data_52152 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52152 _Entry.Title ; Endo-b-1,4-xylanase (Xylanase A) WT peak assignments from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-28 _Entry.Accession_date 2023-09-28 _Entry.Last_release_date 2023-09-28 _Entry.Original_release_date 2023-09-28 _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 ; Backbone peak assignments for 0.26 mM WT version of endo-b-1,4-xylanase (Xylanase A) from Bacillus subtilis in 25 mM acetate buffer, pH 5.7, 50 mM NaCl, 10% D2O, and 0.03% sodium azide . TROSY-HNCA, TROSY-HNCO, TROSY-HNCACB 33% NUS, TROSY-CBCA(CO)NH 33% NUS, TROSY-HN(CA)CO 33% NUS, TROSY-HN(CO)CA, and 1H/15N-TROSY were collected at 25degC. ; _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 Meagan MacDonald . E. . 0009-0000-9737-1008 52152 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52152 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 52152 '15N chemical shifts' 178 52152 '1H chemical shifts' 178 52152 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 . . 2024-04-04 2023-09-28 update BMRB 'update entry citation' 52152 1 . . 2023-10-18 2023-09-28 original author 'original release' 52152 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52153 'H, N, Ca, and Cb peak assignments for D11F/R122D double mutant Xylanase A' 52152 BMRB 52154 'order parameters and relaxation data for wild type Xylanase A' 52152 BMRB 52155 'order parameters and relaxation data for D11F/R122D double mutant Xylanase A' 52152 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52152 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38438058 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Effects of Xylanase A double mutation on substrate specificity and structural dynamics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 216 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-8657 _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 108082 _Citation.Page_last 108082 _Citation.Year 2024 _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 Meagan MacDonald M. E. . . 52152 1 2 Nicholas Wells . . . . 52152 1 3 Bakar Hassan B. A. . . 52152 1 4 Joshua Dudley J. A. . . 52152 1 5 Kylie Walters K. J. . . 52152 1 6 Dmitry Korzhnev D. M. . . 52152 1 7 James Aramini J. M. . . 52152 1 8 Colin Smith C. A. . . 52152 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR peak assignments' 52152 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52152 _Assembly.ID 1 _Assembly.Name 'Xylanase A' _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 . _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 'Xylanase A' 1 $entity_1 . . yes native no no . . . 52152 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Performs hydrolysis at internal b-1,4-xylosidic linkages' 52152 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52152 _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 ; GSHMASTDYWQNWTDGGGIV NAVNGSGGNYSVNWSNTGNF VVGKGWTTGSPFRTINYNAG VWAPNGNGYLTLYGWTRSPL IEYYVVDSWGTYRPTGTYKG TVKSDGGTYDIYTTTRYNAP SIDGDRTTFTQYWSVRQSKR PTGSNATITFSNHVNAWKSH GMNLGSNWAYQVMATEGYQS SGSSNVTVW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'His-tag scar GSHM included in the sequence' _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 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Hydrolyzes internal b-1,4-xylosidic linkages in xylans.' 52152 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -3 GLY . 52152 1 2 -2 SER . 52152 1 3 -1 HIS . 52152 1 4 0 MET . 52152 1 5 1 ALA . 52152 1 6 2 SER . 52152 1 7 3 THR . 52152 1 8 4 ASP . 52152 1 9 5 TYR . 52152 1 10 6 TRP . 52152 1 11 7 GLN . 52152 1 12 8 ASN . 52152 1 13 9 TRP . 52152 1 14 10 THR . 52152 1 15 11 ASP . 52152 1 16 12 GLY . 52152 1 17 13 GLY . 52152 1 18 14 GLY . 52152 1 19 15 ILE . 52152 1 20 16 VAL . 52152 1 21 17 ASN . 52152 1 22 18 ALA . 52152 1 23 19 VAL . 52152 1 24 20 ASN . 52152 1 25 21 GLY . 52152 1 26 22 SER . 52152 1 27 23 GLY . 52152 1 28 24 GLY . 52152 1 29 25 ASN . 52152 1 30 26 TYR . 52152 1 31 27 SER . 52152 1 32 28 VAL . 52152 1 33 29 ASN . 52152 1 34 30 TRP . 52152 1 35 31 SER . 52152 1 36 32 ASN . 52152 1 37 33 THR . 52152 1 38 34 GLY . 52152 1 39 35 ASN . 52152 1 40 36 PHE . 52152 1 41 37 VAL . 52152 1 42 38 VAL . 52152 1 43 39 GLY . 52152 1 44 40 LYS . 52152 1 45 41 GLY . 52152 1 46 42 TRP . 52152 1 47 43 THR . 52152 1 48 44 THR . 52152 1 49 45 GLY . 52152 1 50 46 SER . 52152 1 51 47 PRO . 52152 1 52 48 PHE . 52152 1 53 49 ARG . 52152 1 54 50 THR . 52152 1 55 51 ILE . 52152 1 56 52 ASN . 52152 1 57 53 TYR . 52152 1 58 54 ASN . 52152 1 59 55 ALA . 52152 1 60 56 GLY . 52152 1 61 57 VAL . 52152 1 62 58 TRP . 52152 1 63 59 ALA . 52152 1 64 60 PRO . 52152 1 65 61 ASN . 52152 1 66 62 GLY . 52152 1 67 63 ASN . 52152 1 68 64 GLY . 52152 1 69 65 TYR . 52152 1 70 66 LEU . 52152 1 71 67 THR . 52152 1 72 68 LEU . 52152 1 73 69 TYR . 52152 1 74 70 GLY . 52152 1 75 71 TRP . 52152 1 76 72 THR . 52152 1 77 73 ARG . 52152 1 78 74 SER . 52152 1 79 75 PRO . 52152 1 80 76 LEU . 52152 1 81 77 ILE . 52152 1 82 78 GLU . 52152 1 83 79 TYR . 52152 1 84 80 TYR . 52152 1 85 81 VAL . 52152 1 86 82 VAL . 52152 1 87 83 ASP . 52152 1 88 84 SER . 52152 1 89 85 TRP . 52152 1 90 86 GLY . 52152 1 91 87 THR . 52152 1 92 88 TYR . 52152 1 93 89 ARG . 52152 1 94 90 PRO . 52152 1 95 91 THR . 52152 1 96 92 GLY . 52152 1 97 93 THR . 52152 1 98 94 TYR . 52152 1 99 95 LYS . 52152 1 100 96 GLY . 52152 1 101 97 THR . 52152 1 102 98 VAL . 52152 1 103 99 LYS . 52152 1 104 100 SER . 52152 1 105 101 ASP . 52152 1 106 102 GLY . 52152 1 107 103 GLY . 52152 1 108 104 THR . 52152 1 109 105 TYR . 52152 1 110 106 ASP . 52152 1 111 107 ILE . 52152 1 112 108 TYR . 52152 1 113 109 THR . 52152 1 114 110 THR . 52152 1 115 111 THR . 52152 1 116 112 ARG . 52152 1 117 113 TYR . 52152 1 118 114 ASN . 52152 1 119 115 ALA . 52152 1 120 116 PRO . 52152 1 121 117 SER . 52152 1 122 118 ILE . 52152 1 123 119 ASP . 52152 1 124 120 GLY . 52152 1 125 121 ASP . 52152 1 126 122 ARG . 52152 1 127 123 THR . 52152 1 128 124 THR . 52152 1 129 125 PHE . 52152 1 130 126 THR . 52152 1 131 127 GLN . 52152 1 132 128 TYR . 52152 1 133 129 TRP . 52152 1 134 130 SER . 52152 1 135 131 VAL . 52152 1 136 132 ARG . 52152 1 137 133 GLN . 52152 1 138 134 SER . 52152 1 139 135 LYS . 52152 1 140 136 ARG . 52152 1 141 137 PRO . 52152 1 142 138 THR . 52152 1 143 139 GLY . 52152 1 144 140 SER . 52152 1 145 141 ASN . 52152 1 146 142 ALA . 52152 1 147 143 THR . 52152 1 148 144 ILE . 52152 1 149 145 THR . 52152 1 150 146 PHE . 52152 1 151 147 SER . 52152 1 152 148 ASN . 52152 1 153 149 HIS . 52152 1 154 150 VAL . 52152 1 155 151 ASN . 52152 1 156 152 ALA . 52152 1 157 153 TRP . 52152 1 158 154 LYS . 52152 1 159 155 SER . 52152 1 160 156 HIS . 52152 1 161 157 GLY . 52152 1 162 158 MET . 52152 1 163 159 ASN . 52152 1 164 160 LEU . 52152 1 165 161 GLY . 52152 1 166 162 SER . 52152 1 167 163 ASN . 52152 1 168 164 TRP . 52152 1 169 165 ALA . 52152 1 170 166 TYR . 52152 1 171 167 GLN . 52152 1 172 168 VAL . 52152 1 173 169 MET . 52152 1 174 170 ALA . 52152 1 175 171 THR . 52152 1 176 172 GLU . 52152 1 177 173 GLY . 52152 1 178 174 TYR . 52152 1 179 175 GLN . 52152 1 180 176 SER . 52152 1 181 177 SER . 52152 1 182 178 GLY . 52152 1 183 179 SER . 52152 1 184 180 SER . 52152 1 185 181 ASN . 52152 1 186 182 VAL . 52152 1 187 183 THR . 52152 1 188 184 VAL . 52152 1 189 185 TRP . 52152 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 52152 1 . SER 2 2 52152 1 . HIS 3 3 52152 1 . MET 4 4 52152 1 . ALA 5 5 52152 1 . SER 6 6 52152 1 . THR 7 7 52152 1 . ASP 8 8 52152 1 . TYR 9 9 52152 1 . TRP 10 10 52152 1 . GLN 11 11 52152 1 . ASN 12 12 52152 1 . TRP 13 13 52152 1 . THR 14 14 52152 1 . ASP 15 15 52152 1 . GLY 16 16 52152 1 . GLY 17 17 52152 1 . GLY 18 18 52152 1 . ILE 19 19 52152 1 . VAL 20 20 52152 1 . ASN 21 21 52152 1 . ALA 22 22 52152 1 . VAL 23 23 52152 1 . ASN 24 24 52152 1 . GLY 25 25 52152 1 . SER 26 26 52152 1 . GLY 27 27 52152 1 . GLY 28 28 52152 1 . ASN 29 29 52152 1 . TYR 30 30 52152 1 . SER 31 31 52152 1 . VAL 32 32 52152 1 . ASN 33 33 52152 1 . TRP 34 34 52152 1 . SER 35 35 52152 1 . ASN 36 36 52152 1 . THR 37 37 52152 1 . GLY 38 38 52152 1 . ASN 39 39 52152 1 . PHE 40 40 52152 1 . VAL 41 41 52152 1 . VAL 42 42 52152 1 . GLY 43 43 52152 1 . LYS 44 44 52152 1 . GLY 45 45 52152 1 . TRP 46 46 52152 1 . THR 47 47 52152 1 . THR 48 48 52152 1 . GLY 49 49 52152 1 . SER 50 50 52152 1 . PRO 51 51 52152 1 . PHE 52 52 52152 1 . ARG 53 53 52152 1 . THR 54 54 52152 1 . ILE 55 55 52152 1 . ASN 56 56 52152 1 . TYR 57 57 52152 1 . ASN 58 58 52152 1 . ALA 59 59 52152 1 . GLY 60 60 52152 1 . VAL 61 61 52152 1 . TRP 62 62 52152 1 . ALA 63 63 52152 1 . PRO 64 64 52152 1 . ASN 65 65 52152 1 . GLY 66 66 52152 1 . ASN 67 67 52152 1 . GLY 68 68 52152 1 . TYR 69 69 52152 1 . LEU 70 70 52152 1 . THR 71 71 52152 1 . LEU 72 72 52152 1 . TYR 73 73 52152 1 . GLY 74 74 52152 1 . TRP 75 75 52152 1 . THR 76 76 52152 1 . ARG 77 77 52152 1 . SER 78 78 52152 1 . PRO 79 79 52152 1 . LEU 80 80 52152 1 . ILE 81 81 52152 1 . GLU 82 82 52152 1 . TYR 83 83 52152 1 . TYR 84 84 52152 1 . VAL 85 85 52152 1 . VAL 86 86 52152 1 . ASP 87 87 52152 1 . SER 88 88 52152 1 . TRP 89 89 52152 1 . GLY 90 90 52152 1 . THR 91 91 52152 1 . TYR 92 92 52152 1 . ARG 93 93 52152 1 . PRO 94 94 52152 1 . THR 95 95 52152 1 . GLY 96 96 52152 1 . THR 97 97 52152 1 . TYR 98 98 52152 1 . LYS 99 99 52152 1 . GLY 100 100 52152 1 . THR 101 101 52152 1 . VAL 102 102 52152 1 . LYS 103 103 52152 1 . SER 104 104 52152 1 . ASP 105 105 52152 1 . GLY 106 106 52152 1 . GLY 107 107 52152 1 . THR 108 108 52152 1 . TYR 109 109 52152 1 . ASP 110 110 52152 1 . ILE 111 111 52152 1 . TYR 112 112 52152 1 . THR 113 113 52152 1 . THR 114 114 52152 1 . THR 115 115 52152 1 . ARG 116 116 52152 1 . TYR 117 117 52152 1 . ASN 118 118 52152 1 . ALA 119 119 52152 1 . PRO 120 120 52152 1 . SER 121 121 52152 1 . ILE 122 122 52152 1 . ASP 123 123 52152 1 . GLY 124 124 52152 1 . ASP 125 125 52152 1 . ARG 126 126 52152 1 . THR 127 127 52152 1 . THR 128 128 52152 1 . PHE 129 129 52152 1 . THR 130 130 52152 1 . GLN 131 131 52152 1 . TYR 132 132 52152 1 . TRP 133 133 52152 1 . SER 134 134 52152 1 . VAL 135 135 52152 1 . ARG 136 136 52152 1 . GLN 137 137 52152 1 . SER 138 138 52152 1 . LYS 139 139 52152 1 . ARG 140 140 52152 1 . PRO 141 141 52152 1 . THR 142 142 52152 1 . GLY 143 143 52152 1 . SER 144 144 52152 1 . ASN 145 145 52152 1 . ALA 146 146 52152 1 . THR 147 147 52152 1 . ILE 148 148 52152 1 . THR 149 149 52152 1 . PHE 150 150 52152 1 . SER 151 151 52152 1 . ASN 152 152 52152 1 . HIS 153 153 52152 1 . VAL 154 154 52152 1 . ASN 155 155 52152 1 . ALA 156 156 52152 1 . TRP 157 157 52152 1 . LYS 158 158 52152 1 . SER 159 159 52152 1 . HIS 160 160 52152 1 . GLY 161 161 52152 1 . MET 162 162 52152 1 . ASN 163 163 52152 1 . LEU 164 164 52152 1 . GLY 165 165 52152 1 . SER 166 166 52152 1 . ASN 167 167 52152 1 . TRP 168 168 52152 1 . ALA 169 169 52152 1 . TYR 170 170 52152 1 . GLN 171 171 52152 1 . VAL 172 172 52152 1 . MET 173 173 52152 1 . ALA 174 174 52152 1 . THR 175 175 52152 1 . GLU 176 176 52152 1 . GLY 177 177 52152 1 . TYR 178 178 52152 1 . GLN 179 179 52152 1 . SER 180 180 52152 1 . SER 181 181 52152 1 . GLY 182 182 52152 1 . SER 183 183 52152 1 . SER 184 184 52152 1 . ASN 185 185 52152 1 . VAL 186 186 52152 1 . THR 187 187 52152 1 . VAL 188 188 52152 1 . TRP 189 189 52152 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 52152 _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 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . 