data_25381 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25381 _Entry.Title ; Structure of the E. coli threonylcarbamoyl-AMP synthase TsaC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-06 _Entry.Accession_date 2014-12-06 _Entry.Last_release_date 2015-06-15 _Entry.Original_release_date 2015-06-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kimberly Harris . A. . . 25381 2 Benjamin Bobay . G. . . 25381 3 Kathryn Sarachan . L. . . 25381 4 Alexis Sims . F. . . 25381 5 Yann Bilbille . . . . 25381 6 Christopher Deutsch . . . . 25381 7 Dirk Iwata-Reuyl . . . . 25381 8 Paul Agris . F. . . 25381 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25381 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25381 threonylcarbamoyl-AMP . 25381 threonylcarbamoyladenosine . 25381 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25381 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 723 25381 '15N chemical shifts' 168 25381 '1H chemical shifts' 1102 25381 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 . . 2016-02-18 2014-12-06 update BMRB 'update entry citation' 25381 1 . . 2015-06-15 2014-12-06 original author 'original release' 25381 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MX1 'BMRB Entry Tracking System' 25381 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25381 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26060251 _Citation.Full_citation . _Citation.Title ; NMR-based Structural Analysis of Threonylcarbamoyl-AMP Synthase and Its Substrate Interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 20032 _Citation.Page_last 20043 _Citation.Year 2015 _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 Kimberly Harris . A. . . 25381 1 2 Benjamin Bobay . G. . . 25381 1 3 Kathryn Sarachan . L. . . 25381 1 4 Alexis Sims . F. . . 25381 1 5 Yann Bilbille . . . . 25381 1 6 Christopher Deutsch . . . . 25381 1 7 Dirk Iwata-Reuyl . . . . 25381 1 8 Paul Agris . F. . . 25381 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25381 _Assembly.ID 1 _Assembly.Name 'E. coli threonylcarbamoyl-AMP synthase TsaC' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity 1 $entity A . yes native no no . . . 25381 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25381 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NNNLQRDAIAAAIDVLNEER VIAYPTEAVFGVGCDPDSET AVMRLLELKQRPVDKGLILI AANYEQLKPYIDDTMLTDVQ RETIFSRWPGPVTFVFPAPA TTPRWLTGRFDSLAVRVTDH PLVVALCQAYGKPLVSTSAN LSGLPPCRTVDEVRAQFGAA FPVVPGETGGRLNPSEIRDA LTGELFRQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20655.629 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 2 ASN . 25381 1 2 3 ASN . 25381 1 3 4 ASN . 25381 1 4 5 LEU . 25381 1 5 6 GLN . 25381 1 6 7 ARG . 25381 1 7 8 ASP . 25381 1 8 9 ALA . 25381 1 9 10 ILE . 25381 1 10 11 ALA . 25381 1 11 12 ALA . 25381 1 12 13 ALA . 25381 1 13 14 ILE . 25381 1 14 15 ASP . 25381 1 15 16 VAL . 25381 1 16 17 LEU . 25381 1 17 18 ASN . 25381 1 18 19 GLU . 25381 1 19 20 GLU . 25381 1 20 21 ARG . 25381 1 21 22 VAL . 25381 1 22 23 ILE . 25381 1 23 24 ALA . 25381 1 24 25 TYR . 25381 1 25 26 PRO . 25381 1 26 27 THR . 25381 1 27 28 GLU . 25381 1 28 29 ALA . 25381 1 29 30 VAL . 25381 1 30 31 PHE . 25381 1 31 32 GLY . 25381 1 32 33 VAL . 25381 1 33 34 GLY . 25381 1 34 35 CYS . 25381 1 35 36 ASP . 25381 1 36 37 PRO . 25381 1 37 38 ASP . 25381 1 38 39 SER . 25381 1 39 40 GLU . 25381 1 40 41 THR . 25381 1 41 42 ALA . 25381 1 42 43 VAL . 25381 1 43 44 MET . 25381 1 44 45 ARG . 25381 1 45 46 LEU . 25381 1 46 47 LEU . 25381 1 47 48 GLU . 25381 1 48 49 LEU . 25381 1 49 50 LYS . 25381 1 50 51 GLN . 25381 1 51 52 ARG . 25381 1 52 53 PRO . 25381 1 53 54 VAL . 25381 1 54 55 ASP . 25381 1 55 56 LYS . 25381 1 56 57 GLY . 25381 1 57 58 LEU . 25381 1 58 59 ILE . 25381 1 59 60 LEU . 25381 1 60 61 ILE . 25381 1 61 62 ALA . 25381 1 62 63 ALA . 25381 1 63 64 ASN . 25381 1 64 65 TYR . 25381 1 65 66 GLU . 25381 1 66 67 GLN . 25381 1 67 68 LEU . 25381 1 68 69 LYS . 25381 1 69 70 PRO . 25381 1 70 71 TYR . 25381 1 71 72 ILE . 25381 1 72 73 ASP . 25381 1 73 74 ASP . 25381 1 74 75 THR . 25381 1 75 76 MET . 25381 1 76 77 LEU . 25381 1 77 78 THR . 25381 1 78 79 ASP . 25381 1 79 80 VAL . 25381 1 80 81 GLN . 25381 1 81 82 ARG . 25381 1 82 83 GLU . 25381 1 83 84 THR . 25381 1 84 85 ILE . 25381 1 85 86 PHE . 25381 1 86 87 SER . 25381 1 87 88 ARG . 25381 1 88 89 TRP . 25381 1 89 90 PRO . 25381 1 90 91 GLY . 25381 1 91 92 PRO . 25381 1 92 93 VAL . 25381 1 93 94 THR . 25381 1 94 95 PHE . 25381 1 95 96 VAL . 25381 1 96 97 PHE . 25381 1 97 98 PRO . 25381 1 98 99 ALA . 25381 1 99 100 PRO . 25381 1 100 101 ALA . 25381 1 101 102 THR . 25381 1 102 103 THR . 25381 1 103 104 PRO . 25381 1 104 105 ARG . 25381 1 105 106 TRP . 25381 1 106 107 LEU . 25381 1 107 108 THR . 25381 1 108 109 GLY . 25381 1 109 110 ARG . 25381 1 110 111 PHE . 25381 1 111 112 ASP . 25381 1 112 113 SER . 25381 1 113 114 LEU . 25381 1 114 115 ALA . 25381 1 115 116 VAL . 25381 1 116 117 ARG . 25381 1 117 118 VAL . 25381 1 118 119 THR . 25381 1 119 120 ASP . 25381 1 120 121 HIS . 25381 1 121 122 PRO . 25381 1 122 123 LEU . 25381 1 123 124 VAL . 25381 1 124 125 VAL . 25381 1 125 126 ALA . 25381 1 126 127 LEU . 25381 1 127 128 CYS . 25381 1 128 129 GLN . 25381 1 129 130 ALA . 25381 1 130 131 TYR . 25381 1 131 132 GLY . 25381 1 132 133 LYS . 25381 1 133 134 PRO . 25381 1 134 135 LEU . 25381 1 135 136 VAL . 25381 1 136 137 SER . 25381 1 137 138 THR . 25381 1 138 139 SER . 25381 1 139 140 ALA . 25381 1 140 141 ASN . 25381 1 141 142 LEU . 25381 1 142 143 SER . 25381 1 143 144 GLY . 25381 1 144 145 LEU . 25381 1 145 146 PRO . 25381 1 146 147 PRO . 25381 1 147 148 CYS . 25381 1 148 149 ARG . 25381 1 149 150 THR . 25381 1 150 151 VAL . 25381 1 151 152 ASP . 25381 1 152 153 GLU . 25381 1 153 154 VAL . 25381 1 154 155 ARG . 25381 1 155 156 ALA . 25381 1 156 157 GLN . 25381 1 157 158 PHE . 25381 1 158 159 GLY . 25381 1 159 160 ALA . 25381 1 160 161 ALA . 25381 1 161 162 PHE . 25381 1 162 163 PRO . 25381 1 163 164 VAL . 25381 1 164 165 VAL . 25381 1 165 166 PRO . 25381 1 166 167 GLY . 25381 1 167 168 GLU . 25381 1 168 169 THR . 25381 1 169 170 GLY . 25381 1 170 171 GLY . 25381 1 171 172 ARG . 25381 1 172 173 LEU . 25381 1 173 174 ASN . 25381 1 174 175 PRO . 25381 1 175 176 SER . 25381 1 176 177 GLU . 25381 1 177 178 ILE . 25381 1 178 179 ARG . 25381 1 179 180 ASP . 25381 1 180 181 ALA . 25381 1 181 182 LEU . 25381 1 182 183 THR . 25381 1 183 184 GLY . 25381 1 184 185 GLU . 25381 1 185 186 LEU . 25381 1 186 187 PHE . 25381 1 187 188 ARG . 25381 1 188 189 GLN . 25381 1 189 190 GLY . 25381 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 . ASN 1 1 25381 1 . ASN 2 2 25381 1 . ASN 3 3 25381 1 . LEU 4 4 25381 1 . GLN 5 5 25381 1 . ARG 6 6 25381 1 . ASP 7 7 25381 1 . ALA 8 8 25381 1 . ILE 9 9 25381 1 . ALA 10 10 25381 1 . ALA 11 11 25381 1 . ALA 12 12 25381 1 . ILE 13 13 25381 1 . ASP 14 14 25381 1 . VAL 15 15 25381 1 . LEU 16 16 25381 1 . ASN 17 17 25381 1 . GLU 18 18 25381 1 . GLU 19 19 25381 1 . ARG 20 20 25381 1 . VAL 21 21 25381 1 . ILE 22 22 25381 1 . ALA 23 23 25381 1 . TYR 24 24 25381 1 . PRO 25 25 25381 1 . THR 26 26 25381 1 . GLU 27 27 25381 1 . ALA 28 28 25381 1 . VAL 29 29 25381 1 . PHE 30 30 25381 1 . GLY 31 31 25381 1 . VAL 32 32 25381 1 . GLY 33 33 25381 1 . CYS 34 34 25381 1 . ASP 35 35 25381 1 . PRO 36 36 25381 1 . ASP 37 37 25381 1 . SER 38 38 25381 1 . GLU 39 39 25381 1 . THR 40 40 25381 1 . ALA 41 41 25381 1 . VAL 42 42 25381 1 . MET 43 43 25381 1 . ARG 44 44 25381 1 . LEU 45 45 25381 1 . LEU 46 46 25381 1 . GLU 47 47 25381 1 . LEU 48 48 25381 1 . LYS 49 49 25381 1 . GLN 50 50 25381 1 . ARG 51 51 25381 1 . PRO 52 52 25381 1 . VAL 53 53 25381 1 . ASP 54 54 25381 1 . LYS 55 55 25381 1 . GLY 56 56 25381 1 . LEU 57 57 25381 1 . ILE 58 58 25381 1 . LEU 59 59 25381 1 . ILE 60 60 25381 1 . ALA 61 61 25381 1 . ALA 62 62 25381 1 . ASN 63 63 25381 1 . TYR 64 64 25381 1 . GLU 65 65 25381 1 . GLN 66 66 25381 1 . LEU 67 67 25381 1 . LYS 68 68 25381 1 . PRO 69 69 25381 1 . TYR 70 70 25381 1 . ILE 71 71 25381 1 . ASP 72 72 25381 1 . ASP 73 73 25381 1 . THR 74 74 25381 1 . MET 75 75 25381 1 . LEU 76 76 25381 1 . THR 77 77 25381 1 . ASP 78 78 25381 1 . VAL 79 79 25381 1 . GLN 80 80 25381 1 . ARG 81 81 25381 1 . GLU 82 82 25381 1 . THR 83 83 25381 1 . ILE 84 84 25381 1 . PHE 85 85 25381 1 . SER 86 86 25381 1 . ARG 87 87 25381 1 . TRP 88 88 25381 1 . PRO 89 89 25381 1 . GLY 90 90 25381 1 . PRO 91 91 25381 1 . VAL 92 92 25381 1 . THR 93 93 25381 1 . PHE 94 94 25381 1 . VAL 95 95 25381 1 . PHE 96 96 25381 1 . PRO 97 97 25381 1 . ALA 98 98 25381 1 . PRO 99 99 25381 1 . ALA 100 100 25381 1 . THR 101 101 25381 1 . THR 102 102 25381 1 . PRO 103 103 25381 1 . ARG 104 104 25381 1 . TRP 105 105 25381 1 . LEU 106 106 25381 1 . THR 107 107 25381 1 . GLY 108 108 25381 1 . ARG 109 109 25381 1 . PHE 110 110 25381 1 . ASP 111 111 25381 1 . SER 112 112 25381 1 . LEU 113 113 25381 1 . ALA 114 114 25381 1 . VAL 115 115 25381 1 . ARG 116 116 25381 1 . VAL 117 117 25381 1 . THR 118 118 25381 1 . ASP 119 119 25381 1 . HIS 120 120 25381 1 . PRO 121 121 25381 1 . LEU 122 122 25381 1 . VAL 123 123 25381 1 . VAL 124 124 25381 1 . ALA 125 125 25381 1 . LEU 126 126 25381 1 . CYS 127 127 25381 1 . GLN 128 128 25381 1 . ALA 129 129 25381 1 . TYR 130 130 25381 1 . GLY 131 131 25381 1 . LYS 132 132 25381 1 . PRO 133 133 25381 1 . LEU 134 134 25381 1 . VAL 135 135 25381 1 . SER 136 136 25381 1 . THR 137 137 25381 1 . SER 138 138 25381 1 . ALA 139 139 25381 1 . ASN 140 140 25381 1 . LEU 141 141 25381 1 . SER 142 142 25381 1 . GLY 143 143 25381 1 . LEU 144 144 25381 1 . PRO 145 145 25381 1 . PRO 146 146 25381 1 . CYS 147 147 25381 1 . ARG 148 148 25381 1 . THR 149 149 25381 1 . VAL 150 150 25381 1 . ASP 151 151 25381 1 . GLU 152 152 25381 1 . VAL 153 153 25381 1 . ARG 154 154 25381 1 . ALA 155 155 25381 1 . GLN 156 156 25381 1 . PHE 157 157 25381 1 . GLY 158 158 25381 1 . ALA 159 159 25381 1 . ALA 160 160 25381 1 . PHE 161 161 25381 1 . PRO 162 162 25381 1 . VAL 163 163 25381 1 . VAL 164 164 25381 1 . PRO 165 165 25381 1 . GLY 166 166 25381 1 . GLU 167 167 25381 1 . THR 168 168 25381 1 . GLY 169 169 25381 1 . GLY 170 170 25381 1 . ARG 171 171 25381 1 . LEU 172 172 25381 1 . ASN 173 173 25381 1 . PRO 174 174 25381 1 . SER 175 175 25381 1 . GLU 176 176 25381 1 . ILE 177 177 25381 1 . ARG 178 178 25381 1 . ASP 179 179 25381 1 . ALA 180 180 25381 1 . LEU 181 181 25381 1 . THR 182 182 25381 1 . GLY 183 183 25381 1 . GLU 184 184 25381 1 . LEU 185 185 25381 1 . PHE 186 186 25381 1 . ARG 187 187 25381 1 . GLN 188 188 25381 1 . GLY 189 189 25381 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25381 _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 . 562 organism . 'Escherichia coli' E.coli . . Bacteria . Escherichia coli K12 83333 . . . . . . . . . 'B3282, JW3243, rimn, yrdc, tsac' . 25381 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25381 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21 . . . 25381 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25381 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Recombinant TsaC protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25381 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25381 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25381 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25381 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25381 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25381 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25381 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Recombinant TsaC protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25381 2 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25381 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25381 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25381 2 5 'Pf1 bacteriophage' 'natural abundance' . . . . . . 12 . . mg/mL . . . . 25381 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25381 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25381 2 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 25381 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 25381 1 pH 6.8 . pH 25381 1 pressure 1 . atm 25381 1 temperature 298 . K 25381 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25381 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25381 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25381 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25381 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25381 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25381 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25381 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25381 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25381 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25381 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25381 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25381 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25381 _Software.ID 5 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25381 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25381 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25381 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25381 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25381 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 25381 1 2 spectrometer_2 Bruker 'Avance II' . 