDGPYQPVTFKPPNDYWIL INSNSNGVVLEGTNNTDVWV AIISIEPNVNSESRQYSLFG VNKQITVVNTSNKWKFMEMF RNNSNAEFQHKRTLTSSTKL VGILKHGGRLWTYHGETPNA TTDYSTTSNLNEISVTTYAE FYIIPRSQESKCTEYINTGL PPMQNTRN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'homology model starts at T1 of TVEPVL sequence' _Entity.Polymer_author_seq_details 'GS is non-native from cloning' _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB DQ887060 . . . . . . . . . . . . . . . . 25441 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'carbohydrate binding domain' 25441 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 -15 GLY . 25441 1 2 -14 SER . 25441 1 3 -13 ALA . 25441 1 4 -12 PRO . 25441 1 5 -11 VAL . 25441 1 6 -10 ASN . 25441 1 7 -9 TRP . 25441 1 8 -8 GLY . 25441 1 9 -7 HIS . 25441 1 10 -6 GLY . 25441 1 11 -5 GLU . 25441 1 12 -4 ILE . 25441 1 13 -3 ASN . 25441 1 14 -2 ASP . 25441 1 15 -1 SER . 25441 1 16 0 THR . 25441 1 17 1 THR . 25441 1 18 2 VAL . 25441 1 19 3 GLU . 25441 1 20 4 PRO . 25441 1 21 5 VAL . 25441 1 22 6 LEU . 25441 1 23 7 ASP . 25441 1 24 8 GLY . 25441 1 25 9 PRO . 25441 1 26 10 TYR . 25441 1 27 11 GLN . 25441 1 28 12 PRO . 25441 1 29 13 VAL . 25441 1 30 14 THR . 25441 1 31 15 PHE . 25441 1 32 16 LYS . 25441 1 33 17 PRO . 25441 1 34 18 PRO . 25441 1 35 19 ASN . 25441 1 36 20 ASP . 25441 1 37 21 TYR . 25441 1 38 22 TRP . 25441 1 39 23 ILE . 25441 1 40 24 LEU . 25441 1 41 25 ILE . 25441 1 42 26 ASN . 25441 1 43 27 SER . 25441 1 44 28 ASN . 25441 1 45 29 SER . 25441 1 46 30 ASN . 25441 1 47 31 GLY . 25441 1 48 32 VAL . 25441 1 49 33 VAL . 25441 1 50 34 LEU . 25441 1 51 35 GLU . 25441 1 52 36 GLY . 25441 1 53 37 THR . 25441 1 54 38 ASN . 25441 1 55 39 ASN . 25441 1 56 40 THR . 25441 1 57 41 ASP . 25441 1 58 42 VAL . 25441 1 59 43 TRP . 25441 1 60 44 VAL . 25441 1 61 45 ALA . 25441 1 62 46 ILE . 25441 1 63 47 ILE . 25441 1 64 48 SER . 25441 1 65 49 ILE . 25441 1 66 50 GLU . 25441 1 67 51 PRO . 25441 1 68 52 ASN . 25441 1 69 53 VAL . 25441 1 70 54 ASN . 25441 1 71 55 SER . 25441 1 72 56 GLU . 25441 1 73 57 SER . 25441 1 74 58 ARG . 25441 1 75 59 GLN . 25441 1 76 60 TYR . 25441 1 77 61 SER . 25441 1 78 62 LEU . 25441 1 79 63 PHE . 25441 1 80 64 GLY . 25441 1 81 65 VAL . 25441 1 82 66 ASN . 25441 1 83 67 LYS . 25441 1 84 68 GLN . 25441 1 85 69 ILE . 25441 1 86 70 THR . 25441 1 87 71 VAL . 25441 1 88 72 VAL . 25441 1 89 73 ASN . 25441 1 90 74 THR . 25441 1 91 75 SER . 25441 1 92 76 ASN . 25441 1 93 77 LYS . 25441 1 94 78 TRP . 25441 1 95 79 LYS . 25441 1 96 80 PHE . 25441 1 97 81 MET . 25441 1 98 82 GLU . 25441 1 99 83 MET . 25441 1 100 84 PHE . 25441 1 101 85 ARG . 25441 1 102 86 ASN . 25441 1 103 87 ASN . 25441 1 104 88 SER . 25441 1 105 89 ASN . 25441 1 106 90 ALA . 25441 1 107 91 GLU . 25441 1 108 92 PHE . 25441 1 109 93 GLN . 25441 1 110 94 HIS . 25441 1 111 95 LYS . 25441 1 112 96 ARG . 25441 1 113 97 THR . 25441 1 114 98 LEU . 25441 1 115 99 THR . 25441 1 116 100 SER . 25441 1 117 101 SER . 25441 1 118 102 THR . 25441 1 119 103 LYS . 25441 1 120 104 LEU . 25441 1 121 105 VAL . 25441 1 122 106 GLY . 25441 1 123 107 ILE . 25441 1 124 108 LEU . 25441 1 125 109 LYS . 25441 1 126 110 HIS . 25441 1 127 111 GLY . 25441 1 128 112 GLY . 25441 1 129 113 ARG . 25441 1 130 114 LEU . 25441 1 131 115 TRP . 25441 1 132 116 THR . 25441 1 133 117 TYR . 25441 1 134 118 HIS . 25441 1 135 119 GLY . 25441 1 136 120 GLU . 25441 1 137 121 THR . 25441 1 138 122 PRO . 25441 1 139 123 ASN . 25441 1 140 124 ALA . 25441 1 141 125 THR . 25441 1 142 126 THR . 25441 1 143 127 ASP . 25441 1 144 128 TYR . 25441 1 145 129 SER . 25441 1 146 130 THR . 25441 1 147 131 THR . 25441 1 148 132 SER . 25441 1 149 133 ASN . 25441 1 150 134 LEU . 25441 1 151 135 ASN . 25441 1 152 136 GLU . 25441 1 153 137 ILE . 25441 1 154 138 SER . 25441 1 155 139 VAL . 25441 1 156 140 THR . 25441 1 157 141 THR . 25441 1 158 142 TYR . 25441 1 159 143 ALA . 25441 1 160 144 GLU . 25441 1 161 145 PHE . 25441 1 162 146 TYR . 25441 1 163 147 ILE . 25441 1 164 148 ILE . 25441 1 165 149 PRO . 25441 1 166 150 ARG . 25441 1 167 151 SER . 25441 1 168 152 GLN . 25441 1 169 153 GLU . 25441 1 170 154 SER . 25441 1 171 155 LYS . 25441 1 172 156 CYS . 25441 1 173 157 THR . 25441 1 174 158 GLU . 25441 1 175 159 TYR . 25441 1 176 160 ILE . 25441 1 177 161 ASN . 25441 1 178 162 THR . 25441 1 179 163 GLY . 25441 1 180 164 LEU . 25441 1 181 165 PRO . 25441 1 182 166 PRO . 25441 1 183 167 MET . 25441 1 184 168 GLN . 25441 1 185 169 ASN . 25441 1 186 170 THR . 25441 1 187 171 ARG . 25441 1 188 172 ASN . 25441 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25441 1 . SER 2 2 25441 1 . ALA 3 3 25441 1 . PRO 4 4 25441 1 . VAL 5 5 25441 1 . ASN 6 6 25441 1 . TRP 7 7 25441 1 . GLY 8 8 25441 1 . HIS 9 9 25441 1 . GLY 10 10 25441 1 . GLU 11 11 25441 1 . ILE 12 12 25441 1 . ASN 13 13 25441 1 . ASP 14 14 25441 1 . SER 15 15 25441 1 . THR 16 16 25441 1 . THR 17 17 25441 1 . VAL 18 18 25441 1 . GLU 19 19 25441 1 . PRO 20 20 25441 1 . VAL 21 21 25441 1 . LEU 22 22 25441 1 . ASP 23 23 25441 1 . GLY 24 24 25441 1 . PRO 25 25 25441 1 . TYR 26 26 25441 1 . GLN 27 27 25441 1 . PRO 28 28 25441 1 . VAL 29 29 25441 1 . THR 30 30 25441 1 . PHE 31 31 25441 1 . LYS 32 32 25441 1 . PRO 33 33 25441 1 . PRO 34 34 25441 1 . ASN 35 35 25441 1 . ASP 36 36 25441 1 . TYR 37 37 25441 1 . TRP 38 38 25441 1 . ILE 39 39 25441 1 . LEU 40 40 25441 1 . ILE 41 41 25441 1 . ASN 42 42 25441 1 . SER 43 43 25441 1 . ASN 44 44 25441 1 . SER 45 45 25441 1 . ASN 46 46 25441 1 . GLY 47 47 25441 1 . VAL 48 48 25441 1 . VAL 49 49 25441 1 . LEU 50 50 25441 1 . GLU 51 51 25441 1 . GLY 52 52 25441 1 . THR 53 53 25441 1 . ASN 54 54 25441 1 . ASN 55 55 25441 1 . THR 56 56 25441 1 . ASP 57 57 25441 1 . VAL 58 58 25441 1 . TRP 59 59 25441 1 . VAL 60 60 25441 1 . ALA 61 61 25441 1 . ILE 62 62 25441 1 . ILE 63 63 25441 1 . SER 64 64 25441 1 . ILE 65 65 25441 1 . GLU 66 66 25441 1 . PRO 67 67 25441 1 . ASN 68 68 25441 1 . VAL 69 69 25441 1 . ASN 70 70 25441 1 . SER 71 71 25441 1 . GLU 72 72 25441 1 . SER 73 73 25441 1 . ARG 74 74 25441 1 . GLN 75 75 25441 1 . TYR 76 76 25441 1 . SER 77 77 25441 1 . LEU 78 78 25441 1 . PHE 79 79 25441 1 . GLY 80 80 25441 1 . VAL 81 81 25441 1 . ASN 82 82 25441 1 . LYS 83 83 25441 1 . GLN 84 84 25441 1 . ILE 85 85 25441 1 . THR 86 86 25441 1 . VAL 87 87 25441 1 . VAL 88 88 25441 1 . ASN 89 89 25441 1 . THR 90 90 25441 1 . SER 91 91 25441 1 . ASN 92 92 25441 1 . LYS 93 93 25441 1 . TRP 94 94 25441 1 . LYS 95 95 25441 1 . PHE 96 96 25441 1 . MET 97 97 25441 1 . GLU 98 98 25441 1 . MET 99 99 25441 1 . PHE 100 100 25441 1 . ARG 101 101 25441 1 . ASN 102 102 25441 1 . ASN 103 103 25441 1 . SER 104 104 25441 1 . ASN 105 105 25441 1 . ALA 106 106 25441 1 . GLU 107 107 25441 1 . PHE 108 108 25441 1 . GLN 109 109 25441 1 . HIS 110 110 25441 1 . LYS 111 111 25441 1 . ARG 112 112 25441 1 . THR 113 113 25441 1 . LEU 114 114 25441 1 . THR 115 115 25441 1 . SER 116 116 25441 1 . SER 117 117 25441 1 . THR 118 118 25441 1 . LYS 119 119 25441 1 . LEU 120 120 25441 1 . VAL 121 121 25441 1 . GLY 122 122 25441 1 . ILE 123 123 25441 1 . LEU 124 124 25441 1 . LYS 125 125 25441 1 . HIS 126 126 25441 1 . GLY 127 127 25441 1 . GLY 128 128 25441 1 . ARG 129 129 25441 1 . LEU 130 130 25441 1 . TRP 131 131 25441 1 . THR 132 132 25441 1 . TYR 133 133 25441 1 . HIS 134 134 25441 1 . GLY 135 135 25441 1 . GLU 136 136 25441 1 . THR 137 137 25441 1 . PRO 138 138 25441 1 . ASN 139 139 25441 1 . ALA 140 140 25441 1 . THR 141 141 25441 1 . THR 142 142 25441 1 . ASP 143 143 25441 1 . TYR 144 144 25441 1 . SER 145 145 25441 1 . THR 146 146 25441 1 . THR 147 147 25441 1 . SER 148 148 25441 1 . ASN 149 149 25441 1 . LEU 150 150 25441 1 . ASN 151 151 25441 1 . GLU 152 152 25441 1 . ILE 153 153 25441 1 . SER 154 154 25441 1 . VAL 155 155 25441 1 . THR 156 156 25441 1 . THR 157 157 25441 1 . TYR 158 158 25441 1 . ALA 159 159 25441 1 . GLU 160 160 25441 1 . PHE 161 161 25441 1 . TYR 162 162 25441 1 . ILE 163 163 25441 1 . ILE 164 164 25441 1 . PRO 165 165 25441 1 . ARG 166 166 25441 1 . SER 167 167 25441 1 . GLN 168 168 25441 1 . GLU 169 169 25441 1 . SER 170 170 25441 1 . LYS 171 171 25441 1 . CYS 172 172 25441 1 . THR 173 173 25441 1 . GLU 174 174 25441 1 . TYR 175 175 25441 1 . ILE 176 176 25441 1 . ASN 177 177 25441 1 . THR 178 178 25441 1 . GLY 179 179 25441 1 . LEU 180 180 25441 1 . PRO 181 181 25441 1 . PRO 182 182 25441 1 . MET 183 183 25441 1 . GLN 184 184 25441 1 . ASN 185 185 25441 1 . THR 186 186 25441 1 . ARG 187 187 25441 1 . ASN 188 188 25441 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25441 _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 $VP8 . 