52152 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 52152 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET15b . . . 52152 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52152 _Sample.ID 1 _Sample.Name 'Xylanase A WT' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.26 mM WT in 25 mM acetate buffer, pH 5.7, 50 mM NaCl, 10% D2O, and 0.03% sodium azide' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '25 mM acetate buffer, pH 5.7, 50 mM NaCl, 10% D2O, and 0.03% sodium azide' _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 'Xylanase A' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.26 . . mM . . . . 52152 1 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 52152 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52152 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52152 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 52152 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 52152 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pH 5.7 at 298.34 K' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 52152 1 pH 5.7 . pH 52152 1 pressure 1 . atm 52152 1 temperature 298.34 . K 52152 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52152 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52152 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52152 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52152 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52152 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 3.0.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52152 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 52152 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 700 MHz spectrometer with a QCI-F cryoprobe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 52152 _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 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . TROSY 52152 1 2 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . TROSY 52152 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'TROSY, 33% NUS' 52152 1 4 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'TROSY, 33% NUS' 52152 1 5 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'TROSY, 33% NUS' 52152 1 6 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'TROSY, 33% NUS' 52152 1 7 '2D 1H-15N HSQC' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52152 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52152 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site 'University of Connecticut Health Center, Farmington, CT' _Computing_platform.Site_reference_ID . _Computing_platform.Details ; This study made use of NMRbox: National Center for Biomolecular NMR Data Processing and Analysis, a Biomedical Technology Research Resource (BTRR), which is supported by NIH grant P41GM111135 (NIGMS). NMRbox: A Resource for Biomolecular NMR Computation. Maciejewski, M.W., Schuyler, A.D., Gryk, M.R., Moraru, I.I., Romero, P.R., Ulrich, E.L., Eghbalnia, H.R., Livny, M., Delaglio, F., and Hoch, J.C., Biophys J., 112: 1529-1534, 2017. PMID: 28445744 | DOI: 10.1016/j.bpj.2017.03.011 ; 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 52152 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.770 internal indirect . . . . . . 52152 1 H 1 water protons . . . . ppm 4.770 internal direct 1 . . . . . 52152 1 N 15 water protons . . . . ppm 4.770 internal indirect . . . . . . 52152 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 52152 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Xylanase A' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 '3D HNCA' . . . 52152 1 2 '3D HNCO' . . . 52152 1 3 '3D HNCACB' . . . 52152 1 4 '3D CBCA(CO)NH' . . . 52152 1 5 '3D HN(CA)CO' . . . 52152 1 6 '3D HN(CO)CA' . . . 52152 1 7 '2D 1H-15N HSQC' . . . 52152 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52152 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 4 4 MET H H 1 8.330434431 0.001547312456 . 1 . . . . . 0 MET H . 52152 1 2 . 1 . 1 4 4 MET C C 13 175.5496242 0 . 1 . . . . . 0 MET C . 52152 1 3 . 1 . 1 4 4 MET CA C 13 55.51110029 0.09181021902 . 1 . . . . . 0 MET CA . 52152 1 4 . 1 . 1 4 4 MET CB C 13 32.69410813 0 . 1 . . . . . 0 MET CB . 52152 1 5 . 1 . 1 4 4 MET N N 15 122.2710857 0.05932493093 . 1 . . . . . 0 MET N . 52152 1 6 . 1 . 1 5 5 ALA H H 1 8.460099561 0.001694319083 . 1 . . . . . 1 ALA H . 52152 1 7 . 1 . 1 5 5 ALA C C 13 177.6222638 0 . 1 . . . . . 1 ALA C . 52152 1 8 . 1 . 1 5 5 ALA CA C 13 52.31023368 0.1080827504 . 1 . . . . . 1 ALA CA . 52152 1 9 . 1 . 1 5 5 ALA CB C 13 19.29835884 0 . 1 . . . . . 1 ALA CB . 52152 1 10 . 1 . 1 5 5 ALA N N 15 126.2297907 0.08254467494 . 1 . . . . . 1 ALA N . 52152 1 11 . 1 . 1 6 6 SER H H 1 8.558637117 0.001475313419 . 1 . . . . . 2 SER H . 52152 1 12 . 1 . 1 6 6 SER C C 13 174.8478895 0 . 1 . . . . . 2 SER C . 52152 1 13 . 1 . 1 6 6 SER CA C 13 58.80825333 0.08430806297 . 1 . . . . . 2 SER CA . 52152 1 14 . 1 . 1 6 6 SER CB C 13 64.30541362 0 . 1 . . . . . 2 SER CB . 52152 1 15 . 1 . 1 6 6 SER N N 15 116.7184537 0.07314163675 . 1 . . . . . 2 SER N . 52152 1 16 . 1 . 1 7 7 THR H H 1 7.881507448 0.00167192773 . 1 . . . . . 3 THR H . 52152 1 17 . 1 . 1 7 7 THR C C 13 174.7661466 0 . 1 . . . . . 3 THR C . 52152 1 18 . 1 . 1 7 7 THR CA C 13 61.90417497 0.07794520085 . 1 . . . . . 3 THR CA . 52152 1 19 . 1 . 1 7 7 THR CB C 13 69.07865807 0 . 1 . . . . . 3 THR CB . 52152 1 20 . 1 . 1 7 7 THR N N 15 111.9214913 0.07279181218 . 1 . . . . . 3 THR N . 52152 1 21 . 1 . 1 8 8 ASP H H 1 7.998528772 0.00235476265 . 1 . . . . . 4 ASP H . 52152 1 22 . 1 . 1 8 8 ASP CA C 13 53.42266724 0 . 1 . . . . . 4 ASP CA . 52152 1 23 . 1 . 1 8 8 ASP CB C 13 41.99447832 0 . 1 . . . . . 4 ASP CB . 52152 1 24 . 1 . 1 8 8 ASP N N 15 119.3888582 0.05941484703 . 1 . . . . . 4 ASP N . 52152 1 25 . 1 . 1 9 9 TYR H H 1 7.884353131 0.002877469854 . 1 . . . . . 5 TYR H . 52152 1 26 . 1 . 1 9 9 TYR C C 13 172.9691964 0 . 1 . . . . . 5 TYR C . 52152 1 27 . 1 . 1 9 9 TYR CA C 13 58.24680446 0.07662056688 . 1 . . . . . 5 TYR CA . 52152 1 28 . 1 . 1 9 9 TYR N N 15 121.1924295 0.08096764003 . 1 . . . . . 5 TYR N . 52152 1 29 . 1 . 1 10 10 TRP H H 1 7.366664083 0.002137575417 . 1 . . . . . 6 TRP H . 52152 1 30 . 1 . 1 10 10 TRP C C 13 171.1462269 0 . 1 . . . . . 6 TRP C . 52152 1 31 . 1 . 1 10 10 TRP CA C 13 54.22054508 0.08614160842 . 1 . . . . . 6 TRP CA . 52152 1 32 . 1 . 1 10 10 TRP CB C 13 32.52469065 0 . 1 . . . . . 6 TRP CB . 52152 1 33 . 1 . 1 10 10 TRP N N 15 132.068829 0.08846476755 . 1 . . . . . 6 TRP N . 52152 1 34 . 1 . 1 11 11 GLN H H 1 8.099689361 0.002420555615 . 1 . . . . . 7 GLN H . 52152 1 35 . 1 . 1 11 11 GLN C C 13 171.9567945 0 . 1 . . . . . 7 GLN C . 52152 1 36 . 1 . 1 11 11 GLN CA C 13 52.37932286 0.03476477328 . 1 . . . . . 7 GLN CA . 52152 1 37 . 1 . 1 11 11 GLN CB C 13 29.93425329 0 . 1 . . . . . 7 GLN CB . 52152 1 38 . 1 . 1 11 11 GLN N N 15 127.6762451 0.07752029856 . 1 . . . . . 7 GLN N . 52152 1 39 . 1 . 1 12 12 ASN H H 1 7.951911521 0.00142431551 . 1 . . . . . 8 ASN H . 52152 1 40 . 1 . 1 12 12 ASN C C 13 172.7934573 0 . 1 . . . . . 8 ASN C . 52152 1 41 . 1 . 1 12 12 ASN CA C 13 52.34215607 0.1155850805 . 1 . . . . . 8 ASN CA . 52152 1 42 . 1 . 1 12 12 ASN CB C 13 37.16763239 0.000000674 . 1 . . . . . 8 ASN CB . 52152 1 43 . 1 . 1 12 12 ASN N N 15 124.1220626 0.05745545992 . 1 . . . . . 8 ASN N . 52152 1 44 . 1 . 1 13 13 TRP H H 1 8.573865249 0.00172756092 . 1 . . . . . 9 TRP H . 52152 1 45 . 1 . 1 13 13 TRP C C 13 173.7172448 0 . 1 . . . . . 9 TRP C . 52152 1 46 . 1 . 1 13 13 TRP CA C 13 57.21978146 0.05449982972 . 1 . . . . . 9 TRP CA . 52152 1 47 . 1 . 1 13 13 TRP CB C 13 31.36805623 0 . 1 . . . . . 9 TRP CB . 52152 1 48 . 1 . 1 13 13 TRP N N 15 126.544502 0.09548837015 . 1 . . . . . 9 TRP N . 52152 1 49 . 1 . 1 14 14 THR H H 1 7.08144484 0.002570427641 . 1 . . . . . 10 THR H . 52152 1 50 . 1 . 1 14 14 THR C C 13 170.804969 0 . 1 . . . . . 10 THR C . 52152 1 51 . 1 . 1 14 14 THR CA C 13 57.76452096 0 . 1 . . . . . 10 THR CA . 52152 1 52 . 1 . 1 14 14 THR CB C 13 70.02632862 0 . 1 . . . . . 10 THR CB . 52152 1 53 . 1 . 1 14 14 THR N N 15 119.5577055 0.1001149665 . 1 . . . . . 10 THR N . 52152 1 54 . 1 . 1 15 15 ASP H H 1 7.426890597 0.002145443428 . 1 . . . . . 11 ASP H . 52152 1 55 . 1 . 1 15 15 ASP C C 13 177.1395402 0 . 1 . . . . . 11 ASP C . 52152 1 56 . 1 . 1 15 15 ASP CA C 13 53.27446738 0 . 1 . . . . . 11 ASP CA . 52152 1 57 . 1 . 1 15 15 ASP CB C 13 39.89217859 0 . 1 . . . . . 11 ASP CB . 52152 1 58 . 1 . 1 15 15 ASP N N 15 122.8239529 0.05886826495 . 1 . . . . . 11 ASP N . 52152 1 59 . 1 . 1 16 16 GLY H H 1 8.411124086 0.00190483815 . 1 . . . . . 12 GLY H . 52152 1 60 . 1 . 1 16 16 GLY C C 13 174.9689163 0 . 1 . . . . . 12 GLY C . 52152 1 61 . 1 . 1 16 16 GLY CA C 13 44.73327432 0 . 1 . . . . . 12 GLY CA . 52152 1 62 . 1 . 1 16 16 GLY N N 15 109.1572975 0.0450548865 . 1 . . . . . 12 GLY N . 52152 1 63 . 1 . 1 17 17 GLY H H 1 8.429991352 0.00318550242 . 1 . . . . . 13 GLY H . 52152 1 64 . 1 . 1 17 17 GLY CA C 13 45.03842801 0.1825202845 . 1 . . . . . 13 GLY CA . 52152 1 65 . 1 . 1 17 17 GLY N N 15 109.77017 0.05406354996 . 1 . . . . . 13 GLY N . 52152 1 66 . 1 . 1 18 18 GLY H H 1 8.471335717 0.002018998193 . 1 . . . . . 14 GLY H . 52152 1 67 . 1 . 1 18 18 GLY C C 13 173.0021429 0 . 1 . . . . . 14 GLY C . 52152 1 68 . 1 . 1 18 18 GLY CA C 13 46.50198973 0 . 1 . . . . . 14 GLY CA . 52152 1 69 . 1 . 1 18 18 GLY N N 15 113.808344 0.02080708466 . 1 . . . . . 14 GLY N . 52152 1 70 . 1 . 1 19 19 ILE H H 1 8.142281145 0.002790576281 . 1 . . . . . 15 ILE H . 52152 1 71 . 1 . 1 19 19 ILE C C 13 174.6370509 0 . 1 . . . . . 15 ILE C . 52152 1 72 . 