700 . . . 25381 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25381 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 11 '3D 15N TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 12 '1H-15N HSQC-IPAP' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 13 '1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25381 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25381 _Chem_shift_reference.ID 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.77 internal indirect 0.25144 . . . . . . . . . 25381 1 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . . . . . 25381 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.10132 . . . . . . . . . 25381 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25381 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25381 1 2 '3D HNCA' . . . 25381 1 3 '3D HN(CO)CA' . . . 25381 1 4 '3D CBCA(CO)NH' . . . 25381 1 5 '3D HNCACB' . . . 25381 1 6 '3D HNCO' . . . 25381 1 7 '3D H(CCO)NH' . . . 25381 1 8 '3D C(CO)NH' . . . 25381 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.623 0.05 . 1 . . . . 3 ASN HA . 25381 1 2 . 1 1 2 2 ASN C C 13 174.127 0.197 . 1 . . . . 3 ASN C . 25381 1 3 . 1 1 2 2 ASN CA C 13 53.199 0.011 . 1 . . . . 3 ASN CA . 25381 1 4 . 1 1 2 2 ASN CB C 13 38.892 0.184 . 1 . . . . 3 ASN CB . 25381 1 5 . 1 1 3 3 ASN H H 1 8.567 0.068 . 1 . . . . 4 ASN H . 25381 1 6 . 1 1 3 3 ASN HA H 1 4.636 0.299 . 1 . . . . 4 ASN HA . 25381 1 7 . 1 1 3 3 ASN C C 13 173.961 0.011 . 1 . . . . 4 ASN C . 25381 1 8 . 1 1 3 3 ASN CA C 13 54.075 0.007 . 1 . . . . 4 ASN CA . 25381 1 9 . 1 1 3 3 ASN CB C 13 38.287 0.189 . 1 . . . . 4 ASN CB . 25381 1 10 . 1 1 3 3 ASN N N 15 121.054 0.129 . 1 . . . . 4 ASN N . 25381 1 11 . 1 1 4 4 LEU H H 1 8.084 0.012 . 1 . . . . 5 LEU H . 25381 1 12 . 1 1 4 4 LEU HA H 1 4.151 0 . 1 . . . . 5 LEU HA . 25381 1 13 . 1 1 4 4 LEU HB2 H 1 1.687 0.002 . 2 . . . . 5 LEU HB2 . 25381 1 14 . 1 1 4 4 LEU HB3 H 1 1.511 0.002 . 2 . . . . 5 LEU HB3 . 25381 1 15 . 1 1 4 4 LEU HD11 H 1 0.944 0 . 2 . . . . 5 LEU HD1 . 25381 1 16 . 1 1 4 4 LEU HD12 H 1 0.944 0 . 2 . . . . 5 LEU HD1 . 25381 1 17 . 1 1 4 4 LEU HD13 H 1 0.944 0 . 2 . . . . 5 LEU HD1 . 25381 1 18 . 1 1 4 4 LEU HD21 H 1 0.804 0 . 2 . . . . 5 LEU HD2 . 25381 1 19 . 1 1 4 4 LEU HD22 H 1 0.804 0 . 2 . . . . 5 LEU HD2 . 25381 1 20 . 1 1 4 4 LEU HD23 H 1 0.804 0 . 2 . . . . 5 LEU HD2 . 25381 1 21 . 1 1 4 4 LEU C C 13 177.157 0.027 . 1 . . . . 5 LEU C . 25381 1 22 . 1 1 4 4 LEU CA C 13 56.708 0.017 . 1 . . . . 5 LEU CA . 25381 1 23 . 1 1 4 4 LEU CB C 13 41.788 0.103 . 1 . . . . 5 LEU CB . 25381 1 24 . 1 1 4 4 LEU CG C 13 26.691 0.023 . 1 . . . . 5 LEU CG . 25381 1 25 . 1 1 4 4 LEU CD1 C 13 24.9 0.011 . 2 . . . . 5 LEU CD1 . 25381 1 26 . 1 1 4 4 LEU CD2 C 13 23.01 0.088 . 2 . . . . 5 LEU CD2 . 25381 1 27 . 1 1 4 4 LEU N N 15 123.529 0.062 . 1 . . . . 5 LEU N . 25381 1 28 . 1 1 5 5 GLN H H 1 8.31 0.088 . 1 . . . . 6 GLN H . 25381 1 29 . 1 1 5 5 GLN HA H 1 4.062 0.037 . 1 . . . . 6 GLN HA . 25381 1 30 . 1 1 5 5 GLN HB2 H 1 1.953 0 . 2 . . . . 6 GLN HB2 . 25381 1 31 . 1 1 5 5 GLN HB3 H 1 2.043 0.05 . 2 . . . . 6 GLN HB3 . 25381 1 32 . 1 1 5 5 GLN HG2 H 1 2.344 0.005 . 2 . . . . 6 GLN HG2 . 25381 1 33 . 1 1 5 5 GLN HG3 H 1 2.194 0.011 . 2 . . . . 6 GLN HG3 . 25381 1 34 . 1 1 5 5 GLN C C 13 175.439 0.016 . 1 . . . . 6 GLN C . 25381 1 35 . 1 1 5 5 GLN CA C 13 57.994 0.013 . 1 . . . . 6 GLN CA . 25381 1 36 . 1 1 5 5 GLN CB C 13 28.954 0.118 . 1 . . . . 6 GLN CB . 25381 1 37 . 1 1 5 5 GLN CG C 13 34.302 0.024 . 1 . . . . 6 GLN CG . 25381 1 38 . 1 1 5 5 GLN N N 15 122.323 0.005 . 1 . . . . 6 GLN N . 25381 1 39 . 1 1 6 6 ARG H H 1 8.164 0.437 . 1 . . . . 7 ARG H . 25381 1 40 . 1 1 6 6 ARG HA H 1 4.023 0.05 . 1 . . . . 7 ARG HA . 25381 1 41 . 1 1 6 6 ARG HB2 H 1 1.383 0.02 . 1 . . . . 7 ARG HB2 . 25381 1 42 . 1 1 6 6 ARG HB3 H 1 1.383 0.02 . 1 . . . . 7 ARG HB3 . 25381 1 43 . 1 1 6 6 ARG HG2 H 1 1.52 0.002 . 1 . . . . 7 ARG HG2 . 25381 1 44 . 1 1 6 6 ARG HG3 H 1 1.52 0.002 . 1 . . . . 7 ARG HG3 . 25381 1 45 . 1 1 6 6 ARG HD2 H 1 3.111 0 . 2 . . . . 7 ARG HD2 . 25381 1 46 . 1 1 6 6 ARG HD3 H 1 3.234 0.002 . 2 . . . . 7 ARG HD3 . 25381 1 47 . 1 1 6 6 ARG C C 13 177.094 0.012 . 1 . . . . 7 ARG C . 25381 1 48 . 1 1 6 6 ARG CA C 13 58.748 0.01 . 1 . . . . 7 ARG CA . 25381 1 49 . 1 1 6 6 ARG CB C 13 29.783 0.235 . 1 . . . . 7 ARG CB . 25381 1 50 . 1 1 6 6 ARG CG C 13 26.641 0.22 . 1 . . . . 7 ARG CG . 25381 1 51 . 1 1 6 6 ARG CD C 13 43.007 0 . 1 . . . . 7 ARG CD . 25381 1 52 . 1 1 6 6 ARG N N 15 122.314 0.098 . 1 . . . . 7 ARG N . 25381 1 53 . 1 1 7 7 ASP H H 1 8.33 0.034 . 1 . . . . 8 ASP H . 25381 1 54 . 1 1 7 7 ASP HA H 1 4.42 0.029 . 1 . . . . 8 ASP HA . 25381 1 55 . 1 1 7 7 ASP HB2 H 1 2.648 0 . 2 . . . . 8 ASP HB2 . 25381 1 56 . 1 1 7 7 ASP HB3 H 1 2.761 0 . 2 . . . . 8 ASP HB3 . 25381 1 57 . 1 1 7 7 ASP C C 13 176.645 0.015 . 1 . . . . 8 ASP C . 25381 1 58 . 1 1 7 7 ASP CA C 13 56.286 0.012 . 1 . . . . 8 ASP CA . 25381 1 59 . 1 1 7 7 ASP CB C 13 40.228 0.11 . 1 . . . . 8 ASP CB . 25381 1 60 . 1 1 7 7 ASP N N 15 122.398 0.003 . 1 . . . . 8 ASP N . 25381 1 61 . 1 1 8 8 ALA H H 1 8.191 0.039 . 1 . . . . 9 ALA H . 25381 1 62 . 1 1 8 8 ALA HA H 1 4.161 0.031 . 1 . . . . 9 ALA HA . 25381 1 63 . 1 1 8 8 ALA HB1 H 1 1.543 0.082 . 1 . . . . 9 ALA HB . 25381 1 64 . 1 1 8 8 ALA HB2 H 1 1.543 0.082 . 1 . . . . 9 ALA HB . 25381 1 65 . 1 1 8 8 ALA HB3 H 1 1.543 0.082 . 1 . . . . 9 ALA HB . 25381 1 66 . 1 1 8 8 ALA C C 13 179.393 0.002 . 1 . . . . 9 ALA C . 25381 1 67 . 1 1 8 8 ALA CA C 13 54.876 0.009 . 1 . . . . 9 ALA CA . 25381 1 68 . 1 1 8 8 ALA CB C 13 18.839 0.116 . 1 . . . . 9 ALA CB . 25381 1 69 . 1 1 8 8 ALA N N 15 126.091 0.078 . 1 . . . . 9 ALA N . 25381 1 70 . 1 1 9 9 ILE H H 1 8.177 0.05 . 1 . . . . 10 ILE H . 25381 1 71 . 1 1 9 9 ILE HA H 1 3.525 0 . 1 . . . . 10 ILE HA . 25381 1 72 . 1 1 9 9 ILE HB H 1 1.905 0 . 1 . . . . 10 ILE HB . 25381 1 73 . 1 1 9 9 ILE HG12 H 1 0.742 0.082 . 2 . . . . 10 ILE HG1 . 25381 1 74 . 1 1 9 9 ILE HG13 H 1 0.742 0.082 . 2 . . . . 10 ILE HG1 . 25381 1 75 . 1 1 9 9 ILE HG21 H 1 0.734 0 . 1 . . . . 10 ILE HG2 . 25381 1 76 . 1 1 9 9 ILE HG22 H 1 0.734 0 . 1 . . . . 10 ILE HG2 . 25381 1 77 . 1 1 9 9 ILE HG23 H 1 0.734 0 . 1 . . . . 10 ILE HG2 . 25381 1 78 . 1 1 9 9 ILE C C 13 175.414 0.026 . 1 . . . . 10 ILE C . 25381 1 79 . 1 1 9 9 ILE CA C 13 64.916 0.005 . 1 . . . . 10 ILE CA . 25381 1 80 . 1 1 9 9 ILE CB C 13 37.411 0.112 . 1 . . . . 10 ILE CB . 25381 1 81 . 1 1 9 9 ILE CG1 C 13 29.705 0.16 . 1 . . . . 10 ILE CG1 . 25381 1 82 . 1 1 9 9 ILE CG2 C 13 17.239 0.002 . 1 . . . . 10 ILE CG2 . 25381 1 83 . 1 1 9 9 ILE CD1 C 13 12.364 0.043 . 1 . . . . 10 ILE CD1 . 25381 1 84 . 1 1 9 9 ILE N N 15 121.817 0.029 . 1 . . . . 10 ILE N . 25381 1 85 . 1 1 10 10 ALA H H 1 7.906 0.044 . 1 . . . . 11 ALA H . 25381 1 86 . 1 1 10 10 ALA HA H 1 3.946 0.011 . 1 . . . . 11 ALA HA . 25381 1 87 . 1 1 10 10 ALA HB1 H 1 1.398 0.206 . 1 . . . . 11 ALA HB . 25381 1 88 . 1 1 10 10 ALA HB2 H 1 1.398 0.206 . 1 . . . . 11 ALA HB . 25381 1 89 . 1 1 10 10 ALA HB3 H 1 1.398 0.206 . 1 . . . . 11 ALA HB . 25381 1 90 . 1 1 10 10 ALA C C 13 178.972 0.021 . 1 . . . . 11 ALA C . 25381 1 91 . 1 1 10 10 ALA CA C 13 55.432 0.009 . 1 . . . . 11 ALA CA . 25381 1 92 . 1 1 10 10 ALA CB C 13 17.861 0.102 . 1 . . . . 11 ALA CB . 25381 1 93 . 1 1 10 10 ALA N N 15 123.77 0.056 . 1 . . . . 11 ALA N . 25381 1 94 . 1 1 11 11 ALA H H 1 7.922 0.037 . 1 . . . . 12 ALA H . 25381 1 95 . 1 1 11 11 ALA HA H 1 4.081 0.024 . 1 . . . . 12 ALA HA . 25381 1 96 . 1 1 11 11 ALA HB1 H 1 1.389 0.106 . 1 . . . . 12 ALA HB . 25381 1 97 . 1 1 11 11 ALA HB2 H 1 1.389 0.106 . 1 . . . . 12 ALA HB . 25381 1 98 . 1 1 11 11 ALA HB3 H 1 1.389 0.106 . 1 . . . . 12 ALA HB . 25381 1 99 . 1 1 11 11 ALA C C 13 178.989 0.014 . 1 . . . . 12 ALA C . 25381 1 100 . 1 1 11 11 ALA CA C 13 54.654 0.005 . 1 . . . . 12 ALA CA . 25381 1 101 . 1 1 11 11 ALA CB C 13 17.682 0.126 . 1 . . . . 12 ALA CB . 25381 1 102 . 1 1 11 11 ALA N N 15 120.766 0.039 . 1 . . . . 12 ALA N . 25381 1 103 . 1 1 12 12 ALA H H 1 7.793 0.039 . 1 . . . . 13 ALA H . 25381 1 104 . 1 1 12 12 ALA HA H 1 3.783 0.006 . 1 . . . . 13 ALA HA . 25381 1 105 . 1 1 12 12 ALA HB1 H 1 1.284 0.135 . 1 . . . . 13 ALA HB . 25381 1 106 . 1 1 12 12 ALA HB2 H 1 1.284 0.135 . 1 . . . . 13 ALA HB . 25381 1 107 . 1 1 12 12 ALA HB3 H 1 1.284 0.135 . 1 . . . . 13 ALA HB . 25381 1 108 . 1 1 12 12 ALA C C 13 177.735 0.025 . 1 . . . . 13 ALA C . 25381 1 109 . 1 1 12 12 ALA CA C 13 54.752 0.005 . 1 . . . . 13 ALA CA . 25381 1 110 . 1 1 12 12 ALA CB C 13 18.359 0.051 . 1 . . . . 13 ALA CB . 25381 1 111 . 1 1 12 12 ALA N N 15 123.093 0 . 1 . . . . 13 ALA N . 25381 1 112 . 1 1 13 13 ILE H H 1 8.101 0.006 . 1 . . . . 14 ILE H . 25381 1 113 . 1 1 13 13 ILE HA H 1 3.094 0 . 1 . . . . 14 ILE HA . 25381 1 114 . 1 1 13 13 ILE HB H 1 1.835 0 . 1 . . . . 14 ILE HB . 25381 1 115 . 1 1 13 13 ILE HG12 H 1 0.966 0.001 . 2 . . . . 14 ILE HG1 . 25381 1 116 . 1 1 13 13 ILE HG13 H 1 0.966 0.001 . 2 . . . . 14 ILE HG1 . 25381 1 117 . 1 1 13 13 ILE HG21 H 1 0.76 0 . 1 . . . . 14 ILE HG2 . 25381 1 118 . 1 1 13 13 ILE HG22 H 1 0.76 0 . 1 . . . . 14 ILE HG2 . 25381 1 119 . 1 1 13 13 ILE HG23 H 1 0.76 0 . 1 . . . . 14 ILE HG2 . 25381 1 120 . 1 1 13 13 ILE C C 13 176.036 0.011 . 1 . . . . 14 ILE C . 25381 1 121 . 1 1 13 13 ILE CA C 13 65.331 0.006 . 1 . . . . 14 ILE CA . 25381 1 122 . 1 1 13 13 ILE CB C 13 37.71 0.108 . 1 . . . . 14 ILE CB . 25381 1 123 . 1 1 13 13 ILE CG1 C 13 31.466 0.033 . 1 . . . . 14 ILE CG1 . 25381 1 124 . 1 1 13 13 ILE CG2 C 13 20.721 0.003 . 1 . . . . 14 ILE CG2 . 25381 1 125 . 1 1 13 13 ILE CD1 C 13 13.459 0.003 . 1 . . . . 14 ILE CD1 . 25381 1 126 . 1 1 13 13 ILE N N 15 120.835 0.015 . 1 . . . . 14 ILE N . 25381 1 127 . 1 1 14 14 ASP H H 1 7.456 0.038 . 1 . . . . 15 ASP H . 25381 1 128 . 1 1 14 14 ASP HA H 1 4.379 0.144 . 1 . . . . 15 ASP HA . 25381 1 129 . 1 1 14 14 ASP HB2 H 1 2.709 0.015 . 1 . . . . 15 ASP HB2 . 25381 1 130 . 1 1 14 14 ASP HB3 H 1 2.709 0.015 . 1 . . . . 15 ASP HB3 . 25381 1 131 . 1 1 14 14 ASP C C 13 177.414 0.042 . 1 . . . . 15 ASP C . 25381 1 132 . 1 1 14 14 ASP CA C 13 57.885 0.005 . 1 . . . . 15 ASP CA . 25381 1 133 . 1 1 14 14 ASP CB C 13 39.705 0.117 . 1 . . . . 15 ASP CB . 25381 1 134 . 1 1 14 14 ASP N N 15 121.557 0.03 . 1 . . . . 15 ASP N . 25381 1 135 . 1 1 15 15 VAL H H 1 7.146 0.024 . 1 . . . . 16 VAL H . 25381 1 136 . 1 1 15 15 VAL HA H 1 3.454 0.012 . 1 . . . . 16 VAL HA . 25381 1 137 . 1 1 15 15 VAL HB H 1 1.964 0.011 . 1 . . . . 16 VAL HB . 25381 1 138 . 1 1 15 15 VAL HG11 H 1 0.847 0.148 . 2 . . . . 16 VAL HG1 . 25381 1 139 . 1 1 15 15 VAL HG12 H 1 0.847 0.148 . 2 . . . . 16 VAL HG1 . 25381 1 140 . 1 1 15 15 VAL HG13 H 1 0.847 0.148 . 2 . . . . 16 VAL HG1 . 25381 1 141 . 1 1 15 15 VAL HG21 H 1 0.515 0 . 2 . . . . 16 VAL HG2 . 25381 1 142 . 1 1 15 15 VAL HG22 H 1 0.515 0 . 2 . . . . 16 VAL HG2 . 25381 1 143 . 1 1 15 15 VAL HG23 H 1 0.515 0 . 2 . . . . 16 VAL HG2 . 25381 1 144 . 1 1 15 15 VAL C C 13 178.087 0.008 . 1 . . . . 16 VAL C . 25381 1 145 . 1 1 15 15 VAL CA C 13 66.5 0.013 . 1 . . . . 16 VAL CA . 25381 1 146 . 1 1 15 15 VAL CB C 13 31.134 0.081 . 1 . . . . 16 VAL CB . 25381 1 147 . 1 1 15 15 VAL CG1 C 13 22.165 0.024 . 2 . . . . 16 VAL CG1 . 25381 1 148 . 1 1 15 15 VAL CG2 C 13 22.404 0.208 . 2 . . . . 16 VAL CG2 . 25381 1 149 . 1 1 15 15 VAL N N 15 121.544 0.015 . 1 . . . . 16 VAL N . 25381 1 150 . 1 1 16 16 LEU H H 1 8.503 0 . 1 . . . . 17 LEU H . 25381 1 151 . 1 1 16 16 LEU HA H 1 4.511 0 . 1 . . . . 17 LEU HA . 25381 1 152 . 1 1 16 16 LEU HB2 H 1 1.308 0 . 2 . . . . 17 LEU HB2 . 25381 1 153 . 1 1 16 16 LEU HB3 H 1 1.429 0 . 2 . . . . 17 LEU HB3 . 25381 1 154 . 1 1 16 16 LEU HG H 1 0.526 0 . 1 . . . . 17 LEU HG . 25381 1 155 . 1 1 16 16 LEU HD11 H 1 -0.33 0 . 2 . . . . 17 LEU HD1 . 25381 1 156 . 1 1 16 16 LEU HD12 H 1 -0.33 0 . 2 . . . . 17 LEU HD1 . 25381 1 157 . 1 1 16 16 LEU HD13 H 1 -0.33 0 . 2 . . . . 17 LEU HD1 . 25381 1 158 . 1 1 16 16 LEU HD21 H 1 -0.232 0.1 . 2 . . . . 17 LEU HD2 . 25381 1 159 . 1 1 16 16 LEU HD22 H 1 -0.232 0.1 . 2 . . . . 17 LEU HD2 . 25381 1 160 . 1 1 16 16 LEU HD23 H 1 -0.232 0.1 . 2 . . . . 17 LEU HD2 . 25381 1 161 . 1 1 16 16 LEU C C 13 181.58 0.009 . 1 . . . . 17 LEU C . 25381 1 162 . 1 1 16 16 LEU CA C 13 57.454 0.007 . 1 . . . . 17 LEU CA . 25381 1 163 . 1 1 16 16 LEU CB C 13 40.991 0.115 . 1 . . . . 17 LEU CB . 25381 1 164 . 1 1 16 16 LEU CG C 13 27.297 0 . 1 . . . . 17 LEU CG . 25381 1 165 . 1 1 16 16 LEU CD1 C 13 23.706 0 . 2 . . . . 17 LEU CD1 . 25381 1 166 . 1 1 16 16 LEU CD2 C 13 23.615 0.076 . 2 . . . . 17 LEU CD2 . 25381 1 167 . 1 1 16 16 LEU N N 15 123.377 0.015 . 1 . . . . 17 LEU N . 25381 1 168 . 1 1 17 17 ASN H H 1 8.773 0.042 . 1 . . . . 18 ASN H . 25381 1 169 . 1 1 17 17 ASN HA H 1 4.723 0.182 . 1 . . . . 18 ASN HA . 25381 1 170 . 1 1 17 17 ASN HB2 H 1 3.021 0 . 2 . . . . 18 ASN HB2 . 25381 1 171 . 1 1 17 17 ASN HB3 H 1 2.899 0 . 2 . . . . 18 ASN HB3 . 25381 1 172 . 1 1 17 17 ASN C C 13 174.689 0.008 . 1 . . . . 18 ASN C . 25381 1 173 . 1 1 17 17 ASN CA C 13 54.922 0.007 . 1 . . . . 18 ASN CA . 25381 1 174 . 1 1 17 17 ASN CB C 13 38.039 0.133 . 1 . . . . 18 ASN CB . 25381 1 175 . 1 1 17 17 ASN N N 15 121.118 0.025 . 1 . . . . 18 ASN N . 25381 1 176 . 1 1 18 18 GLU H H 1 7.585 0.18 . 1 . . . . 19 GLU H . 25381 1 177 . 1 1 18 18 GLU HA H 1 4.414 0.011 . 