10912 virus . Rotavirus 'human rotavirus' . . Viruses . . Rotavirus NIV929893 . . . . . . . . . . VP4 'P[19] VP8* domain of VP4 protein' 25441 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25441 _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 $VP8 . 'recombinant technology' 'human Rotovirus' . . . human Rotovirus NIV929893 . . . . . PGEX-4T-1 . . 'cloned into vector between BamHI and Sal1.' 25441 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25441 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VP8 '[U-100% 13C; U-100% 15N]' . . 1 $VP8 . . 1.1 . . mM 0.1 . . . 25441 1 2 Tris-HCl 'natural abundance' . . . . . . 10 . . mM .5 . . . 25441 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25441 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM .05 . . . 25441 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25441 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25441 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25441 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 25441 1 pH 8.0 . pH 25441 1 pressure 1 . atm 25441 1 temperature 293 . K 25441 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25441 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details linux loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25441 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25441 1 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25441 _Software.ID 2 _Software.Name PINE _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . http://pine.nmrfam.wisc.edu/ 25441 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25441 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25441 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'no cold probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25441 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'no cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25441 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance II' . 850 'no cold probe' . . 25441 1 2 spectrometer_2 Varian Inova . 600 'no cold probe' . . 25441 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25441 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25441 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25441 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25441 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25441 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25441 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25441 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25441 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25441 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25441 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25441 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25441 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25441 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'backbone assignments' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25441 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25441 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25441 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25441 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25441 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 $SPARKY . . 25441 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 20 20 PRO C C 13 176.6 0.2 . 1 1 . . . 4 PRO C . 25441 1 2 . 1 1 20 20 PRO CB C 13 32.1 0.2 . 1 1 . . . 4 PRO CB . 25441 1 3 . 1 1 21 21 VAL H H 1 8.34 0.02 . 1 1 . . . 5 VAL H . 25441 1 4 . 1 1 21 21 VAL C C 13 174.8 0.2 . 1 1 . . . 5 VAL C . 25441 1 5 . 1 1 21 21 VAL CA C 13 63.0 0.2 . 1 1 . . . 5 VAL CA . 25441 1 6 . 1 1 21 21 VAL CB C 13 32.9 0.2 . 1 1 . . . 5 VAL CB . 25441 1 7 . 1 1 21 21 VAL N N 15 120.6 0.2 . 1 1 . . . 5 VAL N . 25441 1 8 . 1 1 22 22 LEU H H 1 7.91 0.02 . 1 1 . . . 6 LEU H . 25441 1 9 . 1 1 22 22 LEU C C 13 175.4 0.2 . 1 1 . . . 6 LEU C . 25441 1 10 . 1 1 22 22 LEU CA C 13 54.6 0.2 . 1 1 . . . 6 LEU CA . 25441 1 11 . 1 1 22 22 LEU CB C 13 43.7 0.2 . 1 1 . . . 6 LEU CB . 25441 1 12 . 1 1 22 22 LEU N N 15 121.5 0.2 . 1 1 . . . 6 LEU N . 25441 1 13 . 1 1 23 23 ASP H H 1 8.63 0.02 . 1 1 . . . 7 ASP H . 25441 1 14 . 1 1 23 23 ASP C C 13 174.8 0.2 . 1 1 . . . 7 ASP C . 25441 1 15 . 1 1 23 23 ASP CA C 13 53.6 0.2 . 1 1 . . . 7 ASP CA . 25441 1 16 . 1 1 23 23 ASP CB C 13 42.3 0.2 . 1 1 . . . 7 ASP CB . 25441 1 17 . 1 1 23 23 ASP N N 15 125.1 0.2 . 1 1 . . . 7 ASP N . 25441 1 18 . 1 1 24 24 GLY H H 1 7.94 0.02 . 1 1 . . . 8 GLY H . 25441 1 19 . 1 1 24 24 GLY C C 13 170.3 0.2 . 1 1 . . . 8 GLY C . 25441 1 20 . 1 1 24 24 GLY CA C 13 44.3 0.2 . 1 1 . . . 8 GLY CA . 25441 1 21 . 1 1 24 24 GLY N N 15 112.0 0.2 . 1 1 . . . 8 GLY N . 25441 1 22 . 1 1 25 25 PRO C C 13 175.4 0.2 . 1 1 . . . 9 PRO C . 25441 1 23 . 1 1 25 25 PRO CA C 13 61.2 0.2 . 1 1 . . . 9 PRO CA . 25441 1 24 . 1 1 25 25 PRO CB C 13 34.2 0.2 . 1 1 . . . 9 PRO CB . 25441 1 25 . 1 1 26 26 TYR H H 1 9.07 0.02 . 1 1 . . . 10 TYR H . 25441 1 26 . 1 1 26 26 TYR C C 13 174.7 0.2 . 1 1 . . . 10 TYR C . 25441 1 27 . 1 1 26 26 TYR CA C 13 56.6 0.2 . 1 1 . . . 10 TYR CA . 25441 1 28 . 1 1 26 26 TYR CB C 13 39.5 0.2 . 1 1 . . . 10 TYR CB . 25441 1 29 . 1 1 26 26 TYR N N 15 122.5 0.2 . 1 1 . . . 10 TYR N . 25441 1 30 . 1 1 27 27 GLN H H 1 8.05 0.02 . 1 1 . . . 11 GLN H . 25441 1 31 . 1 1 27 27 GLN C C 13 172.9 0.2 . 1 1 . . . 11 GLN C . 25441 1 32 . 1 1 27 27 GLN CA C 13 54.0 0.2 . 1 1 . . . 11 GLN CA . 25441 1 33 . 1 1 27 27 GLN CB C 13 27.7 0.2 . 1 1 . . . 11 GLN CB . 25441 1 34 . 1 1 27 27 GLN N N 15 117.7 0.2 . 1 1 . . . 11 GLN N . 25441 1 35 . 1 1 28 28 PRO C C 13 175.6 0.2 . 1 1 . . . 12 PRO C . 25441 1 36 . 1 1 28 28 PRO CA C 13 64.4 0.2 . 1 1 . . . 12 PRO CA . 25441 1 37 . 1 1 28 28 PRO CB C 13 32.1 0.2 . 1 1 . . . 12 PRO CB . 25441 1 38 . 1 1 29 29 VAL H H 1 7.59 0.02 . 1 1 . . . 13 VAL H . 25441 1 39 . 1 1 29 29 VAL C C 13 173.5 0.2 . 1 1 . . . 13 VAL C . 25441 1 40 . 1 1 29 29 VAL CA C 13 60.9 0.2 . 1 1 . . . 13 VAL CA . 25441 1 41 . 1 1 29 29 VAL CB C 13 35.3 0.2 . 1 1 . . . 13 VAL CB . 25441 1 42 . 1 1 29 29 VAL N N 15 121.1 0.2 . 1 1 . . . 13 VAL N . 25441 1 43 . 1 1 30 30 THR H H 1 7.79 0.02 . 1 1 . . . 14 THR H . 25441 1 44 . 1 1 30 30 THR C C 13 174.1 0.2 . 1 1 . . . 14 THR C . 25441 1 45 . 1 1 30 30 THR CA C 13 62.4 0.2 . 1 1 . . . 14 THR CA . 25441 1 46 . 1 1 30 30 THR CB C 13 69.9 0.2 . 1 1 . . . 14 THR CB . 25441 1 47 . 1 1 30 30 THR N N 15 118.9 0.2 . 1 1 . . . 14 THR N . 25441 1 48 . 1 1 31 31 PHE H H 1 9.79 0.02 . 1 1 . . . 15 PHE H . 25441 1 49 . 1 1 31 31 PHE C C 13 171.8 0.2 . 1 1 . . . 15 PHE C . 25441 1 50 . 1 1 31 31 PHE CA C 13 54.9 0.2 . 1 1 . . . 15 PHE CA . 25441 1 51 . 1 1 31 31 PHE CB C 13 40.4 0.2 . 1 1 . . . 15 PHE CB . 25441 1 52 . 1 1 31 31 PHE N N 15 126.7 0.2 . 1 1 . . . 15 PHE N . 25441 1 53 . 1 1 34 34 PRO C C 13 176.2 0.2 . 1 1 . . . 18 PRO C . 25441 1 54 . 1 1 34 34 PRO CA C 13 61.9 0.2 . 1 1 . . . 18 PRO CA . 25441 1 55 . 1 1 34 34 PRO CB C 13 31.7 0.2 . 1 1 . . . 18 PRO CB . 25441 1 56 . 1 1 35 35 ASN H H 1 8.75 0.02 . 1 1 . . . 19 ASN H . 25441 1 57 . 1 1 35 35 ASN C C 13 176.4 0.2 . 1 1 . . . 19 ASN C . 25441 1 58 . 1 1 35 35 ASN CA C 13 53.9 0.2 . 1 1 . . . 19 ASN CA . 25441 1 59 . 1 1 35 35 ASN CB C 13 37.3 0.2 . 1 1 . . . 19 ASN CB . 25441 1 60 . 1 1 35 35 ASN N N 15 120.9 0.2 . 1 1 . . . 19 ASN N . 25441 1 61 . 1 1 36 36 ASP H H 1 9.42 0.02 . 1 1 . . . 20 ASP H . 25441 1 62 . 1 1 36 36 ASP C C 13 174.1 0.2 . 1 1 . . . 