1 . 1 19 19 ILE CA C 13 59.94564061 0.1730156108 . 1 . . . . . 15 ILE CA . 52152 1 73 . 1 . 1 19 19 ILE CB C 13 40.88278117 0 . 1 . . . . . 15 ILE CB . 52152 1 74 . 1 . 1 19 19 ILE N N 15 121.3455604 0.04811275928 . 1 . . . . . 15 ILE N . 52152 1 75 . 1 . 1 20 20 VAL H H 1 8.44698217 0.002233665959 . 1 . . . . . 16 VAL H . 52152 1 76 . 1 . 1 20 20 VAL C C 13 174.1408223 0 . 1 . . . . . 16 VAL C . 52152 1 77 . 1 . 1 20 20 VAL CA C 13 62.20939538 0.1371942919 . 1 . . . . . 16 VAL CA . 52152 1 78 . 1 . 1 20 20 VAL CB C 13 32.68362843 0 . 1 . . . . . 16 VAL CB . 52152 1 79 . 1 . 1 20 20 VAL N N 15 127.2747944 0.06681634481 . 1 . . . . . 16 VAL N . 52152 1 80 . 1 . 1 21 21 ASN H H 1 8.687830617 0.002356187199 . 1 . . . . . 17 ASN H . 52152 1 81 . 1 . 1 21 21 ASN C C 13 173.4423348 0 . 1 . . . . . 17 ASN C . 52152 1 82 . 1 . 1 21 21 ASN CA C 13 51.93259876 0.09280742652 . 1 . . . . . 17 ASN CA . 52152 1 83 . 1 . 1 21 21 ASN CB C 13 38.20551106 0 . 1 . . . . . 17 ASN CB . 52152 1 84 . 1 . 1 21 21 ASN N N 15 126.1986451 0.09540279971 . 1 . . . . . 17 ASN N . 52152 1 85 . 1 . 1 22 22 ALA H H 1 8.773326117 0.001488364497 . 1 . . . . . 18 ALA H . 52152 1 86 . 1 . 1 22 22 ALA C C 13 176.285284 0 . 1 . . . . . 18 ALA C . 52152 1 87 . 1 . 1 22 22 ALA CA C 13 50.74078778 0.06928642483 . 1 . . . . . 18 ALA CA . 52152 1 88 . 1 . 1 22 22 ALA CB C 13 22.11830872 0.0000002384 . 1 . . . . . 18 ALA CB . 52152 1 89 . 1 . 1 22 22 ALA N N 15 130.2427934 0.01974706789 . 1 . . . . . 18 ALA N . 52152 1 90 . 1 . 1 23 23 VAL H H 1 9.351664965 0.001152764376 . 1 . . . . . 19 VAL H . 52152 1 91 . 1 . 1 23 23 VAL C C 13 174.1065189 0 . 1 . . . . . 19 VAL C . 52152 1 92 . 1 . 1 23 23 VAL CA C 13 62.06734249 0.09715586673 . 1 . . . . . 19 VAL CA . 52152 1 93 . 1 . 1 23 23 VAL CB C 13 33.70449411 0.1054311788 . 1 . . . . . 19 VAL CB . 52152 1 94 . 1 . 1 23 23 VAL N N 15 124.9126835 0.08513047267 . 1 . . . . . 19 VAL N . 52152 1 95 . 1 . 1 24 24 ASN H H 1 8.323153428 0.001702152528 . 1 . . . . . 20 ASN H . 52152 1 96 . 1 . 1 24 24 ASN C C 13 174.938203 0 . 1 . . . . . 20 ASN C . 52152 1 97 . 1 . 1 24 24 ASN CA C 13 51.50323327 0.126404748 . 1 . . . . . 20 ASN CA . 52152 1 98 . 1 . 1 24 24 ASN CB C 13 35.1370069 0 . 1 . . . . . 20 ASN CB . 52152 1 99 . 1 . 1 24 24 ASN N N 15 126.0733388 0.07407458639 . 1 . . . . . 20 ASN N . 52152 1 100 . 1 . 1 25 25 GLY H H 1 7.170438521 0.002735464949 . 1 . . . . . 21 GLY H . 52152 1 101 . 1 . 1 25 25 GLY C C 13 172.6172692 0 . 1 . . . . . 21 GLY C . 52152 1 102 . 1 . 1 25 25 GLY CA C 13 44.01062011 0.1983705442 . 1 . . . . . 21 GLY CA . 52152 1 103 . 1 . 1 25 25 GLY N N 15 113.433897 0.08899657943 . 1 . . . . . 21 GLY N . 52152 1 104 . 1 . 1 26 26 SER H H 1 8.290608613 0.001742769428 . 1 . . . . . 22 SER H . 52152 1 105 . 1 . 1 26 26 SER C C 13 176.7486172 0 . 1 . . . . . 22 SER C . 52152 1 106 . 1 . 1 26 26 SER CA C 13 58.53493091 0.1004762786 . 1 . . . . . 22 SER CA . 52152 1 107 . 1 . 1 26 26 SER CB C 13 63.51449835 0 . 1 . . . . . 22 SER CB . 52152 1 108 . 1 . 1 26 26 SER N N 15 113.0461526 0.06850615917 . 1 . . . . . 22 SER N . 52152 1 109 . 1 . 1 27 27 GLY H H 1 8.893267525 0.002376880911 . 1 . . . . . 23 GLY H . 52152 1 110 . 1 . 1 27 27 GLY C C 13 175.6881724 0 . 1 . . . . . 23 GLY C . 52152 1 111 . 1 . 1 27 27 GLY CA C 13 47.3925565 0.1284463103 . 1 . . . . . 23 GLY CA . 52152 1 112 . 1 . 1 27 27 GLY N N 15 113.88441 0.037960248 . 1 . . . . . 23 GLY N . 52152 1 113 . 1 . 1 28 28 GLY H H 1 9.276135494 0.004525343298 . 1 . . . . . 24 GLY H . 52152 1 114 . 1 . 1 28 28 GLY CA C 13 45.97597683 0 . 1 . . . . . 24 GLY CA . 52152 1 115 . 1 . 1 28 28 GLY N N 15 116.2891136 0.04130103846 . 1 . . . . . 24 GLY N . 52152 1 116 . 1 . 1 29 29 ASN H H 1 8.119165665 0.002405343052 . 1 . . . . . 25 ASN H . 52152 1 117 . 1 . 1 29 29 ASN C C 13 175.4934632 0 . 1 . . . . . 25 ASN C . 52152 1 118 . 1 . 1 29 29 ASN CA C 13 54.20087497 0.1175669312 . 1 . . . . . 25 ASN CA . 52152 1 119 . 1 . 1 29 29 ASN CB C 13 42.52679802 0 . 1 . . . . . 25 ASN CB . 52152 1 120 . 1 . 1 29 29 ASN N N 15 119.060989 0.07284620516 . 1 . . . . . 25 ASN N . 52152 1 121 . 1 . 1 30 30 TYR H H 1 9.69123056 0.001619512664 . 1 . . . . . 26 TYR H . 52152 1 122 . 1 . 1 30 30 TYR C C 13 170.8010193 0 . 1 . . . . . 26 TYR C . 52152 1 123 . 1 . 1 30 30 TYR CA C 13 57.46528619 0.09307718688 . 1 . . . . . 26 TYR CA . 52152 1 124 . 1 . 1 30 30 TYR CB C 13 42.7637525 0.05973043807 . 1 . . . . . 26 TYR CB . 52152 1 125 . 1 . 1 30 30 TYR N N 15 124.9828805 0.06132082013 . 1 . . . . . 26 TYR N . 52152 1 126 . 1 . 1 31 31 SER H H 1 8.694981665 0.001824627978 . 1 . . . . . 27 SER H . 52152 1 127 . 1 . 1 31 31 SER C C 13 173.0883439 0 . 1 . . . . . 27 SER C . 52152 1 128 . 1 . 1 31 31 SER CA C 13 56.53599092 0.01572117687 . 1 . . . . . 27 SER CA . 52152 1 129 . 1 . 1 31 31 SER CB C 13 66.4353266 0 . 1 . . . . . 27 SER CB . 52152 1 130 . 1 . 1 31 31 SER N N 15 111.785825 0.08024989617 . 1 . . . . . 27 SER N . 52152 1 131 . 1 . 1 32 32 VAL H H 1 9.106367468 0.001434578602 . 1 . . . . . 28 VAL H . 52152 1 132 . 1 . 1 32 32 VAL C C 13 174.007252 0 . 1 . . . . . 28 VAL C . 52152 1 133 . 1 . 1 32 32 VAL CA C 13 60.9835362 0.07748208742 . 1 . . . . . 28 VAL CA . 52152 1 134 . 1 . 1 32 32 VAL CB C 13 34.57687746 0 . 1 . . . . . 28 VAL CB . 52152 1 135 . 1 . 1 32 32 VAL N N 15 119.0006211 0.1153384037 . 1 . . . . . 28 VAL N . 52152 1 136 . 1 . 1 33 33 ASN H H 1 8.421834125 0.001587938992 . 1 . . . . . 29 ASN H . 52152 1 137 . 1 . 1 33 33 ASN C C 13 173.1841233 0 . 1 . . . . . 29 ASN C . 52152 1 138 . 1 . 1 33 33 ASN CA C 13 53.132247 0.01170904645 . 1 . . . . . 29 ASN CA . 52152 1 139 . 1 . 1 33 33 ASN CB C 13 41.44020379 0 . 1 . . . . . 29 ASN CB . 52152 1 140 . 1 . 1 33 33 ASN N N 15 126.2732276 0.08894775863 . 1 . . . . . 29 ASN N . 52152 1 141 . 1 . 1 34 34 TRP H H 1 9.331280441 0.002816226289 . 1 . . . . . 30 TRP H . 52152 1 142 . 1 . 1 34 34 TRP C C 13 175.1186696 0 . 1 . . . . . 30 TRP C . 52152 1 143 . 1 . 1 34 34 TRP CA C 13 55.43219035 0.08137736744 . 1 . . . . . 30 TRP CA . 52152 1 144 . 1 . 1 34 34 TRP CB C 13 32.77002557 0 . 1 . . . . . 30 TRP CB . 52152 1 145 . 1 . 1 34 34 TRP N N 15 125.4999795 0.05499598726 . 1 . . . . . 30 TRP N . 52152 1 146 . 1 . 1 35 35 SER H H 1 9.19911728 0.002847436422 . 1 . . . . . 31 SER H . 52152 1 147 . 1 . 1 35 35 SER C C 13 172.3357991 0 . 1 . . . . . 31 SER C . 52152 1 148 . 1 . 1 35 35 SER CA C 13 57.42121423 0 . 1 . . . . . 31 SER CA . 52152 1 149 . 1 . 1 35 35 SER CB C 13 64.76224686 0 . 1 . . . . . 31 SER CB . 52152 1 150 . 1 . 1 35 35 SER N N 15 116.4102318 0.08709404563 . 1 . . . . . 31 SER N . 52152 1 151 . 1 . 1 37 37 THR H H 1 8.145131037 0.002461117233 . 1 . . . . . 33 THR H . 52152 1 152 . 1 . 1 37 37 THR C C 13 178.78249 0 . 1 . . . . . 33 THR C . 52152 1 153 . 1 . 1 37 37 THR CA C 13 63.00849226 0.0720230552 . 1 . . . . . 33 THR CA . 52152 1 154 . 1 . 1 37 37 THR CB C 13 71.23418782 0.00000095 . 1 . . . . . 33 THR CB . 52152 1 155 . 1 . 1 37 37 THR N N 15 106.2922637 0.06110768792 . 1 . . . . . 33 THR N . 52152 1 156 . 1 . 1 38 38 GLY H H 1 7.572032563 0.001815264325 . 1 . . . . . 34 GLY H . 52152 1 157 . 1 . 1 38 38 GLY N N 15 106.1163424 0.06942546124 . 1 . . . . . 34 GLY N . 52152 1 158 . 1 . 1 39 39 ASN H H 1 9.675556763 0.002595507931 . 1 . . . . . 35 ASN H . 52152 1 159 . 1 . 1 39 39 ASN CA C 13 52.28162246 0.2203691729 . 1 . . . . . 35 ASN CA . 52152 1 160 . 1 . 1 39 39 ASN N N 15 128.2199562 0.07035144535 . 1 . . . . . 35 ASN N . 52152 1 161 . 1 . 1 40 40 PHE H H 1 7.689669197 0.001659374767 . 1 . . . . . 36 PHE H . 52152 1 162 . 1 . 1 40 40 PHE C C 13 172.3991719 0 . 1 . . . . . 36 PHE C . 52152 1 163 . 1 . 1 40 40 PHE CA C 13 52.3434921 0.2112451432 . 1 . . . . . 36 PHE CA . 52152 1 164 . 1 . 1 40 40 PHE CB C 13 41.6915544 0 . 1 . . . . . 36 PHE CB . 52152 1 165 . 1 . 1 40 40 PHE N N 15 119.1707949 0.09548388327 . 1 . . . . . 36 PHE N . 52152 1 166 . 1 . 1 41 41 VAL H H 1 9.112555906 0.00271895798 . 1 . . . . . 37 VAL H . 52152 1 167 . 1 . 1 41 41 VAL C C 13 173.4176607 0 . 1 . . . . . 37 VAL C . 52152 1 168 . 1 . 1 41 41 VAL CA C 13 62.72245786 0.09260818285 . 1 . . . . . 37 VAL CA . 52152 1 169 . 1 . 1 41 41 VAL CB C 13 35.46544951 0 . 1 . . . . . 37 VAL CB . 52152 1 170 . 1 . 1 41 41 VAL N N 15 120.0779404 0.08451621888 . 1 . . . . . 37 VAL N . 52152 1 171 . 1 . 1 42 42 VAL H H 1 8.55446706 0.003030203247 . 1 . . . . . 38 VAL H . 52152 1 172 . 1 . 1 42 42 VAL C C 13 174.7350167 0 . 1 . . . . . 38 VAL C . 52152 1 173 . 1 . 1 42 42 VAL CA C 13 58.34834356 0 . 1 . . . . . 38 VAL CA . 52152 1 174 . 1 . 1 42 42 VAL CB C 13 36.29346714 0 . 1 . . . . . 38 VAL CB . 52152 1 175 . 1 . 1 42 42 VAL N N 15 127.0491436 0.08109748382 . 1 . . . . . 38 VAL N . 52152 1 176 . 1 . 1 43 43 GLY H H 1 8.39038282 0.002330048508 . 1 . . . . . 39 GLY H . 52152 1 177 . 1 . 1 43 43 GLY C C 13 169.737829 0 . 1 . . . . . 39 GLY C . 52152 1 178 . 1 . 1 43 43 GLY CA C 13 45.62143735 0.1692300878 . 1 . . . . . 39 GLY CA . 52152 1 179 . 1 . 1 43 43 GLY N N 15 108.7896143 0.09558064228 . 1 . . . . . 39 GLY N . 52152 1 180 . 1 . 1 44 44 LYS H H 1 6.368567534 0.002428579925 . 1 . . . . . 40 LYS H . 52152 1 181 . 1 . 1 44 44 LYS C C 13 175.4056183 0 . 1 . . . . . 40 LYS C . 52152 1 182 . 1 . 1 44 44 LYS CA C 13 54.52729857 0.1175330708 . 1 . . . . . 40 LYS CA . 52152 1 183 . 1 . 1 44 44 LYS CB C 13 38.22424144 0 . 1 . . . . . 40 LYS CB . 52152 1 184 . 1 . 1 44 44 LYS N N 15 115.7377471 0.07498408282 . 1 . . . . . 40 LYS N . 52152 1 185 . 1 . 1 45 45 GLY H H 1 7.966132837 0.002172627243 . 1 . . . . . 41 GLY H . 52152 1 186 . 1 . 1 45 45 GLY C C 13 170.3389841 0 . 1 . . . . . 41 GLY C . 52152 1 187 . 1 . 1 45 45 GLY CA C 13 47.32987371 0.05234544529 . 1 . . . . . 41 GLY CA . 52152 1 188 . 1 . 1 45 45 GLY N N 15 108.5481169 0.09558179433 . 1 . . . . . 41 GLY N . 52152 1 189 . 1 . 1 46 46 TRP H H 1 9.622094603 0.002502530849 . 1 . . . . . 42 TRP H . 52152 1 190 . 1 . 1 46 46 TRP C C 13 174.9283257 0 . 1 . . . . . 42 TRP C . 52152 1 191 . 1 . 1 46 46 TRP CA C 13 59.57096785 0.01757626147 . 1 . . . . . 42 TRP CA . 52152 1 192 . 1 . 1 46 46 TRP CB C 13 32.51070762 0 . 1 . . . . . 42 TRP CB . 52152 1 193 . 1 . 1 46 46 TRP N N 15 130.0219081 0.06916269474 . 1 . . . . . 42 TRP N . 52152 1 194 . 1 . 1 47 47 THR H H 1 10.10941842 0.002015564595 . 1 . . . . . 43 THR H . 52152 1 195 . 1 . 1 47 47 THR C C 13 174.9996164 0 . 1 . . . . . 43 THR C . 52152 1 196 . 1 . 1 47 47 THR CA C 13 66.2871332 0 . 1 . . . . . 43 THR CA . 52152 1 197 . 1 . 1 47 47 THR N N 15 123.4127992 0.07678142418 . 1 . . . . . 43 THR N . 52152 1 198 . 