1 . . . . 19 GLU HA . 25381 1 178 . 1 1 18 18 GLU HB2 H 1 2.046 0.03 . 2 . . . . 19 GLU HB2 . 25381 1 179 . 1 1 18 18 GLU HB3 H 1 2.228 0.1 . 2 . . . . 19 GLU HB3 . 25381 1 180 . 1 1 18 18 GLU HG2 H 1 2.587 0 . 2 . . . . 19 GLU HG2 . 25381 1 181 . 1 1 18 18 GLU HG3 H 1 2.49 0.023 . 2 . . . . 19 GLU HG3 . 25381 1 182 . 1 1 18 18 GLU C C 13 173.511 0.02 . 1 . . . . 19 GLU C . 25381 1 183 . 1 1 18 18 GLU CA C 13 56.045 0.005 . 1 . . . . 19 GLU CA . 25381 1 184 . 1 1 18 18 GLU CB C 13 29.558 0.16 . 1 . . . . 19 GLU CB . 25381 1 185 . 1 1 18 18 GLU CG C 13 36.341 0.013 . 1 . . . . 19 GLU CG . 25381 1 186 . 1 1 18 18 GLU N N 15 122.095 0.085 . 1 . . . . 19 GLU N . 25381 1 187 . 1 1 19 19 GLU H H 1 7.981 0.163 . 1 . . . . 20 GLU H . 25381 1 188 . 1 1 19 19 GLU HA H 1 3.921 0 . 1 . . . . 20 GLU HA . 25381 1 189 . 1 1 19 19 GLU HB2 H 1 2.012 0 . 2 . . . . 20 GLU HB2 . 25381 1 190 . 1 1 19 19 GLU HB3 H 1 1.838 0.05 . 2 . . . . 20 GLU HB3 . 25381 1 191 . 1 1 19 19 GLU HG2 H 1 2.429 0.002 . 2 . . . . 20 GLU HG2 . 25381 1 192 . 1 1 19 19 GLU HG3 H 1 2.22 0.019 . 2 . . . . 20 GLU HG3 . 25381 1 193 . 1 1 19 19 GLU C C 13 173.674 0.012 . 1 . . . . 20 GLU C . 25381 1 194 . 1 1 19 19 GLU CA C 13 57.588 0.008 . 1 . . . . 20 GLU CA . 25381 1 195 . 1 1 19 19 GLU CB C 13 26.401 0.13 . 1 . . . . 20 GLU CB . 25381 1 196 . 1 1 19 19 GLU CG C 13 37.883 0.003 . 1 . . . . 20 GLU CG . 25381 1 197 . 1 1 19 19 GLU N N 15 112.784 0.099 . 1 . . . . 20 GLU N . 25381 1 198 . 1 1 20 20 ARG H H 1 6.939 0.172 . 1 . . . . 21 ARG H . 25381 1 199 . 1 1 20 20 ARG HA H 1 4.602 0.087 . 1 . . . . 21 ARG HA . 25381 1 200 . 1 1 20 20 ARG HB2 H 1 1.56 0 . 2 . . . . 21 ARG HB2 . 25381 1 201 . 1 1 20 20 ARG HB3 H 1 1.581 0.05 . 2 . . . . 21 ARG HB3 . 25381 1 202 . 1 1 20 20 ARG HD2 H 1 3.102 0 . 2 . . . . 21 ARG HD2 . 25381 1 203 . 1 1 20 20 ARG HD3 H 1 3.183 0.011 . 2 . . . . 21 ARG HD3 . 25381 1 204 . 1 1 20 20 ARG C C 13 172.958 0.019 . 1 . . . . 21 ARG C . 25381 1 205 . 1 1 20 20 ARG CA C 13 54.453 0.009 . 1 . . . . 21 ARG CA . 25381 1 206 . 1 1 20 20 ARG CB C 13 33.313 0.114 . 1 . . . . 21 ARG CB . 25381 1 207 . 1 1 20 20 ARG CD C 13 43.853 0.008 . 1 . . . . 21 ARG CD . 25381 1 208 . 1 1 20 20 ARG N N 15 117.844 0.015 . 1 . . . . 21 ARG N . 25381 1 209 . 1 1 21 21 VAL H H 1 7.306 0.011 . 1 . . . . 22 VAL H . 25381 1 210 . 1 1 21 21 VAL HA H 1 4.358 0.002 . 1 . . . . 22 VAL HA . 25381 1 211 . 1 1 21 21 VAL HB H 1 1.791 0.002 . 1 . . . . 22 VAL HB . 25381 1 212 . 1 1 21 21 VAL HG11 H 1 0.996 0.298 . 2 . . . . 22 VAL HG1 . 25381 1 213 . 1 1 21 21 VAL HG12 H 1 0.996 0.298 . 2 . . . . 22 VAL HG1 . 25381 1 214 . 1 1 21 21 VAL HG13 H 1 0.996 0.298 . 2 . . . . 22 VAL HG1 . 25381 1 215 . 1 1 21 21 VAL HG21 H 1 0.752 0 . 2 . . . . 22 VAL HG2 . 25381 1 216 . 1 1 21 21 VAL HG22 H 1 0.752 0 . 2 . . . . 22 VAL HG2 . 25381 1 217 . 1 1 21 21 VAL HG23 H 1 0.752 0 . 2 . . . . 22 VAL HG2 . 25381 1 218 . 1 1 21 21 VAL C C 13 173.302 0.012 . 1 . . . . 22 VAL C . 25381 1 219 . 1 1 21 21 VAL CA C 13 61.144 0.007 . 1 . . . . 22 VAL CA . 25381 1 220 . 1 1 21 21 VAL CB C 13 33.697 0.097 . 1 . . . . 22 VAL CB . 25381 1 221 . 1 1 21 21 VAL CG1 C 13 22.413 0.062 . 2 . . . . 22 VAL CG1 . 25381 1 222 . 1 1 21 21 VAL CG2 C 13 22.205 0.122 . 2 . . . . 22 VAL CG2 . 25381 1 223 . 1 1 21 21 VAL N N 15 119.997 0.051 . 1 . . . . 22 VAL N . 25381 1 224 . 1 1 22 22 ILE H H 1 8.115 0 . 1 . . . . 23 ILE H . 25381 1 225 . 1 1 22 22 ILE HA H 1 4.782 0.02 . 1 . . . . 23 ILE HA . 25381 1 226 . 1 1 22 22 ILE HB H 1 1.523 0.05 . 1 . . . . 23 ILE HB . 25381 1 227 . 1 1 22 22 ILE HG12 H 1 0.436 0.003 . 2 . . . . 23 ILE HG1 . 25381 1 228 . 1 1 22 22 ILE HG13 H 1 0.436 0.003 . 2 . . . . 23 ILE HG1 . 25381 1 229 . 1 1 22 22 ILE HG21 H 1 0.611 0.05 . 1 . . . . 23 ILE HG2 . 25381 1 230 . 1 1 22 22 ILE HG22 H 1 0.611 0.05 . 1 . . . . 23 ILE HG2 . 25381 1 231 . 1 1 22 22 ILE HG23 H 1 0.611 0.05 . 1 . . . . 23 ILE HG2 . 25381 1 232 . 1 1 22 22 ILE HD11 H 1 0.821 0.015 . 1 . . . . 23 ILE HD1 . 25381 1 233 . 1 1 22 22 ILE HD12 H 1 0.821 0.015 . 1 . . . . 23 ILE HD1 . 25381 1 234 . 1 1 22 22 ILE HD13 H 1 0.821 0.015 . 1 . . . . 23 ILE HD1 . 25381 1 235 . 1 1 22 22 ILE C C 13 172.762 0.035 . 1 . . . . 23 ILE C . 25381 1 236 . 1 1 22 22 ILE CA C 13 58.765 0.006 . 1 . . . . 23 ILE CA . 25381 1 237 . 1 1 22 22 ILE CB C 13 42.618 0.074 . 1 . . . . 23 ILE CB . 25381 1 238 . 1 1 22 22 ILE CG2 C 13 16.791 0.206 . 1 . . . . 23 ILE CG2 . 25381 1 239 . 1 1 22 22 ILE CD1 C 13 14.603 0 . 1 . . . . 23 ILE CD1 . 25381 1 240 . 1 1 22 22 ILE N N 15 116.971 0.044 . 1 . . . . 23 ILE N . 25381 1 241 . 1 1 23 23 ALA H H 1 8.439 0.056 . 1 . . . . 24 ALA H . 25381 1 242 . 1 1 23 23 ALA HA H 1 5.851 0.01 . 1 . . . . 24 ALA HA . 25381 1 243 . 1 1 23 23 ALA HB1 H 1 1.305 0.244 . 1 . . . . 24 ALA HB . 25381 1 244 . 1 1 23 23 ALA HB2 H 1 1.305 0.244 . 1 . . . . 24 ALA HB . 25381 1 245 . 1 1 23 23 ALA HB3 H 1 1.305 0.244 . 1 . . . . 24 ALA HB . 25381 1 246 . 1 1 23 23 ALA C C 13 175.197 0.013 . 1 . . . . 24 ALA C . 25381 1 247 . 1 1 23 23 ALA CA C 13 49.902 0.009 . 1 . . . . 24 ALA CA . 25381 1 248 . 1 1 23 23 ALA CB C 13 22.442 0.273 . 1 . . . . 24 ALA CB . 25381 1 249 . 1 1 23 23 ALA N N 15 123.094 0.053 . 1 . . . . 24 ALA N . 25381 1 250 . 1 1 24 24 TYR H H 1 8.491 0 . 1 . . . . 25 TYR H . 25381 1 251 . 1 1 24 24 TYR HA H 1 5.044 0 . 1 . . . . 25 TYR HA . 25381 1 252 . 1 1 24 24 TYR HB2 H 1 1.848 0 . 2 . . . . 25 TYR HB2 . 25381 1 253 . 1 1 24 24 TYR HB3 H 1 1.978 0 . 2 . . . . 25 TYR HB3 . 25381 1 254 . 1 1 24 24 TYR CA C 13 54.646 0.011 . 1 . . . . 25 TYR CA . 25381 1 255 . 1 1 24 24 TYR CB C 13 36.141 0.141 . 1 . . . . 25 TYR CB . 25381 1 256 . 1 1 24 24 TYR N N 15 117.844 0 . 1 . . . . 25 TYR N . 25381 1 257 . 1 1 25 25 PRO HA H 1 3.588 0 . 1 . . . . 26 PRO HA . 25381 1 258 . 1 1 25 25 PRO HB2 H 1 1.265 0 . 2 . . . . 26 PRO HB2 . 25381 1 259 . 1 1 25 25 PRO HB3 H 1 1.317 0 . 2 . . . . 26 PRO HB3 . 25381 1 260 . 1 1 25 25 PRO HG2 H 1 1.03 0 . 2 . . . . 26 PRO HG2 . 25381 1 261 . 1 1 25 25 PRO HG3 H 1 0.978 0.016 . 2 . . . . 26 PRO HG3 . 25381 1 262 . 1 1 25 25 PRO HD2 H 1 3.144 0 . 2 . . . . 26 PRO HD2 . 25381 1 263 . 1 1 25 25 PRO HD3 H 1 3.049 0 . 2 . . . . 26 PRO HD3 . 25381 1 264 . 1 1 25 25 PRO C C 13 172.404 0.249 . 1 . . . . 26 PRO C . 25381 1 265 . 1 1 25 25 PRO CA C 13 62.435 0.078 . 1 . . . . 26 PRO CA . 25381 1 266 . 1 1 25 25 PRO CB C 13 30.815 0 . 1 . . . . 26 PRO CB . 25381 1 267 . 1 1 25 25 PRO CD C 13 48.738 0.18 . 1 . . . . 26 PRO CD . 25381 1 268 . 1 1 26 26 THR H H 1 6.124 0.173 . 1 . . . . 27 THR H . 25381 1 269 . 1 1 26 26 THR HA H 1 3.892 0.023 . 1 . . . . 27 THR HA . 25381 1 270 . 1 1 26 26 THR HB H 1 4.204 0.003 . 1 . . . . 27 THR HB . 25381 1 271 . 1 1 26 26 THR HG21 H 1 0.786 0.15 . 1 . . . . 27 THR HG2 . 25381 1 272 . 1 1 26 26 THR HG22 H 1 0.786 0.15 . 1 . . . . 27 THR HG2 . 25381 1 273 . 1 1 26 26 THR HG23 H 1 0.786 0.15 . 1 . . . . 27 THR HG2 . 25381 1 274 . 1 1 26 26 THR C C 13 172.016 0.045 . 1 . . . . 27 THR C . 25381 1 275 . 1 1 26 26 THR CA C 13 60.004 0.005 . 1 . . . . 27 THR CA . 25381 1 276 . 1 1 26 26 THR CB C 13 69.546 0.128 . 1 . . . . 27 THR CB . 25381 1 277 . 1 1 26 26 THR CG2 C 13 23.666 0.021 . 1 . . . . 27 THR CG2 . 25381 1 278 . 1 1 26 26 THR N N 15 106.959 0.025 . 1 . . . . 27 THR N . 25381 1 279 . 1 1 27 27 GLU H H 1 10.237 0 . 1 . . . . 28 GLU H . 25381 1 280 . 1 1 27 27 GLU HB2 H 1 2.066 0 . 1 . . . . 28 GLU HB2 . 25381 1 281 . 1 1 27 27 GLU HB3 H 1 2.066 0 . 1 . . . . 28 GLU HB3 . 25381 1 282 . 1 1 27 27 GLU HG2 H 1 2.631 0 . 1 . . . . 28 GLU HG2 . 25381 1 283 . 1 1 27 27 GLU HG3 H 1 2.631 0 . 1 . . . . 28 GLU HG3 . 25381 1 284 . 1 1 27 27 GLU C C 13 174.617 0.013 . 1 . . . . 28 GLU C . 25381 1 285 . 1 1 27 27 GLU CB C 13 28.441 0.062 . 1 . . . . 28 GLU CB . 25381 1 286 . 1 1 27 27 GLU CG C 13 37.593 0.17 . 1 . . . . 28 GLU CG . 25381 1 287 . 1 1 27 27 GLU N N 15 122.315 0.015 . 1 . . . . 28 GLU N . 25381 1 288 . 1 1 28 28 ALA H H 1 8.934 0.02 . 1 . . . . 29 ALA H . 25381 1 289 . 1 1 28 28 ALA HA H 1 4.82 0.02 . 1 . . . . 29 ALA HA . 25381 1 290 . 1 1 28 28 ALA HB1 H 1 1.079 0.247 . 1 . . . . 29 ALA HB . 25381 1 291 . 1 1 28 28 ALA HB2 H 1 1.079 0.247 . 1 . . . . 29 ALA HB . 25381 1 292 . 1 1 28 28 ALA HB3 H 1 1.079 0.247 . 1 . . . . 29 ALA HB . 25381 1 293 . 1 1 28 28 ALA C C 13 175.465 0.024 . 1 . . . . 29 ALA C . 25381 1 294 . 1 1 28 28 ALA CA C 13 52.585 0.007 . 1 . . . . 29 ALA CA . 25381 1 295 . 1 1 28 28 ALA CB C 13 22.223 0.206 . 1 . . . . 29 ALA CB . 25381 1 296 . 1 1 28 28 ALA N N 15 119.826 0.068 . 1 . . . . 29 ALA N . 25381 1 297 . 1 1 29 29 VAL H H 1 7.409 0.124 . 1 . . . . 30 VAL H . 25381 1 298 . 1 1 29 29 VAL HA H 1 4.793 0 . 1 . . . . 30 VAL HA . 25381 1 299 . 1 1 29 29 VAL HB H 1 2.344 0.007 . 1 . . . . 30 VAL HB . 25381 1 300 . 1 1 29 29 VAL HG11 H 1 0.812 0.006 . 2 . . . . 30 VAL HG1 . 25381 1 301 . 1 1 29 29 VAL HG12 H 1 0.812 0.006 . 2 . . . . 30 VAL HG1 . 25381 1 302 . 1 1 29 29 VAL HG13 H 1 0.812 0.006 . 2 . . . . 30 VAL HG1 . 25381 1 303 . 1 1 29 29 VAL HG21 H 1 0.603 0 . 2 . . . . 30 VAL HG2 . 25381 1 304 . 1 1 29 29 VAL HG22 H 1 0.603 0 . 2 . . . . 30 VAL HG2 . 25381 1 305 . 1 1 29 29 VAL HG23 H 1 0.603 0 . 2 . . . . 30 VAL HG2 . 25381 1 306 . 1 1 29 29 VAL C C 13 175.765 0.006 . 1 . . . . 30 VAL C . 25381 1 307 . 1 1 29 29 VAL CA C 13 58.59 0.205 . 1 . . . . 30 VAL CA . 25381 1 308 . 1 1 29 29 VAL CB C 13 35.927 0.153 . 1 . . . . 30 VAL CB . 25381 1 309 . 1 1 29 29 VAL CG1 C 13 22.224 0.025 . 1 . . . . 30 VAL CG1 . 25381 1 310 . 1 1 29 29 VAL CG2 C 13 22.224 0.025 . 1 . . . . 30 VAL CG2 . 25381 1 311 . 1 1 29 29 VAL N N 15 109.492 0.036 . 1 . . . . 30 VAL N . 25381 1 312 . 1 1 30 30 PHE H H 1 9.269 0.042 . 1 . . . . 31 PHE H . 25381 1 313 . 1 1 30 30 PHE HA H 1 4.25 0.141 . 1 . . . . 31 PHE HA . 25381 1 314 . 1 1 30 30 PHE C C 13 173.267 0.003 . 1 . . . . 31 PHE C . 25381 1 315 . 1 1 30 30 PHE CA C 13 59.713 0.005 . 1 . . . . 31 PHE CA . 25381 1 316 . 1 1 30 30 PHE CB C 13 39.198 0.076 . 1 . . . . 31 PHE CB . 25381 1 317 . 1 1 30 30 PHE N N 15 124.493 0.028 . 1 . . . . 31 PHE N . 25381 1 318 . 1 1 31 31 GLY H H 1 9.239 0.122 . 1 . . . . 32 GLY H . 25381 1 319 . 1 1 31 31 GLY HA2 H 1 4.816 0.012 . 1 . . . . 32 GLY HA2 . 25381 1 320 . 1 1 31 31 GLY HA3 H 1 4.816 0.012 . 1 . . . . 32 GLY HA3 . 25381 1 321 . 1 1 31 31 GLY C C 13 171.892 0.009 . 1 . . . . 32 GLY C . 25381 1 322 . 1 1 31 31 GLY CA C 13 42.889 0.007 . 1 . . . . 32 GLY CA . 25381 1 323 . 1 1 31 31 GLY N N 15 111.549 0.026 . 1 . . . . 32 GLY N . 25381 1 324 . 1 1 32 32 VAL H H 1 8.642 0.02 . 1 . . . . 33 VAL H . 25381 1 325 . 1 1 32 32 VAL HA H 1 5.368 0.024 . 1 . . . . 33 VAL HA . 25381 1 326 . 1 1 32 32 VAL HB H 1 1.695 0.041 . 1 . . . . 33 VAL HB . 25381 1 327 . 1 1 32 32 VAL HG11 H 1 0.317 0 . 2 . . . . 33 VAL HG1 . 25381 1 328 . 1 1 32 32 VAL HG12 H 1 0.317 0 . 2 . . . . 33 VAL HG1 . 25381 1 329 . 1 1 32 32 VAL HG13 H 1 0.317 0 . 2 . . . . 33 VAL HG1 . 25381 1 330 . 1 1 32 32 VAL HG21 H 1 0.585 0.199 . 2 . . . . 33 VAL HG2 . 25381 1 331 . 1 1 32 32 VAL HG22 H 1 0.585 0.199 . 2 . . . . 33 VAL HG2 . 25381 1 332 . 1 1 32 32 VAL HG23 H 1 0.585 0.199 . 2 . . . . 33 VAL HG2 . 25381 1 333 . 1 1 32 32 VAL C C 13 173.984 0.013 . 1 . . . . 33 VAL C . 25381 1 334 . 1 1 32 32 VAL CA C 13 58.888 0.006 . 1 . . . . 33 VAL CA . 25381 1 335 . 1 1 32 32 VAL CB C 13 34.559 0.164 . 1 . . . . 33 VAL CB . 25381 1 336 . 1 1 32 32 VAL CG1 C 13 19.438 0.027 . 2 . . . . 33 VAL CG1 . 25381 1 337 . 1 1 32 32 VAL CG2 C 13 21.925 0.081 . 2 . . . . 33 VAL CG2 . 25381 1 338 . 1 1 32 32 VAL N N 15 112.436 0.058 . 1 . . . . 33 VAL N . 25381 1 339 . 1 1 33 33 GLY H H 1 8.77 0.135 . 1 . . . . 34 GLY H . 25381 1 340 . 1 1 33 33 GLY HA2 H 1 4.133 0.012 . 2 . . . . 34 GLY HA2 . 25381 1 341 . 1 1 33 33 GLY HA3 H 1 4.612 0.014 . 2 . . . . 34 GLY HA3 . 25381 1 342 . 1 1 33 33 GLY C C 13 169.405 0.008 . 1 . . . . 34 GLY C . 25381 1 343 . 1 1 33 33 GLY CA C 13 46.446 0.007 . 1 . . . . 34 GLY CA . 25381 1 344 . 1 1 33 33 GLY N N 15 106.139 0.101 . 1 . . . . 34 GLY N . 25381 1 345 . 1 1 34 34 CYS H H 1 6.97 0.002 . 1 . . . . 35 CYS H . 25381 1 346 . 1 1 34 34 CYS HA H 1 4.732 0.124 . 1 . . . . 35 CYS HA . 25381 1 347 . 1 1 34 34 CYS HB2 H 1 3.781 0 . 2 . . . . 35 CYS HB2 . 25381 1 348 . 1 1 34 34 CYS HB3 H 1 3.65 0 . 2 . . . . 35 CYS HB3 . 25381 1 349 . 1 1 34 34 CYS HG H 1 2.502 0 . 1 . . . . 35 CYS HG . 25381 1 350 . 1 1 34 34 CYS C C 13 169.522 0.017 . 1 . . . . 35 CYS C . 25381 1 351 . 1 1 34 34 CYS CA C 13 55.449 0.006 . 1 . . . . 35 CYS CA . 25381 1 352 . 1 1 34 34 CYS CB C 13 31.276 0.123 . 1 . . . . 35 CYS CB . 25381 1 353 . 1 1 34 34 CYS N N 15 111.171 0.009 . 1 . . . . 35 CYS N . 25381 1 354 . 1 1 35 35 ASP H H 1 8.649 0 . 1 . . . . 36 ASP H . 25381 1 355 . 1 1 35 35 ASP C C 13 173.912 0.028 . 1 . . . . 36 ASP C . 25381 1 356 . 1 1 35 35 ASP CA C 13 51.711 0.005 . 1 . . . . 36 ASP CA . 25381 1 357 . 1 1 35 35 ASP CB C 13 42.608 0.249 . 1 . . . . 36 ASP CB . 25381 1 358 . 1 1 35 35 ASP N N 15 122.294 0 . 1 . . . . 36 ASP N . 25381 1 359 . 1 1 36 36 PRO HA H 1 4.448 0 . 1 . . . . 37 PRO HA . 25381 1 360 . 1 1 36 36 PRO HB2 H 1 2.558 0 . 2 . . . . 37 PRO HB2 . 25381 1 361 . 1 1 36 36 PRO HB3 H 1 2.661 0.012 . 2 . . . . 37 PRO HB3 . 25381 1 362 . 1 1 36 36 PRO HG2 H 1 1.73 0.028 . 2 . . . . 37 PRO HG2 . 25381 1 363 . 1 1 36 36 PRO HG3 H 1 1.913 0 . 2 . . . . 37 PRO HG3 . 25381 1 364 . 