20 ASP C . 25441 1 63 . 1 1 36 36 ASP CA C 13 57.6 0.2 . 1 1 . . . 20 ASP CA . 25441 1 64 . 1 1 36 36 ASP CB C 13 37.5 0.2 . 1 1 . . . 20 ASP CB . 25441 1 65 . 1 1 36 36 ASP N N 15 111.2 0.2 . 1 1 . . . 20 ASP N . 25441 1 66 . 1 1 37 37 TYR H H 1 7.35 0.02 . 1 1 . . . 21 TYR H . 25441 1 67 . 1 1 37 37 TYR C C 13 175.1 0.2 . 1 1 . . . 21 TYR C . 25441 1 68 . 1 1 37 37 TYR CA C 13 58.2 0.2 . 1 1 . . . 21 TYR CA . 25441 1 69 . 1 1 37 37 TYR CB C 13 41.1 0.2 . 1 1 . . . 21 TYR CB . 25441 1 70 . 1 1 37 37 TYR N N 15 116.8 0.2 . 1 1 . . . 21 TYR N . 25441 1 71 . 1 1 38 38 TRP H H 1 9.76 0.02 . 1 1 . . . 22 TRP H . 25441 1 72 . 1 1 38 38 TRP C C 13 175.3 0.2 . 1 1 . . . 22 TRP C . 25441 1 73 . 1 1 38 38 TRP CA C 13 59.1 0.2 . 1 1 . . . 22 TRP CA . 25441 1 74 . 1 1 38 38 TRP CB C 13 31.2 0.2 . 1 1 . . . 22 TRP CB . 25441 1 75 . 1 1 38 38 TRP N N 15 125.4 0.2 . 1 1 . . . 22 TRP N . 25441 1 76 . 1 1 39 39 ILE H H 1 9.30 0.02 . 1 1 . . . 23 ILE H . 25441 1 77 . 1 1 39 39 ILE C C 13 175.1 0.2 . 1 1 . . . 23 ILE C . 25441 1 78 . 1 1 39 39 ILE CA C 13 58.7 0.2 . 1 1 . . . 23 ILE CA . 25441 1 79 . 1 1 39 39 ILE CB C 13 35.8 0.2 . 1 1 . . . 23 ILE CB . 25441 1 80 . 1 1 39 39 ILE N N 15 124.3 0.2 . 1 1 . . . 23 ILE N . 25441 1 81 . 1 1 40 40 LEU H H 1 9.58 0.02 . 1 1 . . . 24 LEU H . 25441 1 82 . 1 1 40 40 LEU C C 13 175.1 0.2 . 1 1 . . . 24 LEU C . 25441 1 83 . 1 1 40 40 LEU CA C 13 53.8 0.2 . 1 1 . . . 24 LEU CA . 25441 1 84 . 1 1 40 40 LEU CB C 13 44.8 0.2 . 1 1 . . . 24 LEU CB . 25441 1 85 . 1 1 40 40 LEU N N 15 129.6 0.2 . 1 1 . . . 24 LEU N . 25441 1 86 . 1 1 41 41 ILE H H 1 9.91 0.02 . 1 1 . . . 25 ILE H . 25441 1 87 . 1 1 41 41 ILE C C 13 174.8 0.2 . 1 1 . . . 25 ILE C . 25441 1 88 . 1 1 41 41 ILE CA C 13 61.5 0.2 . 1 1 . . . 25 ILE CA . 25441 1 89 . 1 1 41 41 ILE CB C 13 40.4 0.2 . 1 1 . . . 25 ILE CB . 25441 1 90 . 1 1 41 41 ILE N N 15 127.6 0.2 . 1 1 . . . 25 ILE N . 25441 1 91 . 1 1 42 42 ASN H H 1 8.83 0.02 . 1 1 . . . 26 ASN H . 25441 1 92 . 1 1 42 42 ASN C C 13 173.4 0.2 . 1 1 . . . 26 ASN C . 25441 1 93 . 1 1 42 42 ASN CA C 13 50.9 0.2 . 1 1 . . . 26 ASN CA . 25441 1 94 . 1 1 42 42 ASN CB C 13 38.1 0.2 . 1 1 . . . 26 ASN CB . 25441 1 95 . 1 1 42 42 ASN N N 15 126.0 0.2 . 1 1 . . . 26 ASN N . 25441 1 96 . 1 1 43 43 SER H H 1 7.62 0.02 . 1 1 . . . 27 SER H . 25441 1 97 . 1 1 43 43 SER C C 13 172.2 0.2 . 1 1 . . . 27 SER C . 25441 1 98 . 1 1 43 43 SER CA C 13 59.6 0.2 . 1 1 . . . 27 SER CA . 25441 1 99 . 1 1 43 43 SER CB C 13 64.5 0.2 . 1 1 . . . 27 SER CB . 25441 1 100 . 1 1 43 43 SER N N 15 117.9 0.2 . 1 1 . . . 27 SER N . 25441 1 101 . 1 1 46 46 ASN C C 13 175.3 0.2 . 1 1 . . . 30 ASN C . 25441 1 102 . 1 1 46 46 ASN CA C 13 53.8 0.2 . 1 1 . . . 30 ASN CA . 25441 1 103 . 1 1 46 46 ASN CB C 13 37.5 0.2 . 1 1 . . . 30 ASN CB . 25441 1 104 . 1 1 47 47 GLY H H 1 8.87 0.02 . 1 1 . . . 31 GLY H . 25441 1 105 . 1 1 47 47 GLY C C 13 173.7 0.2 . 1 1 . . . 31 GLY C . 25441 1 106 . 1 1 47 47 GLY CA C 13 44.6 0.2 . 1 1 . . . 31 GLY CA . 25441 1 107 . 1 1 47 47 GLY N N 15 106.0 0.2 . 1 1 . . . 31 GLY N . 25441 1 108 . 1 1 48 48 VAL H H 1 8.84 0.02 . 1 1 . . . 32 VAL H . 25441 1 109 . 1 1 48 48 VAL C C 13 176.3 0.2 . 1 1 . . . 32 VAL C . 25441 1 110 . 1 1 48 48 VAL CA C 13 64.6 0.2 . 1 1 . . . 32 VAL CA . 25441 1 111 . 1 1 48 48 VAL CB C 13 31.6 0.2 . 1 1 . . . 32 VAL CB . 25441 1 112 . 1 1 48 48 VAL N N 15 122.8 0.2 . 1 1 . . . 32 VAL N . 25441 1 113 . 1 1 49 49 VAL H H 1 9.33 0.02 . 1 1 . . . 33 VAL H . 25441 1 114 . 1 1 49 49 VAL C C 13 175.3 0.2 . 1 1 . . . 33 VAL C . 25441 1 115 . 1 1 49 49 VAL CA C 13 64.3 0.2 . 1 1 . . . 33 VAL CA . 25441 1 116 . 1 1 49 49 VAL CB C 13 34.2 0.2 . 1 1 . . . 33 VAL CB . 25441 1 117 . 1 1 49 49 VAL N N 15 127.4 0.2 . 1 1 . . . 33 VAL N . 25441 1 118 . 1 1 50 50 LEU H H 1 7.48 0.02 . 1 1 . . . 34 LEU H . 25441 1 119 . 1 1 50 50 LEU C C 13 174.3 0.2 . 1 1 . . . 34 LEU C . 25441 1 120 . 1 1 50 50 LEU CA C 13 53.6 0.2 . 1 1 . . . 34 LEU CA . 25441 1 121 . 1 1 50 50 LEU CB C 13 44.7 0.2 . 1 1 . . . 34 LEU CB . 25441 1 122 . 1 1 50 50 LEU N N 15 115.3 0.2 . 1 1 . . . 34 LEU N . 25441 1 123 . 1 1 51 51 GLU H H 1 8.77 0.02 . 1 1 . . . 35 GLU H . 25441 1 124 . 1 1 51 51 GLU C C 13 175.6 0.2 . 1 1 . . . 35 GLU C . 25441 1 125 . 1 1 51 51 GLU CA C 13 55.1 0.2 . 1 1 . . . 35 GLU CA . 25441 1 126 . 1 1 51 51 GLU CB C 13 34.3 0.2 . 1 1 . . . 35 GLU CB . 25441 1 127 . 1 1 51 51 GLU N N 15 121.3 0.2 . 1 1 . . . 35 GLU N . 25441 1 128 . 1 1 52 52 GLY H H 1 10.09 0.02 . 1 1 . . . 36 GLY H . 25441 1 129 . 1 1 52 52 GLY C C 13 171.6 0.2 . 1 1 . . . 36 GLY C . 25441 1 130 . 1 1 52 52 GLY CA C 13 45.6 0.2 . 1 1 . . . 36 GLY CA . 25441 1 131 . 1 1 52 52 GLY N N 15 109.5 0.2 . 1 1 . . . 36 GLY N . 25441 1 132 . 1 1 53 53 THR H H 1 8.71 0.02 . 1 1 . . . 37 THR H . 25441 1 133 . 1 1 53 53 THR C C 13 172.2 0.2 . 1 1 . . . 37 THR C . 25441 1 134 . 1 1 53 53 THR CA C 13 59.7 0.2 . 1 1 . . . 37 THR CA . 25441 1 135 . 1 1 53 53 THR CB C 13 70.0 0.2 . 1 1 . . . 37 THR CB . 25441 1 136 . 1 1 53 53 THR N N 15 115.3 0.2 . 1 1 . . . 37 THR N . 25441 1 137 . 1 1 54 54 ASN H H 1 7.15 0.02 . 1 1 . . . 38 ASN H . 25441 1 138 . 1 1 54 54 ASN C C 13 174.9 0.2 . 1 1 . . . 38 ASN C . 25441 1 139 . 1 1 54 54 ASN CA C 13 51.9 0.2 . 1 1 . . . 38 ASN CA . 25441 1 140 . 1 1 54 54 ASN CB C 13 38.7 0.2 . 1 1 . . . 38 ASN CB . 25441 1 141 . 1 1 54 54 ASN N N 15 121.7 0.2 . 1 1 . . . 38 ASN N . 25441 1 142 . 1 1 55 55 ASN H H 1 9.21 0.02 . 1 1 . . . 39 ASN H . 25441 1 143 . 1 1 55 55 ASN C C 13 173.9 0.2 . 1 1 . . . 39 ASN C . 25441 1 144 . 1 1 55 55 ASN CA C 13 55.8 0.2 . 1 1 . . . 39 ASN CA . 25441 1 145 . 1 1 55 55 ASN CB C 13 38.8 0.2 . 1 1 . . . 39 ASN CB . 25441 1 146 . 1 1 55 55 ASN N N 15 114.5 0.2 . 1 1 . . . 39 ASN N . 25441 1 147 . 1 1 56 56 THR H H 1 7.74 0.02 . 1 1 . . . 40 THR H . 25441 1 148 . 1 1 56 56 THR C C 13 173.5 0.2 . 1 1 . . . 40 THR C . 25441 1 149 . 1 1 56 56 THR CA C 13 62.7 0.2 . 1 1 . . . 40 THR CA . 25441 1 150 . 1 1 56 56 THR CB C 13 69.7 0.2 . 1 1 . . . 40 THR CB . 25441 1 151 . 1 1 56 56 THR N N 15 110.1 0.2 . 1 1 . . . 40 THR N . 25441 1 152 . 1 1 57 57 ASP H H 1 8.12 0.02 . 1 1 . . . 41 ASP H . 25441 1 153 . 1 1 57 57 ASP C C 13 175.5 0.2 . 1 1 . . . 41 ASP C . 25441 1 154 . 1 1 57 57 ASP CA C 13 52.8 0.2 . 1 1 . . . 41 ASP CA . 25441 1 155 . 1 1 57 57 ASP CB C 13 41.7 0.2 . 1 1 . . . 41 ASP CB . 25441 1 156 . 1 1 57 57 ASP N N 15 121.2 0.2 . 1 1 . . . 41 ASP N . 25441 1 157 . 1 1 58 58 VAL H H 1 7.58 0.02 . 1 1 . . . 42 VAL H . 25441 1 158 . 1 1 58 58 VAL C C 13 174.4 0.2 . 1 1 . . . 42 VAL C . 25441 1 159 . 1 1 58 58 VAL CA C 13 62.5 0.2 . 1 1 . . . 42 VAL CA . 25441 1 160 . 1 1 58 58 VAL CB C 13 37.1 0.2 . 1 1 . . . 42 VAL CB . 25441 1 161 . 1 1 58 58 VAL N N 15 117.9 0.2 . 1 1 . . . 42 VAL N . 25441 1 162 . 1 1 59 59 TRP H H 1 7.99 0.02 . 1 1 . . . 43 TRP H . 25441 1 163 . 1 1 59 59 TRP C C 13 172.8 0.2 . 1 1 . . . 43 TRP C . 25441 1 164 . 1 1 59 59 TRP CA C 13 59.6 0.2 . 1 1 . . . 43 TRP CA . 25441 1 165 . 1 1 59 59 TRP CB C 13 33.8 0.2 . 1 1 . . . 43 TRP CB . 25441 1 166 . 1 1 59 59 TRP N N 15 130.3 0.2 . 1 1 . . . 43 TRP N . 25441 1 167 . 1 1 60 60 VAL H H 1 9.80 0.02 . 1 1 . . . 44 VAL H . 25441 1 168 . 1 1 60 60 VAL C C 13 172.6 0.2 . 1 1 . . . 44 VAL C . 25441 1 169 . 1 1 60 60 VAL CA C 13 58.0 0.2 . 1 1 . . . 44 VAL CA . 25441 1 170 . 1 1 60 60 VAL CB C 13 35.9 0.2 . 1 1 . . . 44 VAL CB . 25441 1 171 . 1 1 60 60 VAL N N 15 120.3 0.2 . 1 1 . . . 44 VAL N . 25441 1 172 . 1 1 61 61 ALA H H 1 9.35 0.02 . 1 1 . . . 45 ALA H . 25441 1 173 . 1 1 61 61 ALA C C 13 175.4 0.2 . 1 1 . . . 45 ALA C . 25441 1 174 . 1 1 61 61 ALA CA C 13 50.8 0.2 . 1 1 . . . 45 ALA CA . 25441 1 175 . 1 1 61 61 ALA CB C 13 23.1 0.2 . 1 1 . . . 45 ALA CB . 25441 1 176 . 1 1 61 61 ALA N N 15 128.3 0.2 . 1 1 . . . 45 ALA N . 25441 1 177 . 1 1 62 62 ILE H H 1 8.38 0.02 . 1 1 . . . 46 ILE H . 25441 1 178 . 1 1 62 62 ILE C C 13 175.0 0.2 . 1 1 . . . 46 ILE C . 25441 1 179 . 1 1 62 62 ILE CA C 13 59.5 0.2 . 1 1 . . . 46 ILE CA . 25441 1 180 . 1 1 62 62 ILE CB C 13 40.3 0.2 . 