1 . 1 48 48 THR H H 1 7.96083857 0.001801424595 . 1 . . . . . 44 THR H . 52152 1 199 . 1 . 1 48 48 THR C C 13 174.9612146 0 . 1 . . . . . 44 THR C . 52152 1 200 . 1 . 1 48 48 THR CA C 13 60.82196289 0.0630230912 . 1 . . . . . 44 THR CA . 52152 1 201 . 1 . 1 48 48 THR CB C 13 69.64738009 0 . 1 . . . . . 44 THR CB . 52152 1 202 . 1 . 1 48 48 THR N N 15 114.5069897 0.07080430986 . 1 . . . . . 44 THR N . 52152 1 203 . 1 . 1 49 49 GLY H H 1 8.116673143 0.004839767527 . 1 . . . . . 45 GLY H . 52152 1 204 . 1 . 1 49 49 GLY CA C 13 45.59831449 0 . 1 . . . . . 45 GLY CA . 52152 1 205 . 1 . 1 49 49 GLY N N 15 110.1852548 0.1446289906 . 1 . . . . . 45 GLY N . 52152 1 206 . 1 . 1 50 50 SER H H 1 6.734777726 0.001252275007 . 1 . . . . . 46 SER H . 52152 1 207 . 1 . 1 50 50 SER CA C 13 52.12585553 0.2369628177 . 1 . . . . . 46 SER CA . 52152 1 208 . 1 . 1 50 50 SER CB C 13 65.39829262 0 . 1 . . . . . 46 SER CB . 52152 1 209 . 1 . 1 50 50 SER N N 15 109.648778 0.07610604774 . 1 . . . . . 46 SER N . 52152 1 210 . 1 . 1 52 52 PHE H H 1 7.173078455 0.001276911469 . 1 . . . . . 48 PHE H . 52152 1 211 . 1 . 1 52 52 PHE C C 13 175.6503048 0 . 1 . . . . . 48 PHE C . 52152 1 212 . 1 . 1 52 52 PHE CA C 13 55.4582092 0.103662644 . 1 . . . . . 48 PHE CA . 52152 1 213 . 1 . 1 52 52 PHE CB C 13 39.25652025 0 . 1 . . . . . 48 PHE CB . 52152 1 214 . 1 . 1 52 52 PHE N N 15 113.5570686 0.06150546714 . 1 . . . . . 48 PHE N . 52152 1 215 . 1 . 1 53 53 ARG H H 1 6.512591584 0.002220445442 . 1 . . . . . 49 ARG H . 52152 1 216 . 1 . 1 53 53 ARG C C 13 175.8045727 0 . 1 . . . . . 49 ARG C . 52152 1 217 . 1 . 1 53 53 ARG CA C 13 56.67431703 0 . 1 . . . . . 49 ARG CA . 52152 1 218 . 1 . 1 53 53 ARG CB C 13 31.45960911 0 . 1 . . . . . 49 ARG CB . 52152 1 219 . 1 . 1 53 53 ARG N N 15 121.9726126 0.0292608726 . 1 . . . . . 49 ARG N . 52152 1 220 . 1 . 1 54 54 THR H H 1 8.598209253 0.001704037226 . 1 . . . . . 50 THR H . 52152 1 221 . 1 . 1 54 54 THR C C 13 175.8329244 0 . 1 . . . . . 50 THR C . 52152 1 222 . 1 . 1 54 54 THR CA C 13 62.38526281 0 . 1 . . . . . 50 THR CA . 52152 1 223 . 1 . 1 54 54 THR CB C 13 68.95524032 0 . 1 . . . . . 50 THR CB . 52152 1 224 . 1 . 1 54 54 THR N N 15 124.912823 0.05216981741 . 1 . . . . . 50 THR N . 52152 1 225 . 1 . 1 55 55 ILE H H 1 8.686138184 0.002064299385 . 1 . . . . . 51 ILE H . 52152 1 226 . 1 . 1 55 55 ILE C C 13 173.1481867 0 . 1 . . . . . 51 ILE C . 52152 1 227 . 1 . 1 55 55 ILE CA C 13 62.7384165 0.1911229552 . 1 . . . . . 51 ILE CA . 52152 1 228 . 1 . 1 55 55 ILE CB C 13 40.04757285 0 . 1 . . . . . 51 ILE CB . 52152 1 229 . 1 . 1 55 55 ILE N N 15 129.3104342 0.0766589706 . 1 . . . . . 51 ILE N . 52152 1 230 . 1 . 1 56 56 ASN H H 1 8.537423409 0.002982090049 . 1 . . . . . 52 ASN H . 52152 1 231 . 1 . 1 56 56 ASN C C 13 172.4731156 0 . 1 . . . . . 52 ASN C . 52152 1 232 . 1 . 1 56 56 ASN CA C 13 51.00409161 0.08128050741 . 1 . . . . . 52 ASN CA . 52152 1 233 . 1 . 1 56 56 ASN CB C 13 39.78314134 0 . 1 . . . . . 52 ASN CB . 52152 1 234 . 1 . 1 56 56 ASN N N 15 126.0894465 0.09135014288 . 1 . . . . . 52 ASN N . 52152 1 235 . 1 . 1 57 57 TYR H H 1 8.575729396 0.001825335059 . 1 . . . . . 53 TYR H . 52152 1 236 . 1 . 1 57 57 TYR C C 13 172.3763305 0 . 1 . . . . . 53 TYR C . 52152 1 237 . 1 . 1 57 57 TYR CA C 13 56.67068811 0.1043543455 . 1 . . . . . 53 TYR CA . 52152 1 238 . 1 . 1 57 57 TYR CB C 13 40.78845894 0 . 1 . . . . . 53 TYR CB . 52152 1 239 . 1 . 1 57 57 TYR N N 15 115.6615163 0.07401982401 . 1 . . . . . 53 TYR N . 52152 1 240 . 1 . 1 58 58 ASN H H 1 8.912116353 0.003670538725 . 1 . . . . . 54 ASN H . 52152 1 241 . 1 . 1 58 58 ASN C C 13 176.0640931 0 . 1 . . . . . 54 ASN C . 52152 1 242 . 1 . 1 58 58 ASN CA C 13 52.95818335 0.07259241299 . 1 . . . . . 54 ASN CA . 52152 1 243 . 1 . 1 58 58 ASN CB C 13 40.5536459 0 . 1 . . . . . 54 ASN CB . 52152 1 244 . 1 . 1 58 58 ASN N N 15 116.7821309 0.08944857146 . 1 . . . . . 54 ASN N . 52152 1 245 . 1 . 1 59 59 ALA H H 1 9.618858985 0.003168683449 . 1 . . . . . 55 ALA H . 52152 1 246 . 1 . 1 59 59 ALA C C 13 174.9375445 0 . 1 . . . . . 55 ALA C . 52152 1 247 . 1 . 1 59 59 ALA CA C 13 50.20821955 0 . 1 . . . . . 55 ALA CA . 52152 1 248 . 1 . 1 59 59 ALA CB C 13 18.02330859 0 . 1 . . . . . 55 ALA CB . 52152 1 249 . 1 . 1 59 59 ALA N N 15 132.5663729 0.09434924644 . 1 . . . . . 55 ALA N . 52152 1 250 . 1 . 1 60 60 GLY H H 1 8.260238143 0.002124166159 . 1 . . . . . 56 GLY H . 52152 1 251 . 1 . 1 60 60 GLY C C 13 175.0339766 0 . 1 . . . . . 56 GLY C . 52152 1 252 . 1 . 1 60 60 GLY CA C 13 46.90005974 0.09810177941 . 1 . . . . . 56 GLY CA . 52152 1 253 . 1 . 1 60 60 GLY N N 15 116.3311463 0.07272753035 . 1 . . . . . 56 GLY N . 52152 1 254 . 1 . 1 61 61 VAL H H 1 8.181750375 0.001572651102 . 1 . . . . . 57 VAL H . 52152 1 255 . 1 . 1 61 61 VAL CA C 13 62.41439431 0 . 1 . . . . . 57 VAL CA . 52152 1 256 . 1 . 1 61 61 VAL CB C 13 35.58850998 0 . 1 . . . . . 57 VAL CB . 52152 1 257 . 1 . 1 61 61 VAL N N 15 117.6915856 0.02994654088 . 1 . . . . . 57 VAL N . 52152 1 258 . 1 . 1 62 62 TRP H H 1 8.989394828 0.001886015124 . 1 . . . . . 58 TRP H . 52152 1 259 . 1 . 1 62 62 TRP C C 13 172.1305107 0 . 1 . . . . . 58 TRP C . 52152 1 260 . 1 . 1 62 62 TRP CA C 13 56.1057493 0.104772433 . 1 . . . . . 58 TRP CA . 52152 1 261 . 1 . 1 62 62 TRP CB C 13 30.93047813 0 . 1 . . . . . 58 TRP CB . 52152 1 262 . 1 . 1 62 62 TRP N N 15 127.8103177 0.08843084232 . 1 . . . . . 58 TRP N . 52152 1 263 . 1 . 1 63 63 ALA H H 1 7.99714852 0.001863509355 . 1 . . . . . 59 ALA H . 52152 1 264 . 1 . 1 63 63 ALA C C 13 173.8901849 0 . 1 . . . . . 59 ALA C . 52152 1 265 . 1 . 1 63 63 ALA CA C 13 49.59622397 0.1041677717 . 1 . . . . . 59 ALA CA . 52152 1 266 . 1 . 1 63 63 ALA CB C 13 18.1283845 0 . 1 . . . . . 59 ALA CB . 52152 1 267 . 1 . 1 63 63 ALA N N 15 128.2414105 0.07652985601 . 1 . . . . . 59 ALA N . 52152 1 268 . 1 . 1 65 65 ASN H H 1 9.259385284 0.00180296865 . 1 . . . . . 61 ASN H . 52152 1 269 . 1 . 1 65 65 ASN C C 13 173.6142827 0 . 1 . . . . . 61 ASN C . 52152 1 270 . 1 . 1 65 65 ASN CA C 13 51.77725282 0 . 1 . . . . . 61 ASN CA . 52152 1 271 . 1 . 1 65 65 ASN CB C 13 37.2663527 0 . 1 . . . . . 61 ASN CB . 52152 1 272 . 1 . 1 65 65 ASN N N 15 125.0421653 0.07681944731 . 1 . . . . . 61 ASN N . 52152 1 273 . 1 . 1 66 66 GLY H H 1 8.163408735 0.003091415552 . 1 . . . . . 62 GLY H . 52152 1 274 . 1 . 1 66 66 GLY C C 13 174.4710564 0 . 1 . . . . . 62 GLY C . 52152 1 275 . 1 . 1 66 66 GLY CA C 13 44.34079482 0 . 1 . . . . . 62 GLY CA . 52152 1 276 . 1 . 1 66 66 GLY N N 15 109.7949649 0.05878070017 . 1 . . . . . 62 GLY N . 52152 1 277 . 1 . 1 67 67 ASN H H 1 8.888905403 0.001808070457 . 1 . . . . . 63 ASN H . 52152 1 278 . 1 . 1 67 67 ASN C C 13 176.2528213 0 . 1 . . . . . 63 ASN C . 52152 1 279 . 1 . 1 67 67 ASN CA C 13 53.67775541 0 . 1 . . . . . 63 ASN CA . 52152 1 280 . 1 . 1 67 67 ASN CB C 13 37.92628818 0 . 1 . . . . . 63 ASN CB . 52152 1 281 . 1 . 1 67 67 ASN N N 15 123.3547744 0.07502601664 . 1 . . . . . 63 ASN N . 52152 1 282 . 1 . 1 68 68 GLY H H 1 7.990877297 0.002308149107 . 1 . . . . . 64 GLY H . 52152 1 283 . 1 . 1 68 68 GLY CA C 13 46.10625321 0.09888491974 . 1 . . . . . 64 GLY CA . 52152 1 284 . 1 . 1 68 68 GLY N N 15 117.5767281 0.0300892769 . 1 . . . . . 64 GLY N . 52152 1 285 . 1 . 1 69 69 TYR H H 1 9.660852055 0.00266281437 . 1 . . . . . 65 TYR H . 52152 1 286 . 1 . 1 69 69 TYR CA C 13 53.86629339 0.1658198433 . 1 . . . . . 65 TYR CA . 52152 1 287 . 1 . 1 69 69 TYR CB C 13 42.19800707 0 . 1 . . . . . 65 TYR CB . 52152 1 288 . 1 . 1 69 69 TYR N N 15 118.2514466 0.06042643171 . 1 . . . . . 65 TYR N . 52152 1 289 . 1 . 1 70 70 LEU H H 1 7.905812204 0.001576686773 . 1 . . . . . 66 LEU H . 52152 1 290 . 1 . 1 70 70 LEU CA C 13 54.00093598 0 . 1 . . . . . 66 LEU CA . 52152 1 291 . 1 . 1 70 70 LEU CB C 13 42.43119002 0 . 1 . . . . . 66 LEU CB . 52152 1 292 . 1 . 1 70 70 LEU N N 15 126.3820292 0.01267651065 . 1 . . . . . 66 LEU N . 52152 1 293 . 1 . 1 71 71 THR H H 1 8.909668135 0.001497042451 . 1 . . . . . 67 THR H . 52152 1 294 . 1 . 1 71 71 THR C C 13 172.06336 0 . 1 . . . . . 67 THR C . 52152 1 295 . 1 . 1 71 71 THR CA C 13 57.75574097 0.125821783 . 1 . . . . . 67 THR CA . 52152 1 296 . 1 . 1 71 71 THR CB C 13 72.22531824 0 . 1 . . . . . 67 THR CB . 52152 1 297 . 1 . 1 71 71 THR N N 15 121.133675 0.07260039409 . 1 . . . . . 67 THR N . 52152 1 298 . 1 . 1 72 72 LEU H H 1 9.273427151 0.001557312622 . 1 . . . . . 68 LEU H . 52152 1 299 . 1 . 1 72 72 LEU CA C 13 55.83883587 0.1017808055 . 1 . . . . . 68 LEU CA . 52152 1 300 . 1 . 1 72 72 LEU CB C 13 42.74244748 0 . 1 . . . . . 68 LEU CB . 52152 1 301 . 1 . 1 72 72 LEU N N 15 133.5860962 0.04322896611 . 1 . . . . . 68 LEU N . 52152 1 302 . 1 . 1 73 73 TYR H H 1 9.569402961 0.001132547647 . 1 . . . . . 69 TYR H . 52152 1 303 . 1 . 1 73 73 TYR CA C 13 56.24984376 0.2116919527 . 1 . . . . . 69 TYR CA . 52152 1 304 . 1 . 1 73 73 TYR CB C 13 43.21436907 0 . 1 . . . . . 69 TYR CB . 52152 1 305 . 1 . 1 73 73 TYR N N 15 133.1176147 0.07796365384 . 1 . . . . . 69 TYR N . 52152 1 306 . 1 . 1 74 74 GLY H H 1 6.352228596 0.002916381352 . 1 . . . . . 70 GLY H . 52152 1 307 . 1 . 1 74 74 GLY C C 13 182.400518 0 . 1 . . . . . 70 GLY C . 52152 1 308 . 1 . 1 74 74 GLY CA C 13 45.23755818 0 . 1 . . . . . 70 GLY CA . 52152 1 309 . 1 . 1 74 74 GLY N N 15 112.2489867 0.05750483248 . 1 . . . . . 70 GLY N . 52152 1 310 . 1 . 1 75 75 TRP H H 1 6.060732691 0.002201562914 . 1 . . . . . 71 TRP H . 52152 1 311 . 1 . 1 75 75 TRP CA C 13 55.03934512 0 . 1 . . . . . 71 TRP CA . 52152 1 312 . 1 . 1 75 75 TRP CB C 13 35.4528822 0 . 1 . . . . . 71 TRP CB . 52152 1 313 . 1 . 1 75 75 TRP N N 15 110.704025 0.1229721431 . 1 . . . . . 71 TRP N . 52152 1 314 . 1 . 1 76 76 THR H H 1 9.07546328 0.002044140916 . 1 . . . . . 72 THR H . 52152 1 315 . 1 . 1 76 76 THR C C 13 171.7108095 0 . 1 . . . . . 72 THR C . 52152 1 316 . 1 . 1 76 76 THR CA C 13 60.7542758 0.03890177776 . 1 . . . . . 72 THR CA . 52152 1 317 . 1 . 1 76 76 THR CB C 13 72.53738962 0 . 1 . . . . . 72 THR CB . 52152 1 318 . 1 . 1 76 76 THR N N 15 112.578303 0.1002657056 . 1 . . . . . 72 THR N . 52152 1 319 . 1 . 1 77 77 ARG H H 1 8.834509739 0.002434227612 . 1 . . . . . 73 ARG H . 52152 1 320 . 1 . 1 77 77 ARG C C 13 175.8377704 0 . 1 . . . . . 73 ARG C . 52152 1 321 . 1 . 1 77 77 ARG CA C 13 55.25440137 0 . 1 . . . . . 73 ARG CA . 52152 1 322 . 1 . 1 77 77 ARG CB C 13 33.335541 0 . 1 . . . . . 73 ARG CB . 52152 1 323 . 1 . 1 77 77 ARG N N 15 116.6351049 0.03951159499 . 1 . . . . . 73 ARG N . 52152 1 324 . 1 . 1 78 78 SER H H 1 8.549231958 0.001356809587 . 1 . . . . . 