1 1 36 36 PRO HD2 H 1 4.112 0.02 . 2 . . . . 37 PRO HD2 . 25381 1 365 . 1 1 36 36 PRO HD3 H 1 4.258 0 . 2 . . . . 37 PRO HD3 . 25381 1 366 . 1 1 36 36 PRO C C 13 175.124 0 . 1 . . . . 37 PRO C . 25381 1 367 . 1 1 36 36 PRO CA C 13 64.167 0.096 . 1 . . . . 37 PRO CA . 25381 1 368 . 1 1 36 36 PRO CB C 13 32.747 0.006 . 1 . . . . 37 PRO CB . 25381 1 369 . 1 1 36 36 PRO CG C 13 26.601 0 . 1 . . . . 37 PRO CG . 25381 1 370 . 1 1 36 36 PRO CD C 13 51.972 0.051 . 1 . . . . 37 PRO CD . 25381 1 371 . 1 1 37 37 ASP H H 1 8.264 0.028 . 1 . . . . 38 ASP H . 25381 1 372 . 1 1 37 37 ASP HA H 1 4.875 0.175 . 1 . . . . 38 ASP HA . 25381 1 373 . 1 1 37 37 ASP HB2 H 1 2.992 0 . 1 . . . . 38 ASP HB2 . 25381 1 374 . 1 1 37 37 ASP HB3 H 1 2.992 0 . 1 . . . . 38 ASP HB3 . 25381 1 375 . 1 1 37 37 ASP C C 13 174.513 0.02 . 1 . . . . 38 ASP C . 25381 1 376 . 1 1 37 37 ASP CA C 13 54.803 0.006 . 1 . . . . 38 ASP CA . 25381 1 377 . 1 1 37 37 ASP CB C 13 41.797 0.158 . 1 . . . . 38 ASP CB . 25381 1 378 . 1 1 37 37 ASP N N 15 115.438 0.03 . 1 . . . . 38 ASP N . 25381 1 379 . 1 1 38 38 SER H H 1 7.183 0.027 . 1 . . . . 39 SER H . 25381 1 380 . 1 1 38 38 SER HA H 1 4.644 0.065 . 1 . . . . 39 SER HA . 25381 1 381 . 1 1 38 38 SER HB2 H 1 3.925 0.006 . 2 . . . . 39 SER HB2 . 25381 1 382 . 1 1 38 38 SER HB3 H 1 3.755 0 . 2 . . . . 39 SER HB3 . 25381 1 383 . 1 1 38 38 SER C C 13 171.643 0.024 . 1 . . . . 39 SER C . 25381 1 384 . 1 1 38 38 SER CA C 13 55.128 0.005 . 1 . . . . 39 SER CA . 25381 1 385 . 1 1 38 38 SER CB C 13 62.124 0.248 . 1 . . . . 39 SER CB . 25381 1 386 . 1 1 38 38 SER N N 15 116.126 0 . 1 . . . . 39 SER N . 25381 1 387 . 1 1 39 39 GLU H H 1 8.418 0 . 1 . . . . 40 GLU H . 25381 1 388 . 1 1 39 39 GLU HB2 H 1 1.26 0 . 2 . . . . 40 GLU HB2 . 25381 1 389 . 1 1 39 39 GLU HG2 H 1 1.654 0 . 2 . . . . 40 GLU HG2 . 25381 1 390 . 1 1 39 39 GLU HG3 H 1 1.796 0 . 2 . . . . 40 GLU HG3 . 25381 1 391 . 1 1 39 39 GLU C C 13 176.461 0.031 . 1 . . . . 40 GLU C . 25381 1 392 . 1 1 39 39 GLU CA C 13 59.315 0.009 . 1 . . . . 40 GLU CA . 25381 1 393 . 1 1 39 39 GLU CB C 13 28.593 0.061 . 1 . . . . 40 GLU CB . 25381 1 394 . 1 1 39 39 GLU CG C 13 35.953 0.248 . 1 . . . . 40 GLU CG . 25381 1 395 . 1 1 39 39 GLU N N 15 133.762 0.025 . 1 . . . . 40 GLU N . 25381 1 396 . 1 1 40 40 THR H H 1 7.809 0.198 . 1 . . . . 41 THR H . 25381 1 397 . 1 1 40 40 THR HA H 1 3.485 0.011 . 1 . . . . 41 THR HA . 25381 1 398 . 1 1 40 40 THR HB H 1 3.662 0.003 . 1 . . . . 41 THR HB . 25381 1 399 . 1 1 40 40 THR HG21 H 1 0.978 0.05 . 1 . . . . 41 THR HG2 . 25381 1 400 . 1 1 40 40 THR HG22 H 1 0.978 0.05 . 1 . . . . 41 THR HG2 . 25381 1 401 . 1 1 40 40 THR HG23 H 1 0.978 0.05 . 1 . . . . 41 THR HG2 . 25381 1 402 . 1 1 40 40 THR C C 13 174.834 0.018 . 1 . . . . 41 THR C . 25381 1 403 . 1 1 40 40 THR CA C 13 66.112 0.008 . 1 . . . . 41 THR CA . 25381 1 404 . 1 1 40 40 THR CB C 13 68.691 0.082 . 1 . . . . 41 THR CB . 25381 1 405 . 1 1 40 40 THR CG2 C 13 20.977 0.035 . 1 . . . . 41 THR CG2 . 25381 1 406 . 1 1 40 40 THR N N 15 115.16 0.015 . 1 . . . . 41 THR N . 25381 1 407 . 1 1 41 41 ALA H H 1 8.513 0.002 . 1 . . . . 42 ALA H . 25381 1 408 . 1 1 41 41 ALA HA H 1 3.811 0.006 . 1 . . . . 42 ALA HA . 25381 1 409 . 1 1 41 41 ALA HB1 H 1 1.32 0.111 . 1 . . . . 42 ALA HB . 25381 1 410 . 1 1 41 41 ALA HB2 H 1 1.32 0.111 . 1 . . . . 42 ALA HB . 25381 1 411 . 1 1 41 41 ALA HB3 H 1 1.32 0.111 . 1 . . . . 42 ALA HB . 25381 1 412 . 1 1 41 41 ALA C C 13 177.238 0 . 1 . . . . 42 ALA C . 25381 1 413 . 1 1 41 41 ALA CA C 13 55.584 0.006 . 1 . . . . 42 ALA CA . 25381 1 414 . 1 1 41 41 ALA CB C 13 19.041 0.175 . 1 . . . . 42 ALA CB . 25381 1 415 . 1 1 41 41 ALA N N 15 127.352 0 . 1 . . . . 42 ALA N . 25381 1 416 . 1 1 42 42 VAL H H 1 8.072 0.002 . 1 . . . . 43 VAL H . 25381 1 417 . 1 1 42 42 VAL HA H 1 3.947 0.006 . 1 . . . . 43 VAL HA . 25381 1 418 . 1 1 42 42 VAL HB H 1 1.433 0.033 . 1 . . . . 43 VAL HB . 25381 1 419 . 1 1 42 42 VAL HG11 H 1 1.022 0.05 . 2 . . . . 43 VAL HG1 . 25381 1 420 . 1 1 42 42 VAL HG12 H 1 1.022 0.05 . 2 . . . . 43 VAL HG1 . 25381 1 421 . 1 1 42 42 VAL HG13 H 1 1.022 0.05 . 2 . . . . 43 VAL HG1 . 25381 1 422 . 1 1 42 42 VAL HG21 H 1 0.822 0.049 . 2 . . . . 43 VAL HG2 . 25381 1 423 . 1 1 42 42 VAL HG22 H 1 0.822 0.049 . 2 . . . . 43 VAL HG2 . 25381 1 424 . 1 1 42 42 VAL HG23 H 1 0.822 0.049 . 2 . . . . 43 VAL HG2 . 25381 1 425 . 1 1 42 42 VAL C C 13 177.114 0.045 . 1 . . . . 43 VAL C . 25381 1 426 . 1 1 42 42 VAL CA C 13 66.748 0.006 . 1 . . . . 43 VAL CA . 25381 1 427 . 1 1 42 42 VAL CB C 13 30.928 0.068 . 1 . . . . 43 VAL CB . 25381 1 428 . 1 1 42 42 VAL CG1 C 13 24.761 0.565 . 2 . . . . 43 VAL CG1 . 25381 1 429 . 1 1 42 42 VAL CG2 C 13 22.075 0.238 . 2 . . . . 43 VAL CG2 . 25381 1 430 . 1 1 42 42 VAL N N 15 119.488 0.031 . 1 . . . . 43 VAL N . 25381 1 431 . 1 1 43 43 MET H H 1 8.632 0.298 . 1 . . . . 44 MET H . 25381 1 432 . 1 1 43 43 MET HA H 1 4.343 0 . 1 . . . . 44 MET HA . 25381 1 433 . 1 1 43 43 MET HB2 H 1 1.872 0 . 2 . . . . 44 MET HB2 . 25381 1 434 . 1 1 43 43 MET HB3 H 1 2.095 0.15 . 2 . . . . 44 MET HB3 . 25381 1 435 . 1 1 43 43 MET HG2 H 1 2.598 0 . 2 . . . . 44 MET HG2 . 25381 1 436 . 1 1 43 43 MET HG3 H 1 2.722 0 . 2 . . . . 44 MET HG3 . 25381 1 437 . 1 1 43 43 MET C C 13 179.321 0.015 . 1 . . . . 44 MET C . 25381 1 438 . 1 1 43 43 MET CA C 13 57.535 0.006 . 1 . . . . 44 MET CA . 25381 1 439 . 1 1 43 43 MET CB C 13 29.601 0.076 . 1 . . . . 44 MET CB . 25381 1 440 . 1 1 43 43 MET CG C 13 32.222 0.037 . 1 . . . . 44 MET CG . 25381 1 441 . 1 1 43 43 MET N N 15 119.188 0 . 1 . . . . 44 MET N . 25381 1 442 . 1 1 44 44 ARG H H 1 7.895 0 . 1 . . . . 45 ARG H . 25381 1 443 . 1 1 44 44 ARG HA H 1 4.085 0 . 1 . . . . 45 ARG HA . 25381 1 444 . 1 1 44 44 ARG HB2 H 1 1.85 0 . 2 . . . . 45 ARG HB2 . 25381 1 445 . 1 1 44 44 ARG HB3 H 1 1.51 0 . 2 . . . . 45 ARG HB3 . 25381 1 446 . 1 1 44 44 ARG HG2 H 1 1.64 0 . 1 . . . . 45 ARG HG2 . 25381 1 447 . 1 1 44 44 ARG HG3 H 1 1.64 0 . 1 . . . . 45 ARG HG3 . 25381 1 448 . 1 1 44 44 ARG HD2 H 1 3.236 0 . 2 . . . . 45 ARG HD2 . 25381 1 449 . 1 1 44 44 ARG HD3 H 1 3.044 0 . 2 . . . . 45 ARG HD3 . 25381 1 450 . 1 1 44 44 ARG C C 13 178.077 0.003 . 1 . . . . 45 ARG C . 25381 1 451 . 1 1 44 44 ARG CA C 13 59.984 0.01 . 1 . . . . 45 ARG CA . 25381 1 452 . 1 1 44 44 ARG CB C 13 29.426 0.104 . 1 . . . . 45 ARG CB . 25381 1 453 . 1 1 44 44 ARG CG C 13 27.795 0.281 . 1 . . . . 45 ARG CG . 25381 1 454 . 1 1 44 44 ARG CD C 13 43.612 0 . 1 . . . . 45 ARG CD . 25381 1 455 . 1 1 44 44 ARG N N 15 123.343 0 . 1 . . . . 45 ARG N . 25381 1 456 . 1 1 45 45 LEU H H 1 8.337 0.063 . 1 . . . . 46 LEU H . 25381 1 457 . 1 1 45 45 LEU HA H 1 3.878 0 . 1 . . . . 46 LEU HA . 25381 1 458 . 1 1 45 45 LEU HB2 H 1 1.421 0 . 2 . . . . 46 LEU HB2 . 25381 1 459 . 1 1 45 45 LEU HB3 H 1 1.417 0 . 2 . . . . 46 LEU HB3 . 25381 1 460 . 1 1 45 45 LEU HG H 1 2.087 0.003 . 1 . . . . 46 LEU HG . 25381 1 461 . 1 1 45 45 LEU HD11 H 1 0.809 0 . 2 . . . . 46 LEU HD1 . 25381 1 462 . 1 1 45 45 LEU HD12 H 1 0.809 0 . 2 . . . . 46 LEU HD1 . 25381 1 463 . 1 1 45 45 LEU HD13 H 1 0.809 0 . 2 . . . . 46 LEU HD1 . 25381 1 464 . 1 1 45 45 LEU HD21 H 1 0.661 0 . 2 . . . . 46 LEU HD2 . 25381 1 465 . 1 1 45 45 LEU HD22 H 1 0.661 0 . 2 . . . . 46 LEU HD2 . 25381 1 466 . 1 1 45 45 LEU HD23 H 1 0.661 0 . 2 . . . . 46 LEU HD2 . 25381 1 467 . 1 1 45 45 LEU C C 13 176.844 0.021 . 1 . . . . 46 LEU C . 25381 1 468 . 1 1 45 45 LEU CA C 13 59.415 0.01 . 1 . . . . 46 LEU CA . 25381 1 469 . 1 1 45 45 LEU CB C 13 41.523 0.058 . 1 . . . . 46 LEU CB . 25381 1 470 . 1 1 45 45 LEU CG C 13 27.702 0.072 . 1 . . . . 46 LEU CG . 25381 1 471 . 1 1 45 45 LEU CD1 C 13 24.015 0.03 . 2 . . . . 46 LEU CD1 . 25381 1 472 . 1 1 45 45 LEU CD2 C 13 26.108 0.137 . 2 . . . . 46 LEU CD2 . 25381 1 473 . 1 1 45 45 LEU N N 15 126.501 0.081 . 1 . . . . 46 LEU N . 25381 1 474 . 1 1 46 46 LEU H H 1 9.058 0 . 1 . . . . 47 LEU H . 25381 1 475 . 1 1 46 46 LEU HA H 1 3.872 0 . 1 . . . . 47 LEU HA . 25381 1 476 . 1 1 46 46 LEU HB2 H 1 1.609 0.05 . 2 . . . . 47 LEU HB2 . 25381 1 477 . 1 1 46 46 LEU HB3 H 1 1.47 0.006 . 2 . . . . 47 LEU HB3 . 25381 1 478 . 1 1 46 46 LEU HG H 1 2.071 0.149 . 1 . . . . 47 LEU HG . 25381 1 479 . 1 1 46 46 LEU HD11 H 1 0.987 0.011 . 2 . . . . 47 LEU HD1 . 25381 1 480 . 1 1 46 46 LEU HD12 H 1 0.987 0.011 . 2 . . . . 47 LEU HD1 . 25381 1 481 . 1 1 46 46 LEU HD13 H 1 0.987 0.011 . 2 . . . . 47 LEU HD1 . 25381 1 482 . 1 1 46 46 LEU HD21 H 1 0.812 0.011 . 2 . . . . 47 LEU HD2 . 25381 1 483 . 1 1 46 46 LEU HD22 H 1 0.812 0.011 . 2 . . . . 47 LEU HD2 . 25381 1 484 . 1 1 46 46 LEU HD23 H 1 0.812 0.011 . 2 . . . . 47 LEU HD2 . 25381 1 485 . 1 1 46 46 LEU C C 13 178.703 0.01 . 1 . . . . 47 LEU C . 25381 1 486 . 1 1 46 46 LEU CA C 13 58.419 0.006 . 1 . . . . 47 LEU CA . 25381 1 487 . 1 1 46 46 LEU CB C 13 39.694 0.059 . 1 . . . . 47 LEU CB . 25381 1 488 . 1 1 46 46 LEU CG C 13 26.253 0.078 . 1 . . . . 47 LEU CG . 25381 1 489 . 1 1 46 46 LEU CD1 C 13 22.97 0.006 . 1 . . . . 47 LEU CD1 . 25381 1 490 . 1 1 46 46 LEU CD2 C 13 22.97 0.006 . 1 . . . . 47 LEU CD2 . 25381 1 491 . 1 1 46 46 LEU N N 15 121.23 0.041 . 1 . . . . 47 LEU N . 25381 1 492 . 1 1 47 47 GLU H H 1 8.227 0.104 . 1 . . . . 48 GLU H . 25381 1 493 . 1 1 47 47 GLU HA H 1 4.068 0 . 1 . . . . 48 GLU HA . 25381 1 494 . 1 1 47 47 GLU HB2 H 1 2.02 0.02 . 2 . . . . 48 GLU HB2 . 25381 1 495 . 1 1 47 47 GLU HB3 H 1 2.109 0 . 2 . . . . 48 GLU HB3 . 25381 1 496 . 1 1 47 47 GLU HG2 H 1 2.406 0.016 . 2 . . . . 48 GLU HG2 . 25381 1 497 . 1 1 47 47 GLU HG3 H 1 2.283 0 . 2 . . . . 48 GLU HG3 . 25381 1 498 . 1 1 47 47 GLU C C 13 178.367 0.009 . 1 . . . . 48 GLU C . 25381 1 499 . 1 1 47 47 GLU CA C 13 59.087 0.007 . 1 . . . . 48 GLU CA . 25381 1 500 . 1 1 47 47 GLU CB C 13 29.436 0.181 . 1 . . . . 48 GLU CB . 25381 1 501 . 1 1 47 47 GLU CG C 13 36.152 0.011 . 1 . . . . 48 GLU CG . 25381 1 502 . 1 1 47 47 GLU N N 15 121.525 0.053 . 1 . . . . 48 GLU N . 25381 1 503 . 1 1 48 48 LEU H H 1 7.939 0.38 . 1 . . . . 49 LEU H . 25381 1 504 . 1 1 48 48 LEU HA H 1 4.116 0.056 . 1 . . . . 49 LEU HA . 25381 1 505 . 1 1 48 48 LEU HB2 H 1 1.256 0 . 2 . . . . 49 LEU HB2 . 25381 1 506 . 1 1 48 48 LEU HB3 H 1 1.216 0 . 2 . . . . 49 LEU HB3 . 25381 1 507 . 1 1 48 48 LEU HG H 1 1.909 0 . 1 . . . . 49 LEU HG . 25381 1 508 . 1 1 48 48 LEU HD11 H 1 0.928 0 . 2 . . . . 49 LEU HD1 . 25381 1 509 . 1 1 48 48 LEU HD12 H 1 0.928 0 . 2 . . . . 49 LEU HD1 . 25381 1 510 . 1 1 48 48 LEU HD13 H 1 0.928 0 . 2 . . . . 49 LEU HD1 . 25381 1 511 . 1 1 48 48 LEU HD21 H 1 0.999 0.05 . 2 . . . . 49 LEU HD2 . 25381 1 512 . 1 1 48 48 LEU HD22 H 1 0.999 0.05 . 2 . . . . 49 LEU HD2 . 25381 1 513 . 1 1 48 48 LEU HD23 H 1 0.999 0.05 . 2 . . . . 49 LEU HD2 . 25381 1 514 . 1 1 48 48 LEU C C 13 177.466 0 . 1 . . . . 49 LEU C . 25381 1 515 . 1 1 48 48 LEU CA C 13 57.929 0.005 . 1 . . . . 49 LEU CA . 25381 1 516 . 1 1 48 48 LEU CB C 13 42.643 0.095 . 1 . . . . 49 LEU CB . 25381 1 517 . 1 1 48 48 LEU CG C 13 26.554 0.297 . 1 . . . . 49 LEU CG . 25381 1 518 . 1 1 48 48 LEU CD1 C 13 25.258 0.006 . 2 . . . . 49 LEU CD1 . 25381 1 519 . 1 1 48 48 LEU CD2 C 13 23.915 0.173 . 2 . . . . 49 LEU CD2 . 25381 1 520 . 1 1 48 48 LEU N N 15 123.333 0.015 . 1 . . . . 49 LEU N . 25381 1 521 . 1 1 49 49 LYS H H 1 7.746 0.055 . 1 . . . . 50 LYS H . 25381 1 522 . 1 1 49 49 LYS HA H 1 4.051 0.024 . 1 . . . . 50 LYS HA . 25381 1 523 . 1 1 49 49 LYS HB2 H 1 1.977 0.003 . 2 . . . . 50 LYS HB2 . 25381 1 524 . 1 1 49 49 LYS HB3 H 1 2.027 0.02 . 2 . . . . 50 LYS HB3 . 25381 1 525 . 1 1 49 49 LYS HG2 H 1 0.821 0 . 2 . . . . 50 LYS HG2 . 25381 1 526 . 1 1 49 49 LYS HG3 H 1 1.118 0 . 2 . . . . 50 LYS HG3 . 25381 1 527 . 1 1 49 49 LYS HD2 H 1 1.55 0.026 . 2 . . . . 50 LYS HD2 . 25381 1 528 . 1 1 49 49 LYS HD3 H 1 1.739 0.024 . 2 . . . . 50 LYS HD3 . 25381 1 529 . 1 1 49 49 LYS HE2 H 1 3.118 0.011 . 2 . . . . 50 LYS HE2 . 25381 1 530 . 1 1 49 49 LYS HE3 H 1 3.258 0 . 2 . . . . 50 LYS HE3 . 25381 1 531 . 1 1 49 49 LYS C C 13 173.967 0.013 . 1 . . . . 50 LYS C . 25381 1 532 . 1 1 49 49 LYS CA C 13 55.96 0.008 . 1 . . . . 50 LYS CA . 25381 1 533 . 1 1 49 49 LYS CB C 13 31.615 0.22 . 1 . . . . 50 LYS CB . 25381 1 534 . 1 1 49 49 LYS CE C 13 40.729 0.183 . 1 . . . . 50 LYS CE . 25381 1 535 . 1 1 49 49 LYS N N 15 114.639 0.083 . 1 . . . . 50 LYS N . 25381 1 536 . 1 1 50 50 GLN H H 1 8.057 0.095 . 1 . . . . 51 GLN H . 25381 1 537 . 1 1 50 50 GLN HA H 1 4.579 0.029 . 1 . . . . 51 GLN HA . 25381 1 538 . 1 1 50 50 GLN HB2 H 1 2.141 0.028 . 2 . . . . 51 GLN HB2 . 25381 1 539 . 1 1 50 50 GLN HB3 H 1 2.316 0.05 . 2 . . . . 51 GLN HB3 . 25381 1 540 . 1 1 50 50 GLN C C 13 173.267 0.03 . 1 . . . . 51 GLN C . 25381 1 541 . 1 1 50 50 GLN CA C 13 56.828 0.009 . 1 . . . . 51 GLN CA . 25381 1 542 . 1 1 50 50 GLN CB C 13 26.439 0.434 . 1 . . . . 51 GLN CB . 25381 1 543 . 1 1 50 50 GLN CG C 13 34.312 0.003 . 1 . . . . 51 GLN CG . 25381 1 544 . 1 1 50 50 GLN N N 15 120.082 0.028 . 1 . . . . 51 GLN N . 25381 1 545 . 1 1 51 51 ARG H H 1 8.146 0 . 1 . . . . 52 ARG H . 25381 1 546 . 1 1 51 51 ARG HA H 1 4.951 0 . 1 . . . . 52 ARG HA . 25381 1 547 . 1 1 51 51 ARG HB2 H 1 1.526 0 . 2 . . . . 52 ARG HB2 . 25381 1 548 . 1 1 51 51 ARG HB3 H 1 1.62 0 . 2 . . . . 52 ARG HB3 . 25381 1 549 . 1 1 51 51 ARG C C 13 172.109 0.028 . 1 . . . . 52 ARG C . 25381 1 550 . 1 1 51 51 ARG CA C 13 52.358 0.01 . 1 . . . . 52 ARG CA . 25381 1 551 . 1 1 51 51 ARG CB C 13 34.449 0.05 . 