1 1 . . . 46 ILE CB . 25441 1 181 . 1 1 62 62 ILE N N 15 120.9 0.2 . 1 1 . . . 46 ILE N . 25441 1 182 . 1 1 63 63 ILE H H 1 8.99 0.02 . 1 1 . . . 47 ILE H . 25441 1 183 . 1 1 63 63 ILE C C 13 174.2 0.2 . 1 1 . . . 47 ILE C . 25441 1 184 . 1 1 63 63 ILE CA C 13 59.9 0.2 . 1 1 . . . 47 ILE CA . 25441 1 185 . 1 1 63 63 ILE CB C 13 40.9 0.2 . 1 1 . . . 47 ILE CB . 25441 1 186 . 1 1 63 63 ILE N N 15 127.4 0.2 . 1 1 . . . 47 ILE N . 25441 1 187 . 1 1 64 64 SER H H 1 9.50 0.02 . 1 1 . . . 48 SER H . 25441 1 188 . 1 1 64 64 SER C C 13 174.7 0.2 . 1 1 . . . 48 SER C . 25441 1 189 . 1 1 64 64 SER CA C 13 56.2 0.2 . 1 1 . . . 48 SER CA . 25441 1 190 . 1 1 64 64 SER CB C 13 64.1 0.2 . 1 1 . . . 48 SER CB . 25441 1 191 . 1 1 64 64 SER N N 15 121.1 0.2 . 1 1 . . . 48 SER N . 25441 1 192 . 1 1 65 65 ILE H H 1 9.62 0.02 . 1 1 . . . 49 ILE H . 25441 1 193 . 1 1 65 65 ILE C C 13 172.6 0.2 . 1 1 . . . 49 ILE C . 25441 1 194 . 1 1 65 65 ILE CA C 13 61.6 0.2 . 1 1 . . . 49 ILE CA . 25441 1 195 . 1 1 65 65 ILE CB C 13 40.0 0.2 . 1 1 . . . 49 ILE CB . 25441 1 196 . 1 1 65 65 ILE N N 15 133.2 0.2 . 1 1 . . . 49 ILE N . 25441 1 197 . 1 1 66 66 GLU H H 1 10.29 0.02 . 1 1 . . . 50 GLU H . 25441 1 198 . 1 1 66 66 GLU C C 13 171.8 0.2 . 1 1 . . . 50 GLU C . 25441 1 199 . 1 1 66 66 GLU CA C 13 55.0 0.2 . 1 1 . . . 50 GLU CA . 25441 1 200 . 1 1 66 66 GLU N N 15 129.5 0.2 . 1 1 . . . 50 GLU N . 25441 1 201 . 1 1 67 67 PRO C C 13 176.6 0.2 . 1 1 . . . 51 PRO C . 25441 1 202 . 1 1 67 67 PRO CA C 13 62.9 0.2 . 1 1 . . . 51 PRO CA . 25441 1 203 . 1 1 67 67 PRO CB C 13 33.3 0.2 . 1 1 . . . 51 PRO CB . 25441 1 204 . 1 1 68 68 ASN H H 1 7.92 0.02 . 1 1 . . . 52 ASN H . 25441 1 205 . 1 1 68 68 ASN C C 13 173.6 0.2 . 1 1 . . . 52 ASN C . 25441 1 206 . 1 1 68 68 ASN CA C 13 55.1 0.2 . 1 1 . . . 52 ASN CA . 25441 1 207 . 1 1 68 68 ASN CB C 13 37.1 0.2 . 1 1 . . . 52 ASN CB . 25441 1 208 . 1 1 68 68 ASN N N 15 115.7 0.2 . 1 1 . . . 52 ASN N . 25441 1 209 . 1 1 69 69 VAL H H 1 8.38 0.02 . 1 1 . . . 53 VAL H . 25441 1 210 . 1 1 69 69 VAL C C 13 176.6 0.2 . 1 1 . . . 53 VAL C . 25441 1 211 . 1 1 69 69 VAL CA C 13 61.7 0.2 . 1 1 . . . 53 VAL CA . 25441 1 212 . 1 1 69 69 VAL CB C 13 35.6 0.2 . 1 1 . . . 53 VAL CB . 25441 1 213 . 1 1 69 69 VAL N N 15 122.5 0.2 . 1 1 . . . 53 VAL N . 25441 1 214 . 1 1 70 70 ASN H H 1 8.59 0.02 . 1 1 . . . 54 ASN H . 25441 1 215 . 1 1 70 70 ASN C C 13 173.9 0.2 . 1 1 . . . 54 ASN C . 25441 1 216 . 1 1 70 70 ASN CA C 13 53.0 0.2 . 1 1 . . . 54 ASN CA . 25441 1 217 . 1 1 70 70 ASN CB C 13 38.9 0.2 . 1 1 . . . 54 ASN CB . 25441 1 218 . 1 1 70 70 ASN N N 15 127.7 0.2 . 1 1 . . . 54 ASN N . 25441 1 219 . 1 1 71 71 SER H H 1 7.97 0.02 . 1 1 . . . 55 SER H . 25441 1 220 . 1 1 71 71 SER C C 13 175.6 0.2 . 1 1 . . . 55 SER C . 25441 1 221 . 1 1 71 71 SER CA C 13 59.1 0.2 . 1 1 . . . 55 SER CA . 25441 1 222 . 1 1 71 71 SER CB C 13 62.8 0.2 . 1 1 . . . 55 SER CB . 25441 1 223 . 1 1 71 71 SER N N 15 111.9 0.2 . 1 1 . . . 55 SER N . 25441 1 224 . 1 1 72 72 GLU H H 1 8.98 0.02 . 1 1 . . . 56 GLU H . 25441 1 225 . 1 1 72 72 GLU C C 13 174.0 0.2 . 1 1 . . . 56 GLU C . 25441 1 226 . 1 1 72 72 GLU CA C 13 55.1 0.2 . 1 1 . . . 56 GLU CA . 25441 1 227 . 1 1 72 72 GLU CB C 13 32.2 0.2 . 1 1 . . . 56 GLU CB . 25441 1 228 . 1 1 72 72 GLU N N 15 124.3 0.2 . 1 1 . . . 56 GLU N . 25441 1 229 . 1 1 73 73 SER H H 1 8.63 0.02 . 1 1 . . . 57 SER H . 25441 1 230 . 1 1 73 73 SER C C 13 174.5 0.2 . 1 1 . . . 57 SER C . 25441 1 231 . 1 1 73 73 SER CA C 13 57.7 0.2 . 1 1 . . . 57 SER CA . 25441 1 232 . 1 1 73 73 SER CB C 13 63.1 0.2 . 1 1 . . . 57 SER CB . 25441 1 233 . 1 1 73 73 SER N N 15 116.7 0.2 . 1 1 . . . 57 SER N . 25441 1 234 . 1 1 74 74 ARG H H 1 8.90 0.02 . 1 1 . . . 58 ARG H . 25441 1 235 . 1 1 74 74 ARG C C 13 172.9 0.2 . 1 1 . . . 58 ARG C . 25441 1 236 . 1 1 74 74 ARG CA C 13 55.5 0.2 . 1 1 . . . 58 ARG CA . 25441 1 237 . 1 1 74 74 ARG CB C 13 34.8 0.2 . 1 1 . . . 58 ARG CB . 25441 1 238 . 1 1 74 74 ARG N N 15 127.8 0.2 . 1 1 . . . 58 ARG N . 25441 1 239 . 1 1 75 75 GLN H H 1 7.90 0.02 . 1 1 . . . 59 GLN H . 25441 1 240 . 1 1 75 75 GLN C C 13 174.9 0.2 . 1 1 . . . 59 GLN C . 25441 1 241 . 1 1 75 75 GLN CA C 13 54.1 0.2 . 1 1 . . . 59 GLN CA . 25441 1 242 . 1 1 75 75 GLN CB C 13 31.0 0.2 . 1 1 . . . 59 GLN CB . 25441 1 243 . 1 1 75 75 GLN N N 15 118.8 0.2 . 1 1 . . . 59 GLN N . 25441 1 244 . 1 1 76 76 TYR H H 1 8.86 0.02 . 1 1 . . . 60 TYR H . 25441 1 245 . 1 1 76 76 TYR C C 13 174.0 0.2 . 1 1 . . . 60 TYR C . 25441 1 246 . 1 1 76 76 TYR CA C 13 56.5 0.2 . 1 1 . . . 60 TYR CA . 25441 1 247 . 1 1 76 76 TYR CB C 13 42.4 0.2 . 1 1 . . . 60 TYR CB . 25441 1 248 . 1 1 76 76 TYR N N 15 122.6 0.2 . 1 1 . . . 60 TYR N . 25441 1 249 . 1 1 77 77 SER H H 1 8.63 0.02 . 1 1 . . . 61 SER H . 25441 1 250 . 1 1 77 77 SER C C 13 173.7 0.2 . 1 1 . . . 61 SER C . 25441 1 251 . 1 1 77 77 SER CA C 13 56.6 0.2 . 1 1 . . . 61 SER CA . 25441 1 252 . 1 1 77 77 SER CB C 13 62.3 0.2 . 1 1 . . . 61 SER CB . 25441 1 253 . 1 1 77 77 SER N N 15 117.5 0.2 . 1 1 . . . 61 SER N . 25441 1 254 . 1 1 78 78 LEU H H 1 8.69 0.02 . 1 1 . . . 62 LEU H . 25441 1 255 . 1 1 78 78 LEU C C 13 176.1 0.2 . 1 1 . . . 62 LEU C . 25441 1 256 . 1 1 78 78 LEU CA C 13 52.7 0.2 . 1 1 . . . 62 LEU CA . 25441 1 257 . 1 1 78 78 LEU CB C 13 42.8 0.2 . 1 1 . . . 62 LEU CB . 25441 1 258 . 1 1 78 78 LEU N N 15 127.4 0.2 . 1 1 . . . 62 LEU N . 25441 1 259 . 1 1 79 79 PHE H H 1 9.69 0.02 . 1 1 . . . 63 PHE H . 25441 1 260 . 1 1 79 79 PHE C C 13 176.7 0.2 . 1 1 . . . 63 PHE C . 25441 1 261 . 1 1 79 79 PHE CA C 13 58.7 0.2 . 1 1 . . . 63 PHE CA . 25441 1 262 . 1 1 79 79 PHE CB C 13 35.5 0.2 . 1 1 . . . 63 PHE CB . 25441 1 263 . 1 1 79 79 PHE N N 15 125.3 0.2 . 1 1 . . . 63 PHE N . 25441 1 264 . 1 1 80 80 GLY H H 1 8.53 0.02 . 1 1 . . . 64 GLY H . 25441 1 265 . 1 1 80 80 GLY C C 13 173.8 0.2 . 1 1 . . . 64 GLY C . 25441 1 266 . 1 1 80 80 GLY CA C 13 45.3 0.2 . 1 1 . . . 64 GLY CA . 25441 1 267 . 1 1 80 80 GLY N N 15 103.4 0.2 . 1 1 . . . 64 GLY N . 25441 1 268 . 1 1 81 81 VAL H H 1 7.75 0.02 . 1 1 . . . 65 VAL H . 25441 1 269 . 1 1 81 81 VAL C C 13 174.8 0.2 . 1 1 . . . 65 VAL C . 25441 1 270 . 1 1 81 81 VAL CA C 13 61.1 0.2 . 1 1 . . . 65 VAL CA . 25441 1 271 . 1 1 81 81 VAL CB C 13 34.3 0.2 . 1 1 . . . 65 VAL CB . 25441 1 272 . 1 1 81 81 VAL N N 15 121.7 0.2 . 1 1 . . . 65 VAL N . 25441 1 273 . 1 1 82 82 ASN H H 1 8.69 0.02 . 1 1 . . . 66 ASN H . 25441 1 274 . 1 1 82 82 ASN C C 13 175.1 0.2 . 1 1 . . . 66 ASN C . 25441 1 275 . 1 1 82 82 ASN CA C 13 53.8 0.2 . 1 1 . . . 66 ASN CA . 25441 1 276 . 1 1 82 82 ASN CB C 13 38.7 0.2 . 1 1 . . . 66 ASN CB . 25441 1 277 . 1 1 82 82 ASN N N 15 125.1 0.2 . 1 1 . . . 66 ASN N . 25441 1 278 . 1 1 83 83 LYS H H 1 9.40 0.02 . 1 1 . . . 67 LYS H . 25441 1 279 . 1 1 83 83 LYS C C 13 174.8 0.2 . 1 1 . . . 67 LYS C . 25441 1 280 . 1 1 83 83 LYS CA C 13 53.5 0.2 . 1 1 . . . 67 LYS CA . 25441 1 281 . 1 1 83 83 LYS CB C 13 35.3 0.2 . 1 1 . . . 67 LYS CB . 25441 1 282 . 1 1 83 83 LYS N N 15 125.3 0.2 . 1 1 . . . 67 LYS N . 25441 1 283 . 1 1 84 84 GLN H H 1 8.58 0.02 . 1 1 . . . 68 GLN H . 25441 1 284 . 1 1 84 84 GLN C C 13 175.8 0.2 . 1 1 . . . 68 GLN C . 25441 1 285 . 1 1 84 84 GLN CA C 13 54.8 0.2 . 1 1 . . . 68 GLN CA . 25441 1 286 . 1 1 84 84 GLN CB C 13 29.4 0.2 . 1 1 . . . 68 GLN CB . 25441 1 287 . 1 1 84 84 GLN N N 15 122.3 0.2 . 1 1 . . . 68 GLN N . 25441 1 288 . 1 1 85 85 ILE H H 1 9.34 0.02 . 1 1 . . . 69 ILE H . 25441 1 289 . 1 1 85 85 ILE C C 13 175.0 0.2 . 1 1 . . . 69 ILE C . 25441 1 290 . 1 1 85 85 ILE CA C 13 60.4 0.2 . 1 1 . . . 69 ILE CA . 25441 1 291 . 1 1 85 85 ILE CB C 13 42.3 0.2 . 1 1 . . . 69 ILE CB . 25441 1 292 . 1 1 85 85 ILE N N 15 127.1 0.2 . 1 1 . . . 69 ILE N . 25441 1 293 . 1 1 86 86 THR H H 1 8.74 0.02 . 1 1 . . . 70 THR H . 25441 1 294 . 1 1 86 86 THR C C 13 174.0 0.2 . 1 1 . . . 70 THR C . 25441 1 295 . 1 1 86 86 THR CA C 13 63.3 0.2 . 1 1 . . . 70 THR CA . 25441 1 296 . 1 1 86 86 THR CB C 13 68.5 0.2 . 1 1 . . . 70 THR CB . 25441 1 297 . 1 1 86 86 THR N N 15 124.4 0.2 . 1 1 . . . 70 THR N . 