74 SER H . 52152 1 325 . 1 . 1 78 78 SER C C 13 175.847238 0 . 1 . . . . . 74 SER C . 52152 1 326 . 1 . 1 78 78 SER CA C 13 57.70975698 0 . 1 . . . . . 74 SER CA . 52152 1 327 . 1 . 1 78 78 SER CB C 13 61.70167989 0 . 1 . . . . . 74 SER CB . 52152 1 328 . 1 . 1 78 78 SER N N 15 110.4810253 0.07478866983 . 1 . . . . . 74 SER N . 52152 1 329 . 1 . 1 80 80 LEU H H 1 7.735577304 0.001906891062 . 1 . . . . . 76 LEU H . 52152 1 330 . 1 . 1 80 80 LEU C C 13 174.3533033 0 . 1 . . . . . 76 LEU C . 52152 1 331 . 1 . 1 80 80 LEU CA C 13 54.87717252 0.000000674 . 1 . . . . . 76 LEU CA . 52152 1 332 . 1 . 1 80 80 LEU CB C 13 42.13948915 0 . 1 . . . . . 76 LEU CB . 52152 1 333 . 1 . 1 80 80 LEU N N 15 119.220999 0.02775649249 . 1 . . . . . 76 LEU N . 52152 1 334 . 1 . 1 81 81 ILE H H 1 8.052631953 0.00265632409 . 1 . . . . . 77 ILE H . 52152 1 335 . 1 . 1 81 81 ILE C C 13 173.043236 0 . 1 . . . . . 77 ILE C . 52152 1 336 . 1 . 1 81 81 ILE CA C 13 58.9794352 0.08934466912 . 1 . . . . . 77 ILE CA . 52152 1 337 . 1 . 1 81 81 ILE CB C 13 41.08768055 0 . 1 . . . . . 77 ILE CB . 52152 1 338 . 1 . 1 81 81 ILE N N 15 129.8278925 0.0933912394 . 1 . . . . . 77 ILE N . 52152 1 339 . 1 . 1 82 82 GLU H H 1 7.362407549 0.001508165725 . 1 . . . . . 78 GLU H . 52152 1 340 . 1 . 1 82 82 GLU C C 13 173.3874539 0 . 1 . . . . . 78 GLU C . 52152 1 341 . 1 . 1 82 82 GLU CA C 13 52.86309681 0.1367565221 . 1 . . . . . 78 GLU CA . 52152 1 342 . 1 . 1 82 82 GLU CB C 13 31.9959884 0 . 1 . . . . . 78 GLU CB . 52152 1 343 . 1 . 1 82 82 GLU N N 15 128.8179947 0.02640743765 . 1 . . . . . 78 GLU N . 52152 1 344 . 1 . 1 83 83 TYR H H 1 7.661057112 0.002724183752 . 1 . . . . . 79 TYR H . 52152 1 345 . 1 . 1 83 83 TYR C C 13 171.6669175 0 . 1 . . . . . 79 TYR C . 52152 1 346 . 1 . 1 83 83 TYR CA C 13 54.33127724 0.07253602333 . 1 . . . . . 79 TYR CA . 52152 1 347 . 1 . 1 83 83 TYR CB C 13 42.34095461 0 . 1 . . . . . 79 TYR CB . 52152 1 348 . 1 . 1 83 83 TYR N N 15 122.6651448 0.06898822174 . 1 . . . . . 79 TYR N . 52152 1 349 . 1 . 1 84 84 TYR H H 1 8.109845358 0.002953207447 . 1 . . . . . 80 TYR H . 52152 1 350 . 1 . 1 84 84 TYR CA C 13 56.87010088 0 . 1 . . . . . 80 TYR CA . 52152 1 351 . 1 . 1 84 84 TYR N N 15 114.9337443 0.02286541951 . 1 . . . . . 80 TYR N . 52152 1 352 . 1 . 1 85 85 VAL H H 1 8.00772734 0.00223262451 . 1 . . . . . 81 VAL H . 52152 1 353 . 1 . 1 85 85 VAL C C 13 174.2325686 0 . 1 . . . . . 81 VAL C . 52152 1 354 . 1 . 1 85 85 VAL CA C 13 62.63805607 0 . 1 . . . . . 81 VAL CA . 52152 1 355 . 1 . 1 85 85 VAL CB C 13 32.05080401 0 . 1 . . . . . 81 VAL CB . 52152 1 356 . 1 . 1 85 85 VAL N N 15 118.9588495 0.09181338622 . 1 . . . . . 81 VAL N . 52152 1 357 . 1 . 1 86 86 VAL H H 1 9.58229731 0.002257916783 . 1 . . . . . 82 VAL H . 52152 1 358 . 1 . 1 86 86 VAL C C 13 175.3737691 0 . 1 . . . . . 82 VAL C . 52152 1 359 . 1 . 1 86 86 VAL CA C 13 62.91457356 0.03637441792 . 1 . . . . . 82 VAL CA . 52152 1 360 . 1 . 1 86 86 VAL CB C 13 32.90641703 0 . 1 . . . . . 82 VAL CB . 52152 1 361 . 1 . 1 86 86 VAL N N 15 126.6375516 0.06345277556 . 1 . . . . . 82 VAL N . 52152 1 362 . 1 . 1 87 87 ASP H H 1 8.351996519 0.002157141405 . 1 . . . . . 83 ASP H . 52152 1 363 . 1 . 1 87 87 ASP CA C 13 54.69710284 0.1277227062 . 1 . . . . . 83 ASP CA . 52152 1 364 . 1 . 1 87 87 ASP CB C 13 43.59071839 0 . 1 . . . . . 83 ASP CB . 52152 1 365 . 1 . 1 87 87 ASP N N 15 128.3726794 0.08157515183 . 1 . . . . . 83 ASP N . 52152 1 366 . 1 . 1 88 88 SER H H 1 8.189738176 0.001861158491 . 1 . . . . . 84 SER H . 52152 1 367 . 1 . 1 88 88 SER CA C 13 57.55123877 0.01340098436 . 1 . . . . . 84 SER CA . 52152 1 368 . 1 . 1 88 88 SER CB C 13 61.46703656 0 . 1 . . . . . 84 SER CB . 52152 1 369 . 1 . 1 88 88 SER N N 15 108.6915405 0.0585888565 . 1 . . . . . 84 SER N . 52152 1 370 . 1 . 1 89 89 TRP H H 1 7.701942017 0.002001487497 . 1 . . . . . 85 TRP H . 52152 1 371 . 1 . 1 89 89 TRP C C 13 174.9798051 0 . 1 . . . . . 85 TRP C . 52152 1 372 . 1 . 1 89 89 TRP CA C 13 57.23826272 0.1159037564 . 1 . . . . . 85 TRP CA . 52152 1 373 . 1 . 1 89 89 TRP CB C 13 29.16494562 0 . 1 . . . . . 85 TRP CB . 52152 1 374 . 1 . 1 89 89 TRP N N 15 119.5005881 0.0868637951 . 1 . . . . . 85 TRP N . 52152 1 375 . 1 . 1 90 90 GLY H H 1 9.296404617 0.003950861301 . 1 . . . . . 86 GLY H . 52152 1 376 . 1 . 1 90 90 GLY C C 13 175.0213129 0.009658673551 . 1 . . . . . 86 GLY C . 52152 1 377 . 1 . 1 90 90 GLY CA C 13 44.73374881 0.246165015 . 1 . . . . . 86 GLY CA . 52152 1 378 . 1 . 1 90 90 GLY N N 15 110.7679679 0.04748371434 . 1 . . . . . 86 GLY N . 52152 1 379 . 1 . 1 91 91 THR H H 1 8.00501547 0.001772509361 . 1 . . . . . 87 THR H . 52152 1 380 . 1 . 1 91 91 THR C C 13 175.064266 0 . 1 . . . . . 87 THR C . 52152 1 381 . 1 . 1 91 91 THR CA C 13 63.35129807 0.06789481762 . 1 . . . . . 87 THR CA . 52152 1 382 . 1 . 1 91 91 THR CB C 13 68.65640949 0 . 1 . . . . . 87 THR CB . 52152 1 383 . 1 . 1 91 91 THR N N 15 117.7585161 0.08497821464 . 1 . . . . . 87 THR N . 52152 1 384 . 1 . 1 92 92 TYR H H 1 8.159171388 0.003229919318 . 1 . . . . . 88 TYR H . 52152 1 385 . 1 . 1 92 92 TYR C C 13 172.7712317 0 . 1 . . . . . 88 TYR C . 52152 1 386 . 1 . 1 92 92 TYR CA C 13 56.43873361 0 . 1 . . . . . 88 TYR CA . 52152 1 387 . 1 . 1 92 92 TYR CB C 13 40.47374927 0 . 1 . . . . . 88 TYR CB . 52152 1 388 . 1 . 1 92 92 TYR N N 15 122.2465812 0.0379221252 . 1 . . . . . 88 TYR N . 52152 1 389 . 1 . 1 93 93 ARG H H 1 8.036488203 0.00139065714 . 1 . . . . . 89 ARG H . 52152 1 390 . 1 . 1 93 93 ARG C C 13 171.4875474 0 . 1 . . . . . 89 ARG C . 52152 1 391 . 1 . 1 93 93 ARG CA C 13 51.76377821 0 . 1 . . . . . 89 ARG CA . 52152 1 392 . 1 . 1 93 93 ARG CB C 13 30.40326306 0 . 1 . . . . . 89 ARG CB . 52152 1 393 . 1 . 1 93 93 ARG N N 15 132.5239573 0.07616014915 . 1 . . . . . 89 ARG N . 52152 1 394 . 1 . 1 95 95 THR H H 1 5.972937655 0.00213683263 . 1 . . . . . 91 THR H . 52152 1 395 . 1 . 1 95 95 THR CA C 13 58.70963997 0 . 1 . . . . . 91 THR CA . 52152 1 396 . 1 . 1 95 95 THR CB C 13 71.43594597 0 . 1 . . . . . 91 THR CB . 52152 1 397 . 1 . 1 95 95 THR N N 15 105.4684203 0.04217275351 . 1 . . . . . 91 THR N . 52152 1 398 . 1 . 1 96 96 GLY H H 1 5.168600742 0 . 1 . . . . . 92 GLY H . 52152 1 399 . 1 . 1 96 96 GLY N N 15 107.0428134 0 . 1 . . . . . 92 GLY N . 52152 1 400 . 1 . 1 97 97 THR H H 1 8.993939537 0.00155910662 . 1 . . . . . 93 THR H . 52152 1 401 . 1 . 1 97 97 THR C C 13 174.3290491 0 . 1 . . . . . 93 THR C . 52152 1 402 . 1 . 1 97 97 THR CA C 13 64.08861716 0.0293836448 . 1 . . . . . 93 THR CA . 52152 1 403 . 1 . 1 97 97 THR CB C 13 68.3023265 0 . 1 . . . . . 93 THR CB . 52152 1 404 . 1 . 1 97 97 THR N N 15 124.474158 0.06487546335 . 1 . . . . . 93 THR N . 52152 1 405 . 1 . 1 98 98 TYR H H 1 9.061852932 0.002267480871 . 1 . . . . . 94 TYR H . 52152 1 406 . 1 . 1 98 98 TYR C C 13 175.7334964 0 . 1 . . . . . 94 TYR C . 52152 1 407 . 1 . 1 98 98 TYR CA C 13 59.76057775 0.0990733847 . 1 . . . . . 94 TYR CA . 52152 1 408 . 1 . 1 98 98 TYR CB C 13 38.76053141 0 . 1 . . . . . 94 TYR CB . 52152 1 409 . 1 . 1 98 98 TYR N N 15 130.4862275 0.05634462742 . 1 . . . . . 94 TYR N . 52152 1 410 . 1 . 1 99 99 LYS H H 1 8.427729862 0.002357671009 . 1 . . . . . 95 LYS H . 52152 1 411 . 1 . 1 99 99 LYS C C 13 175.2108506 0 . 1 . . . . . 95 LYS C . 52152 1 412 . 1 . 1 99 99 LYS CA C 13 53.59851481 0.005909140066 . 1 . . . . . 95 LYS CA . 52152 1 413 . 1 . 1 99 99 LYS CB C 13 33.08071138 0 . 1 . . . . . 95 LYS CB . 52152 1 414 . 1 . 1 99 99 LYS N N 15 124.4334395 0.08256062499 . 1 . . . . . 95 LYS N . 52152 1 415 . 1 . 1 100 100 GLY H H 1 5.57534387 0.003034537443 . 1 . . . . . 96 GLY H . 52152 1 416 . 1 . 1 100 100 GLY CA C 13 44.70523243 0 . 1 . . . . . 96 GLY CA . 52152 1 417 . 1 . 1 100 100 GLY N N 15 102.9410545 0.008568337196 . 1 . . . . . 96 GLY N . 52152 1 418 . 1 . 1 101 101 THR H H 1 8.104281063 0.001897360997 . 1 . . . . . 97 THR H . 52152 1 419 . 1 . 1 101 101 THR C C 13 173.8862652 0 . 1 . . . . . 97 THR C . 52152 1 420 . 1 . 1 101 101 THR CA C 13 59.82537323 0.1283016877 . 1 . . . . . 97 THR CA . 52152 1 421 . 1 . 1 101 101 THR CB C 13 74.1128539 0 . 1 . . . . . 97 THR CB . 52152 1 422 . 1 . 1 101 101 THR N N 15 109.2051698 0.07128834668 . 1 . . . . . 97 THR N . 52152 1 423 . 1 . 1 102 102 VAL H H 1 9.228189383 0.001726523487 . 1 . . . . . 98 VAL H . 52152 1 424 . 1 . 1 102 102 VAL C C 13 171.9896309 0 . 1 . . . . . 98 VAL C . 52152 1 425 . 1 . 1 102 102 VAL CA C 13 59.69655705 0.09213031659 . 1 . . . . . 98 VAL CA . 52152 1 426 . 1 . 1 102 102 VAL CB C 13 34.53079733 0 . 1 . . . . . 98 VAL CB . 52152 1 427 . 1 . 1 102 102 VAL N N 15 119.5496014 0.05334946288 . 1 . . . . . 98 VAL N . 52152 1 428 . 1 . 1 103 103 LYS H H 1 8.482631978 0.002323437804 . 1 . . . . . 99 LYS H . 52152 1 429 . 1 . 1 103 103 LYS C C 13 176.0612828 0 . 1 . . . . . 99 LYS C . 52152 1 430 . 1 . 1 103 103 LYS CA C 13 54.96036482 0.03356448093 . 1 . . . . . 99 LYS CA . 52152 1 431 . 1 . 1 103 103 LYS CB C 13 32.81643171 0 . 1 . . . . . 99 LYS CB . 52152 1 432 . 1 . 1 103 103 LYS N N 15 128.8702493 0.02993585393 . 1 . . . . . 99 LYS N . 52152 1 433 . 1 . 1 104 104 SER H H 1 8.733113057 0.00172868834 . 1 . . . . . 100 SER H . 52152 1 434 . 1 . 1 104 104 SER C C 13 174.4939812 0 . 1 . . . . . 100 SER C . 52152 1 435 . 1 . 1 104 104 SER CA C 13 59.20014969 0.07802799382 . 1 . . . . . 100 SER CA . 52152 1 436 . 1 . 1 104 104 SER CB C 13 64.15300153 0 . 1 . . . . . 100 SER CB . 52152 1 437 . 1 . 1 104 104 SER N N 15 116.7725542 0.0622496833 . 1 . . . . . 100 SER N . 52152 1 438 . 1 . 1 105 105 ASP H H 1 9.631805986 0.001564519752 . 1 . . . . . 101 ASP H . 52152 1 439 . 1 . 1 105 105 ASP CA C 13 55.74955658 0 . 1 . . . . . 101 ASP CA . 52152 1 440 . 1 . 1 105 105 ASP CB C 13 41.34266648 0 . 1 . . . . . 101 ASP CB . 52152 1 441 . 1 . 1 105 105 ASP N N 15 124.3662037 0.0912230566 . 1 . . . . . 101 ASP N . 52152 1 442 . 1 . 1 106 106 GLY H H 1 8.816737825 0.002280617809 . 1 . . . . . 102 GLY H . 52152 1 443 . 1 . 1 106 106 GLY C C 13 173.459015 0 . 1 . . . . . 102 GLY C . 52152 1 444 . 1 . 1 106 106 GLY CA C 13 45.97862825 0.1131401328 . 1 . . . . . 102 GLY CA . 52152 1 445 . 1 . 1 106 106 GLY N N 15 105.8131212 0.0759818292 . 1 . . . . . 102 GLY N . 52152 1 446 . 1 . 1 107 107 GLY H H 1 8.168697471 0.00239107731 . 1 . . . . . 103 GLY H . 52152 1 447 . 1 . 1 107 107 GLY C C 13 172.2473383 0 . 1 . . . . . 103 GLY C . 52152 1 448 . 1 . 1 107 107 GLY CA C 13 43.16980669 0.09538400635 . 1 . . . . . 103 GLY CA . 52152 1 449 . 1 . 1 107 107 GLY N N 15 109.0354929 0.07106264005 . 1 . . . . . 103 GLY N . 52152 1 450 . 1 . 1 108 108 THR H H 1 8.19850338 0.001488564852 . 