1 . . . . 52 ARG CB . 25381 1 552 . 1 1 51 51 ARG N N 15 123.269 0 . 1 . . . . 52 ARG N . 25381 1 553 . 1 1 52 52 PRO HA H 1 3.942 0 . 1 . . . . 53 PRO HA . 25381 1 554 . 1 1 52 52 PRO HB2 H 1 2.171 0.199 . 2 . . . . 53 PRO HB2 . 25381 1 555 . 1 1 52 52 PRO HB3 H 1 2.376 0.181 . 2 . . . . 53 PRO HB3 . 25381 1 556 . 1 1 52 52 PRO HG2 H 1 2.193 0 . 2 . . . . 53 PRO HG2 . 25381 1 557 . 1 1 52 52 PRO HG3 H 1 2.025 0.032 . 2 . . . . 53 PRO HG3 . 25381 1 558 . 1 1 52 52 PRO HD2 H 1 3.5 0 . 2 . . . . 53 PRO HD2 . 25381 1 559 . 1 1 52 52 PRO HD3 H 1 3.542 0.019 . 2 . . . . 53 PRO HD3 . 25381 1 560 . 1 1 52 52 PRO C C 13 177.456 0.037 . 1 . . . . 53 PRO C . 25381 1 561 . 1 1 52 52 PRO CA C 13 62.416 0.071 . 1 . . . . 53 PRO CA . 25381 1 562 . 1 1 52 52 PRO CB C 13 32.547 0.028 . 1 . . . . 53 PRO CB . 25381 1 563 . 1 1 52 52 PRO CG C 13 27.696 0.13 . 1 . . . . 53 PRO CG . 25381 1 564 . 1 1 52 52 PRO CD C 13 51.139 0.045 . 1 . . . . 53 PRO CD . 25381 1 565 . 1 1 53 53 VAL H H 1 8.871 0.012 . 1 . . . . 54 VAL H . 25381 1 566 . 1 1 53 53 VAL HA H 1 4.732 0.015 . 1 . . . . 54 VAL HA . 25381 1 567 . 1 1 53 53 VAL HB H 1 2.053 0.006 . 1 . . . . 54 VAL HB . 25381 1 568 . 1 1 53 53 VAL HG11 H 1 0.908 0.149 . 2 . . . . 54 VAL HG1 . 25381 1 569 . 1 1 53 53 VAL HG12 H 1 0.908 0.149 . 2 . . . . 54 VAL HG1 . 25381 1 570 . 1 1 53 53 VAL HG13 H 1 0.908 0.149 . 2 . . . . 54 VAL HG1 . 25381 1 571 . 1 1 53 53 VAL HG21 H 1 1.11 0.1 . 2 . . . . 54 VAL HG2 . 25381 1 572 . 1 1 53 53 VAL HG22 H 1 1.11 0.1 . 2 . . . . 54 VAL HG2 . 25381 1 573 . 1 1 53 53 VAL HG23 H 1 1.11 0.1 . 2 . . . . 54 VAL HG2 . 25381 1 574 . 1 1 53 53 VAL C C 13 174.627 0.007 . 1 . . . . 54 VAL C . 25381 1 575 . 1 1 53 53 VAL CA C 13 63.252 0.006 . 1 . . . . 54 VAL CA . 25381 1 576 . 1 1 53 53 VAL CB C 13 32.246 0.109 . 1 . . . . 54 VAL CB . 25381 1 577 . 1 1 53 53 VAL CG1 C 13 21.776 0 . 2 . . . . 54 VAL CG1 . 25381 1 578 . 1 1 53 53 VAL CG2 C 13 19.139 0.135 . 2 . . . . 54 VAL CG2 . 25381 1 579 . 1 1 53 53 VAL N N 15 125.681 0.051 . 1 . . . . 54 VAL N . 25381 1 580 . 1 1 54 54 ASP H H 1 8.063 0.028 . 1 . . . . 55 ASP H . 25381 1 581 . 1 1 54 54 ASP HA H 1 4.257 0.2 . 1 . . . . 55 ASP HA . 25381 1 582 . 1 1 54 54 ASP HB2 H 1 2.418 0 . 2 . . . . 55 ASP HB2 . 25381 1 583 . 1 1 54 54 ASP HB3 H 1 2.513 0 . 2 . . . . 55 ASP HB3 . 25381 1 584 . 1 1 54 54 ASP C C 13 176.255 0.031 . 1 . . . . 55 ASP C . 25381 1 585 . 1 1 54 54 ASP CA C 13 55.477 0.008 . 1 . . . . 55 ASP CA . 25381 1 586 . 1 1 54 54 ASP CB C 13 41.176 0.173 . 1 . . . . 55 ASP CB . 25381 1 587 . 1 1 54 54 ASP N N 15 117.827 0.012 . 1 . . . . 55 ASP N . 25381 1 588 . 1 1 55 55 LYS H H 1 7.071 0 . 1 . . . . 56 LYS H . 25381 1 589 . 1 1 55 55 LYS HA H 1 4.261 0.05 . 1 . . . . 56 LYS HA . 25381 1 590 . 1 1 55 55 LYS HB2 H 1 2.011 0 . 2 . . . . 56 LYS HB2 . 25381 1 591 . 1 1 55 55 LYS HB3 H 1 1.907 0 . 2 . . . . 56 LYS HB3 . 25381 1 592 . 1 1 55 55 LYS HD2 H 1 1.628 0 . 2 . . . . 56 LYS HD2 . 25381 1 593 . 1 1 55 55 LYS HD3 H 1 1.505 0 . 2 . . . . 56 LYS HD3 . 25381 1 594 . 1 1 55 55 LYS HE2 H 1 2.939 0 . 2 . . . . 56 LYS HE2 . 25381 1 595 . 1 1 55 55 LYS HE3 H 1 3.046 0 . 2 . . . . 56 LYS HE3 . 25381 1 596 . 1 1 55 55 LYS C C 13 176.149 0.019 . 1 . . . . 56 LYS C . 25381 1 597 . 1 1 55 55 LYS CA C 13 59.494 0.007 . 1 . . . . 56 LYS CA . 25381 1 598 . 1 1 55 55 LYS CB C 13 32.755 0.185 . 1 . . . . 56 LYS CB . 25381 1 599 . 1 1 55 55 LYS CG C 13 25.853 0 . 1 . . . . 56 LYS CG . 25381 1 600 . 1 1 55 55 LYS CD C 13 28.89 0.012 . 1 . . . . 56 LYS CD . 25381 1 601 . 1 1 55 55 LYS CE C 13 41.722 0.171 . 1 . . . . 56 LYS CE . 25381 1 602 . 1 1 55 55 LYS N N 15 119.33 0.047 . 1 . . . . 56 LYS N . 25381 1 603 . 1 1 56 56 GLY H H 1 7.078 0.114 . 1 . . . . 57 GLY H . 25381 1 604 . 1 1 56 56 GLY HA2 H 1 3.744 0.02 . 2 . . . . 57 GLY HA2 . 25381 1 605 . 1 1 56 56 GLY HA3 H 1 4.169 0.019 . 2 . . . . 57 GLY HA3 . 25381 1 606 . 1 1 56 56 GLY C C 13 170.742 0.012 . 1 . . . . 57 GLY C . 25381 1 607 . 1 1 56 56 GLY CA C 13 43.946 0.007 . 1 . . . . 57 GLY CA . 25381 1 608 . 1 1 56 56 GLY N N 15 107.729 0.044 . 1 . . . . 57 GLY N . 25381 1 609 . 1 1 57 57 LEU H H 1 8.558 0 . 1 . . . . 58 LEU H . 25381 1 610 . 1 1 57 57 LEU HA H 1 4.798 0.002 . 1 . . . . 58 LEU HA . 25381 1 611 . 1 1 57 57 LEU HG H 1 1.645 0 . 1 . . . . 58 LEU HG . 25381 1 612 . 1 1 57 57 LEU HD11 H 1 0.841 0 . 2 . . . . 58 LEU HD1 . 25381 1 613 . 1 1 57 57 LEU HD12 H 1 0.841 0 . 2 . . . . 58 LEU HD1 . 25381 1 614 . 1 1 57 57 LEU HD13 H 1 0.841 0 . 2 . . . . 58 LEU HD1 . 25381 1 615 . 1 1 57 57 LEU HD21 H 1 1.068 0 . 2 . . . . 58 LEU HD2 . 25381 1 616 . 1 1 57 57 LEU HD22 H 1 1.068 0 . 2 . . . . 58 LEU HD2 . 25381 1 617 . 1 1 57 57 LEU HD23 H 1 1.068 0 . 2 . . . . 58 LEU HD2 . 25381 1 618 . 1 1 57 57 LEU C C 13 173.446 0.026 . 1 . . . . 58 LEU C . 25381 1 619 . 1 1 57 57 LEU CA C 13 53.591 0.006 . 1 . . . . 58 LEU CA . 25381 1 620 . 1 1 57 57 LEU CB C 13 47.742 0.163 . 1 . . . . 58 LEU CB . 25381 1 621 . 1 1 57 57 LEU CG C 13 26.999 0.093 . 1 . . . . 58 LEU CG . 25381 1 622 . 1 1 57 57 LEU CD1 C 13 22.224 0.031 . 1 . . . . 58 LEU CD1 . 25381 1 623 . 1 1 57 57 LEU CD2 C 13 22.224 0.031 . 1 . . . . 58 LEU CD2 . 25381 1 624 . 1 1 57 57 LEU N N 15 121.988 0.067 . 1 . . . . 58 LEU N . 25381 1 625 . 1 1 58 58 ILE H H 1 7.588 0.02 . 1 . . . . 59 ILE H . 25381 1 626 . 1 1 58 58 ILE HA H 1 4.754 0.099 . 1 . . . . 59 ILE HA . 25381 1 627 . 1 1 58 58 ILE HB H 1 1.844 0 . 1 . . . . 59 ILE HB . 25381 1 628 . 1 1 58 58 ILE HG12 H 1 0.821 0.003 . 2 . . . . 59 ILE HG1 . 25381 1 629 . 1 1 58 58 ILE HG13 H 1 0.821 0.003 . 2 . . . . 59 ILE HG1 . 25381 1 630 . 1 1 58 58 ILE HG21 H 1 0.629 0 . 1 . . . . 59 ILE HG2 . 25381 1 631 . 1 1 58 58 ILE HG22 H 1 0.629 0 . 1 . . . . 59 ILE HG2 . 25381 1 632 . 1 1 58 58 ILE HG23 H 1 0.629 0 . 1 . . . . 59 ILE HG2 . 25381 1 633 . 1 1 58 58 ILE C C 13 175.134 0.018 . 1 . . . . 59 ILE C . 25381 1 634 . 1 1 58 58 ILE CA C 13 59.809 0.008 . 1 . . . . 59 ILE CA . 25381 1 635 . 1 1 58 58 ILE CB C 13 33.35 0.111 . 1 . . . . 59 ILE CB . 25381 1 636 . 1 1 58 58 ILE CG1 C 13 30.581 0 . 1 . . . . 59 ILE CG1 . 25381 1 637 . 1 1 58 58 ILE CG2 C 13 17.349 0.011 . 1 . . . . 59 ILE CG2 . 25381 1 638 . 1 1 58 58 ILE CD1 C 13 14.264 0.038 . 1 . . . . 59 ILE CD1 . 25381 1 639 . 1 1 58 58 ILE N N 15 121.051 0.039 . 1 . . . . 59 ILE N . 25381 1 640 . 1 1 59 59 LEU H H 1 8.085 0 . 1 . . . . 60 LEU H . 25381 1 641 . 1 1 59 59 LEU HA H 1 5.149 0 . 1 . . . . 60 LEU HA . 25381 1 642 . 1 1 59 59 LEU HB2 H 1 1.482 0.015 . 2 . . . . 60 LEU HB2 . 25381 1 643 . 1 1 59 59 LEU HB3 H 1 1.365 0.002 . 2 . . . . 60 LEU HB3 . 25381 1 644 . 1 1 59 59 LEU HD11 H 1 0.104 0.1 . 2 . . . . 60 LEU HD1 . 25381 1 645 . 1 1 59 59 LEU HD12 H 1 0.104 0.1 . 2 . . . . 60 LEU HD1 . 25381 1 646 . 1 1 59 59 LEU HD13 H 1 0.104 0.1 . 2 . . . . 60 LEU HD1 . 25381 1 647 . 1 1 59 59 LEU HD21 H 1 0.397 0 . 2 . . . . 60 LEU HD2 . 25381 1 648 . 1 1 59 59 LEU HD22 H 1 0.397 0 . 2 . . . . 60 LEU HD2 . 25381 1 649 . 1 1 59 59 LEU HD23 H 1 0.397 0 . 2 . . . . 60 LEU HD2 . 25381 1 650 . 1 1 59 59 LEU C C 13 173.283 0 . 1 . . . . 60 LEU C . 25381 1 651 . 1 1 59 59 LEU CA C 13 53.068 0.006 . 1 . . . . 60 LEU CA . 25381 1 652 . 1 1 59 59 LEU CB C 13 44.011 0.101 . 1 . . . . 60 LEU CB . 25381 1 653 . 1 1 59 59 LEU CG C 13 25.112 0 . 1 . . . . 60 LEU CG . 25381 1 654 . 1 1 59 59 LEU CD1 C 13 23.218 0.028 . 2 . . . . 60 LEU CD1 . 25381 1 655 . 1 1 59 59 LEU CD2 C 13 21.618 0.12 . 2 . . . . 60 LEU CD2 . 25381 1 656 . 1 1 59 59 LEU N N 15 123.383 0.043 . 1 . . . . 60 LEU N . 25381 1 657 . 1 1 60 60 ILE H H 1 9.22 0 . 1 . . . . 61 ILE H . 25381 1 658 . 1 1 60 60 ILE HA H 1 5.325 0 . 1 . . . . 61 ILE HA . 25381 1 659 . 1 1 60 60 ILE HB H 1 1.381 0 . 1 . . . . 61 ILE HB . 25381 1 660 . 1 1 60 60 ILE HG12 H 1 0.981 0 . 2 . . . . 61 ILE HG1 . 25381 1 661 . 1 1 60 60 ILE HG13 H 1 0.981 0 . 2 . . . . 61 ILE HG1 . 25381 1 662 . 1 1 60 60 ILE HG21 H 1 0.824 0.05 . 1 . . . . 61 ILE HG2 . 25381 1 663 . 1 1 60 60 ILE HG22 H 1 0.824 0.05 . 1 . . . . 61 ILE HG2 . 25381 1 664 . 1 1 60 60 ILE HG23 H 1 0.824 0.05 . 1 . . . . 61 ILE HG2 . 25381 1 665 . 1 1 60 60 ILE C C 13 171.26 0.005 . 1 . . . . 61 ILE C . 25381 1 666 . 1 1 60 60 ILE CA C 13 58.623 0.009 . 1 . . . . 61 ILE CA . 25381 1 667 . 1 1 60 60 ILE CB C 13 43.049 0.047 . 1 . . . . 61 ILE CB . 25381 1 668 . 1 1 60 60 ILE CG1 C 13 28.79 0.122 . 1 . . . . 61 ILE CG1 . 25381 1 669 . 1 1 60 60 ILE CG2 C 13 16.055 0.049 . 1 . . . . 61 ILE CG2 . 25381 1 670 . 1 1 60 60 ILE CD1 C 13 14.413 0.028 . 1 . . . . 61 ILE CD1 . 25381 1 671 . 1 1 60 60 ILE N N 15 124.485 0.029 . 1 . . . . 61 ILE N . 25381 1 672 . 1 1 61 61 ALA H H 1 8.15 0.044 . 1 . . . . 62 ALA H . 25381 1 673 . 1 1 61 61 ALA HA H 1 5.169 0.029 . 1 . . . . 62 ALA HA . 25381 1 674 . 1 1 61 61 ALA HB1 H 1 1.322 0.178 . 1 . . . . 62 ALA HB . 25381 1 675 . 1 1 61 61 ALA HB2 H 1 1.322 0.178 . 1 . . . . 62 ALA HB . 25381 1 676 . 1 1 61 61 ALA HB3 H 1 1.322 0.178 . 1 . . . . 62 ALA HB . 25381 1 677 . 1 1 61 61 ALA C C 13 174.244 0.007 . 1 . . . . 62 ALA C . 25381 1 678 . 1 1 61 61 ALA CA C 13 50.801 0.008 . 1 . . . . 62 ALA CA . 25381 1 679 . 1 1 61 61 ALA CB C 13 24.61 0.278 . 1 . . . . 62 ALA CB . 25381 1 680 . 1 1 61 61 ALA N N 15 125.122 0.064 . 1 . . . . 62 ALA N . 25381 1 681 . 1 1 62 62 ALA H H 1 7.854 0.02 . 1 . . . . 63 ALA H . 25381 1 682 . 1 1 62 62 ALA HA H 1 4.133 0.032 . 1 . . . . 63 ALA HA . 25381 1 683 . 1 1 62 62 ALA HB1 H 1 1.351 0.069 . 1 . . . . 63 ALA HB . 25381 1 684 . 1 1 62 62 ALA HB2 H 1 1.351 0.069 . 1 . . . . 63 ALA HB . 25381 1 685 . 1 1 62 62 ALA HB3 H 1 1.351 0.069 . 1 . . . . 63 ALA HB . 25381 1 686 . 1 1 62 62 ALA C C 13 175.974 0.022 . 1 . . . . 63 ALA C . 25381 1 687 . 1 1 62 62 ALA CA C 13 52.642 0.006 . 1 . . . . 63 ALA CA . 25381 1 688 . 1 1 62 62 ALA CB C 13 21.447 0.217 . 1 . . . . 63 ALA CB . 25381 1 689 . 1 1 62 62 ALA N N 15 118.365 0.015 . 1 . . . . 63 ALA N . 25381 1 690 . 1 1 63 63 ASN H H 1 7.219 0.022 . 1 . . . . 64 ASN H . 25381 1 691 . 1 1 63 63 ASN HA H 1 4.41 0.173 . 1 . . . . 64 ASN HA . 25381 1 692 . 1 1 63 63 ASN C C 13 172.472 0.005 . 1 . . . . 64 ASN C . 25381 1 693 . 1 1 63 63 ASN CA C 13 52.031 0.005 . 1 . . . . 64 ASN CA . 25381 1 694 . 1 1 63 63 ASN CB C 13 39.882 0.208 . 1 . . . . 64 ASN CB . 25381 1 695 . 1 1 63 63 ASN N N 15 109.697 0.015 . 1 . . . . 64 ASN N . 25381 1 696 . 1 1 64 64 TYR H H 1 9.144 0.013 . 1 . . . . 65 TYR H . 25381 1 697 . 1 1 64 64 TYR HA H 1 3.796 0.111 . 1 . . . . 65 TYR HA . 25381 1 698 . 1 1 64 64 TYR HB2 H 1 3.061 0 . 2 . . . . 65 TYR HB2 . 25381 1 699 . 1 1 64 64 TYR HB3 H 1 2.746 0 . 2 . . . . 65 TYR HB3 . 25381 1 700 . 1 1 64 64 TYR C C 13 175.528 0.035 . 1 . . . . 65 TYR C . 25381 1 701 . 1 1 64 64 TYR CA C 13 60.665 0.009 . 1 . . . . 65 TYR CA . 25381 1 702 . 1 1 64 64 TYR CB C 13 39.017 0.152 . 1 . . . . 65 TYR CB . 25381 1 703 . 1 1 64 64 TYR N N 15 122.161 0 . 1 . . . . 65 TYR N . 25381 1 704 . 1 1 65 65 GLU H H 1 8.524 0.133 . 1 . . . . 66 GLU H . 25381 1 705 . 1 1 65 65 GLU HA H 1 3.55 0.02 . 1 . . . . 66 GLU HA . 25381 1 706 . 1 1 65 65 GLU HB2 H 1 1.813 0.025 . 2 . . . . 66 GLU HB2 . 25381 1 707 . 1 1 65 65 GLU HB3 H 1 1.958 0.15 . 2 . . . . 66 GLU HB3 . 25381 1 708 . 1 1 65 65 GLU HG2 H 1 2.147 0.023 . 2 . . . . 66 GLU HG2 . 25381 1 709 . 1 1 65 65 GLU HG3 H 1 2.307 0.02 . 2 . . . . 66 GLU HG3 . 25381 1 710 . 1 1 65 65 GLU C C 13 177.87 0.026 . 1 . . . . 66 GLU C . 25381 1 711 . 1 1 65 65 GLU CA C 13 60.267 0.007 . 1 . . . . 66 GLU CA . 25381 1 712 . 1 1 65 65 GLU CB C 13 28.18 0.253 . 1 . . . . 66 GLU CB . 25381 1 713 . 1 1 65 65 GLU CG C 13 36.898 0.018 . 1 . . . . 66 GLU CG . 25381 1 714 . 1 1 65 65 GLU N N 15 119.993 0.064 . 1 . . . . 66 GLU N . 25381 1 715 . 1 1 66 66 GLN H H 1 7.584 0.218 . 1 . . . . 67 GLN H . 25381 1 716 . 1 1 66 66 GLN HA H 1 3.968 0 . 1 . . . . 67 GLN HA . 25381 1 717 . 1 1 66 66 GLN HB2 H 1 2.624 0 . 2 . . . . 67 GLN HB2 . 25381 1 718 . 1 1 66 66 GLN HB3 H 1 2.508 0 . 2 . . . . 67 GLN HB3 . 25381 1 719 . 1 1 66 66 GLN HG2 H 1 2.065 0 . 2 . . . . 67 GLN HG2 . 25381 1 720 . 1 1 66 66 GLN HG3 H 1 1.473 0 . 2 . . . . 67 GLN HG3 . 25381 1 721 . 1 1 66 66 GLN C C 13 175.787 0.004 . 1 . . . . 67 GLN C . 25381 1 722 . 1 1 66 66 GLN CA C 13 58.235 0.009 . 1 . . . . 67 GLN CA . 25381 1 723 . 1 1 66 66 GLN CB C 13 29.709 0.152 . 1 . . . . 67 GLN CB . 25381 1 724 . 1 1 66 66 GLN CG C 13 34.66 0.015 . 1 . . . . 67 GLN CG . 25381 1 725 . 1 1 66 66 GLN N N 15 116.225 0.029 . 1 . . . . 67 GLN N . 25381 1 726 . 1 1 67 67 LEU H H 1 7.078 0 . 1 . . . . 68 LEU H . 25381 1 727 . 1 1 67 67 LEU HA H 1 4.039 0 . 1 . . . . 68 LEU HA . 25381 1 728 . 1 1 67 67 LEU HB2 H 1 1.894 0 . 2 . . . . 68 LEU HB2 . 25381 1 729 . 1 1 67 67 LEU HB3 H 1 1.914 0.008 . 2 . . . . 68 LEU HB3 . 25381 1 730 . 1 1 67 67 LEU HG H 1 1.331 0 . 1 . . . . 68 LEU HG . 25381 1 731 . 1 1 67 67 LEU HD11 H 1 0.465 0.011 . 2 . . . . 68 LEU HD1 . 25381 1 732 . 1 1 67 67 LEU HD12 H 1 0.465 0.011 . 2 . . . . 68 LEU HD1 . 25381 1 733 . 1 1 67 67 LEU HD13 H 1 0.465 0.011 . 2 . . . . 68 LEU HD1 . 25381 1 734 . 1 1 67 67 LEU HD21 H 1 0.445 0.199 . 2 . . . . 68 LEU HD2 . 25381 1 735 . 1 1 67 67 LEU HD22 H 1 0.445 0.199 . 2 . . . . 68 LEU HD2 . 25381 1 736 . 1 1 67 67 LEU HD23 H 1 0.445 0.199 . 2 . . . . 68 LEU HD2 . 25381 1 737 . 1 1 67 67 LEU C C 13 175.857 0.019 . 1 . . . . 68 LEU C . 25381 1 738 . 1 1 67 67 LEU CA C 13 55.366 0.007 . 1 . . . . 