25441 1 298 . 1 1 87 87 VAL H H 1 9.21 0.02 . 1 1 . . . 71 VAL H . 25441 1 299 . 1 1 87 87 VAL C C 13 172.3 0.2 . 1 1 . . . 71 VAL C . 25441 1 300 . 1 1 87 87 VAL CA C 13 58.8 0.2 . 1 1 . . . 71 VAL CA . 25441 1 301 . 1 1 87 87 VAL CB C 13 35.2 0.2 . 1 1 . . . 71 VAL CB . 25441 1 302 . 1 1 87 87 VAL N N 15 123.2 0.2 . 1 1 . . . 71 VAL N . 25441 1 303 . 1 1 88 88 VAL H H 1 8.04 0.02 . 1 1 . . . 72 VAL H . 25441 1 304 . 1 1 88 88 VAL C C 13 172.4 0.2 . 1 1 . . . 72 VAL C . 25441 1 305 . 1 1 88 88 VAL CA C 13 60.6 0.2 . 1 1 . . . 72 VAL CA . 25441 1 306 . 1 1 88 88 VAL CB C 13 34.3 0.2 . 1 1 . . . 72 VAL CB . 25441 1 307 . 1 1 88 88 VAL N N 15 116.4 0.2 . 1 1 . . . 72 VAL N . 25441 1 308 . 1 1 89 89 ASN H H 1 9.31 0.02 . 1 1 . . . 73 ASN H . 25441 1 309 . 1 1 89 89 ASN C C 13 174.9 0.2 . 1 1 . . . 73 ASN C . 25441 1 310 . 1 1 89 89 ASN CA C 13 52.8 0.2 . 1 1 . . . 73 ASN CA . 25441 1 311 . 1 1 89 89 ASN CB C 13 38.9 0.2 . 1 1 . . . 73 ASN CB . 25441 1 312 . 1 1 89 89 ASN N N 15 120.2 0.2 . 1 1 . . . 73 ASN N . 25441 1 313 . 1 1 90 90 THR C C 13 174.3 0.2 . 1 1 . . . 74 THR C . 25441 1 314 . 1 1 90 90 THR CA C 13 61.0 0.2 . 1 1 . . . 74 THR CA . 25441 1 315 . 1 1 90 90 THR CB C 13 68.0 0.2 . 1 1 . . . 74 THR CB . 25441 1 316 . 1 1 91 91 SER H H 1 7.56 0.02 . 1 1 . . . 75 SER H . 25441 1 317 . 1 1 91 91 SER C C 13 171.9 0.2 . 1 1 . . . 75 SER C . 25441 1 318 . 1 1 91 91 SER CA C 13 57.5 0.2 . 1 1 . . . 75 SER CA . 25441 1 319 . 1 1 91 91 SER CB C 13 65.3 0.2 . 1 1 . . . 75 SER CB . 25441 1 320 . 1 1 91 91 SER N N 15 117.2 0.2 . 1 1 . . . 75 SER N . 25441 1 321 . 1 1 92 92 ASN H H 1 8.16 0.02 . 1 1 . . . 76 ASN H . 25441 1 322 . 1 1 92 92 ASN C C 13 175.5 0.2 . 1 1 . . . 76 ASN C . 25441 1 323 . 1 1 92 92 ASN CA C 13 53.3 0.2 . 1 1 . . . 76 ASN CA . 25441 1 324 . 1 1 92 92 ASN CB C 13 38.8 0.2 . 1 1 . . . 76 ASN CB . 25441 1 325 . 1 1 92 92 ASN N N 15 116.5 0.2 . 1 1 . . . 76 ASN N . 25441 1 326 . 1 1 93 93 LYS H H 1 8.60 0.02 . 1 1 . . . 77 LYS H . 25441 1 327 . 1 1 93 93 LYS C C 13 174.7 0.2 . 1 1 . . . 77 LYS C . 25441 1 328 . 1 1 93 93 LYS CA C 13 55.5 0.2 . 1 1 . . . 77 LYS CA . 25441 1 329 . 1 1 93 93 LYS CB C 13 35.2 0.2 . 1 1 . . . 77 LYS CB . 25441 1 330 . 1 1 93 93 LYS N N 15 122.1 0.2 . 1 1 . . . 77 LYS N . 25441 1 331 . 1 1 94 94 TRP H H 1 8.10 0.02 . 1 1 . . . 78 TRP H . 25441 1 332 . 1 1 94 94 TRP C C 13 173.8 0.2 . 1 1 . . . 78 TRP C . 25441 1 333 . 1 1 94 94 TRP CA C 13 59.1 0.2 . 1 1 . . . 78 TRP CA . 25441 1 334 . 1 1 94 94 TRP N N 15 120.7 0.2 . 1 1 . . . 78 TRP N . 25441 1 335 . 1 1 95 95 LYS H H 1 8.83 0.02 . 1 1 . . . 79 LYS H . 25441 1 336 . 1 1 95 95 LYS C C 13 173.3 0.2 . 1 1 . . . 79 LYS C . 25441 1 337 . 1 1 95 95 LYS CA C 13 55.1 0.2 . 1 1 . . . 79 LYS CA . 25441 1 338 . 1 1 95 95 LYS CB C 13 37.0 0.2 . 1 1 . . . 79 LYS CB . 25441 1 339 . 1 1 95 95 LYS N N 15 124.1 0.2 . 1 1 . . . 79 LYS N . 25441 1 340 . 1 1 96 96 PHE H H 1 9.80 0.02 . 1 1 . . . 80 PHE H . 25441 1 341 . 1 1 96 96 PHE C C 13 177.5 0.2 . 1 1 . . . 80 PHE C . 25441 1 342 . 1 1 96 96 PHE CA C 13 55.8 0.2 . 1 1 . . . 80 PHE CA . 25441 1 343 . 1 1 96 96 PHE CB C 13 39.0 0.2 . 1 1 . . . 80 PHE CB . 25441 1 344 . 1 1 96 96 PHE N N 15 124.5 0.2 . 1 1 . . . 80 PHE N . 25441 1 345 . 1 1 97 97 MET H H 1 9.69 0.02 . 1 1 . . . 81 MET H . 25441 1 346 . 1 1 97 97 MET C C 13 173.6 0.2 . 1 1 . . . 81 MET C . 25441 1 347 . 1 1 97 97 MET CA C 13 55.6 0.2 . 1 1 . . . 81 MET CA . 25441 1 348 . 1 1 97 97 MET CB C 13 36.4 0.2 . 1 1 . . . 81 MET CB . 25441 1 349 . 1 1 97 97 MET N N 15 124.7 0.2 . 1 1 . . . 81 MET N . 25441 1 350 . 1 1 98 98 GLU H H 1 9.07 0.02 . 1 1 . . . 82 GLU H . 25441 1 351 . 1 1 98 98 GLU C C 13 174.7 0.2 . 1 1 . . . 82 GLU C . 25441 1 352 . 1 1 98 98 GLU CA C 13 56.2 0.2 . 1 1 . . . 82 GLU CA . 25441 1 353 . 1 1 98 98 GLU CB C 13 30.1 0.2 . 1 1 . . . 82 GLU CB . 25441 1 354 . 1 1 98 98 GLU N N 15 126.4 0.2 . 1 1 . . . 82 GLU N . 25441 1 355 . 1 1 99 99 MET H H 1 9.65 0.02 . 1 1 . . . 83 MET H . 25441 1 356 . 1 1 99 99 MET C C 13 176.5 0.2 . 1 1 . . . 83 MET C . 25441 1 357 . 1 1 99 99 MET CA C 13 51.9 0.2 . 1 1 . . . 83 MET CA . 25441 1 358 . 1 1 99 99 MET CB C 13 30.5 0.2 . 1 1 . . . 83 MET CB . 25441 1 359 . 1 1 99 99 MET N N 15 127.1 0.2 . 1 1 . . . 83 MET N . 25441 1 360 . 1 1 100 100 PHE H H 1 9.84 0.02 . 1 1 . . . 84 PHE H . 25441 1 361 . 1 1 100 100 PHE C C 13 175.2 0.2 . 1 1 . . . 84 PHE C . 25441 1 362 . 1 1 100 100 PHE CA C 13 57.5 0.2 . 1 1 . . . 84 PHE CA . 25441 1 363 . 1 1 100 100 PHE CB C 13 47.0 0.2 . 1 1 . . . 84 PHE CB . 25441 1 364 . 1 1 100 100 PHE N N 15 123.3 0.2 . 1 1 . . . 84 PHE N . 25441 1 365 . 1 1 101 101 ARG H H 1 8.08 0.02 . 1 1 . . . 85 ARG H . 25441 1 366 . 1 1 101 101 ARG C C 13 172.9 0.2 . 1 1 . . . 85 ARG C . 25441 1 367 . 1 1 101 101 ARG CA C 13 56.0 0.2 . 1 1 . . . 85 ARG CA . 25441 1 368 . 1 1 101 101 ARG CB C 13 30.8 0.2 . 1 1 . . . 85 ARG CB . 25441 1 369 . 1 1 101 101 ARG N N 15 122.7 0.2 . 1 1 . . . 85 ARG N . 25441 1 370 . 1 1 102 102 ASN H H 1 8.58 0.02 . 1 1 . . . 86 ASN H . 25441 1 371 . 1 1 102 102 ASN C C 13 174.4 0.2 . 1 1 . . . 86 ASN C . 25441 1 372 . 1 1 102 102 ASN CA C 13 51.1 0.2 . 1 1 . . . 86 ASN CA . 25441 1 373 . 1 1 102 102 ASN CB C 13 40.0 0.2 . 1 1 . . . 86 ASN CB . 25441 1 374 . 1 1 102 102 ASN N N 15 115.1 0.2 . 1 1 . . . 86 ASN N . 25441 1 375 . 1 1 103 103 ASN H H 1 6.68 0.02 . 1 1 . . . 87 ASN H . 25441 1 376 . 1 1 103 103 ASN C C 13 174.3 0.2 . 1 1 . . . 87 ASN C . 25441 1 377 . 1 1 103 103 ASN CA C 13 53.0 0.2 . 1 1 . . . 87 ASN CA . 25441 1 378 . 1 1 103 103 ASN CB C 13 42.0 0.2 . 1 1 . . . 87 ASN CB . 25441 1 379 . 1 1 103 103 ASN N N 15 113.4 0.2 . 1 1 . . . 87 ASN N . 25441 1 380 . 1 1 104 104 SER C C 13 173.7 0.2 . 1 1 . . . 88 SER C . 25441 1 381 . 1 1 104 104 SER CA C 13 59.9 0.2 . 1 1 . . . 88 SER CA . 25441 1 382 . 1 1 104 104 SER CB C 13 62.8 0.2 . 1 1 . . . 88 SER CB . 25441 1 383 . 1 1 105 105 ASN H H 1 8.12 0.02 . 1 1 . . . 89 ASN H . 25441 1 384 . 1 1 105 105 ASN C C 13 174.6 0.2 . 1 1 . . . 89 ASN C . 25441 1 385 . 1 1 105 105 ASN CA C 13 52.6 0.2 . 1 1 . . . 89 ASN CA . 25441 1 386 . 1 1 105 105 ASN CB C 13 39.3 0.2 . 1 1 . . . 89 ASN CB . 25441 1 387 . 1 1 105 105 ASN N N 15 117.7 0.2 . 1 1 . . . 89 ASN N . 25441 1 388 . 1 1 106 106 ALA H H 1 6.82 0.02 . 1 1 . . . 90 ALA H . 25441 1 389 . 1 1 106 106 ALA C C 13 176.8 0.2 . 1 1 . . . 90 ALA C . 25441 1 390 . 1 1 106 106 ALA CA C 13 51.0 0.2 . 1 1 . . . 90 ALA CA . 25441 1 391 . 1 1 106 106 ALA CB C 13 21.6 0.2 . 1 1 . . . 90 ALA CB . 25441 1 392 . 1 1 106 106 ALA N N 15 122.2 0.2 . 1 1 . . . 90 ALA N . 25441 1 393 . 1 1 107 107 GLU H H 1 8.38 0.02 . 1 1 . . . 91 GLU H . 25441 1 394 . 1 1 107 107 GLU C C 13 176.8 0.2 . 1 1 . . . 91 GLU C . 25441 1 395 . 1 1 107 107 GLU CA C 13 54.5 0.2 . 1 1 . . . 91 GLU CA . 25441 1 396 . 1 1 107 107 GLU CB C 13 30.2 0.2 . 1 1 . . . 91 GLU CB . 25441 1 397 . 1 1 107 107 GLU N N 15 118.7 0.2 . 1 1 . . . 91 GLU N . 25441 1 398 . 1 1 108 108 PHE H H 1 9.27 0.02 . 1 1 . . . 92 PHE H . 25441 1 399 . 1 1 108 108 PHE C C 13 176.0 0.2 . 1 1 . . . 92 PHE C . 25441 1 400 . 1 1 108 108 PHE CA C 13 60.4 0.2 . 1 1 . . . 92 PHE CA . 25441 1 401 . 1 1 108 108 PHE CB C 13 40.4 0.2 . 1 1 . . . 92 PHE CB . 25441 1 402 . 1 1 108 108 PHE N N 15 119.8 0.2 . 1 1 . . . 92 PHE N . 25441 1 403 . 1 1 109 109 GLN H H 1 9.10 0.02 . 1 1 . . . 93 GLN H . 25441 1 404 . 1 1 109 109 GLN C C 13 175.9 0.2 . 1 1 . . . 93 GLN C . 25441 1 405 . 1 1 109 109 GLN CA C 13 53.9 0.2 . 1 1 . . . 93 GLN CA . 25441 1 406 . 1 1 109 109 GLN CB C 13 31.9 0.2 . 1 1 . . . 93 GLN CB . 25441 1 407 . 1 1 109 109 GLN N N 15 120.6 0.2 . 1 1 . . . 93 GLN N . 25441 1 408 . 1 1 110 110 HIS C C 13 174.2 0.2 . 1 1 . . . 94 HIS C . 25441 1 409 . 1 1 110 110 HIS CA C 13 54.5 0.2 . 1 1 . . . 94 HIS CA . 25441 1 410 . 1 1 111 111 LYS H H 1 9.41 0.02 . 1 1 . . . 95 LYS H . 25441 1 411 . 1 1 111 111 LYS C C 13 175.6 0.2 . 1 1 . . . 95 LYS C . 25441 1 412 . 1 1 111 111 LYS CA C 13 58.6 0.2 . 1 1 . . . 95 LYS CA . 25441 1 413 . 1 1 111 111 LYS CB C 13 36.0 0.2 . 1 1 . . . 