1 . . . . . 104 THR H . 52152 1 451 . 1 . 1 108 108 THR C C 13 172.3925442 0 . 1 . . . . . 104 THR C . 52152 1 452 . 1 . 1 108 108 THR CA C 13 62.58530957 0 . 1 . . . . . 104 THR CA . 52152 1 453 . 1 . 1 108 108 THR CB C 13 69.54377572 0 . 1 . . . . . 104 THR CB . 52152 1 454 . 1 . 1 108 108 THR N N 15 116.6890963 0.07416848581 . 1 . . . . . 104 THR N . 52152 1 455 . 1 . 1 109 109 TYR H H 1 9.758674915 0.002380654106 . 1 . . . . . 105 TYR H . 52152 1 456 . 1 . 1 109 109 TYR C C 13 175.4101305 0 . 1 . . . . . 105 TYR C . 52152 1 457 . 1 . 1 109 109 TYR CA C 13 55.94167488 0.03770609962 . 1 . . . . . 105 TYR CA . 52152 1 458 . 1 . 1 109 109 TYR CB C 13 39.30456988 0 . 1 . . . . . 105 TYR CB . 52152 1 459 . 1 . 1 109 109 TYR N N 15 126.013587 0.1032941295 . 1 . . . . . 105 TYR N . 52152 1 460 . 1 . 1 110 110 ASP H H 1 8.765694434 0.00194817777 . 1 . . . . . 106 ASP H . 52152 1 461 . 1 . 1 110 110 ASP CB C 13 44.79378128 0 . 1 . . . . . 106 ASP CB . 52152 1 462 . 1 . 1 110 110 ASP N N 15 121.8683885 0.07101384565 . 1 . . . . . 106 ASP N . 52152 1 463 . 1 . 1 111 111 ILE H H 1 8.401207049 0.001423453213 . 1 . . . . . 107 ILE H . 52152 1 464 . 1 . 1 111 111 ILE C C 13 174.7401089 0 . 1 . . . . . 107 ILE C . 52152 1 465 . 1 . 1 111 111 ILE CA C 13 59.38225962 0 . 1 . . . . . 107 ILE CA . 52152 1 466 . 1 . 1 111 111 ILE CB C 13 39.19634991 0 . 1 . . . . . 107 ILE CB . 52152 1 467 . 1 . 1 111 111 ILE N N 15 121.6058476 0.06818305791 . 1 . . . . . 107 ILE N . 52152 1 468 . 1 . 1 112 112 TYR H H 1 9.143117418 0.003706467122 . 1 . . . . . 108 TYR H . 52152 1 469 . 1 . 1 112 112 TYR C C 13 175.1333728 0 . 1 . . . . . 108 TYR C . 52152 1 470 . 1 . 1 112 112 TYR CA C 13 54.59928707 0.1096360993 . 1 . . . . . 108 TYR CA . 52152 1 471 . 1 . 1 112 112 TYR CB C 13 43.35243528 0 . 1 . . . . . 108 TYR CB . 52152 1 472 . 1 . 1 112 112 TYR N N 15 122.8485291 0.05367563223 . 1 . . . . . 108 TYR N . 52152 1 473 . 1 . 1 113 113 THR H H 1 8.307170243 0.00188052276 . 1 . . . . . 109 THR H . 52152 1 474 . 1 . 1 113 113 THR C C 13 174.3333944 0 . 1 . . . . . 109 THR C . 52152 1 475 . 1 . 1 113 113 THR CA C 13 59.77793644 0.1242386284 . 1 . . . . . 109 THR CA . 52152 1 476 . 1 . 1 113 113 THR CB C 13 71.66287094 0 . 1 . . . . . 109 THR CB . 52152 1 477 . 1 . 1 113 113 THR N N 15 108.626248 0.06864658661 . 1 . . . . . 109 THR N . 52152 1 478 . 1 . 1 114 114 THR H H 1 8.774751228 0.001876139969 . 1 . . . . . 110 THR H . 52152 1 479 . 1 . 1 114 114 THR C C 13 173.0827501 0 . 1 . . . . . 110 THR C . 52152 1 480 . 1 . 1 114 114 THR CA C 13 61.5204493 0.0894309842 . 1 . . . . . 110 THR CA . 52152 1 481 . 1 . 1 114 114 THR CB C 13 72.6257549 0 . 1 . . . . . 110 THR CB . 52152 1 482 . 1 . 1 114 114 THR N N 15 114.601894 0.09076817356 . 1 . . . . . 110 THR N . 52152 1 483 . 1 . 1 115 115 THR H H 1 8.480709681 0.001699911587 . 1 . . . . . 111 THR H . 52152 1 484 . 1 . 1 115 115 THR C C 13 172.5779278 0 . 1 . . . . . 111 THR C . 52152 1 485 . 1 . 1 115 115 THR CA C 13 62.4582561 0 . 1 . . . . . 111 THR CA . 52152 1 486 . 1 . 1 115 115 THR CB C 13 70.8634513 0 . 1 . . . . . 111 THR CB . 52152 1 487 . 1 . 1 115 115 THR N N 15 117.2806945 0.07066558548 . 1 . . . . . 111 THR N . 52152 1 488 . 1 . 1 116 116 ARG H H 1 8.272330335 0.001907186427 . 1 . . . . . 112 ARG H . 52152 1 489 . 1 . 1 116 116 ARG C C 13 172.8991249 0 . 1 . . . . . 112 ARG C . 52152 1 490 . 1 . 1 116 116 ARG CA C 13 53.36161156 0.0851791443 . 1 . . . . . 112 ARG CA . 52152 1 491 . 1 . 1 116 116 ARG CB C 13 30.56551263 0 . 1 . . . . . 112 ARG CB . 52152 1 492 . 1 . 1 116 116 ARG N N 15 125.5128556 0.07605047304 . 1 . . . . . 112 ARG N . 52152 1 493 . 1 . 1 117 117 TYR H H 1 8.145150649 0.002489415629 . 1 . . . . . 113 TYR H . 52152 1 494 . 1 . 1 117 117 TYR C C 13 175.1726116 0 . 1 . . . . . 113 TYR C . 52152 1 495 . 1 . 1 117 117 TYR CA C 13 56.53584248 0.05383338654 . 1 . . . . . 113 TYR CA . 52152 1 496 . 1 . 1 117 117 TYR CB C 13 40.42218044 0 . 1 . . . . . 113 TYR CB . 52152 1 497 . 1 . 1 117 117 TYR N N 15 119.1487682 0.08251308048 . 1 . . . . . 113 TYR N . 52152 1 498 . 1 . 1 118 118 ASN H H 1 7.974332153 0.002435637512 . 1 . . . . . 114 ASN H . 52152 1 499 . 1 . 1 118 118 ASN C C 13 173.1754394 0 . 1 . . . . . 114 ASN C . 52152 1 500 . 1 . 1 118 118 ASN CA C 13 53.93743988 0.1105089328 . 1 . . . . . 114 ASN CA . 52152 1 501 . 1 . 1 118 118 ASN CB C 13 37.20708895 0 . 1 . . . . . 114 ASN CB . 52152 1 502 . 1 . 1 118 118 ASN N N 15 121.0946915 0.09815588888 . 1 . . . . . 114 ASN N . 52152 1 503 . 1 . 1 119 119 ALA H H 1 9.281362471 0.001081647425 . 1 . . . . . 115 ALA H . 52152 1 504 . 1 . 1 119 119 ALA C C 13 174.578277 0 . 1 . . . . . 115 ALA C . 52152 1 505 . 1 . 1 119 119 ALA CA C 13 49.91398697 0.1424801249 . 1 . . . . . 115 ALA CA . 52152 1 506 . 1 . 1 119 119 ALA CB C 13 21.82379811 0 . 1 . . . . . 115 ALA CB . 52152 1 507 . 1 . 1 119 119 ALA N N 15 122.7627617 0.06534711855 . 1 . . . . . 115 ALA N . 52152 1 508 . 1 . 1 121 121 SER H H 1 8.609893618 0.003331907243 . 1 . . . . . 117 SER H . 52152 1 509 . 1 . 1 121 121 SER C C 13 176.049472 0 . 1 . . . . . 117 SER C . 52152 1 510 . 1 . 1 121 121 SER CA C 13 56.1739483 0.05959323419 . 1 . . . . . 117 SER CA . 52152 1 511 . 1 . 1 121 121 SER CB C 13 67.78903528 0 . 1 . . . . . 117 SER CB . 52152 1 512 . 1 . 1 121 121 SER N N 15 115.5836936 0.07331319731 . 1 . . . . . 117 SER N . 52152 1 513 . 1 . 1 123 123 ASP H H 1 7.233224918 0.002332385602 . 1 . . . . . 119 ASP H . 52152 1 514 . 1 . 1 123 123 ASP C C 13 175.8336421 0 . 1 . . . . . 119 ASP C . 52152 1 515 . 1 . 1 123 123 ASP CA C 13 54.00087616 0.153314556 . 1 . . . . . 119 ASP CA . 52152 1 516 . 1 . 1 123 123 ASP CB C 13 41.75491793 0 . 1 . . . . . 119 ASP CB . 52152 1 517 . 1 . 1 123 123 ASP N N 15 119.5798785 0.07649773619 . 1 . . . . . 119 ASP N . 52152 1 518 . 1 . 1 124 124 GLY H H 1 7.168377695 0.002276670666 . 1 . . . . . 120 GLY H . 52152 1 519 . 1 . 1 124 124 GLY C C 13 172.1081149 0 . 1 . . . . . 120 GLY C . 52152 1 520 . 1 . 1 124 124 GLY CA C 13 44.99704576 0.09627712475 . 1 . . . . . 120 GLY CA . 52152 1 521 . 1 . 1 124 124 GLY N N 15 108.5022447 0.08222357233 . 1 . . . . . 120 GLY N . 52152 1 522 . 1 . 1 125 125 ASP H H 1 8.081469914 0.001617076161 . 1 . . . . . 121 ASP H . 52152 1 523 . 1 . 1 125 125 ASP C C 13 175.4852825 0 . 1 . . . . . 121 ASP C . 52152 1 524 . 1 . 1 125 125 ASP CB C 13 41.12494927 0 . 1 . . . . . 121 ASP CB . 52152 1 525 . 1 . 1 125 125 ASP N N 15 118.0002143 0.0702141774 . 1 . . . . . 121 ASP N . 52152 1 526 . 1 . 1 126 126 ARG H H 1 8.250814742 0.001584447961 . 1 . . . . . 122 ARG H . 52152 1 527 . 1 . 1 126 126 ARG C C 13 174.6504807 0 . 1 . . . . . 122 ARG C . 52152 1 528 . 1 . 1 126 126 ARG CA C 13 55.19929456 0.1153247241 . 1 . . . . . 122 ARG CA . 52152 1 529 . 1 . 1 126 126 ARG CB C 13 30.30575701 0 . 1 . . . . . 122 ARG CB . 52152 1 530 . 1 . 1 126 126 ARG N N 15 120.6080048 0.06226564056 . 1 . . . . . 122 ARG N . 52152 1 531 . 1 . 1 127 127 THR H H 1 8.998484648 0.002290296015 . 1 . . . . . 123 THR H . 52152 1 532 . 1 . 1 127 127 THR C C 13 172.3568446 0 . 1 . . . . . 123 THR C . 52152 1 533 . 1 . 1 127 127 THR CA C 13 60.28313852 0.05453328316 . 1 . . . . . 123 THR CA . 52152 1 534 . 1 . 1 127 127 THR CB C 13 72.2088118 0.00000095 . 1 . . . . . 123 THR CB . 52152 1 535 . 1 . 1 127 127 THR N N 15 116.995179 0.07953302169 . 1 . . . . . 123 THR N . 52152 1 536 . 1 . 1 128 128 THR H H 1 8.272114096 0.002018529768 . 1 . . . . . 124 THR H . 52152 1 537 . 1 . 1 128 128 THR C C 13 173.4528438 0 . 1 . . . . . 124 THR C . 52152 1 538 . 1 . 1 128 128 THR CA C 13 60.58386297 0.05409118967 . 1 . . . . . 124 THR CA . 52152 1 539 . 1 . 1 128 128 THR CB C 13 71.35120708 0 . 1 . . . . . 124 THR CB . 52152 1 540 . 1 . 1 128 128 THR N N 15 118.3400059 0.08409685185 . 1 . . . . . 124 THR N . 52152 1 541 . 1 . 1 129 129 PHE H H 1 8.116118104 0.003086294157 . 1 . . . . . 125 PHE H . 52152 1 542 . 1 . 1 129 129 PHE C C 13 172.2632224 0 . 1 . . . . . 125 PHE C . 52152 1 543 . 1 . 1 129 129 PHE CA C 13 55.85933566 0.1290337568 . 1 . . . . . 125 PHE CA . 52152 1 544 . 1 . 1 129 129 PHE CB C 13 39.59265776 0 . 1 . . . . . 125 PHE CB . 52152 1 545 . 1 . 1 129 129 PHE N N 15 122.2589069 0.07808398863 . 1 . . . . . 125 PHE N . 52152 1 546 . 1 . 1 130 130 THR H H 1 7.448167892 0.003041954966 . 1 . . . . . 126 THR H . 52152 1 547 . 1 . 1 130 130 THR C C 13 171.3859506 0 . 1 . . . . . 126 THR C . 52152 1 548 . 1 . 1 130 130 THR CA C 13 62.18861598 0.1422908549 . 1 . . . . . 126 THR CA . 52152 1 549 . 1 . 1 130 130 THR CB C 13 70.174517 0 . 1 . . . . . 126 THR CB . 52152 1 550 . 1 . 1 130 130 THR N N 15 116.761774 0.06551701443 . 1 . . . . . 126 THR N . 52152 1 551 . 1 . 1 131 131 GLN H H 1 8.926440008 0.002373858664 . 1 . . . . . 127 GLN H . 52152 1 552 . 1 . 1 131 131 GLN C C 13 175.4260371 0 . 1 . . . . . 127 GLN C . 52152 1 553 . 1 . 1 131 131 GLN CA C 13 53.01330783 0.05914825002 . 1 . . . . . 127 GLN CA . 52152 1 554 . 1 . 1 131 131 GLN N N 15 121.5870281 0.06370390016 . 1 . . . . . 127 GLN N . 52152 1 555 . 1 . 1 132 132 TYR H H 1 8.003121316 0.002543129823 . 1 . . . . . 128 TYR H . 52152 1 556 . 1 . 1 132 132 TYR C C 13 173.5440969 0 . 1 . . . . . 128 TYR C . 52152 1 557 . 1 . 1 132 132 TYR CA C 13 51.95438002 0 . 1 . . . . . 128 TYR CA . 52152 1 558 . 1 . 1 132 132 TYR CB C 13 37.45311573 0.0000004768 . 1 . . . . . 128 TYR CB . 52152 1 559 . 1 . 1 132 132 TYR N N 15 121.9920344 0.009172384742 . 1 . . . . . 128 TYR N . 52152 1 560 . 1 . 1 133 133 TRP H H 1 8.589729005 0.001685706765 . 1 . . . . . 129 TRP H . 52152 1 561 . 1 . 1 133 133 TRP C C 13 177.0318673 0 . 1 . . . . . 129 TRP C . 52152 1 562 . 1 . 1 133 133 TRP CA C 13 55.81660148 0.2116645012 . 1 . . . . . 129 TRP CA . 52152 1 563 . 1 . 1 133 133 TRP CB C 13 32.25197472 0 . 1 . . . . . 129 TRP CB . 52152 1 564 . 1 . 1 133 133 TRP N N 15 117.8253555 0.08118621082 . 1 . . . . . 129 TRP N . 52152 1 565 . 1 . 1 134 134 SER H H 1 9.061735236 0.00244498352 . 1 . . . . . 130 SER H . 52152 1 566 . 1 . 1 134 134 SER C C 13 177.1005835 0 . 1 . . . . . 130 SER C . 52152 1 567 . 1 . 1 134 134 SER CA C 13 58.31625966 0 . 1 . . . . . 130 SER CA . 52152 1 568 . 1 . 1 134 134 SER CB C 13 66.15991209 0 . 1 . . . . . 130 SER CB . 52152 1 569 . 1 . 1 134 134 SER N N 15 120.0610981 0.07213313193 . 1 . . . . . 130 SER N . 52152 1 570 . 1 . 1 135 135 VAL H H 1 10.23957411 0.001957254285 . 1 . . . . . 131 VAL H . 52152 1 571 . 1 . 1 135 135 VAL C C 13 175.6384605 0 . 1 . . . . . 131 VAL C . 52152 1 572 . 1 . 1 135 135 VAL CA C 13 61.35367933 0.05842053497 . 