68 LEU CA . 25381 1 739 . 1 1 67 67 LEU CB C 13 43.215 0.1 . 1 . . . . 68 LEU CB . 25381 1 740 . 1 1 67 67 LEU CD1 C 13 25.706 0.036 . 2 . . . . 68 LEU CD1 . 25381 1 741 . 1 1 67 67 LEU CD2 C 13 23.02 0.236 . 2 . . . . 68 LEU CD2 . 25381 1 742 . 1 1 67 67 LEU N N 15 116.389 0.114 . 1 . . . . 68 LEU N . 25381 1 743 . 1 1 68 68 LYS H H 1 7.033 0 . 1 . . . . 69 LYS H . 25381 1 744 . 1 1 68 68 LYS C C 13 172.917 0.028 . 1 . . . . 69 LYS C . 25381 1 745 . 1 1 68 68 LYS CA C 13 60.864 0.008 . 1 . . . . 69 LYS CA . 25381 1 746 . 1 1 68 68 LYS CB C 13 30.362 0.049 . 1 . . . . 69 LYS CB . 25381 1 747 . 1 1 68 68 LYS N N 15 120.06 0 . 1 . . . . 69 LYS N . 25381 1 748 . 1 1 69 69 PRO HA H 1 4.057 0.006 . 1 . . . . 70 PRO HA . 25381 1 749 . 1 1 69 69 PRO HG2 H 1 0.778 0.077 . 1 . . . . 70 PRO HG2 . 25381 1 750 . 1 1 69 69 PRO HG3 H 1 0.778 0.077 . 1 . . . . 70 PRO HG3 . 25381 1 751 . 1 1 69 69 PRO HD2 H 1 3.443 0.029 . 2 . . . . 70 PRO HD2 . 25381 1 752 . 1 1 69 69 PRO HD3 H 1 3.137 0.02 . 2 . . . . 70 PRO HD3 . 25381 1 753 . 1 1 69 69 PRO C C 13 175.731 0.05 . 1 . . . . 70 PRO C . 25381 1 754 . 1 1 69 69 PRO CA C 13 64.923 0.068 . 1 . . . . 70 PRO CA . 25381 1 755 . 1 1 69 69 PRO CB C 13 31.155 0 . 1 . . . . 70 PRO CB . 25381 1 756 . 1 1 69 69 PRO CG C 13 27.795 0 . 1 . . . . 70 PRO CG . 25381 1 757 . 1 1 69 69 PRO CD C 13 50.529 0.045 . 1 . . . . 70 PRO CD . 25381 1 758 . 1 1 70 70 TYR H H 1 7.98 0.022 . 1 . . . . 71 TYR H . 25381 1 759 . 1 1 70 70 TYR HA H 1 3.981 0.128 . 1 . . . . 71 TYR HA . 25381 1 760 . 1 1 70 70 TYR HB2 H 1 2.561 0.024 . 2 . . . . 71 TYR HB2 . 25381 1 761 . 1 1 70 70 TYR HB3 H 1 2.182 0 . 2 . . . . 71 TYR HB3 . 25381 1 762 . 1 1 70 70 TYR C C 13 173.808 0.036 . 1 . . . . 71 TYR C . 25381 1 763 . 1 1 70 70 TYR CA C 13 58.761 0.008 . 1 . . . . 71 TYR CA . 25381 1 764 . 1 1 70 70 TYR CB C 13 39.992 0.121 . 1 . . . . 71 TYR CB . 25381 1 765 . 1 1 70 70 TYR N N 15 113.647 0.059 . 1 . . . . 71 TYR N . 25381 1 766 . 1 1 71 71 ILE H H 1 7.229 0.1 . 1 . . . . 72 ILE H . 25381 1 767 . 1 1 71 71 ILE HA H 1 4.841 0 . 1 . . . . 72 ILE HA . 25381 1 768 . 1 1 71 71 ILE HG21 H 1 0.626 0.05 . 1 . . . . 72 ILE HG2 . 25381 1 769 . 1 1 71 71 ILE HG22 H 1 0.626 0.05 . 1 . . . . 72 ILE HG2 . 25381 1 770 . 1 1 71 71 ILE HG23 H 1 0.626 0.05 . 1 . . . . 72 ILE HG2 . 25381 1 771 . 1 1 71 71 ILE HD11 H 1 -0.108 0 . 1 . . . . 72 ILE HD1 . 25381 1 772 . 1 1 71 71 ILE HD12 H 1 -0.108 0 . 1 . . . . 72 ILE HD1 . 25381 1 773 . 1 1 71 71 ILE HD13 H 1 -0.108 0 . 1 . . . . 72 ILE HD1 . 25381 1 774 . 1 1 71 71 ILE C C 13 171.643 0.013 . 1 . . . . 72 ILE C . 25381 1 775 . 1 1 71 71 ILE CA C 13 59.436 0.007 . 1 . . . . 72 ILE CA . 25381 1 776 . 1 1 71 71 ILE CB C 13 42.196 0.145 . 1 . . . . 72 ILE CB . 25381 1 777 . 1 1 71 71 ILE CG1 C 13 24.613 0.175 . 1 . . . . 72 ILE CG1 . 25381 1 778 . 1 1 71 71 ILE CG2 C 13 19.935 0 . 1 . . . . 72 ILE CG2 . 25381 1 779 . 1 1 71 71 ILE CD1 C 13 12.325 0 . 1 . . . . 72 ILE CD1 . 25381 1 780 . 1 1 71 71 ILE N N 15 111.832 0.051 . 1 . . . . 72 ILE N . 25381 1 781 . 1 1 72 72 ASP H H 1 8.401 0.029 . 1 . . . . 73 ASP H . 25381 1 782 . 1 1 72 72 ASP HA H 1 4.941 0.05 . 1 . . . . 73 ASP HA . 25381 1 783 . 1 1 72 72 ASP HB2 H 1 2.619 0 . 2 . . . . 73 ASP HB2 . 25381 1 784 . 1 1 72 72 ASP HB3 H 1 2.007 0 . 2 . . . . 73 ASP HB3 . 25381 1 785 . 1 1 72 72 ASP C C 13 173.021 0.015 . 1 . . . . 73 ASP C . 25381 1 786 . 1 1 72 72 ASP CA C 13 52.141 0.007 . 1 . . . . 73 ASP CA . 25381 1 787 . 1 1 72 72 ASP CB C 13 41.3 0.121 . 1 . . . . 73 ASP CB . 25381 1 788 . 1 1 72 72 ASP N N 15 120.903 0.03 . 1 . . . . 73 ASP N . 25381 1 789 . 1 1 73 73 ASP H H 1 8.182 0.038 . 1 . . . . 74 ASP H . 25381 1 790 . 1 1 73 73 ASP HA H 1 4.879 0.225 . 1 . . . . 74 ASP HA . 25381 1 791 . 1 1 73 73 ASP HB2 H 1 2.514 0 . 2 . . . . 74 ASP HB2 . 25381 1 792 . 1 1 73 73 ASP HB3 H 1 3.126 0 . 2 . . . . 74 ASP HB3 . 25381 1 793 . 1 1 73 73 ASP C C 13 178.709 0.044 . 1 . . . . 74 ASP C . 25381 1 794 . 1 1 73 73 ASP CA C 13 52.365 0.013 . 1 . . . . 74 ASP CA . 25381 1 795 . 1 1 73 73 ASP CB C 13 41.747 0.217 . 1 . . . . 74 ASP CB . 25381 1 796 . 1 1 73 73 ASP N N 15 123.004 0.015 . 1 . . . . 74 ASP N . 25381 1 797 . 1 1 74 74 THR H H 1 8.637 0.122 . 1 . . . . 75 THR H . 25381 1 798 . 1 1 74 74 THR HA H 1 3.906 0.002 . 1 . . . . 75 THR HA . 25381 1 799 . 1 1 74 74 THR HB H 1 4.213 0.015 . 1 . . . . 75 THR HB . 25381 1 800 . 1 1 74 74 THR HG21 H 1 1.381 0 . 1 . . . . 75 THR HG2 . 25381 1 801 . 1 1 74 74 THR HG22 H 1 1.381 0 . 1 . . . . 75 THR HG2 . 25381 1 802 . 1 1 74 74 THR HG23 H 1 1.381 0 . 1 . . . . 75 THR HG2 . 25381 1 803 . 1 1 74 74 THR C C 13 174.512 0.019 . 1 . . . . 75 THR C . 25381 1 804 . 1 1 74 74 THR CA C 13 65.218 0.006 . 1 . . . . 75 THR CA . 25381 1 805 . 1 1 74 74 THR CB C 13 69.754 0.131 . 1 . . . . 75 THR CB . 25381 1 806 . 1 1 74 74 THR CG2 C 13 21.826 0.037 . 1 . . . . 75 THR CG2 . 25381 1 807 . 1 1 74 74 THR N N 15 113.964 0.064 . 1 . . . . 75 THR N . 25381 1 808 . 1 1 75 75 MET H H 1 8.885 0.129 . 1 . . . . 76 MET H . 25381 1 809 . 1 1 75 75 MET HA H 1 4.557 0.02 . 1 . . . . 76 MET HA . 25381 1 810 . 1 1 75 75 MET HB2 H 1 2.617 0 . 2 . . . . 76 MET HB2 . 25381 1 811 . 1 1 75 75 MET HB3 H 1 2.692 0.1 . 2 . . . . 76 MET HB3 . 25381 1 812 . 1 1 75 75 MET HG2 H 1 2.228 0.007 . 2 . . . . 76 MET HG2 . 25381 1 813 . 1 1 75 75 MET HG3 H 1 2.053 0.024 . 2 . . . . 76 MET HG3 . 25381 1 814 . 1 1 75 75 MET C C 13 174.751 0.014 . 1 . . . . 76 MET C . 25381 1 815 . 1 1 75 75 MET CA C 13 56.146 0.007 . 1 . . . . 76 MET CA . 25381 1 816 . 1 1 75 75 MET CB C 13 29.031 0.105 . 1 . . . . 76 MET CB . 25381 1 817 . 1 1 75 75 MET CG C 13 31.874 0.018 . 1 . . . . 76 MET CG . 25381 1 818 . 1 1 75 75 MET N N 15 120.492 0.044 . 1 . . . . 76 MET N . 25381 1 819 . 1 1 76 76 LEU H H 1 7.255 0.032 . 1 . . . . 77 LEU H . 25381 1 820 . 1 1 76 76 LEU HA H 1 4.526 0 . 1 . . . . 77 LEU HA . 25381 1 821 . 1 1 76 76 LEU HB2 H 1 1.608 0 . 2 . . . . 77 LEU HB2 . 25381 1 822 . 1 1 76 76 LEU HB3 H 1 1.682 0 . 2 . . . . 77 LEU HB3 . 25381 1 823 . 1 1 76 76 LEU HG H 1 1.343 0 . 1 . . . . 77 LEU HG . 25381 1 824 . 1 1 76 76 LEU HD11 H 1 0.778 0.011 . 2 . . . . 77 LEU HD1 . 25381 1 825 . 1 1 76 76 LEU HD12 H 1 0.778 0.011 . 2 . . . . 77 LEU HD1 . 25381 1 826 . 1 1 76 76 LEU HD13 H 1 0.778 0.011 . 2 . . . . 77 LEU HD1 . 25381 1 827 . 1 1 76 76 LEU HD21 H 1 0.542 0.002 . 2 . . . . 77 LEU HD2 . 25381 1 828 . 1 1 76 76 LEU HD22 H 1 0.542 0.002 . 2 . . . . 77 LEU HD2 . 25381 1 829 . 1 1 76 76 LEU HD23 H 1 0.542 0.002 . 2 . . . . 77 LEU HD2 . 25381 1 830 . 1 1 76 76 LEU C C 13 176.658 0 . 1 . . . . 77 LEU C . 25381 1 831 . 1 1 76 76 LEU CA C 13 55.023 0.016 . 1 . . . . 77 LEU CA . 25381 1 832 . 1 1 76 76 LEU CB C 13 42.544 0.158 . 1 . . . . 77 LEU CB . 25381 1 833 . 1 1 76 76 LEU CG C 13 26.402 0.255 . 1 . . . . 77 LEU CG . 25381 1 834 . 1 1 76 76 LEU CD1 C 13 23.617 0.023 . 1 . . . . 77 LEU CD1 . 25381 1 835 . 1 1 76 76 LEU CD2 C 13 23.617 0.023 . 1 . . . . 77 LEU CD2 . 25381 1 836 . 1 1 76 76 LEU N N 15 123.094 0.039 . 1 . . . . 77 LEU N . 25381 1 837 . 1 1 77 77 THR H H 1 9.051 0.08 . 1 . . . . 78 THR H . 25381 1 838 . 1 1 77 77 THR HA H 1 4.448 0.018 . 1 . . . . 78 THR HA . 25381 1 839 . 1 1 77 77 THR HB H 1 4.151 0.003 . 1 . . . . 78 THR HB . 25381 1 840 . 1 1 77 77 THR HG21 H 1 1.24 0.05 . 1 . . . . 78 THR HG2 . 25381 1 841 . 1 1 77 77 THR HG22 H 1 1.24 0.05 . 1 . . . . 78 THR HG2 . 25381 1 842 . 1 1 77 77 THR HG23 H 1 1.24 0.05 . 1 . . . . 78 THR HG2 . 25381 1 843 . 1 1 77 77 THR C C 13 174.164 0.01 . 1 . . . . 78 THR C . 25381 1 844 . 1 1 77 77 THR CA C 13 60 0.01 . 1 . . . . 78 THR CA . 25381 1 845 . 1 1 77 77 THR CB C 13 71.404 0.185 . 1 . . . . 78 THR CB . 25381 1 846 . 1 1 77 77 THR CG2 C 13 21.378 0.026 . 1 . . . . 78 THR CG2 . 25381 1 847 . 1 1 77 77 THR N N 15 115.997 0.037 . 1 . . . . 78 THR N . 25381 1 848 . 1 1 78 78 ASP H H 1 8.851 0.003 . 1 . . . . 79 ASP H . 25381 1 849 . 1 1 78 78 ASP HA H 1 4.196 0.102 . 1 . . . . 79 ASP HA . 25381 1 850 . 1 1 78 78 ASP HB2 H 1 2.587 0.015 . 2 . . . . 79 ASP HB2 . 25381 1 851 . 1 1 78 78 ASP HB3 H 1 2.931 0 . 2 . . . . 79 ASP HB3 . 25381 1 852 . 1 1 78 78 ASP C C 13 177.459 0 . 1 . . . . 79 ASP C . 25381 1 853 . 1 1 78 78 ASP CA C 13 58.036 0.006 . 1 . . . . 79 ASP CA . 25381 1 854 . 1 1 78 78 ASP CB C 13 39.497 0.123 . 1 . . . . 79 ASP CB . 25381 1 855 . 1 1 78 78 ASP N N 15 122.46 0.002 . 1 . . . . 79 ASP N . 25381 1 856 . 1 1 79 79 VAL H H 1 7.901 0.011 . 1 . . . . 80 VAL H . 25381 1 857 . 1 1 79 79 VAL HA H 1 3.729 0.041 . 1 . . . . 80 VAL HA . 25381 1 858 . 1 1 79 79 VAL HB H 1 1.809 0.006 . 1 . . . . 80 VAL HB . 25381 1 859 . 1 1 79 79 VAL HG11 H 1 1.005 0.099 . 2 . . . . 80 VAL HG1 . 25381 1 860 . 1 1 79 79 VAL HG12 H 1 1.005 0.099 . 2 . . . . 80 VAL HG1 . 25381 1 861 . 1 1 79 79 VAL HG13 H 1 1.005 0.099 . 2 . . . . 80 VAL HG1 . 25381 1 862 . 1 1 79 79 VAL HG21 H 1 0.76 0.099 . 2 . . . . 80 VAL HG2 . 25381 1 863 . 1 1 79 79 VAL HG22 H 1 0.76 0.099 . 2 . . . . 80 VAL HG2 . 25381 1 864 . 1 1 79 79 VAL HG23 H 1 0.76 0.099 . 2 . . . . 80 VAL HG2 . 25381 1 865 . 1 1 79 79 VAL C C 13 177.49 0.013 . 1 . . . . 80 VAL C . 25381 1 866 . 1 1 79 79 VAL CA C 13 65.525 0.007 . 1 . . . . 80 VAL CA . 25381 1 867 . 1 1 79 79 VAL CB C 13 31.835 0.057 . 1 . . . . 80 VAL CB . 25381 1 868 . 1 1 79 79 VAL CG1 C 13 21.922 0.023 . 2 . . . . 80 VAL CG1 . 25381 1 869 . 1 1 79 79 VAL CG2 C 13 20.632 0.175 . 2 . . . . 80 VAL CG2 . 25381 1 870 . 1 1 79 79 VAL N N 15 120.745 0.056 . 1 . . . . 80 VAL N . 25381 1 871 . 1 1 80 80 GLN H H 1 7.496 0.21 . 1 . . . . 81 GLN H . 25381 1 872 . 1 1 80 80 GLN HA H 1 3.883 0 . 1 . . . . 81 GLN HA . 25381 1 873 . 1 1 80 80 GLN HB2 H 1 1.655 0 . 2 . . . . 81 GLN HB2 . 25381 1 874 . 1 1 80 80 GLN HB3 H 1 1.778 0.05 . 2 . . . . 81 GLN HB3 . 25381 1 875 . 1 1 80 80 GLN HG2 H 1 2.187 0 . 2 . . . . 81 GLN HG2 . 25381 1 876 . 1 1 80 80 GLN HG3 H 1 2.415 0 . 2 . . . . 81 GLN HG3 . 25381 1 877 . 1 1 80 80 GLN C C 13 178.087 0.02 . 1 . . . . 81 GLN C . 25381 1 878 . 1 1 80 80 GLN CA C 13 58.704 0.007 . 1 . . . . 81 GLN CA . 25381 1 879 . 1 1 80 80 GLN CB C 13 28.913 0.167 . 1 . . . . 81 GLN CB . 25381 1 880 . 1 1 80 80 GLN CG C 13 34.511 0.031 . 1 . . . . 81 GLN CG . 25381 1 881 . 1 1 80 80 GLN N N 15 122.889 0.039 . 1 . . . . 81 GLN N . 25381 1 882 . 1 1 81 81 ARG H H 1 8.353 0.198 . 1 . . . . 82 ARG H . 25381 1 883 . 1 1 81 81 ARG HA H 1 3.386 0 . 1 . . . . 82 ARG HA . 25381 1 884 . 1 1 81 81 ARG HB2 H 1 1.517 0 . 2 . . . . 82 ARG HB2 . 25381 1 885 . 1 1 81 81 ARG HB3 H 1 1.073 0 . 2 . . . . 82 ARG HB3 . 25381 1 886 . 1 1 81 81 ARG HG2 H 1 1.969 0 . 2 . . . . 82 ARG HG2 . 25381 1 887 . 1 1 81 81 ARG HG3 H 1 1.726 0 . 2 . . . . 82 ARG HG3 . 25381 1 888 . 1 1 81 81 ARG HD2 H 1 3.213 0 . 2 . . . . 82 ARG HD2 . 25381 1 889 . 1 1 81 81 ARG HD3 H 1 3.057 0.099 . 2 . . . . 82 ARG HD3 . 25381 1 890 . 1 1 81 81 ARG C C 13 175.551 0.002 . 1 . . . . 82 ARG C . 25381 1 891 . 1 1 81 81 ARG CA C 13 60.338 0.006 . 1 . . . . 82 ARG CA . 25381 1 892 . 1 1 81 81 ARG CB C 13 29.903 0.102 . 1 . . . . 82 ARG CB . 25381 1 893 . 1 1 81 81 ARG CD C 13 43.017 0.018 . 1 . . . . 82 ARG CD . 25381 1 894 . 1 1 81 81 ARG N N 15 120.341 0.06 . 1 . . . . 82 ARG N . 25381 1 895 . 1 1 82 82 GLU H H 1 8.048 0.144 . 1 . . . . 83 GLU H . 25381 1 896 . 1 1 82 82 GLU HA H 1 4.1 0 . 1 . . . . 83 GLU HA . 25381 1 897 . 1 1 82 82 GLU HB2 H 1 2.23 0 . 2 . . . . 83 GLU HB2 . 25381 1 898 . 1 1 82 82 GLU HB3 H 1 2.357 0 . 2 . . . . 83 GLU HB3 . 25381 1 899 . 1 1 82 82 GLU HG2 H 1 1.939 0 . 1 . . . . 83 GLU HG2 . 25381 1 900 . 1 1 82 82 GLU HG3 H 1 1.939 0 . 1 . . . . 83 GLU HG3 . 25381 1 901 . 1 1 82 82 GLU C C 13 178.015 0.14 . 1 . . . . 83 GLU C . 25381 1 902 . 1 1 82 82 GLU CA C 13 59.418 0.006 . 1 . . . . 83 GLU CA . 25381 1 903 . 1 1 82 82 GLU CB C 13 29.038 0.078 . 1 . . . . 83 GLU CB . 25381 1 904 . 1 1 82 82 GLU CG C 13 35.953 0.394 . 1 . . . . 83 GLU CG . 25381 1 905 . 1 1 82 82 GLU N N 15 119.915 0.062 . 1 . . . . 83 GLU N . 25381 1 906 . 1 1 83 83 THR H H 1 7.671 0.107 . 1 . . . . 84 THR H . 25381 1 907 . 1 1 83 83 THR HA H 1 3.716 0.024 . 1 . . . . 84 THR HA . 25381 1 908 . 1 1 83 83 THR HB H 1 4.029 0.002 . 1 . . . . 84 THR HB . 25381 1 909 . 1 1 83 83 THR HG21 H 1 1.067 0 . 1 . . . . 84 THR HG2 . 25381 1 910 . 1 1 83 83 THR HG22 H 1 1.067 0 . 1 . . . . 84 THR HG2 . 25381 1 911 . 1 1 83 83 THR HG23 H 1 1.067 0 . 1 . . . . 84 THR HG2 . 25381 1 912 . 1 1 83 83 THR C C 13 174.492 0.025 . 1 . . . . 84 THR C . 25381 1 913 . 1 1 83 83 THR CA C 13 66.232 0.009 . 1 . . . . 84 THR CA . 25381 1 914 . 1 1 83 83 THR CB C 13 68.511 0.092 . 1 . . . . 84 THR CB . 25381 1 915 . 1 1 83 83 THR CG2 C 13 21.229 0.01 . 1 . . . . 84 THR CG2 . 25381 1 916 . 1 1 83 83 THR N N 15 117.73 0.039 . 1 . . . . 84 THR N . 25381 1 917 . 1 1 84 84 ILE H H 1 6.983 0.019 . 1 . . . . 85 ILE H . 25381 1 918 . 1 1 84 84 ILE HA H 1 2.742 0 . 1 . . . . 85 ILE HA . 25381 1 919 . 1 1 84 84 ILE HB H 1 0.835 0 . 1 . . . . 85 ILE HB . 25381 1 920 . 1 1 84 84 ILE HG21 H 1 0.144 0.283 . 1 . . . . 85 ILE HG2 . 25381 1 921 . 1 1 84 84 ILE HG22 H 1 0.144 0.283 . 1 . . . . 85 ILE HG2 . 25381 1 922 . 1 1 84 84 ILE HG23 H 1 0.144 0.283 . 1 . . . . 85 ILE HG2 . 25381 1 923 . 1 1 84 84 ILE HD11 H 1 -0.946 0.006 . 1 . . . . 85 ILE HD1 . 25381 1 924 . 1 1 84 84 ILE HD12 H 1 -0.946 0.006 . 1 . . . . 85 ILE HD1 . 25381 1 925 . 1 1 84 84 ILE HD13 H 1 -0.946 0.006 . 