95 LYS CB . 25441 1 414 . 1 1 111 111 LYS N N 15 133.4 0.2 . 1 1 . . . 95 LYS N . 25441 1 415 . 1 1 112 112 ARG H H 1 7.67 0.02 . 1 1 . . . 96 ARG H . 25441 1 416 . 1 1 112 112 ARG C C 13 175.6 0.2 . 1 1 . . . 96 ARG C . 25441 1 417 . 1 1 112 112 ARG CA C 13 55.2 0.2 . 1 1 . . . 96 ARG CA . 25441 1 418 . 1 1 112 112 ARG CB C 13 38.8 0.2 . 1 1 . . . 96 ARG CB . 25441 1 419 . 1 1 112 112 ARG N N 15 115.2 0.2 . 1 1 . . . 96 ARG N . 25441 1 420 . 1 1 113 113 THR H H 1 9.42 0.02 . 1 1 . . . 97 THR H . 25441 1 421 . 1 1 113 113 THR C C 13 172.3 0.2 . 1 1 . . . 97 THR C . 25441 1 422 . 1 1 113 113 THR CA C 13 62.5 0.2 . 1 1 . . . 97 THR CA . 25441 1 423 . 1 1 113 113 THR CB C 13 71.8 0.2 . 1 1 . . . 97 THR CB . 25441 1 424 . 1 1 113 113 THR N N 15 118.3 0.2 . 1 1 . . . 97 THR N . 25441 1 425 . 1 1 114 114 LEU H H 1 9.30 0.02 . 1 1 . . . 98 LEU H . 25441 1 426 . 1 1 114 114 LEU C C 13 174.5 0.2 . 1 1 . . . 98 LEU C . 25441 1 427 . 1 1 114 114 LEU CA C 13 53.7 0.2 . 1 1 . . . 98 LEU CA . 25441 1 428 . 1 1 114 114 LEU CB C 13 45.5 0.2 . 1 1 . . . 98 LEU CB . 25441 1 429 . 1 1 114 114 LEU N N 15 130.7 0.2 . 1 1 . . . 98 LEU N . 25441 1 430 . 1 1 115 115 THR H H 1 9.59 0.02 . 1 1 . . . 99 THR H . 25441 1 431 . 1 1 115 115 THR C C 13 174.7 0.2 . 1 1 . . . 99 THR C . 25441 1 432 . 1 1 115 115 THR CA C 13 62.4 0.2 . 1 1 . . . 99 THR CA . 25441 1 433 . 1 1 115 115 THR CB C 13 68.9 0.2 . 1 1 . . . 99 THR CB . 25441 1 434 . 1 1 115 115 THR N N 15 127.4 0.2 . 1 1 . . . 99 THR N . 25441 1 435 . 1 1 116 116 SER H H 1 10.02 0.02 . 1 1 . . . 100 SER H . 25441 1 436 . 1 1 116 116 SER C C 13 175.6 0.2 . 1 1 . . . 100 SER C . 25441 1 437 . 1 1 116 116 SER CA C 13 55.7 0.2 . 1 1 . . . 100 SER CA . 25441 1 438 . 1 1 116 116 SER CB C 13 66.2 0.2 . 1 1 . . . 100 SER CB . 25441 1 439 . 1 1 116 116 SER N N 15 119.7 0.2 . 1 1 . . . 100 SER N . 25441 1 440 . 1 1 117 117 SER H H 1 8.28 0.02 . 1 1 . . . 101 SER H . 25441 1 441 . 1 1 117 117 SER C C 13 174.7 0.2 . 1 1 . . . 101 SER C . 25441 1 442 . 1 1 117 117 SER CA C 13 58.8 0.2 . 1 1 . . . 101 SER CA . 25441 1 443 . 1 1 117 117 SER CB C 13 64.1 0.2 . 1 1 . . . 101 SER CB . 25441 1 444 . 1 1 117 117 SER N N 15 121.4 0.2 . 1 1 . . . 101 SER N . 25441 1 445 . 1 1 118 118 THR H H 1 8.56 0.02 . 1 1 . . . 102 THR H . 25441 1 446 . 1 1 118 118 THR C C 13 174.8 0.2 . 1 1 . . . 102 THR C . 25441 1 447 . 1 1 118 118 THR CA C 13 61.9 0.2 . 1 1 . . . 102 THR CA . 25441 1 448 . 1 1 118 118 THR CB C 13 69.7 0.2 . 1 1 . . . 102 THR CB . 25441 1 449 . 1 1 118 118 THR N N 15 114.1 0.2 . 1 1 . . . 102 THR N . 25441 1 450 . 1 1 119 119 LYS H H 1 8.01 0.02 . 1 1 . . . 103 LYS H . 25441 1 451 . 1 1 119 119 LYS C C 13 173.1 0.2 . 1 1 . . . 103 LYS C . 25441 1 452 . 1 1 119 119 LYS CA C 13 59.5 0.2 . 1 1 . . . 103 LYS CA . 25441 1 453 . 1 1 119 119 LYS CB C 13 27.9 0.2 . 1 1 . . . 103 LYS CB . 25441 1 454 . 1 1 119 119 LYS N N 15 111.2 0.2 . 1 1 . . . 103 LYS N . 25441 1 455 . 1 1 120 120 LEU H H 1 7.01 0.02 . 1 1 . . . 104 LEU H . 25441 1 456 . 1 1 120 120 LEU C C 13 175.2 0.2 . 1 1 . . . 104 LEU C . 25441 1 457 . 1 1 120 120 LEU CA C 13 53.7 0.2 . 1 1 . . . 104 LEU CA . 25441 1 458 . 1 1 120 120 LEU CB C 13 44.0 0.2 . 1 1 . . . 104 LEU CB . 25441 1 459 . 1 1 120 120 LEU N N 15 118.7 0.2 . 1 1 . . . 104 LEU N . 25441 1 460 . 1 1 121 121 VAL H H 1 8.14 0.02 . 1 1 . . . 105 VAL H . 25441 1 461 . 1 1 121 121 VAL C C 13 174.1 0.2 . 1 1 . . . 105 VAL C . 25441 1 462 . 1 1 121 121 VAL CA C 13 59.9 0.2 . 1 1 . . . 105 VAL CA . 25441 1 463 . 1 1 121 121 VAL CB C 13 35.5 0.2 . 1 1 . . . 105 VAL CB . 25441 1 464 . 1 1 121 121 VAL N N 15 116.5 0.2 . 1 1 . . . 105 VAL N . 25441 1 465 . 1 1 122 122 GLY H H 1 8.27 0.02 . 1 1 . . . 106 GLY H . 25441 1 466 . 1 1 122 122 GLY C C 13 173.3 0.2 . 1 1 . . . 106 GLY C . 25441 1 467 . 1 1 122 122 GLY CA C 13 44.5 0.2 . 1 1 . . . 106 GLY CA . 25441 1 468 . 1 1 122 122 GLY N N 15 109.7 0.2 . 1 1 . . . 106 GLY N . 25441 1 469 . 1 1 123 123 ILE H H 1 9.22 0.02 . 1 1 . . . 107 ILE H . 25441 1 470 . 1 1 123 123 ILE C C 13 171.9 0.2 . 1 1 . . . 107 ILE C . 25441 1 471 . 1 1 123 123 ILE CA C 13 61.0 0.2 . 1 1 . . . 107 ILE CA . 25441 1 472 . 1 1 123 123 ILE CB C 13 42.2 0.2 . 1 1 . . . 107 ILE CB . 25441 1 473 . 1 1 123 123 ILE N N 15 119.7 0.2 . 1 1 . . . 107 ILE N . 25441 1 474 . 1 1 124 124 LEU H H 1 8.24 0.02 . 1 1 . . . 108 LEU H . 25441 1 475 . 1 1 124 124 LEU C C 13 175.1 0.2 . 1 1 . . . 108 LEU C . 25441 1 476 . 1 1 124 124 LEU CA C 13 53.8 0.2 . 1 1 . . . 108 LEU CA . 25441 1 477 . 1 1 124 124 LEU CB C 13 43.1 0.2 . 1 1 . . . 108 LEU CB . 25441 1 478 . 1 1 124 124 LEU N N 15 127.7 0.2 . 1 1 . . . 108 LEU N . 25441 1 479 . 1 1 125 125 LYS H H 1 9.11 0.02 . 1 1 . . . 109 LYS H . 25441 1 480 . 1 1 125 125 LYS C C 13 174.4 0.2 . 1 1 . . . 109 LYS C . 25441 1 481 . 1 1 125 125 LYS CA C 13 55.1 0.2 . 1 1 . . . 109 LYS CA . 25441 1 482 . 1 1 125 125 LYS CB C 13 32.3 0.2 . 1 1 . . . 109 LYS CB . 25441 1 483 . 1 1 125 125 LYS N N 15 126.9 0.2 . 1 1 . . . 109 LYS N . 25441 1 484 . 1 1 126 126 HIS H H 1 9.17 0.02 . 1 1 . . . 110 HIS H . 25441 1 485 . 1 1 126 126 HIS C C 13 176.2 0.2 . 1 1 . . . 110 HIS C . 25441 1 486 . 1 1 126 126 HIS CA C 13 57.6 0.2 . 1 1 . . . 110 HIS CA . 25441 1 487 . 1 1 126 126 HIS CB C 13 32.5 0.2 . 1 1 . . . 110 HIS CB . 25441 1 488 . 1 1 126 126 HIS N N 15 122.0 0.2 . 1 1 . . . 110 HIS N . 25441 1 489 . 1 1 128 128 GLY C C 13 172.4 0.2 . 1 1 . . . 112 GLY C . 25441 1 490 . 1 1 128 128 GLY CA C 13 45.7 0.2 . 1 1 . . . 112 GLY CA . 25441 1 491 . 1 1 129 129 ARG H H 1 7.49 0.02 . 1 1 . . . 113 ARG H . 25441 1 492 . 1 1 129 129 ARG C C 13 171.4 0.2 . 1 1 . . . 113 ARG C . 25441 1 493 . 1 1 129 129 ARG CA C 13 54.2 0.2 . 1 1 . . . 113 ARG CA . 25441 1 494 . 1 1 129 129 ARG CB C 13 36.1 0.2 . 1 1 . . . 113 ARG CB . 25441 1 495 . 1 1 129 129 ARG N N 15 117.8 0.2 . 1 1 . . . 113 ARG N . 25441 1 496 . 1 1 130 130 LEU H H 1 8.27 0.02 . 1 1 . . . 114 LEU H . 25441 1 497 . 1 1 130 130 LEU C C 13 176.4 0.2 . 1 1 . . . 114 LEU C . 25441 1 498 . 1 1 130 130 LEU CA C 13 52.4 0.2 . 1 1 . . . 114 LEU CA . 25441 1 499 . 1 1 130 130 LEU CB C 13 46.0 0.2 . 1 1 . . . 114 LEU CB . 25441 1 500 . 1 1 130 130 LEU N N 15 121.8 0.2 . 1 1 . . . 114 LEU N . 25441 1 501 . 1 1 131 131 TRP H H 1 10.15 0.02 . 1 1 . . . 115 TRP H . 25441 1 502 . 1 1 131 131 TRP C C 13 174.6 0.2 . 1 1 . . . 115 TRP C . 25441 1 503 . 1 1 131 131 TRP CA C 13 56.2 0.2 . 1 1 . . . 115 TRP CA . 25441 1 504 . 1 1 131 131 TRP CB C 13 30.9 0.2 . 1 1 . . . 115 TRP CB . 25441 1 505 . 1 1 131 131 TRP N N 15 130.7 0.2 . 1 1 . . . 115 TRP N . 25441 1 506 . 1 1 132 132 THR H H 1 8.70 0.02 . 1 1 . . . 116 THR H . 25441 1 507 . 1 1 132 132 THR C C 13 173.4 0.2 . 1 1 . . . 116 THR C . 25441 1 508 . 1 1 132 132 THR CA C 13 59.2 0.2 . 1 1 . . . 116 THR CA . 25441 1 509 . 1 1 132 132 THR CB C 13 72.7 0.2 . 1 1 . . . 116 THR CB . 25441 1 510 . 1 1 132 132 THR N N 15 111.0 0.2 . 1 1 . . . 116 THR N . 25441 1 511 . 1 1 133 133 TYR H H 1 9.52 0.02 . 1 1 . . . 117 TYR H . 25441 1 512 . 1 1 133 133 TYR C C 13 176.2 0.2 . 1 1 . . . 117 TYR C . 25441 1 513 . 1 1 133 133 TYR CA C 13 58.1 0.2 . 1 1 . . . 117 TYR CA . 25441 1 514 . 1 1 133 133 TYR CB C 13 41.6 0.2 . 1 1 . . . 117 TYR CB . 25441 1 515 . 1 1 133 133 TYR N N 15 117.0 0.2 . 1 1 . . . 117 TYR N . 25441 1 516 . 1 1 134 134 HIS H H 1 9.84 0.02 . 1 1 . . . 118 HIS H . 25441 1 517 . 1 1 134 134 HIS C C 13 172.9 0.2 . 1 1 . . . 118 HIS C . 25441 1 518 . 1 1 134 134 HIS CA C 13 55.4 0.2 . 1 1 . . . 118 HIS CA . 25441 1 519 . 1 1 134 134 HIS CB C 13 34.7 0.2 . 1 1 . . . 118 HIS CB . 25441 1 520 . 1 1 134 134 HIS N N 15 116.7 0.2 . 1 1 . . . 118 HIS N . 25441 1 521 . 1 1 135 135 GLY H H 1 9.00 0.02 . 1 1 . . . 119 GLY H . 25441 1 522 . 1 1 135 135 GLY C C 13 172.9 0.2 . 1 1 . . . 119 GLY C . 25441 1 523 . 1 1 135 135 GLY CA C 13 43.6 0.2 . 1 1 . . . 119 GLY CA . 25441 1 524 . 1 1 135 135 GLY N N 15 106.5 0.2 . 1 1 . . . 119 GLY N . 25441 1 525 . 1 1 136 136 GLU H H 1 8.74 0.02 . 1 1 . . . 120 GLU H . 25441 1 526 . 1 1 136 136 GLU C C 13 177.8 0.2 . 