1 . . . . . 131 VAL CA . 52152 1 573 . 1 . 1 135 135 VAL CB C 13 35.05499339 0 . 1 . . . . . 131 VAL CB . 52152 1 574 . 1 . 1 135 135 VAL N N 15 124.4028231 0.0762122714 . 1 . . . . . 131 VAL N . 52152 1 575 . 1 . 1 136 136 ARG H H 1 8.985281068 0.003822507306 . 1 . . . . . 132 ARG H . 52152 1 576 . 1 . 1 136 136 ARG C C 13 177.3741884 0 . 1 . . . . . 132 ARG C . 52152 1 577 . 1 . 1 136 136 ARG CA C 13 58.98309733 0 . 1 . . . . . 132 ARG CA . 52152 1 578 . 1 . 1 136 136 ARG N N 15 136.2906705 0.09801790709 . 1 . . . . . 132 ARG N . 52152 1 579 . 1 . 1 137 137 GLN H H 1 8.983813152 0.002449566096 . 1 . . . . . 133 GLN H . 52152 1 580 . 1 . 1 137 137 GLN C C 13 176.0851727 0 . 1 . . . . . 133 GLN C . 52152 1 581 . 1 . 1 137 137 GLN CA C 13 59.53215008 0.3936337108 . 1 . . . . . 133 GLN CA . 52152 1 582 . 1 . 1 137 137 GLN N N 15 122.1260714 0.08268752178 . 1 . . . . . 133 GLN N . 52152 1 583 . 1 . 1 138 138 SER H H 1 7.628285767 0.001767582527 . 1 . . . . . 134 SER H . 52152 1 584 . 1 . 1 138 138 SER C C 13 173.9087156 0 . 1 . . . . . 134 SER C . 52152 1 585 . 1 . 1 138 138 SER CA C 13 56.19970158 0.1381122338 . 1 . . . . . 134 SER CA . 52152 1 586 . 1 . 1 138 138 SER CB C 13 65.36951152 0 . 1 . . . . . 134 SER CB . 52152 1 587 . 1 . 1 138 138 SER N N 15 109.9068606 0.06627487112 . 1 . . . . . 134 SER N . 52152 1 588 . 1 . 1 139 139 LYS H H 1 8.668038967 0.00173906023 . 1 . . . . . 135 LYS H . 52152 1 589 . 1 . 1 139 139 LYS C C 13 176.6214408 0 . 1 . . . . . 135 LYS C . 52152 1 590 . 1 . 1 139 139 LYS CA C 13 58.5206818 0.07964206721 . 1 . . . . . 135 LYS CA . 52152 1 591 . 1 . 1 139 139 LYS CB C 13 32.11458287 0 . 1 . . . . . 135 LYS CB . 52152 1 592 . 1 . 1 139 139 LYS N N 15 124.9138682 0.1003459069 . 1 . . . . . 135 LYS N . 52152 1 593 . 1 . 1 140 140 ARG H H 1 8.985462427 0.001858113311 . 1 . . . . . 136 ARG H . 52152 1 594 . 1 . 1 140 140 ARG C C 13 173.4657762 0 . 1 . . . . . 136 ARG C . 52152 1 595 . 1 . 1 140 140 ARG CA C 13 55.21984661 0 . 1 . . . . . 136 ARG CA . 52152 1 596 . 1 . 1 140 140 ARG CB C 13 32.70993562 0 . 1 . . . . . 136 ARG CB . 52152 1 597 . 1 . 1 140 140 ARG N N 15 127.0210917 0.05927308909 . 1 . . . . . 136 ARG N . 52152 1 598 . 1 . 1 142 142 THR H H 1 8.513009055 0.002130610017 . 1 . . . . . 138 THR H . 52152 1 599 . 1 . 1 142 142 THR C C 13 174.7662091 0 . 1 . . . . . 138 THR C . 52152 1 600 . 1 . 1 142 142 THR CA C 13 60.49364544 0.05096054416 . 1 . . . . . 138 THR CA . 52152 1 601 . 1 . 1 142 142 THR CB C 13 70.05518229 0 . 1 . . . . . 138 THR CB . 52152 1 602 . 1 . 1 142 142 THR N N 15 114.2610198 0.08208993833 . 1 . . . . . 138 THR N . 52152 1 603 . 1 . 1 143 143 GLY H H 1 9.068665495 0.002217434208 . 1 . . . . . 139 GLY H . 52152 1 604 . 1 . 1 143 143 GLY CA C 13 45.56750063 0.127990196 . 1 . . . . . 139 GLY CA . 52152 1 605 . 1 . 1 143 143 GLY N N 15 113.5968452 0.05758176411 . 1 . . . . . 139 GLY N . 52152 1 606 . 1 . 1 144 144 SER H H 1 7.469293526 0.002170035532 . 1 . . . . . 140 SER H . 52152 1 607 . 1 . 1 144 144 SER C C 13 173.1121633 0 . 1 . . . . . 140 SER C . 52152 1 608 . 1 . 1 144 144 SER CA C 13 56.19980049 0.1007727144 . 1 . . . . . 140 SER CA . 52152 1 609 . 1 . 1 144 144 SER CB C 13 64.95634008 0 . 1 . . . . . 140 SER CB . 52152 1 610 . 1 . 1 144 144 SER N N 15 113.3729176 0.05661497238 . 1 . . . . . 140 SER N . 52152 1 611 . 1 . 1 145 145 ASN H H 1 8.716369581 0.002160426231 . 1 . . . . . 141 ASN H . 52152 1 612 . 1 . 1 145 145 ASN C C 13 174.2786687 0 . 1 . . . . . 141 ASN C . 52152 1 613 . 1 . 1 145 145 ASN CA C 13 54.50658419 0 . 1 . . . . . 141 ASN CA . 52152 1 614 . 1 . 1 145 145 ASN CB C 13 36.68895325 0 . 1 . . . . . 141 ASN CB . 52152 1 615 . 1 . 1 145 145 ASN N N 15 121.9165496 0.09809234742 . 1 . . . . . 141 ASN N . 52152 1 616 . 1 . 1 146 146 ALA H H 1 9.378113792 0.004277252139 . 1 . . . . . 142 ALA H . 52152 1 617 . 1 . 1 146 146 ALA C C 13 175.7005925 0 . 1 . . . . . 142 ALA C . 52152 1 618 . 1 . 1 146 146 ALA CA C 13 51.11286242 0.08134679051 . 1 . . . . . 142 ALA CA . 52152 1 619 . 1 . 1 146 146 ALA CB C 13 20.88549275 0 . 1 . . . . . 142 ALA CB . 52152 1 620 . 1 . 1 146 146 ALA N N 15 129.9756888 0.05826179844 . 1 . . . . . 142 ALA N . 52152 1 621 . 1 . 1 147 147 THR H H 1 7.272742467 0.001629407642 . 1 . . . . . 143 THR H . 52152 1 622 . 1 . 1 147 147 THR C C 13 175.6131798 0 . 1 . . . . . 143 THR C . 52152 1 623 . 1 . 1 147 147 THR CA C 13 60.55346791 0.09857923379 . 1 . . . . . 143 THR CA . 52152 1 624 . 1 . 1 147 147 THR CB C 13 72.04394701 0.00000095 . 1 . . . . . 143 THR CB . 52152 1 625 . 1 . 1 147 147 THR N N 15 111.0711179 0.02093288947 . 1 . . . . . 143 THR N . 52152 1 626 . 1 . 1 148 148 ILE H H 1 9.444700042 0.003430825619 . 1 . . . . . 144 ILE H . 52152 1 627 . 1 . 1 148 148 ILE C C 13 175.2351481 0 . 1 . . . . . 144 ILE C . 52152 1 628 . 1 . 1 148 148 ILE CA C 13 61.10235035 0.2534319381 . 1 . . . . . 144 ILE CA . 52152 1 629 . 1 . 1 148 148 ILE CB C 13 40.86666743 0 . 1 . . . . . 144 ILE CB . 52152 1 630 . 1 . 1 148 148 ILE N N 15 124.480449 0.04627516622 . 1 . . . . . 144 ILE N . 52152 1 631 . 1 . 1 149 149 THR H H 1 10.57634412 0.001182813181 . 1 . . . . . 145 THR H . 52152 1 632 . 1 . 1 149 149 THR CA C 13 61.59199877 0 . 1 . . . . . 145 THR CA . 52152 1 633 . 1 . 1 149 149 THR N N 15 131.2878913 0.0534222148 . 1 . . . . . 145 THR N . 52152 1 634 . 1 . 1 150 150 PHE H H 1 7.546048777 0.002065240811 . 1 . . . . . 146 PHE H . 52152 1 635 . 1 . 1 150 150 PHE CA C 13 59.8896007 0.120278302 . 1 . . . . . 146 PHE CA . 52152 1 636 . 1 . 1 150 150 PHE CB C 13 39.149656 0 . 1 . . . . . 146 PHE CB . 52152 1 637 . 1 . 1 150 150 PHE N N 15 128.135823 0.08939931651 . 1 . . . . . 146 PHE N . 52152 1 638 . 1 . 1 151 151 SER H H 1 8.935794094 0.003057378616 . 1 . . . . . 147 SER H . 52152 1 639 . 1 . 1 151 151 SER CA C 13 61.1929934 0.2315759599 . 1 . . . . . 147 SER CA . 52152 1 640 . 1 . 1 151 151 SER CB C 13 62.02953968 0 . 1 . . . . . 147 SER CB . 52152 1 641 . 1 . 1 151 151 SER N N 15 114.4436537 0.05110542007 . 1 . . . . . 147 SER N . 52152 1 642 . 1 . 1 152 152 ASN H H 1 7.200937985 0.003285139352 . 1 . . . . . 148 ASN H . 52152 1 643 . 1 . 1 152 152 ASN C C 13 178.6586575 0.0000019 . 1 . . . . . 148 ASN C . 52152 1 644 . 1 . 1 152 152 ASN CA C 13 55.04961431 0.05376682819 . 1 . . . . . 148 ASN CA . 52152 1 645 . 1 . 1 152 152 ASN CB C 13 36.00225886 0 . 1 . . . . . 148 ASN CB . 52152 1 646 . 1 . 1 152 152 ASN N N 15 118.1734139 0.01919216669 . 1 . . . . . 148 ASN N . 52152 1 647 . 1 . 1 153 153 HIS H H 1 6.651413555 0.001438453527 . 1 . . . . . 149 HIS H . 52152 1 648 . 1 . 1 153 153 HIS C C 13 174.2864631 0 . 1 . . . . . 149 HIS C . 52152 1 649 . 1 . 1 153 153 HIS CA C 13 59.27227735 0 . 1 . . . . . 149 HIS CA . 52152 1 650 . 1 . 1 153 153 HIS CB C 13 29.66481094 0 . 1 . . . . . 149 HIS CB . 52152 1 651 . 1 . 1 153 153 HIS N N 15 122.1279061 0.06841636317 . 1 . . . . . 149 HIS N . 52152 1 652 . 1 . 1 154 154 VAL H H 1 7.145370249 0.002247173742 . 1 . . . . . 150 VAL H . 52152 1 653 . 1 . 1 154 154 VAL C C 13 179.5076686 0 . 1 . . . . . 150 VAL C . 52152 1 654 . 1 . 1 154 154 VAL CA C 13 66.437744 0.08685260275 . 1 . . . . . 150 VAL CA . 52152 1 655 . 1 . 1 154 154 VAL CB C 13 31.38121305 0 . 1 . . . . . 150 VAL CB . 52152 1 656 . 1 . 1 154 154 VAL N N 15 117.3531665 0.06632012135 . 1 . . . . . 150 VAL N . 52152 1 657 . 1 . 1 155 155 ASN H H 1 7.95150166 0.002299421741 . 1 . . . . . 151 ASN H . 52152 1 658 . 1 . 1 155 155 ASN C C 13 177.4560006 0 . 1 . . . . . 151 ASN C . 52152 1 659 . 1 . 1 155 155 ASN CA C 13 55.95319747 0.06636247541 . 1 . . . . . 151 ASN CA . 52152 1 660 . 1 . 1 155 155 ASN CB C 13 37.52514366 0 . 1 . . . . . 151 ASN CB . 52152 1 661 . 1 . 1 155 155 ASN N N 15 116.4094327 0.06663489081 . 1 . . . . . 151 ASN N . 52152 1 662 . 1 . 1 156 156 ALA H H 1 7.302959953 0.002009382822 . 1 . . . . . 152 ALA H . 52152 1 663 . 1 . 1 156 156 ALA C C 13 180.9147309 0 . 1 . . . . . 152 ALA C . 52152 1 664 . 1 . 1 156 156 ALA CA C 13 54.8926691 0.05730105545 . 1 . . . . . 152 ALA CA . 52152 1 665 . 1 . 1 156 156 ALA CB C 13 18.29584141 0 . 1 . . . . . 152 ALA CB . 52152 1 666 . 1 . 1 156 156 ALA N N 15 124.9944086 0.06182774751 . 1 . . . . . 152 ALA N . 52152 1 667 . 1 . 1 157 157 TRP H H 1 9.211399623 0.001674410859 . 1 . . . . . 153 TRP H . 52152 1 668 . 1 . 1 157 157 TRP C C 13 179.5249117 0 . 1 . . . . . 153 TRP C . 52152 1 669 . 1 . 1 157 157 TRP CA C 13 58.47677087 0.0736072261 . 1 . . . . . 153 TRP CA . 52152 1 670 . 1 . 1 157 157 TRP CB C 13 27.23853906 0 . 1 . . . . . 153 TRP CB . 52152 1 671 . 1 . 1 157 157 TRP N N 15 122.2745116 0.06362573391 . 1 . . . . . 153 TRP N . 52152 1 672 . 1 . 1 158 158 LYS H H 1 8.281795739 0.002291870311 . 1 . . . . . 154 LYS H . 52152 1 673 . 1 . 1 158 158 LYS C C 13 180.0264994 0 . 1 . . . . . 154 LYS C . 52152 1 674 . 1 . 1 158 158 LYS CA C 13 60.47965159 0.09484821706 . 1 . . . . . 154 LYS CA . 52152 1 675 . 1 . 1 158 158 LYS CB C 13 32.12414457 0 . 1 . . . . . 154 LYS CB . 52152 1 676 . 1 . 1 158 158 LYS N N 15 121.9051989 0.05994513601 . 1 . . . . . 154 LYS N . 52152 1 677 . 1 . 1 159 159 SER H H 1 7.715824195 0.001901297982 . 1 . . . . . 155 SER H . 52152 1 678 . 1 . 1 159 159 SER C C 13 180.0397454 0 . 1 . . . . . 155 SER C . 52152 1 679 . 1 . 1 159 159 SER CA C 13 60.89872282 0.1799345363 . 1 . . . . . 155 SER CA . 52152 1 680 . 1 . 1 159 159 SER CB C 13 62.44898138 0 . 1 . . . . . 155 SER CB . 52152 1 681 . 1 . 1 159 159 SER N N 15 116.39612 0.05849276162 . 1 . . . . . 155 SER N . 52152 1 682 . 1 . 1 160 160 HIS H H 1 7.47130402 0.003960557881 . 1 . . . . . 156 HIS H . 52152 1 683 . 1 . 1 160 160 HIS CA C 13 55.35222564 0.1631955277 . 1 . . . . . 156 HIS CA . 52152 1 684 . 1 . 1 160 160 HIS CB C 13 28.7660073 0 . 1 . . . . . 156 HIS CB . 52152 1 685 . 1 . 1 160 160 HIS N N 15 118.4213916 0.05887001428 . 1 . . . . . 156 HIS N . 52152 1 686 . 1 . 1 161 161 GLY H H 1 7.799491044 0.002278907699 . 1 . . . . . 157 GLY H . 52152 1 687 . 1 . 1 161 161 GLY C C 13 173.581937 0 . 1 . . . . . 157 GLY C . 52152 1 688 . 1 . 1 161 161 GLY CA C 13 46.02781787 0.1220598807 . 1 . . . . . 157 GLY CA . 52152 1 689 . 1 . 1 161 161 GLY N N 15 107.6845937 0.07910045771 . 1 . . . . . 157 GLY N . 52152 1 690 . 1 . 1 162 162 MET H H 1 7.750916731 0.001927880999 . 1 . . . . . 158 MET H . 52152 1 691 . 1 . 1 162 162 MET CA C 13 53.90371719 0.1607893594 . 1 . . . . . 158 MET CA . 52152 1 692 . 1 . 1 162 162 MET CB C 13 32.68802992 0 . 1 . . . . . 158 MET CB . 52152 1 693 . 1 . 1 162 162 MET N N 15 121.7627938 0.08252413886 . 1 . . . . . 158 MET N . 52152 1 694 . 1 . 