1 . . . . 85 ILE HD1 . 25381 1 926 . 1 1 84 84 ILE C C 13 175.612 0.01 . 1 . . . . 85 ILE C . 25381 1 927 . 1 1 84 84 ILE CA C 13 63.623 0.006 . 1 . . . . 85 ILE CA . 25381 1 928 . 1 1 84 84 ILE CB C 13 38.017 0.06 . 1 . . . . 85 ILE CB . 25381 1 929 . 1 1 84 84 ILE CG1 C 13 29.693 0.213 . 1 . . . . 85 ILE CG1 . 25381 1 930 . 1 1 84 84 ILE CG2 C 13 19.92 0.006 . 1 . . . . 85 ILE CG2 . 25381 1 931 . 1 1 84 84 ILE CD1 C 13 15.044 0.022 . 1 . . . . 85 ILE CD1 . 25381 1 932 . 1 1 84 84 ILE N N 15 124.588 0.029 . 1 . . . . 85 ILE N . 25381 1 933 . 1 1 85 85 PHE H H 1 8.145 0.027 . 1 . . . . 86 PHE H . 25381 1 934 . 1 1 85 85 PHE HA H 1 4.204 0.19 . 1 . . . . 86 PHE HA . 25381 1 935 . 1 1 85 85 PHE HB2 H 1 2.895 0 . 2 . . . . 86 PHE HB2 . 25381 1 936 . 1 1 85 85 PHE HB3 H 1 3.345 0 . 2 . . . . 86 PHE HB3 . 25381 1 937 . 1 1 85 85 PHE C C 13 177.062 0.012 . 1 . . . . 86 PHE C . 25381 1 938 . 1 1 85 85 PHE CA C 13 59.315 0.005 . 1 . . . . 86 PHE CA . 25381 1 939 . 1 1 85 85 PHE CB C 13 36.873 0.173 . 1 . . . . 86 PHE CB . 25381 1 940 . 1 1 85 85 PHE N N 15 116.293 0.015 . 1 . . . . 86 PHE N . 25381 1 941 . 1 1 86 86 SER H H 1 7.833 0.034 . 1 . . . . 87 SER H . 25381 1 942 . 1 1 86 86 SER HA H 1 4.39 0.107 . 1 . . . . 87 SER HA . 25381 1 943 . 1 1 86 86 SER HB2 H 1 3.975 0 . 2 . . . . 87 SER HB2 . 25381 1 944 . 1 1 86 86 SER HB3 H 1 4.03 0 . 2 . . . . 87 SER HB3 . 25381 1 945 . 1 1 86 86 SER C C 13 174.046 0.014 . 1 . . . . 87 SER C . 25381 1 946 . 1 1 86 86 SER CA C 13 60.671 0.007 . 1 . . . . 87 SER CA . 25381 1 947 . 1 1 86 86 SER CB C 13 63.237 0.091 . 1 . . . . 87 SER CB . 25381 1 948 . 1 1 86 86 SER N N 15 114.633 0.015 . 1 . . . . 87 SER N . 25381 1 949 . 1 1 87 87 ARG H H 1 7.616 0.014 . 1 . . . . 88 ARG H . 25381 1 950 . 1 1 87 87 ARG HA H 1 4.465 0.008 . 1 . . . . 88 ARG HA . 25381 1 951 . 1 1 87 87 ARG HB2 H 1 1.591 0 . 2 . . . . 88 ARG HB2 . 25381 1 952 . 1 1 87 87 ARG HB3 H 1 1.717 0 . 2 . . . . 88 ARG HB3 . 25381 1 953 . 1 1 87 87 ARG HD2 H 1 3.054 0.002 . 2 . . . . 88 ARG HD2 . 25381 1 954 . 1 1 87 87 ARG HD3 H 1 3.062 0.011 . 2 . . . . 88 ARG HD3 . 25381 1 955 . 1 1 87 87 ARG C C 13 173.24 0.022 . 1 . . . . 88 ARG C . 25381 1 956 . 1 1 87 87 ARG CA C 13 55.084 0.013 . 1 . . . . 88 ARG CA . 25381 1 957 . 1 1 87 87 ARG CB C 13 30.441 0.107 . 1 . . . . 88 ARG CB . 25381 1 958 . 1 1 87 87 ARG CG C 13 27.198 0.182 . 1 . . . . 88 ARG CG . 25381 1 959 . 1 1 87 87 ARG CD C 13 42.221 0 . 1 . . . . 88 ARG CD . 25381 1 960 . 1 1 87 87 ARG N N 15 121.555 0.089 . 1 . . . . 88 ARG N . 25381 1 961 . 1 1 88 88 TRP H H 1 7.608 0 . 1 . . . . 89 TRP H . 25381 1 962 . 1 1 88 88 TRP HA H 1 5.433 0 . 1 . . . . 89 TRP HA . 25381 1 963 . 1 1 88 88 TRP C C 13 173.605 0.01 . 1 . . . . 89 TRP C . 25381 1 964 . 1 1 88 88 TRP CA C 13 51.065 0.01 . 1 . . . . 89 TRP CA . 25381 1 965 . 1 1 88 88 TRP CB C 13 33.355 0.1 . 1 . . . . 89 TRP CB . 25381 1 966 . 1 1 88 88 TRP N N 15 120.876 0 . 1 . . . . 89 TRP N . 25381 1 967 . 1 1 89 89 PRO HA H 1 4.485 0 . 1 . . . . 90 PRO HA . 25381 1 968 . 1 1 89 89 PRO HB2 H 1 1.864 0 . 2 . . . . 90 PRO HB2 . 25381 1 969 . 1 1 89 89 PRO HB3 H 1 2.055 0 . 2 . . . . 90 PRO HB3 . 25381 1 970 . 1 1 89 89 PRO HG2 H 1 1.725 0 . 2 . . . . 90 PRO HG2 . 25381 1 971 . 1 1 89 89 PRO HG3 H 1 1.521 0 . 2 . . . . 90 PRO HG3 . 25381 1 972 . 1 1 89 89 PRO HD2 H 1 3.665 0 . 2 . . . . 90 PRO HD2 . 25381 1 973 . 1 1 89 89 PRO HD3 H 1 3.5 0 . 2 . . . . 90 PRO HD3 . 25381 1 974 . 1 1 89 89 PRO C C 13 175.311 0 . 1 . . . . 90 PRO C . 25381 1 975 . 1 1 89 89 PRO CA C 13 61.694 0.215 . 1 . . . . 90 PRO CA . 25381 1 976 . 1 1 89 89 PRO CB C 13 34.413 0 . 1 . . . . 90 PRO CB . 25381 1 977 . 1 1 89 89 PRO CG C 13 25.009 0 . 1 . . . . 90 PRO CG . 25381 1 978 . 1 1 89 89 PRO CD C 13 49.882 0.043 . 1 . . . . 90 PRO CD . 25381 1 979 . 1 1 90 90 GLY H H 1 9.473 0.1 . 1 . . . . 91 GLY H . 25381 1 980 . 1 1 90 90 GLY C C 13 171.114 0.009 . 1 . . . . 91 GLY C . 25381 1 981 . 1 1 90 90 GLY CA C 13 46.487 0.008 . 1 . . . . 91 GLY CA . 25381 1 982 . 1 1 90 90 GLY N N 15 114.281 0 . 1 . . . . 91 GLY N . 25381 1 983 . 1 1 91 91 PRO HA H 1 4.527 0 . 1 . . . . 92 PRO HA . 25381 1 984 . 1 1 91 91 PRO HB2 H 1 2.378 0 . 1 . . . . 92 PRO HB2 . 25381 1 985 . 1 1 91 91 PRO HB3 H 1 2.378 0 . 1 . . . . 92 PRO HB3 . 25381 1 986 . 1 1 91 91 PRO HG2 H 1 1.655 0.016 . 1 . . . . 92 PRO HG2 . 25381 1 987 . 1 1 91 91 PRO HG3 H 1 1.655 0.016 . 1 . . . . 92 PRO HG3 . 25381 1 988 . 1 1 91 91 PRO HD2 H 1 3.465 0 . 2 . . . . 92 PRO HD2 . 25381 1 989 . 1 1 91 91 PRO HD3 H 1 3.735 0 . 2 . . . . 92 PRO HD3 . 25381 1 990 . 1 1 91 91 PRO C C 13 173.803 0.044 . 1 . . . . 92 PRO C . 25381 1 991 . 1 1 91 91 PRO CA C 13 63.037 0.1 . 1 . . . . 92 PRO CA . 25381 1 992 . 1 1 91 91 PRO CB C 13 29.092 0 . 1 . . . . 92 PRO CB . 25381 1 993 . 1 1 91 91 PRO CD C 13 49.119 0.015 . 1 . . . . 92 PRO CD . 25381 1 994 . 1 1 92 92 VAL H H 1 8.807 0 . 1 . . . . 93 VAL H . 25381 1 995 . 1 1 92 92 VAL HA H 1 4.258 0.083 . 1 . . . . 93 VAL HA . 25381 1 996 . 1 1 92 92 VAL HB H 1 1.721 0 . 1 . . . . 93 VAL HB . 25381 1 997 . 1 1 92 92 VAL HG11 H 1 0.637 0.002 . 2 . . . . 93 VAL HG1 . 25381 1 998 . 1 1 92 92 VAL HG12 H 1 0.637 0.002 . 2 . . . . 93 VAL HG1 . 25381 1 999 . 1 1 92 92 VAL HG13 H 1 0.637 0.002 . 2 . . . . 93 VAL HG1 . 25381 1 1000 . 1 1 92 92 VAL HG21 H 1 0.167 0.005 . 2 . . . . 93 VAL HG2 . 25381 1 1001 . 1 1 92 92 VAL HG22 H 1 0.167 0.005 . 2 . . . . 93 VAL HG2 . 25381 1 1002 . 1 1 92 92 VAL HG23 H 1 0.167 0.005 . 2 . . . . 93 VAL HG2 . 25381 1 1003 . 1 1 92 92 VAL C C 13 171.889 0.004 . 1 . . . . 93 VAL C . 25381 1 1004 . 1 1 92 92 VAL CA C 13 62.17 0.011 . 1 . . . . 93 VAL CA . 25381 1 1005 . 1 1 92 92 VAL CB C 13 34.234 0.063 . 1 . . . . 93 VAL CB . 25381 1 1006 . 1 1 92 92 VAL N N 15 125.784 0.022 . 1 . . . . 93 VAL N . 25381 1 1007 . 1 1 93 93 THR H H 1 8.902 0.069 . 1 . . . . 94 THR H . 25381 1 1008 . 1 1 93 93 THR HA H 1 4.978 0.025 . 1 . . . . 94 THR HA . 25381 1 1009 . 1 1 93 93 THR HB H 1 3.982 0.434 . 1 . . . . 94 THR HB . 25381 1 1010 . 1 1 93 93 THR HG21 H 1 0.728 0.05 . 1 . . . . 94 THR HG2 . 25381 1 1011 . 1 1 93 93 THR HG22 H 1 0.728 0.05 . 1 . . . . 94 THR HG2 . 25381 1 1012 . 1 1 93 93 THR HG23 H 1 0.728 0.05 . 1 . . . . 94 THR HG2 . 25381 1 1013 . 1 1 93 93 THR C C 13 171.973 0.023 . 1 . . . . 94 THR C . 25381 1 1014 . 1 1 93 93 THR CA C 13 60.88 0.006 . 1 . . . . 94 THR CA . 25381 1 1015 . 1 1 93 93 THR CB C 13 69.782 0.067 . 1 . . . . 94 THR CB . 25381 1 1016 . 1 1 93 93 THR CG2 C 13 24.261 0.021 . 1 . . . . 94 THR CG2 . 25381 1 1017 . 1 1 93 93 THR N N 15 129.21 0.075 . 1 . . . . 94 THR N . 25381 1 1018 . 1 1 94 94 PHE H H 1 9.75 0.028 . 1 . . . . 95 PHE H . 25381 1 1019 . 1 1 94 94 PHE HA H 1 5.57 0.115 . 1 . . . . 95 PHE HA . 25381 1 1020 . 1 1 94 94 PHE HB2 H 1 3.225 0 . 1 . . . . 95 PHE HB2 . 25381 1 1021 . 1 1 94 94 PHE HB3 H 1 3.225 0 . 1 . . . . 95 PHE HB3 . 25381 1 1022 . 1 1 94 94 PHE C C 13 174.118 0.007 . 1 . . . . 95 PHE C . 25381 1 1023 . 1 1 94 94 PHE CA C 13 56.558 0.007 . 1 . . . . 95 PHE CA . 25381 1 1024 . 1 1 94 94 PHE CB C 13 44.415 0.157 . 1 . . . . 95 PHE CB . 25381 1 1025 . 1 1 94 94 PHE N N 15 125.763 0.043 . 1 . . . . 95 PHE N . 25381 1 1026 . 1 1 95 95 VAL H H 1 8.896 0 . 1 . . . . 96 VAL H . 25381 1 1027 . 1 1 95 95 VAL HA H 1 4.527 0.002 . 1 . . . . 96 VAL HA . 25381 1 1028 . 1 1 95 95 VAL HB H 1 1.593 0.013 . 1 . . . . 96 VAL HB . 25381 1 1029 . 1 1 95 95 VAL HG11 H 1 0.51 0.249 . 2 . . . . 96 VAL HG1 . 25381 1 1030 . 1 1 95 95 VAL HG12 H 1 0.51 0.249 . 2 . . . . 96 VAL HG1 . 25381 1 1031 . 1 1 95 95 VAL HG13 H 1 0.51 0.249 . 2 . . . . 96 VAL HG1 . 25381 1 1032 . 1 1 95 95 VAL HG21 H 1 0.191 0.099 . 2 . . . . 96 VAL HG2 . 25381 1 1033 . 1 1 95 95 VAL HG22 H 1 0.191 0.099 . 2 . . . . 96 VAL HG2 . 25381 1 1034 . 1 1 95 95 VAL HG23 H 1 0.191 0.099 . 2 . . . . 96 VAL HG2 . 25381 1 1035 . 1 1 95 95 VAL C C 13 174.794 0.044 . 1 . . . . 96 VAL C . 25381 1 1036 . 1 1 95 95 VAL CA C 13 62.134 0.006 . 1 . . . . 96 VAL CA . 25381 1 1037 . 1 1 95 95 VAL CB C 13 32.127 0.076 . 1 . . . . 96 VAL CB . 25381 1 1038 . 1 1 95 95 VAL CG1 C 13 21.378 0.054 . 2 . . . . 96 VAL CG1 . 25381 1 1039 . 1 1 95 95 VAL CG2 C 13 20.233 0.156 . 2 . . . . 96 VAL CG2 . 25381 1 1040 . 1 1 95 95 VAL N N 15 122.662 0.051 . 1 . . . . 96 VAL N . 25381 1 1041 . 1 1 96 96 PHE H H 1 9.319 0 . 1 . . . . 97 PHE H . 25381 1 1042 . 1 1 96 96 PHE HA H 1 4.857 0 . 1 . . . . 97 PHE HA . 25381 1 1043 . 1 1 96 96 PHE HB2 H 1 2.56 0 . 1 . . . . 97 PHE HB2 . 25381 1 1044 . 1 1 96 96 PHE HB3 H 1 2.56 0 . 1 . . . . 97 PHE HB3 . 25381 1 1045 . 1 1 96 96 PHE C C 13 171.456 0.017 . 1 . . . . 97 PHE C . 25381 1 1046 . 1 1 96 96 PHE CA C 13 55.502 0.008 . 1 . . . . 97 PHE CA . 25381 1 1047 . 1 1 96 96 PHE CB C 13 42.12 0.05 . 1 . . . . 97 PHE CB . 25381 1 1048 . 1 1 96 96 PHE N N 15 132.248 0 . 1 . . . . 97 PHE N . 25381 1 1049 . 1 1 97 97 PRO HA H 1 3.884 0 . 1 . . . . 98 PRO HA . 25381 1 1050 . 1 1 97 97 PRO HB2 H 1 2.484 0 . 1 . . . . 98 PRO HB2 . 25381 1 1051 . 1 1 97 97 PRO HB3 H 1 2.484 0 . 1 . . . . 98 PRO HB3 . 25381 1 1052 . 1 1 97 97 PRO HG2 H 1 2.055 0.031 . 1 . . . . 98 PRO HG2 . 25381 1 1053 . 1 1 97 97 PRO HG3 H 1 2.055 0.031 . 1 . . . . 98 PRO HG3 . 25381 1 1054 . 1 1 97 97 PRO C C 13 172.793 0 . 1 . . . . 98 PRO C . 25381 1 1055 . 1 1 97 97 PRO CA C 13 63.497 0.053 . 1 . . . . 98 PRO CA . 25381 1 1056 . 1 1 97 97 PRO CB C 13 32.208 0 . 1 . . . . 98 PRO CB . 25381 1 1057 . 1 1 97 97 PRO CG C 13 28.293 0 . 1 . . . . 98 PRO CG . 25381 1 1058 . 1 1 97 97 PRO CD C 13 49.982 0.056 . 1 . . . . 98 PRO CD . 25381 1 1059 . 1 1 98 98 ALA H H 1 8.243 0 . 1 . . . . 99 ALA H . 25381 1 1060 . 1 1 98 98 ALA HA H 1 5.181 0 . 1 . . . . 99 ALA HA . 25381 1 1061 . 1 1 98 98 ALA HB1 H 1 1.137 0 . 1 . . . . 99 ALA HB . 25381 1 1062 . 1 1 98 98 ALA HB2 H 1 1.137 0 . 1 . . . . 99 ALA HB . 25381 1 1063 . 1 1 98 98 ALA HB3 H 1 1.137 0 . 1 . . . . 99 ALA HB . 25381 1 1064 . 1 1 98 98 ALA C C 13 173.85 0.014 . 1 . . . . 99 ALA C . 25381 1 1065 . 1 1 98 98 ALA CA C 13 48.477 0.014 . 1 . . . . 99 ALA CA . 25381 1 1066 . 1 1 98 98 ALA CB C 13 20.123 0.125 . 1 . . . . 99 ALA CB . 25381 1 1067 . 1 1 98 98 ALA N N 15 126.126 0 . 1 . . . . 99 ALA N . 25381 1 1068 . 1 1 99 99 PRO HD2 H 1 3.105 0 . 2 . . . . 100 PRO HD2 . 25381 1 1069 . 1 1 99 99 PRO HD3 H 1 3.166 0.031 . 2 . . . . 100 PRO HD3 . 25381 1 1070 . 1 1 99 99 PRO C C 13 175.808 0.176 . 1 . . . . 100 PRO C . 25381 1 1071 . 1 1 99 99 PRO CA C 13 61.719 0.234 . 1 . . . . 100 PRO CA . 25381 1 1072 . 1 1 99 99 PRO CB C 13 33.022 0 . 1 . . . . 100 PRO CB . 25381 1 1073 . 1 1 100 100 ALA H H 1 8.817 0.013 . 1 . . . . 101 ALA H . 25381 1 1074 . 1 1 100 100 ALA HA H 1 4.009 0.006 . 1 . . . . 101 ALA HA . 25381 1 1075 . 1 1 100 100 ALA HB1 H 1 1.345 0.06 . 1 . . . . 101 ALA HB . 25381 1 1076 . 1 1 100 100 ALA HB2 H 1 1.345 0.06 . 1 . . . . 101 ALA HB . 25381 1 1077 . 1 1 100 100 ALA HB3 H 1 1.345 0.06 . 1 . . . . 101 ALA HB . 25381 1 1078 . 1 1 100 100 ALA C C 13 176.502 0.017 . 1 . . . . 101 ALA C . 25381 1 1079 . 1 1 100 100 ALA CA C 13 54.332 0.006 . 1 . . . . 101 ALA CA . 25381 1 1080 . 1 1 100 100 ALA CB C 13 18.247 0.149 . 1 . . . . 101 ALA CB . 25381 1 1081 . 1 1 100 100 ALA N N 15 123.863 0.015 . 1 . . . . 101 ALA N . 25381 1 1082 . 1 1 101 101 THR H H 1 6.937 0.171 . 1 . . . . 102 THR H . 25381 1 1083 . 1 1 101 101 THR HA H 1 3.883 0 . 1 . . . . 102 THR HA . 25381 1 1084 . 1 1 101 101 THR HB H 1 4.218 0.005 . 1 . . . . 102 THR HB . 25381 1 1085 . 1 1 101 101 THR HG21 H 1 1.09 0.049 . 1 . . . . 102 THR HG2 . 25381 1 1086 . 1 1 101 101 THR HG22 H 1 1.09 0.049 . 1 . . . . 102 THR HG2 . 25381 1 1087 . 1 1 101 101 THR HG23 H 1 1.09 0.049 . 1 . . . . 102 THR HG2 . 25381 1 1088 . 1 1 101 101 THR C C 13 174.834 0.015 . 1 . . . . 102 THR C . 25381 1 1089 . 1 1 101 101 THR CA C 13 61.91 0.006 . 1 . . . . 102 THR CA . 25381 1 1090 . 1 1 101 101 THR CB C 13 68.732 0.067 . 1 . . . . 102 THR CB . 25381 1 1091 . 1 1 101 101 THR CG2 C 13 21.69 0.037 . 1 . . . . 102 THR CG2 . 25381 1 1092 . 1 1 101 101 THR N N 15 103.451 0.078 . 1 . . . . 102 THR N . 25381 1 1093 . 1 1 102 102 THR H H 1 7.7 0 . 1 . . . . 103 THR H . 25381 1 1094 . 1 1 102 102 THR HA H 1 4.283 0 . 1 . . . . 103 THR HA . 25381 1 1095 . 1 1 102 102 THR C C 13 170.368 0.01 . 1 . . . . 103 THR C . 25381 1 1096 . 1 1 102 102 THR CA C 13 62.058 0.006 . 1 . . . . 103 THR CA . 25381 1 1097 . 1 1 102 102 THR CB C 13 68.276 0.348 . 1 . . . . 103 THR CB . 25381 1 1098 . 1 1 102 102 THR N N 15 125.315 0 . 1 . . . . 103 THR N . 25381 1 1099 . 1 1 103 103 PRO HB2 H 1 1.611 0.05 . 2 . . . . 104 PRO HB2 . 25381 1 1100 . 1 1 103 103 PRO HB3 H 1 1.724 0 . 2 . . . . 104 PRO HB3 . 25381 1 1101 . 1 1 103 103 PRO HG2 H 1 -0.181 0 . 2 . . . . 104 PRO HG2 . 25381 1 1102 . 1 1 103 103 PRO HD2 H 1 3.682 0 . 2 . . . . 104 PRO HD2 . 25381 1 1103 . 1 1 103 103 PRO HD3 H 1 3.369 0 . 2 . . . . 104 PRO HD3 . 25381 1 1104 . 1 1 103 103 PRO C C 13 176.665 0 . 1 . . . . 104 PRO C . 25381 1 1105 . 1 1 103 103 PRO CA C 13 62.856 0.094 . 1 . . . . 104 PRO CA . 25381 1 1106 . 1 1 103 103 PRO CB C 13 30.34 0.188 . 1 . . . . 104 PRO CB . 25381 1 1107 . 1 1 103 103 PRO CG C 13 27.659 0 . 1 . . . . 104 PRO CG . 25381 1 1108 . 1 1 103 103 PRO CD C 13 51.388 0 . 1 . . . . 104 PRO CD . 25381 1 1109 . 1 1 104 104 ARG H H 1 8.871 0.036 . 1 . . . . 105 ARG H . 25381 1 1110 . 1 1 104 104 ARG HA H 1 4.698 0 . 