1 1 . . . 120 GLU C . 25441 1 527 . 1 1 136 136 GLU CA C 13 53.4 0.2 . 1 1 . . . 120 GLU CA . 25441 1 528 . 1 1 136 136 GLU CB C 13 31.6 0.2 . 1 1 . . . 120 GLU CB . 25441 1 529 . 1 1 136 136 GLU N N 15 123.1 0.2 . 1 1 . . . 120 GLU N . 25441 1 530 . 1 1 137 137 THR H H 1 9.18 0.02 . 1 1 . . . 121 THR H . 25441 1 531 . 1 1 137 137 THR C C 13 173.8 0.2 . 1 1 . . . 121 THR C . 25441 1 532 . 1 1 137 137 THR CA C 13 61.4 0.2 . 1 1 . . . 121 THR CA . 25441 1 533 . 1 1 137 137 THR CB C 13 67.9 0.2 . 1 1 . . . 121 THR CB . 25441 1 534 . 1 1 137 137 THR N N 15 120.8 0.2 . 1 1 . . . 121 THR N . 25441 1 535 . 1 1 138 138 PRO C C 13 174.0 0.2 . 1 1 . . . 122 PRO C . 25441 1 536 . 1 1 138 138 PRO CA C 13 63.8 0.2 . 1 1 . . . 122 PRO CA . 25441 1 537 . 1 1 138 138 PRO CB C 13 31.6 0.2 . 1 1 . . . 122 PRO CB . 25441 1 538 . 1 1 139 139 ASN H H 1 9.18 0.02 . 1 1 . . . 123 ASN H . 25441 1 539 . 1 1 139 139 ASN C C 13 174.9 0.2 . 1 1 . . . 123 ASN C . 25441 1 540 . 1 1 139 139 ASN CA C 13 52.9 0.2 . 1 1 . . . 123 ASN CA . 25441 1 541 . 1 1 139 139 ASN CB C 13 40.3 0.2 . 1 1 . . . 123 ASN CB . 25441 1 542 . 1 1 139 139 ASN N N 15 122.4 0.2 . 1 1 . . . 123 ASN N . 25441 1 543 . 1 1 140 140 ALA H H 1 9.58 0.02 . 1 1 . . . 124 ALA H . 25441 1 544 . 1 1 140 140 ALA C C 13 178.4 0.2 . 1 1 . . . 124 ALA C . 25441 1 545 . 1 1 140 140 ALA CA C 13 53.6 0.2 . 1 1 . . . 124 ALA CA . 25441 1 546 . 1 1 140 140 ALA CB C 13 19.7 0.2 . 1 1 . . . 124 ALA CB . 25441 1 547 . 1 1 140 140 ALA N N 15 126.4 0.2 . 1 1 . . . 124 ALA N . 25441 1 548 . 1 1 141 141 THR H H 1 8.72 0.02 . 1 1 . . . 125 THR H . 25441 1 549 . 1 1 141 141 THR C C 13 173.4 0.2 . 1 1 . . . 125 THR C . 25441 1 550 . 1 1 141 141 THR CA C 13 59.7 0.2 . 1 1 . . . 125 THR CA . 25441 1 551 . 1 1 141 141 THR CB C 13 71.7 0.2 . 1 1 . . . 125 THR CB . 25441 1 552 . 1 1 141 141 THR N N 15 113.0 0.2 . 1 1 . . . 125 THR N . 25441 1 553 . 1 1 142 142 THR H H 1 8.11 0.02 . 1 1 . . . 126 THR H . 25441 1 554 . 1 1 142 142 THR C C 13 175.4 0.2 . 1 1 . . . 126 THR C . 25441 1 555 . 1 1 142 142 THR CA C 13 60.4 0.2 . 1 1 . . . 126 THR CA . 25441 1 556 . 1 1 142 142 THR CB C 13 72.1 0.2 . 1 1 . . . 126 THR CB . 25441 1 557 . 1 1 142 142 THR N N 15 109.8 0.2 . 1 1 . . . 126 THR N . 25441 1 558 . 1 1 143 143 ASP H H 1 9.47 0.02 . 1 1 . . . 127 ASP H . 25441 1 559 . 1 1 143 143 ASP C C 13 174.0 0.2 . 1 1 . . . 127 ASP C . 25441 1 560 . 1 1 143 143 ASP CA C 13 53.4 0.2 . 1 1 . . . 127 ASP CA . 25441 1 561 . 1 1 143 143 ASP CB C 13 44.4 0.2 . 1 1 . . . 127 ASP CB . 25441 1 562 . 1 1 143 143 ASP N N 15 118.9 0.2 . 1 1 . . . 127 ASP N . 25441 1 563 . 1 1 144 144 TYR H H 1 7.86 0.02 . 1 1 . . . 128 TYR H . 25441 1 564 . 1 1 144 144 TYR C C 13 176.4 0.2 . 1 1 . . . 128 TYR C . 25441 1 565 . 1 1 144 144 TYR CA C 13 55.3 0.2 . 1 1 . . . 128 TYR CA . 25441 1 566 . 1 1 144 144 TYR CB C 13 41.1 0.2 . 1 1 . . . 128 TYR CB . 25441 1 567 . 1 1 144 144 TYR N N 15 112.3 0.2 . 1 1 . . . 128 TYR N . 25441 1 568 . 1 1 145 145 SER H H 1 8.78 0.02 . 1 1 . . . 129 SER H . 25441 1 569 . 1 1 145 145 SER C C 13 173.1 0.2 . 1 1 . . . 129 SER C . 25441 1 570 . 1 1 145 145 SER CA C 13 57.4 0.2 . 1 1 . . . 129 SER CA . 25441 1 571 . 1 1 145 145 SER CB C 13 64.6 0.2 . 1 1 . . . 129 SER CB . 25441 1 572 . 1 1 145 145 SER N N 15 117.3 0.2 . 1 1 . . . 129 SER N . 25441 1 573 . 1 1 146 146 THR C C 13 172.2 0.2 . 1 1 . . . 130 THR C . 25441 1 574 . 1 1 146 146 THR CA C 13 62.0 0.2 . 1 1 . . . 130 THR CA . 25441 1 575 . 1 1 146 146 THR CB C 13 70.2 0.2 . 1 1 . . . 130 THR CB . 25441 1 576 . 1 1 147 147 THR H H 1 7.79 0.02 . 1 1 . . . 131 THR H . 25441 1 577 . 1 1 147 147 THR C C 13 172.0 0.2 . 1 1 . . . 131 THR C . 25441 1 578 . 1 1 147 147 THR CA C 13 59.5 0.2 . 1 1 . . . 131 THR CA . 25441 1 579 . 1 1 147 147 THR CB C 13 68.0 0.2 . 1 1 . . . 131 THR CB . 25441 1 580 . 1 1 147 147 THR N N 15 113.9 0.2 . 1 1 . . . 131 THR N . 25441 1 581 . 1 1 148 148 SER H H 1 10.06 0.02 . 1 1 . . . 132 SER H . 25441 1 582 . 1 1 148 148 SER C C 13 174.2 0.2 . 1 1 . . . 132 SER C . 25441 1 583 . 1 1 148 148 SER CA C 13 58.0 0.2 . 1 1 . . . 132 SER CA . 25441 1 584 . 1 1 148 148 SER CB C 13 64.2 0.2 . 1 1 . . . 132 SER CB . 25441 1 585 . 1 1 148 148 SER N N 15 124.7 0.2 . 1 1 . . . 132 SER N . 25441 1 586 . 1 1 149 149 ASN H H 1 9.34 0.02 . 1 1 . . . 133 ASN H . 25441 1 587 . 1 1 149 149 ASN C C 13 175.2 0.2 . 1 1 . . . 133 ASN C . 25441 1 588 . 1 1 149 149 ASN CA C 13 51.5 0.2 . 1 1 . . . 133 ASN CA . 25441 1 589 . 1 1 149 149 ASN CB C 13 39.1 0.2 . 1 1 . . . 133 ASN CB . 25441 1 590 . 1 1 149 149 ASN N N 15 125.1 0.2 . 1 1 . . . 133 ASN N . 25441 1 591 . 1 1 151 151 ASN C C 13 177.3 0.2 . 1 1 . . . 135 ASN C . 25441 1 592 . 1 1 151 151 ASN CA C 13 56.3 0.2 . 1 1 . . . 135 ASN CA . 25441 1 593 . 1 1 151 151 ASN CB C 13 37.2 0.2 . 1 1 . . . 135 ASN CB . 25441 1 594 . 1 1 152 152 GLU H H 1 6.61 0.02 . 1 1 . . . 136 GLU H . 25441 1 595 . 1 1 152 152 GLU C C 13 176.0 0.2 . 1 1 . . . 136 GLU C . 25441 1 596 . 1 1 152 152 GLU CA C 13 55.4 0.2 . 1 1 . . . 136 GLU CA . 25441 1 597 . 1 1 152 152 GLU CB C 13 29.6 0.2 . 1 1 . . . 136 GLU CB . 25441 1 598 . 1 1 152 152 GLU N N 15 112.5 0.2 . 1 1 . . . 136 GLU N . 25441 1 599 . 1 1 153 153 ILE H H 1 7.47 0.02 . 1 1 . . . 137 ILE H . 25441 1 600 . 1 1 153 153 ILE C C 13 174.8 0.2 . 1 1 . . . 137 ILE C . 25441 1 601 . 1 1 153 153 ILE CA C 13 63.5 0.2 . 1 1 . . . 137 ILE CA . 25441 1 602 . 1 1 153 153 ILE CB C 13 37.4 0.2 . 1 1 . . . 137 ILE CB . 25441 1 603 . 1 1 153 153 ILE N N 15 117.5 0.2 . 1 1 . . . 137 ILE N . 25441 1 604 . 1 1 154 154 SER H H 1 8.43 0.02 . 1 1 . . . 138 SER H . 25441 1 605 . 1 1 154 154 SER C C 13 172.9 0.2 . 1 1 . . . 138 SER C . 25441 1 606 . 1 1 154 154 SER CA C 13 57.1 0.2 . 1 1 . . . 138 SER CA . 25441 1 607 . 1 1 154 154 SER CB C 13 64.6 0.2 . 1 1 . . . 138 SER CB . 25441 1 608 . 1 1 154 154 SER N N 15 127.4 0.2 . 1 1 . . . 138 SER N . 25441 1 609 . 1 1 155 155 VAL H H 1 9.18 0.02 . 1 1 . . . 139 VAL H . 25441 1 610 . 1 1 155 155 VAL C C 13 173.8 0.2 . 1 1 . . . 139 VAL C . 25441 1 611 . 1 1 155 155 VAL CA C 13 60.0 0.2 . 1 1 . . . 139 VAL CA . 25441 1 612 . 1 1 155 155 VAL CB C 13 35.9 0.2 . 1 1 . . . 139 VAL CB . 25441 1 613 . 1 1 155 155 VAL N N 15 120.6 0.2 . 1 1 . . . 139 VAL N . 25441 1 614 . 1 1 156 156 THR H H 1 9.48 0.02 . 1 1 . . . 140 THR H . 25441 1 615 . 1 1 156 156 THR C C 13 174.6 0.2 . 1 1 . . . 140 THR C . 25441 1 616 . 1 1 156 156 THR CA C 13 61.8 0.2 . 1 1 . . . 140 THR CA . 25441 1 617 . 1 1 156 156 THR CB C 13 70.8 0.2 . 1 1 . . . 140 THR CB . 25441 1 618 . 1 1 156 156 THR N N 15 122.5 0.2 . 1 1 . . . 140 THR N . 25441 1 619 . 1 1 157 157 THR H H 1 8.36 0.02 . 1 1 . . . 141 THR H . 25441 1 620 . 1 1 157 157 THR C C 13 173.1 0.2 . 1 1 . . . 141 THR C . 25441 1 621 . 1 1 157 157 THR CA C 13 58.7 0.2 . 1 1 . . . 141 THR CA . 25441 1 622 . 1 1 157 157 THR CB C 13 70.3 0.2 . 1 1 . . . 141 THR CB . 25441 1 623 . 1 1 157 157 THR N N 15 115.7 0.2 . 1 1 . . . 141 THR N . 25441 1 624 . 1 1 158 158 TYR H H 1 8.16 0.02 . 1 1 . . . 142 TYR H . 25441 1 625 . 1 1 158 158 TYR C C 13 174.4 0.2 . 1 1 . . . 142 TYR C . 25441 1 626 . 1 1 158 158 TYR CA C 13 58.0 0.2 . 1 1 . . . 142 TYR CA . 25441 1 627 . 1 1 158 158 TYR CB C 13 37.6 0.2 . 1 1 . . . 142 TYR CB . 25441 1 628 . 1 1 158 158 TYR N N 15 118.8 0.2 . 1 1 . . . 142 TYR N . 25441 1 629 . 1 1 159 159 ALA H H 1 7.93 0.02 . 1 1 . . . 143 ALA H . 25441 1 630 . 1 1 159 159 ALA C C 13 174.7 0.2 . 1 1 . . . 143 ALA C . 25441 1 631 . 1 1 159 159 ALA CA C 13 50.6 0.2 . 1 1 . . . 143 ALA CA . 25441 1 632 . 1 1 159 159 ALA CB C 13 22.9 0.2 . 1 1 . . . 143 ALA CB . 25441 1 633 . 1 1 159 159 ALA N N 15 122.6 0.2 . 1 1 . . . 143 ALA N . 25441 1 634 . 1 1 160 160 GLU H H 1 8.43 0.02 . 1 1 . . . 144 GLU H . 25441 1 635 . 1 1 160 160 GLU C C 13 174.3 0.2 . 1 1 . . . 144 GLU C . 25441 1 636 . 1 1 160 160 GLU CA C 13 56.0 0.2 . 1 1 . . . 144 GLU CA . 25441 1 637 . 1 1 160 160 GLU CB C 13 30.2 0.2 . 1 1 . . . 144 GLU CB . 25441 1 638 . 1 1 160 160 GLU N N 15 118.9 0.2 . 1 1 . . . 144 GLU N . 