1 163 163 ASN H H 1 8.046373322 0.002439688083 . 1 . . . . . 159 ASN H . 52152 1 695 . 1 . 1 163 163 ASN C C 13 176.5104044 0 . 1 . . . . . 159 ASN C . 52152 1 696 . 1 . 1 163 163 ASN CA C 13 52.92593691 0 . 1 . . . . . 159 ASN CA . 52152 1 697 . 1 . 1 163 163 ASN CB C 13 39.54803355 0 . 1 . . . . . 159 ASN CB . 52152 1 698 . 1 . 1 163 163 ASN N N 15 119.7712432 0.04408812336 . 1 . . . . . 159 ASN N . 52152 1 699 . 1 . 1 164 164 LEU H H 1 9.172153665 0 . 1 . . . . . 160 LEU H . 52152 1 700 . 1 . 1 164 164 LEU C C 13 176.0832401 0 . 1 . . . . . 160 LEU C . 52152 1 701 . 1 . 1 164 164 LEU CA C 13 54.37051957 0.0370935354 . 1 . . . . . 160 LEU CA . 52152 1 702 . 1 . 1 164 164 LEU CB C 13 42.95957071 0 . 1 . . . . . 160 LEU CB . 52152 1 703 . 1 . 1 164 164 LEU N N 15 128.7851659 0 . 1 . . . . . 160 LEU N . 52152 1 704 . 1 . 1 165 165 GLY H H 1 7.055038533 0.002199810447 . 1 . . . . . 161 GLY H . 52152 1 705 . 1 . 1 165 165 GLY CA C 13 45.13043989 0.1783212512 . 1 . . . . . 161 GLY CA . 52152 1 706 . 1 . 1 165 165 GLY N N 15 105.7394504 0.07492023919 . 1 . . . . . 161 GLY N . 52152 1 707 . 1 . 1 166 166 SER H H 1 7.415735075 0.001341343789 . 1 . . . . . 162 SER H . 52152 1 708 . 1 . 1 166 166 SER C C 13 174.5375086 0 . 1 . . . . . 162 SER C . 52152 1 709 . 1 . 1 166 166 SER CA C 13 58.67162109 0.07258565222 . 1 . . . . . 162 SER CA . 52152 1 710 . 1 . 1 166 166 SER CB C 13 64.16829309 0 . 1 . . . . . 162 SER CB . 52152 1 711 . 1 . 1 166 166 SER N N 15 109.2566838 0.06479809675 . 1 . . . . . 162 SER N . 52152 1 712 . 1 . 1 167 167 ASN H H 1 7.698686909 0.001881906386 . 1 . . . . . 163 ASN H . 52152 1 713 . 1 . 1 167 167 ASN C C 13 174.130456 0 . 1 . . . . . 163 ASN C . 52152 1 714 . 1 . 1 167 167 ASN CA C 13 51.5927925 0.1335842459 . 1 . . . . . 163 ASN CA . 52152 1 715 . 1 . 1 167 167 ASN CB C 13 39.9045092 0 . 1 . . . . . 163 ASN CB . 52152 1 716 . 1 . 1 167 167 ASN N N 15 121.2412783 0.07686216693 . 1 . . . . . 163 ASN N . 52152 1 717 . 1 . 1 168 168 TRP H H 1 9.050368052 0.005150628863 . 1 . . . . . 164 TRP H . 52152 1 718 . 1 . 1 168 168 TRP C C 13 175.1892186 0 . 1 . . . . . 164 TRP C . 52152 1 719 . 1 . 1 168 168 TRP CA C 13 59.92557824 0 . 1 . . . . . 164 TRP CA . 52152 1 720 . 1 . 1 168 168 TRP CB C 13 29.5157225 0.1841118317 . 1 . . . . . 164 TRP CB . 52152 1 721 . 1 . 1 168 168 TRP N N 15 127.9790456 0.05291468293 . 1 . . . . . 164 TRP N . 52152 1 722 . 1 . 1 169 169 ALA H H 1 7.31701221 0.001497491829 . 1 . . . . . 165 ALA H . 52152 1 723 . 1 . 1 169 169 ALA C C 13 175.1262732 0 . 1 . . . . . 165 ALA C . 52152 1 724 . 1 . 1 169 169 ALA CA C 13 49.80767038 0.07298322142 . 1 . . . . . 165 ALA CA . 52152 1 725 . 1 . 1 169 169 ALA CB C 13 18.13313919 0 . 1 . . . . . 165 ALA CB . 52152 1 726 . 1 . 1 169 169 ALA N N 15 126.9069898 0.0299078691 . 1 . . . . . 165 ALA N . 52152 1 727 . 1 . 1 170 170 TYR H H 1 6.092381717 0.002087928483 . 1 . . . . . 166 TYR H . 52152 1 728 . 1 . 1 170 170 TYR C C 13 175.2914136 0 . 1 . . . . . 166 TYR C . 52152 1 729 . 1 . 1 170 170 TYR CA C 13 57.65521535 0.002433195968 . 1 . . . . . 166 TYR CA . 52152 1 730 . 1 . 1 170 170 TYR CB C 13 38.0224053 0 . 1 . . . . . 166 TYR CB . 52152 1 731 . 1 . 1 170 170 TYR N N 15 115.69223 0.06044647985 . 1 . . . . . 166 TYR N . 52152 1 732 . 1 . 1 171 171 GLN H H 1 8.516753735 0.00359537836 . 1 . . . . . 167 GLN H . 52152 1 733 . 1 . 1 171 171 GLN C C 13 174.2101403 0 . 1 . . . . . 167 GLN C . 52152 1 734 . 1 . 1 171 171 GLN CA C 13 54.89808066 0 . 1 . . . . . 167 GLN CA . 52152 1 735 . 1 . 1 171 171 GLN CB C 13 34.57449708 0 . 1 . . . . . 167 GLN CB . 52152 1 736 . 1 . 1 171 171 GLN N N 15 122.8259569 0.0924025633 . 1 . . . . . 167 GLN N . 52152 1 737 . 1 . 1 172 172 VAL H H 1 9.98808317 0.001919190923 . 1 . . . . . 168 VAL H . 52152 1 738 . 1 . 1 172 172 VAL C C 13 173.1178153 0.07902057971 . 1 . . . . . 168 VAL C . 52152 1 739 . 1 . 1 172 172 VAL CA C 13 59.02839041 0.0919204804 . 1 . . . . . 168 VAL CA . 52152 1 740 . 1 . 1 172 172 VAL CB C 13 36.6577404 0.1428540778 . 1 . . . . . 168 VAL CB . 52152 1 741 . 1 . 1 172 172 VAL N N 15 119.7588915 0.06327470923 . 1 . . . . . 168 VAL N . 52152 1 742 . 1 . 1 173 173 MET H H 1 8.503868986 0.005429330567 . 1 . . . . . 169 MET H . 52152 1 743 . 1 . 1 173 173 MET C C 13 175.3952953 0 . 1 . . . . . 169 MET C . 52152 1 744 . 1 . 1 173 173 MET CA C 13 54.74910513 0.02467908338 . 1 . . . . . 169 MET CA . 52152 1 745 . 1 . 1 173 173 MET CB C 13 32.12016983 0 . 1 . . . . . 169 MET CB . 52152 1 746 . 1 . 1 173 173 MET N N 15 122.7892776 0.094241298 . 1 . . . . . 169 MET N . 52152 1 747 . 1 . 1 174 174 ALA H H 1 9.787322904 0.001645223899 . 1 . . . . . 170 ALA H . 52152 1 748 . 1 . 1 174 174 ALA C C 13 176.012892 0 . 1 . . . . . 170 ALA C . 52152 1 749 . 1 . 1 174 174 ALA CA C 13 52.10941562 0 . 1 . . . . . 170 ALA CA . 52152 1 750 . 1 . 1 174 174 ALA CB C 13 23.32539037 0 . 1 . . . . . 170 ALA CB . 52152 1 751 . 1 . 1 174 174 ALA N N 15 134.3940125 0.07961562224 . 1 . . . . . 170 ALA N . 52152 1 752 . 1 . 1 175 175 THR H H 1 9.096619498 0.00282014826 . 1 . . . . . 171 THR H . 52152 1 753 . 1 . 1 175 175 THR C C 13 175.9941438 0 . 1 . . . . . 171 THR C . 52152 1 754 . 1 . 1 175 175 THR CA C 13 62.47588017 0.1190702045 . 1 . . . . . 171 THR CA . 52152 1 755 . 1 . 1 175 175 THR CB C 13 71.78050188 0 . 1 . . . . . 171 THR CB . 52152 1 756 . 1 . 1 175 175 THR N N 15 114.2304383 0.08652997363 . 1 . . . . . 171 THR N . 52152 1 757 . 1 . 1 176 176 GLU H H 1 8.638631788 0.002510497356 . 1 . . . . . 172 GLU H . 52152 1 758 . 1 . 1 176 176 GLU C C 13 173.7990846 0 . 1 . . . . . 172 GLU C . 52152 1 759 . 1 . 1 176 176 GLU CA C 13 52.49748818 0.1052690056 . 1 . . . . . 172 GLU CA . 52152 1 760 . 1 . 1 176 176 GLU CB C 13 31.53654926 0 . 1 . . . . . 172 GLU CB . 52152 1 761 . 1 . 1 176 176 GLU N N 15 126.012428 0.08886349471 . 1 . . . . . 172 GLU N . 52152 1 762 . 1 . 1 177 177 GLY H H 1 5.961046534 0.002760735624 . 1 . . . . . 173 GLY H . 52152 1 763 . 1 . 1 177 177 GLY CA C 13 44.40184571 0 . 1 . . . . . 173 GLY CA . 52152 1 764 . 1 . 1 177 177 GLY N N 15 108.8390283 0.0300080823 . 1 . . . . . 173 GLY N . 52152 1 765 . 1 . 1 178 178 TYR H H 1 6.994487809 0.001956387004 . 1 . . . . . 174 TYR H . 52152 1 766 . 1 . 1 178 178 TYR CA C 13 56.56213493 0 . 1 . . . . . 174 TYR CA . 52152 1 767 . 1 . 1 178 178 TYR CB C 13 40.29763726 0 . 1 . . . . . 174 TYR CB . 52152 1 768 . 1 . 1 178 178 TYR N N 15 117.2070658 0.04899640172 . 1 . . . . . 174 TYR N . 52152 1 769 . 1 . 1 179 179 GLN H H 1 7.576216703 0.004426884683 . 1 . . . . . 175 GLN H . 52152 1 770 . 1 . 1 179 179 GLN CA C 13 55.64189018 0 . 1 . . . . . 175 GLN CA . 52152 1 771 . 1 . 1 179 179 GLN N N 15 122.9104711 0.1181655992 . 1 . . . . . 175 GLN N . 52152 1 772 . 1 . 1 180 180 SER H H 1 7.596701866 0.002847330502 . 1 . . . . . 176 SER H . 52152 1 773 . 1 . 1 180 180 SER C C 13 171.5529974 0 . 1 . . . . . 176 SER C . 52152 1 774 . 1 . 1 180 180 SER CA C 13 56.31475247 0.0555052655 . 1 . . . . . 176 SER CA . 52152 1 775 . 1 . 1 180 180 SER CB C 13 68.02589933 0 . 1 . . . . . 176 SER CB . 52152 1 776 . 1 . 1 180 180 SER N N 15 111.1748359 0.04834043703 . 1 . . . . . 176 SER N . 52152 1 777 . 1 . 1 181 181 SER H H 1 7.533130504 0.002627919407 . 1 . . . . . 177 SER H . 52152 1 778 . 1 . 1 181 181 SER CA C 13 56.393143 0 . 1 . . . . . 177 SER CA . 52152 1 779 . 1 . 1 181 181 SER CB C 13 67.08658912 0 . 1 . . . . . 177 SER CB . 52152 1 780 . 1 . 1 181 181 SER N N 15 110.9255967 0.07235488547 . 1 . . . . . 177 SER N . 52152 1 781 . 1 . 1 182 182 GLY H H 1 7.486759575 0.002462983903 . 1 . . . . . 178 GLY H . 52152 1 782 . 1 . 1 182 182 GLY C C 13 170.5215595 0 . 1 . . . . . 178 GLY C . 52152 1 783 . 1 . 1 182 182 GLY CA C 13 44.56807367 0.1430986442 . 1 . . . . . 178 GLY CA . 52152 1 784 . 1 . 1 182 182 GLY N N 15 107.3746686 0.07722288083 . 1 . . . . . 178 GLY N . 52152 1 785 . 1 . 1 183 183 SER H H 1 6.261214913 0.001432246346 . 1 . . . . . 179 SER H . 52152 1 786 . 1 . 1 183 183 SER C C 13 172.6113575 0 . 1 . . . . . 179 SER C . 52152 1 787 . 1 . 1 183 183 SER CA C 13 57.44122151 0.06825328835 . 1 . . . . . 179 SER CA . 52152 1 788 . 1 . 1 183 183 SER CB C 13 66.4847618 0 . 1 . . . . . 179 SER CB . 52152 1 789 . 1 . 1 183 183 SER N N 15 111.930427 0.08079701903 . 1 . . . . . 179 SER N . 52152 1 790 . 1 . 1 184 184 SER H H 1 9.454993271 0.001345818521 . 1 . . . . . 180 SER H . 52152 1 791 . 1 . 1 184 184 SER CA C 13 56.94723524 0.07968357173 . 1 . . . . . 180 SER CA . 52152 1 792 . 1 . 1 184 184 SER CB C 13 66.8451519 0 . 1 . . . . . 180 SER CB . 52152 1 793 . 1 . 1 184 184 SER N N 15 116.2144871 0.06494534578 . 1 . . . . . 180 SER N . 52152 1 794 . 1 . 1 185 185 ASN H H 1 9.131600225 0.002430796831 . 1 . . . . . 181 ASN H . 52152 1 795 . 1 . 1 185 185 ASN CA C 13 54.83046439 0.1173484687 . 1 . . . . . 181 ASN CA . 52152 1 796 . 1 . 1 185 185 ASN CB C 13 40.84577104 0 . 1 . . . . . 181 ASN CB . 52152 1 797 . 1 . 1 185 185 ASN N N 15 125.1536156 0.0696899502 . 1 . . . . . 181 ASN N . 52152 1 798 . 1 . 1 186 186 VAL H H 1 8.555986646 0.001933259092 . 1 . . . . . 182 VAL H . 52152 1 799 . 1 . 1 186 186 VAL C C 13 173.2652362 0 . 1 . . . . . 182 VAL C . 52152 1 800 . 1 . 1 186 186 VAL CA C 13 60.93250938 0.1382792943 . 1 . . . . . 182 VAL CA . 52152 1 801 . 1 . 1 186 186 VAL CB C 13 36.23754843 0 . 1 . . . . . 182 VAL CB . 52152 1 802 . 1 . 1 186 186 VAL N N 15 125.5226915 0.07553908368 . 1 . . . . . 182 VAL N . 52152 1 803 . 1 . 1 187 187 THR H H 1 8.489042981 0.001319864135 . 1 . . . . . 183 THR H . 52152 1 804 . 1 . 1 187 187 THR CA C 13 61.90952557 0.1941574119 . 1 . . . . . 183 THR CA . 52152 1 805 . 1 . 1 187 187 THR CB C 13 70.24904663 0 . 1 . . . . . 183 THR CB . 52152 1 806 . 1 . 1 187 187 THR N N 15 122.7565307 0.06201749812 . 1 . . . . . 183 THR N . 52152 1 807 . 1 . 1 188 188 VAL H H 1 8.472492434 0.002518094548 . 1 . . . . . 184 VAL H . 52152 1 808 . 1 . 1 188 188 VAL C C 13 174.0511618 0.0000019 . 1 . . . . . 184 VAL C . 52152 1 809 . 1 . 1 188 188 VAL CA C 13 61.28330198 0 . 1 . . . . . 184 VAL CA . 52152 1 810 . 1 . 1 188 188 VAL N N 15 128.4595643 0.05633555157 . 1 . . . . . 184 VAL N . 52152 1 811 . 1 . 1 189 189 TRP H H 1 9.354318424 0.001692112791 . 1 . . . . . 185 TRP H . 52152 1 812 . 1 . 1 189 189 TRP C C 13 178.0695215 0 . 1 . . . . . 185 TRP C . 52152 1 813 . 1 . 1 189 189 TRP CA C 13 60.49231427 0.02152283983 . 1 . . . . . 185 TRP CA . 52152 1 814 . 1 . 1 189 189 TRP CB C 13 30.25312527 0 . 1 . . . . . 185 TRP CB . 52152 1 815 . 1 . 1 189 189 TRP N N 15 131.582163 0.05424345198 . 1 . . . . . 185 TRP N . 52152 1 stop_ save_