25441 1 639 . 1 1 161 161 PHE H H 1 8.26 0.02 . 1 1 . . . 145 PHE H . 25441 1 640 . 1 1 161 161 PHE C C 13 172.2 0.2 . 1 1 . . . 145 PHE C . 25441 1 641 . 1 1 161 161 PHE CA C 13 54.9 0.2 . 1 1 . . . 145 PHE CA . 25441 1 642 . 1 1 161 161 PHE CB C 13 44.4 0.2 . 1 1 . . . 145 PHE CB . 25441 1 643 . 1 1 161 161 PHE N N 15 113.3 0.2 . 1 1 . . . 145 PHE N . 25441 1 644 . 1 1 162 162 TYR H H 1 9.77 0.02 . 1 1 . . . 146 TYR H . 25441 1 645 . 1 1 162 162 TYR C C 13 174.9 0.2 . 1 1 . . . 146 TYR C . 25441 1 646 . 1 1 162 162 TYR CA C 13 55.8 0.2 . 1 1 . . . 146 TYR CA . 25441 1 647 . 1 1 162 162 TYR CB C 13 43.1 0.2 . 1 1 . . . 146 TYR CB . 25441 1 648 . 1 1 162 162 TYR N N 15 118.4 0.2 . 1 1 . . . 146 TYR N . 25441 1 649 . 1 1 163 163 ILE H H 1 9.34 0.02 . 1 1 . . . 147 ILE H . 25441 1 650 . 1 1 163 163 ILE C C 13 176.6 0.2 . 1 1 . . . 147 ILE C . 25441 1 651 . 1 1 163 163 ILE CA C 13 60.9 0.2 . 1 1 . . . 147 ILE CA . 25441 1 652 . 1 1 163 163 ILE CB C 13 40.8 0.2 . 1 1 . . . 147 ILE CB . 25441 1 653 . 1 1 163 163 ILE N N 15 119.8 0.2 . 1 1 . . . 147 ILE N . 25441 1 654 . 1 1 164 164 ILE H H 1 9.53 0.02 . 1 1 . . . 148 ILE H . 25441 1 655 . 1 1 164 164 ILE CA C 13 58.2 0.2 . 1 1 . . . 148 ILE CA . 25441 1 656 . 1 1 164 164 ILE CB C 13 43.9 0.2 . 1 1 . . . 148 ILE CB . 25441 1 657 . 1 1 164 164 ILE N N 15 128.1 0.2 . 1 1 . . . 148 ILE N . 25441 1 658 . 1 1 165 165 PRO C C 13 177.7 0.2 . 1 1 . . . 149 PRO C . 25441 1 659 . 1 1 165 165 PRO CA C 13 63.6 0.2 . 1 1 . . . 149 PRO CA . 25441 1 660 . 1 1 165 165 PRO CB C 13 32.2 0.2 . 1 1 . . . 149 PRO CB . 25441 1 661 . 1 1 166 166 ARG H H 1 8.09 0.02 . 1 1 . . . 150 ARG H . 25441 1 662 . 1 1 166 166 ARG C C 13 177.7 0.2 . 1 1 . . . 150 ARG C . 25441 1 663 . 1 1 166 166 ARG CA C 13 59.8 0.2 . 1 1 . . . 150 ARG CA . 25441 1 664 . 1 1 166 166 ARG CB C 13 29.1 0.2 . 1 1 . . . 150 ARG CB . 25441 1 665 . 1 1 166 166 ARG N N 15 121.7 0.2 . 1 1 . . . 150 ARG N . 25441 1 666 . 1 1 167 167 SER C C 13 175.7 0.2 . 1 1 . . . 151 SER C . 25441 1 667 . 1 1 167 167 SER CA C 13 60.4 0.2 . 1 1 . . . 151 SER CA . 25441 1 668 . 1 1 167 167 SER CB C 13 61.5 0.2 . 1 1 . . . 151 SER CB . 25441 1 669 . 1 1 168 168 GLN H H 1 8.02 0.02 . 1 1 . . . 152 GLN H . 25441 1 670 . 1 1 168 168 GLN C C 13 176.2 0.2 . 1 1 . . . 152 GLN C . 25441 1 671 . 1 1 168 168 GLN CA C 13 54.1 0.2 . 1 1 . . . 152 GLN CA . 25441 1 672 . 1 1 168 168 GLN CB C 13 27.4 0.2 . 1 1 . . . 152 GLN CB . 25441 1 673 . 1 1 168 168 GLN N N 15 120.8 0.2 . 1 1 . . . 152 GLN N . 25441 1 674 . 1 1 169 169 GLU H H 1 7.85 0.02 . 1 1 . . . 153 GLU H . 25441 1 675 . 1 1 169 169 GLU C C 13 176.1 0.2 . 1 1 . . . 153 GLU C . 25441 1 676 . 1 1 169 169 GLU CA C 13 60.7 0.2 . 1 1 . . . 153 GLU CA . 25441 1 677 . 1 1 169 169 GLU CB C 13 30.8 0.2 . 1 1 . . . 153 GLU CB . 25441 1 678 . 1 1 169 169 GLU N N 15 122.6 0.2 . 1 1 . . . 153 GLU N . 25441 1 679 . 1 1 170 170 SER C C 13 177.6 0.2 . 1 1 . . . 154 SER C . 25441 1 680 . 1 1 170 170 SER CA C 13 62.0 0.2 . 1 1 . . . 154 SER CA . 25441 1 681 . 1 1 171 171 LYS H H 1 7.23 0.02 . 1 1 . . . 155 LYS H . 25441 1 682 . 1 1 171 171 LYS C C 13 176.0 0.2 . 1 1 . . . 155 LYS C . 25441 1 683 . 1 1 171 171 LYS CA C 13 57.0 0.2 . 1 1 . . . 155 LYS CA . 25441 1 684 . 1 1 171 171 LYS CB C 13 30.6 0.2 . 1 1 . . . 155 LYS CB . 25441 1 685 . 1 1 171 171 LYS N N 15 122.1 0.2 . 1 1 . . . 155 LYS N . 25441 1 686 . 1 1 172 172 CYS H H 1 7.24 0.02 . 1 1 . . . 156 CYS H . 25441 1 687 . 1 1 172 172 CYS C C 13 175.4 0.2 . 1 1 . . . 156 CYS C . 25441 1 688 . 1 1 172 172 CYS CA C 13 63.4 0.2 . 1 1 . . . 156 CYS CA . 25441 1 689 . 1 1 172 172 CYS CB C 13 25.4 0.2 . 1 1 . . . 156 CYS CB . 25441 1 690 . 1 1 172 172 CYS N N 15 118.7 0.2 . 1 1 . . . 156 CYS N . 25441 1 691 . 1 1 173 173 THR H H 1 8.84 0.02 . 1 1 . . . 157 THR H . 25441 1 692 . 1 1 173 173 THR C C 13 175.7 0.2 . 1 1 . . . 157 THR C . 25441 1 693 . 1 1 173 173 THR CA C 13 65.7 0.2 . 1 1 . . . 157 THR CA . 25441 1 694 . 1 1 173 173 THR CB C 13 68.5 0.2 . 1 1 . . . 157 THR CB . 25441 1 695 . 1 1 173 173 THR N N 15 115.7 0.2 . 1 1 . . . 157 THR N . 25441 1 696 . 1 1 174 174 GLU H H 1 7.33 0.02 . 1 1 . . . 158 GLU H . 25441 1 697 . 1 1 174 174 GLU C C 13 179.5 0.2 . 1 1 . . . 158 GLU C . 25441 1 698 . 1 1 174 174 GLU CA C 13 59.6 0.2 . 1 1 . . . 158 GLU CA . 25441 1 699 . 1 1 174 174 GLU CB C 13 29.0 0.2 . 1 1 . . . 158 GLU CB . 25441 1 700 . 1 1 174 174 GLU N N 15 123.5 0.2 . 1 1 . . . 158 GLU N . 25441 1 701 . 1 1 175 175 TYR H H 1 8.37 0.02 . 1 1 . . . 159 TYR H . 25441 1 702 . 1 1 175 175 TYR C C 13 179.0 0.2 . 1 1 . . . 159 TYR C . 25441 1 703 . 1 1 175 175 TYR CA C 13 56.8 0.2 . 1 1 . . . 159 TYR CA . 25441 1 704 . 1 1 175 175 TYR CB C 13 35.9 0.2 . 1 1 . . . 159 TYR CB . 25441 1 705 . 1 1 175 175 TYR N N 15 123.3 0.2 . 1 1 . . . 159 TYR N . 25441 1 706 . 1 1 176 176 ILE H H 1 8.71 0.02 . 1 1 . . . 160 ILE H . 25441 1 707 . 1 1 176 176 ILE C C 13 178.7 0.2 . 1 1 . . . 160 ILE C . 25441 1 708 . 1 1 176 176 ILE CA C 13 62.5 0.2 . 1 1 . . . 160 ILE CA . 25441 1 709 . 1 1 176 176 ILE CB C 13 35.3 0.2 . 1 1 . . . 160 ILE CB . 25441 1 710 . 1 1 176 176 ILE N N 15 120.4 0.2 . 1 1 . . . 160 ILE N . 25441 1 711 . 1 1 177 177 ASN H H 1 7.43 0.02 . 1 1 . . . 161 ASN H . 25441 1 712 . 1 1 177 177 ASN C C 13 176.6 0.2 . 1 1 . . . 161 ASN C . 25441 1 713 . 1 1 177 177 ASN CA C 13 56.3 0.2 . 1 1 . . . 161 ASN CA . 25441 1 714 . 1 1 177 177 ASN CB C 13 41.1 0.2 . 1 1 . . . 161 ASN CB . 25441 1 715 . 1 1 177 177 ASN N N 15 114.1 0.2 . 1 1 . . . 161 ASN N . 25441 1 716 . 1 1 178 178 THR H H 1 8.78 0.02 . 1 1 . . . 162 THR H . 25441 1 717 . 1 1 178 178 THR C C 13 174.7 0.2 . 1 1 . . . 162 THR C . 25441 1 718 . 1 1 178 178 THR CA C 13 62.4 0.2 . 1 1 . . . 162 THR CA . 25441 1 719 . 1 1 178 178 THR CB C 13 71.8 0.2 . 1 1 . . . 162 THR CB . 25441 1 720 . 1 1 178 178 THR N N 15 108.6 0.2 . 1 1 . . . 162 THR N . 25441 1 721 . 1 1 179 179 GLY H H 1 9.14 0.02 . 1 1 . . . 163 GLY H . 25441 1 722 . 1 1 179 179 GLY C C 13 173.1 0.2 . 1 1 . . . 163 GLY C . 25441 1 723 . 1 1 179 179 GLY CA C 13 43.8 0.2 . 1 1 . . . 163 GLY CA . 25441 1 724 . 1 1 179 179 GLY N N 15 115.2 0.2 . 1 1 . . . 163 GLY N . 25441 1 725 . 1 1 180 180 LEU H H 1 8.30 0.02 . 1 1 . . . 164 LEU H . 25441 1 726 . 1 1 180 180 LEU C C 13 174.6 0.2 . 1 1 . . . 164 LEU C . 25441 1 727 . 1 1 180 180 LEU CA C 13 53.2 0.2 . 1 1 . . . 164 LEU CA . 25441 1 728 . 1 1 180 180 LEU CB C 13 40.5 0.2 . 1 1 . . . 164 LEU CB . 25441 1 729 . 1 1 180 180 LEU N N 15 119.5 0.2 . 1 1 . . . 164 LEU N . 25441 1 730 . 1 1 182 182 PRO C C 13 176.6 0.2 . 1 1 . . . 166 PRO C . 25441 1 731 . 1 1 182 182 PRO CA C 13 62.9 0.2 . 1 1 . . . 166 PRO CA . 25441 1 732 . 1 1 182 182 PRO CB C 13 31.9 0.2 . 1 1 . . . 166 PRO CB . 25441 1 733 . 1 1 183 183 MET H H 1 8.14 0.02 . 1 1 . . . 167 MET H . 25441 1 734 . 1 1 183 183 MET C C 13 175.8 0.2 . 1 1 . . . 167 MET C . 25441 1 735 . 1 1 183 183 MET CA C 13 62.0 0.2 . 1 1 . . . 167 MET CA . 25441 1 736 . 1 1 183 183 MET CB C 13 32.8 0.2 . 1 1 . . . 167 MET CB . 25441 1 737 . 1 1 183 183 MET N N 15 119.8 0.2 . 1 1 . . . 167 MET N . 25441 1 738 . 1 1 184 184 GLN H H 1 8.47 0.02 . 1 1 . . . 168 GLN H . 25441 1 739 . 1 1 184 184 GLN C C 13 174.3 0.2 . 1 1 . . . 168 GLN C . 25441 1 740 . 1 1 184 184 GLN CA C 13 54.3 0.2 . 1 1 . . . 168 GLN CA . 25441 1 741 . 1 1 184 184 GLN CB C 13 29.9 0.2 . 1 1 . . . 168 GLN CB . 25441 1 742 . 1 1 184 184 GLN N N 15 126.4 0.2 . 1 1 . . . 168 GLN N . 25441 1 743 . 1 1 187 187 ARG C C 13 175.1 0.2 . 1 1 . . . 171 ARG C . 25441 1 744 . 1 1 187 187 ARG CA C 13 56.0 0.2 . 1 1 . . . 171 ARG CA . 25441 1 745 . 1 1 187 187 ARG CB C 13 30.8 0.2 . 1 1 . . . 171 ARG CB . 25441 1 746 . 1 1 188 188 ASN H H 1 8.07 0.02 . 1 1 . . . 172 ASN H . 25441 1 747 . 1 1 188 188 ASN C C 13 179.5 0.2 . 1 1 . . . 172 ASN C . 25441 1 748 . 1 1 188 188 ASN CA C 13 54.8 0.2 . 1 1 . . . 172 ASN CA . 25441 1 749 . 1 1 188 188 ASN CB C 13 40.4 0.2 . 1 1 . . . 172 ASN CB . 25441 1 750 . 1 1 188 188 ASN N N 15 125.6 0.2 . 1 1 . . . 172 ASN N . 25441 1 stop_ save_