1 . . . . 105 ARG HA . 25381 1 1111 . 1 1 104 104 ARG HB2 H 1 1.79 0 . 2 . . . . 105 ARG HB2 . 25381 1 1112 . 1 1 104 104 ARG HB3 H 1 1.855 0 . 2 . . . . 105 ARG HB3 . 25381 1 1113 . 1 1 104 104 ARG HG2 H 1 1.643 0.017 . 2 . . . . 105 ARG HG2 . 25381 1 1114 . 1 1 104 104 ARG HG3 H 1 1.6 0 . 2 . . . . 105 ARG HG3 . 25381 1 1115 . 1 1 104 104 ARG HD2 H 1 3.069 0 . 2 . . . . 105 ARG HD2 . 25381 1 1116 . 1 1 104 104 ARG HD3 H 1 3.177 0 . 2 . . . . 105 ARG HD3 . 25381 1 1117 . 1 1 104 104 ARG C C 13 177.178 0.019 . 1 . . . . 105 ARG C . 25381 1 1118 . 1 1 104 104 ARG CA C 13 55.813 0.008 . 1 . . . . 105 ARG CA . 25381 1 1119 . 1 1 104 104 ARG CB C 13 30.248 0.226 . 1 . . . . 105 ARG CB . 25381 1 1120 . 1 1 104 104 ARG CG C 13 29.593 0.317 . 1 . . . . 105 ARG CG . 25381 1 1121 . 1 1 104 104 ARG CD C 13 43.223 0.034 . 1 . . . . 105 ARG CD . 25381 1 1122 . 1 1 104 104 ARG N N 15 123.437 0.027 . 1 . . . . 105 ARG N . 25381 1 1123 . 1 1 105 105 TRP H H 1 6.556 0.025 . 1 . . . . 106 TRP H . 25381 1 1124 . 1 1 105 105 TRP HA H 1 4.473 0.104 . 1 . . . . 106 TRP HA . 25381 1 1125 . 1 1 105 105 TRP HB2 H 1 3.256 0 . 2 . . . . 106 TRP HB2 . 25381 1 1126 . 1 1 105 105 TRP HB3 H 1 3.377 0 . 2 . . . . 106 TRP HB3 . 25381 1 1127 . 1 1 105 105 TRP C C 13 173.869 0.017 . 1 . . . . 106 TRP C . 25381 1 1128 . 1 1 105 105 TRP CA C 13 58.917 0.006 . 1 . . . . 106 TRP CA . 25381 1 1129 . 1 1 105 105 TRP CB C 13 25.124 0.133 . 1 . . . . 106 TRP CB . 25381 1 1130 . 1 1 105 105 TRP N N 15 115.137 0.014 . 1 . . . . 106 TRP N . 25381 1 1131 . 1 1 106 106 LEU H H 1 7.048 0 . 1 . . . . 107 LEU H . 25381 1 1132 . 1 1 106 106 LEU HA H 1 4.663 0 . 1 . . . . 107 LEU HA . 25381 1 1133 . 1 1 106 106 LEU HB2 H 1 1.899 0 . 2 . . . . 107 LEU HB2 . 25381 1 1134 . 1 1 106 106 LEU HB3 H 1 1.666 0 . 2 . . . . 107 LEU HB3 . 25381 1 1135 . 1 1 106 106 LEU HG H 1 1.407 0.007 . 1 . . . . 107 LEU HG . 25381 1 1136 . 1 1 106 106 LEU HD11 H 1 0.972 0 . 2 . . . . 107 LEU HD1 . 25381 1 1137 . 1 1 106 106 LEU HD12 H 1 0.972 0 . 2 . . . . 107 LEU HD1 . 25381 1 1138 . 1 1 106 106 LEU HD13 H 1 0.972 0 . 2 . . . . 107 LEU HD1 . 25381 1 1139 . 1 1 106 106 LEU HD21 H 1 0.825 0 . 2 . . . . 107 LEU HD2 . 25381 1 1140 . 1 1 106 106 LEU HD22 H 1 0.825 0 . 2 . . . . 107 LEU HD2 . 25381 1 1141 . 1 1 106 106 LEU HD23 H 1 0.825 0 . 2 . . . . 107 LEU HD2 . 25381 1 1142 . 1 1 106 106 LEU C C 13 175.213 0.015 . 1 . . . . 107 LEU C . 25381 1 1143 . 1 1 106 106 LEU CA C 13 53.023 0.004 . 1 . . . . 107 LEU CA . 25381 1 1144 . 1 1 106 106 LEU CB C 13 45.941 6.835 . 1 . . . . 107 LEU CB . 25381 1 1145 . 1 1 106 106 LEU CG C 13 25.012 0 . 1 . . . . 107 LEU CG . 25381 1 1146 . 1 1 106 106 LEU CD1 C 13 22.31 0.032 . 2 . . . . 107 LEU CD1 . 25381 1 1147 . 1 1 106 106 LEU CD2 C 13 21.118 5.327 . 2 . . . . 107 LEU CD2 . 25381 1 1148 . 1 1 106 106 LEU N N 15 119.252 0.032 . 1 . . . . 107 LEU N . 25381 1 1149 . 1 1 107 107 THR H H 1 7.24 0.111 . 1 . . . . 108 THR H . 25381 1 1150 . 1 1 107 107 THR HA H 1 4.24 0 . 1 . . . . 108 THR HA . 25381 1 1151 . 1 1 107 107 THR HB H 1 4.707 0.002 . 1 . . . . 108 THR HB . 25381 1 1152 . 1 1 107 107 THR HG21 H 1 0.875 0 . 1 . . . . 108 THR HG2 . 25381 1 1153 . 1 1 107 107 THR HG22 H 1 0.875 0 . 1 . . . . 108 THR HG2 . 25381 1 1154 . 1 1 107 107 THR HG23 H 1 0.875 0 . 1 . . . . 108 THR HG2 . 25381 1 1155 . 1 1 107 107 THR C C 13 178.353 0.01 . 1 . . . . 108 THR C . 25381 1 1156 . 1 1 107 107 THR CA C 13 63.325 0.005 . 1 . . . . 108 THR CA . 25381 1 1157 . 1 1 107 107 THR CB C 13 69.149 0.141 . 1 . . . . 108 THR CB . 25381 1 1158 . 1 1 107 107 THR CG2 C 13 20.698 0.032 . 1 . . . . 108 THR CG2 . 25381 1 1159 . 1 1 107 107 THR N N 15 106.849 0.051 . 1 . . . . 108 THR N . 25381 1 1160 . 1 1 108 108 GLY H H 1 8.415 0.252 . 1 . . . . 109 GLY H . 25381 1 1161 . 1 1 108 108 GLY HA2 H 1 3.977 0.03 . 2 . . . . 109 GLY HA2 . 25381 1 1162 . 1 1 108 108 GLY HA3 H 1 4.059 0.025 . 2 . . . . 109 GLY HA3 . 25381 1 1163 . 1 1 108 108 GLY C C 13 174.689 0.007 . 1 . . . . 109 GLY C . 25381 1 1164 . 1 1 108 108 GLY CA C 13 46.182 0.005 . 1 . . . . 109 GLY CA . 25381 1 1165 . 1 1 108 108 GLY N N 15 113.488 0.051 . 1 . . . . 109 GLY N . 25381 1 1166 . 1 1 109 109 ARG H H 1 8.609 0 . 1 . . . . 110 ARG H . 25381 1 1167 . 1 1 109 109 ARG HA H 1 4.258 0 . 1 . . . . 110 ARG HA . 25381 1 1168 . 1 1 109 109 ARG HB2 H 1 1.634 0 . 2 . . . . 110 ARG HB2 . 25381 1 1169 . 1 1 109 109 ARG HB3 H 1 1.39 0 . 2 . . . . 110 ARG HB3 . 25381 1 1170 . 1 1 109 109 ARG HG2 H 1 1.103 0.024 . 2 . . . . 110 ARG HG2 . 25381 1 1171 . 1 1 109 109 ARG HD2 H 1 2.742 0 . 2 . . . . 110 ARG HD2 . 25381 1 1172 . 1 1 109 109 ARG HD3 H 1 2.826 0.049 . 2 . . . . 110 ARG HD3 . 25381 1 1173 . 1 1 109 109 ARG C C 13 173.194 0.028 . 1 . . . . 110 ARG C . 25381 1 1174 . 1 1 109 109 ARG CA C 13 56.244 0.01 . 1 . . . . 110 ARG CA . 25381 1 1175 . 1 1 109 109 ARG CB C 13 29.134 0.111 . 1 . . . . 110 ARG CB . 25381 1 1176 . 1 1 109 109 ARG CG C 13 24.713 0.201 . 1 . . . . 110 ARG CG . 25381 1 1177 . 1 1 109 109 ARG CD C 13 43.034 0 . 1 . . . . 110 ARG CD . 25381 1 1178 . 1 1 109 109 ARG N N 15 124.617 0.115 . 1 . . . . 110 ARG N . 25381 1 1179 . 1 1 110 110 PHE H H 1 7.214 0.027 . 1 . . . . 111 PHE H . 25381 1 1180 . 1 1 110 110 PHE HA H 1 4.569 0.246 . 1 . . . . 111 PHE HA . 25381 1 1181 . 1 1 110 110 PHE HB2 H 1 2.023 0 . 2 . . . . 111 PHE HB2 . 25381 1 1182 . 1 1 110 110 PHE HB3 H 1 2.223 0 . 2 . . . . 111 PHE HB3 . 25381 1 1183 . 1 1 110 110 PHE C C 13 173.29 0.019 . 1 . . . . 111 PHE C . 25381 1 1184 . 1 1 110 110 PHE CA C 13 57.377 0.006 . 1 . . . . 111 PHE CA . 25381 1 1185 . 1 1 110 110 PHE CB C 13 40.943 0.081 . 1 . . . . 111 PHE CB . 25381 1 1186 . 1 1 110 110 PHE N N 15 122.359 0 . 1 . . . . 111 PHE N . 25381 1 1187 . 1 1 111 111 ASP H H 1 8.633 0.02 . 1 . . . . 112 ASP H . 25381 1 1188 . 1 1 111 111 ASP HA H 1 5.128 0.048 . 1 . . . . 112 ASP HA . 25381 1 1189 . 1 1 111 111 ASP HB2 H 1 2.957 0 . 2 . . . . 112 ASP HB2 . 25381 1 1190 . 1 1 111 111 ASP HB3 H 1 2.641 0.019 . 2 . . . . 112 ASP HB3 . 25381 1 1191 . 1 1 111 111 ASP C C 13 173.995 0.008 . 1 . . . . 112 ASP C . 25381 1 1192 . 1 1 111 111 ASP CA C 13 52.968 0.007 . 1 . . . . 112 ASP CA . 25381 1 1193 . 1 1 111 111 ASP CB C 13 39.898 0.196 . 1 . . . . 112 ASP CB . 25381 1 1194 . 1 1 111 111 ASP N N 15 123.218 0.029 . 1 . . . . 112 ASP N . 25381 1 1195 . 1 1 112 112 SER H H 1 7.334 0.024 . 1 . . . . 113 SER H . 25381 1 1196 . 1 1 112 112 SER HA H 1 5.201 0.056 . 1 . . . . 113 SER HA . 25381 1 1197 . 1 1 112 112 SER HB2 H 1 3.609 0 . 2 . . . . 113 SER HB2 . 25381 1 1198 . 1 1 112 112 SER HB3 H 1 3.482 0 . 2 . . . . 113 SER HB3 . 25381 1 1199 . 1 1 112 112 SER HG H 1 5.55 0 . 1 . . . . 113 SER HG . 25381 1 1200 . 1 1 112 112 SER C C 13 170.482 0.027 . 1 . . . . 113 SER C . 25381 1 1201 . 1 1 112 112 SER CA C 13 56.655 0.008 . 1 . . . . 113 SER CA . 25381 1 1202 . 1 1 112 112 SER CB C 13 66.545 0.119 . 1 . . . . 113 SER CB . 25381 1 1203 . 1 1 112 112 SER N N 15 113.789 0.082 . 1 . . . . 113 SER N . 25381 1 1204 . 1 1 113 113 LEU H H 1 9.596 0 . 1 . . . . 114 LEU H . 25381 1 1205 . 1 1 113 113 LEU HA H 1 4.607 0 . 1 . . . . 114 LEU HA . 25381 1 1206 . 1 1 113 113 LEU HG H 1 1.51 0 . 1 . . . . 114 LEU HG . 25381 1 1207 . 1 1 113 113 LEU HD11 H 1 0.862 0 . 2 . . . . 114 LEU HD1 . 25381 1 1208 . 1 1 113 113 LEU HD12 H 1 0.862 0 . 2 . . . . 114 LEU HD1 . 25381 1 1209 . 1 1 113 113 LEU HD13 H 1 0.862 0 . 2 . . . . 114 LEU HD1 . 25381 1 1210 . 1 1 113 113 LEU HD21 H 1 0.627 0.007 . 2 . . . . 114 LEU HD2 . 25381 1 1211 . 1 1 113 113 LEU HD22 H 1 0.627 0.007 . 2 . . . . 114 LEU HD2 . 25381 1 1212 . 1 1 113 113 LEU HD23 H 1 0.627 0.007 . 2 . . . . 114 LEU HD2 . 25381 1 1213 . 1 1 113 113 LEU C C 13 172.006 0.008 . 1 . . . . 114 LEU C . 25381 1 1214 . 1 1 113 113 LEU CA C 13 54.393 0.129 . 1 . . . . 114 LEU CA . 25381 1 1215 . 1 1 113 113 LEU CB C 13 47.897 0 . 1 . . . . 114 LEU CB . 25381 1 1216 . 1 1 113 113 LEU CG C 13 26.667 0.201 . 1 . . . . 114 LEU CG . 25381 1 1217 . 1 1 113 113 LEU N N 15 123.585 0.039 . 1 . . . . 114 LEU N . 25381 1 1218 . 1 1 114 114 ALA H H 1 8.71 0.031 . 1 . . . . 115 ALA H . 25381 1 1219 . 1 1 114 114 ALA HA H 1 5.04 0.059 . 1 . . . . 115 ALA HA . 25381 1 1220 . 1 1 114 114 ALA HB1 H 1 1.179 0.195 . 1 . . . . 115 ALA HB . 25381 1 1221 . 1 1 114 114 ALA HB2 H 1 1.179 0.195 . 1 . . . . 115 ALA HB . 25381 1 1222 . 1 1 114 114 ALA HB3 H 1 1.179 0.195 . 1 . . . . 115 ALA HB . 25381 1 1223 . 1 1 114 114 ALA C C 13 174.244 0.014 . 1 . . . . 115 ALA C . 25381 1 1224 . 1 1 114 114 ALA CA C 13 50.771 0.006 . 1 . . . . 115 ALA CA . 25381 1 1225 . 1 1 114 114 ALA CB C 13 20.44 0.184 . 1 . . . . 115 ALA CB . 25381 1 1226 . 1 1 114 114 ALA N N 15 134.098 0.058 . 1 . . . . 115 ALA N . 25381 1 1227 . 1 1 115 115 VAL H H 1 9.2 0 . 1 . . . . 116 VAL H . 25381 1 1228 . 1 1 115 115 VAL HA H 1 5.804 0.002 . 1 . . . . 116 VAL HA . 25381 1 1229 . 1 1 115 115 VAL HB H 1 2.198 0.002 . 1 . . . . 116 VAL HB . 25381 1 1230 . 1 1 115 115 VAL HG11 H 1 1.256 0.366 . 2 . . . . 116 VAL HG1 . 25381 1 1231 . 1 1 115 115 VAL HG12 H 1 1.256 0.366 . 2 . . . . 116 VAL HG1 . 25381 1 1232 . 1 1 115 115 VAL HG13 H 1 1.256 0.366 . 2 . . . . 116 VAL HG1 . 25381 1 1233 . 1 1 115 115 VAL HG21 H 1 0.764 0 . 2 . . . . 116 VAL HG2 . 25381 1 1234 . 1 1 115 115 VAL HG22 H 1 0.764 0 . 2 . . . . 116 VAL HG2 . 25381 1 1235 . 1 1 115 115 VAL HG23 H 1 0.764 0 . 2 . . . . 116 VAL HG2 . 25381 1 1236 . 1 1 115 115 VAL C C 13 173.384 0.019 . 1 . . . . 116 VAL C . 25381 1 1237 . 1 1 115 115 VAL CA C 13 58.466 0.008 . 1 . . . . 116 VAL CA . 25381 1 1238 . 1 1 115 115 VAL CB C 13 35.919 0.077 . 1 . . . . 116 VAL CB . 25381 1 1239 . 1 1 115 115 VAL CG1 C 13 20.134 0.026 . 2 . . . . 116 VAL CG1 . 25381 1 1240 . 1 1 115 115 VAL CG2 C 13 22.986 0.245 . 2 . . . . 116 VAL CG2 . 25381 1 1241 . 1 1 115 115 VAL N N 15 114.917 0.026 . 1 . . . . 116 VAL N . 25381 1 1242 . 1 1 116 116 ARG H H 1 8.914 0 . 1 . . . . 117 ARG H . 25381 1 1243 . 1 1 116 116 ARG HA H 1 4.957 0 . 1 . . . . 117 ARG HA . 25381 1 1244 . 1 1 116 116 ARG C C 13 171.643 0.016 . 1 . . . . 117 ARG C . 25381 1 1245 . 1 1 116 116 ARG CA C 13 57.332 0.009 . 1 . . . . 117 ARG CA . 25381 1 1246 . 1 1 116 116 ARG N N 15 123.415 0 . 1 . . . . 117 ARG N . 25381 1 1247 . 1 1 117 117 VAL HA H 1 3.768 0.002 . 1 . . . . 118 VAL HA . 25381 1 1248 . 1 1 117 117 VAL HG11 H 1 0.429 0 . 2 . . . . 118 VAL HG1 . 25381 1 1249 . 1 1 117 117 VAL HG12 H 1 0.429 0 . 2 . . . . 118 VAL HG1 . 25381 1 1250 . 1 1 117 117 VAL HG13 H 1 0.429 0 . 2 . . . . 118 VAL HG1 . 25381 1 1251 . 1 1 117 117 VAL HG21 H 1 -0.429 0.031 . 2 . . . . 118 VAL HG2 . 25381 1 1252 . 1 1 117 117 VAL HG22 H 1 -0.429 0.031 . 2 . . . . 118 VAL HG2 . 25381 1 1253 . 1 1 117 117 VAL HG23 H 1 -0.429 0.031 . 2 . . . . 118 VAL HG2 . 25381 1 1254 . 1 1 117 117 VAL C C 13 172.451 0.072 . 1 . . . . 118 VAL C . 25381 1 1255 . 1 1 117 117 VAL CA C 13 60.85 0 . 1 . . . . 118 VAL CA . 25381 1 1256 . 1 1 117 117 VAL CB C 13 30.634 0.035 . 1 . . . . 118 VAL CB . 25381 1 1257 . 1 1 117 117 VAL CG1 C 13 20.698 0.018 . 1 . . . . 118 VAL CG1 . 25381 1 1258 . 1 1 117 117 VAL CG2 C 13 20.698 0.018 . 1 . . . . 118 VAL CG2 . 25381 1 1259 . 1 1 118 118 THR H H 1 7.22 0.111 . 1 . . . . 119 THR H . 25381 1 1260 . 1 1 118 118 THR HA H 1 4.445 0 . 1 . . . . 119 THR HA . 25381 1 1261 . 1 1 118 118 THR HB H 1 3.837 0 . 1 . . . . 119 THR HB . 25381 1 1262 . 1 1 118 118 THR HG21 H 1 0.936 0.1 . 1 . . . . 119 THR HG2 . 25381 1 1263 . 1 1 118 118 THR HG22 H 1 0.936 0.1 . 1 . . . . 119 THR HG2 . 25381 1 1264 . 1 1 118 118 THR HG23 H 1 0.936 0.1 . 1 . . . . 119 THR HG2 . 25381 1 1265 . 1 1 118 118 THR C C 13 169.695 0.01 . 1 . . . . 119 THR C . 25381 1 1266 . 1 1 118 118 THR CA C 13 60.303 0.011 . 1 . . . . 119 THR CA . 25381 1 1267 . 1 1 118 118 THR CB C 13 69.547 0.107 . 1 . . . . 119 THR CB . 25381 1 1268 . 1 1 118 118 THR CG2 C 13 18.807 0 . 1 . . . . 119 THR CG2 . 25381 1 1269 . 1 1 118 118 THR N N 15 119.817 0.029 . 1 . . . . 119 THR N . 25381 1 1270 . 1 1 119 119 ASP H H 1 8.543 0.035 . 1 . . . . 120 ASP H . 25381 1 1271 . 1 1 119 119 ASP HA H 1 4.43 0.083 . 1 . . . . 120 ASP HA . 25381 1 1272 . 1 1 119 119 ASP HB2 H 1 2.909 0 . 2 . . . . 120 ASP HB2 . 25381 1 1273 . 1 1 119 119 ASP HB3 H 1 2.057 0 . 2 . . . . 120 ASP HB3 . 25381 1 1274 . 1 1 119 119 ASP C C 13 176.222 0.015 . 1 . . . . 120 ASP C . 25381 1 1275 . 1 1 119 119 ASP CA C 13 51.852 0.005 . 1 . . . . 120 ASP CA . 25381 1 1276 . 1 1 119 119 ASP CB C 13 41.222 0.197 . 1 . . . . 120 ASP CB . 25381 1 1277 . 1 1 119 119 ASP N N 15 123.103 0.058 . 1 . . . . 120 ASP N . 25381 1 1278 . 1 1 120 120 HIS H H 1 8.748 0 . 1 . . . . 121 HIS H . 25381 1 1279 . 1 1 120 120 HIS C C 13 173.663 0.018 . 1 . . . . 121 HIS C . 25381 1 1280 . 1 1 120 120 HIS CA C 13 56.695 0.004 . 1 . . . . 121 HIS CA . 25381 1 1281 . 1 1 120 120 HIS CB C 13 31.574 0.05 . 1 . . . . 121 HIS CB . 25381 1 1282 . 1 1 120 120 HIS N N 15 130.229 0 . 1 . . . . 121 HIS N . 25381 1 1283 . 1 1 121 121 PRO HA H 1 3.819 0 . 1 . . . . 122 PRO HA . 25381 1 1284 . 1 1 121 121 PRO HB2 H 1 2.442 0.014 . 1 . . . . 122 PRO HB2 . 25381 1 1285 . 1 1 121 121 PRO HB3 H 1 2.442 0.014 . 1 . . . . 122 PRO HB3 . 25381 1 1286 . 1 1 121 121 PRO HG2 H 1 1.829 0.015 . 1 . . . . 122 PRO HG2 . 25381 1 1287 . 1 1 121 121 PRO HG3 H 1 1.829 0.015 . 1 . . . . 122 PRO HG3 . 25381 1 1288 . 1 1 121 121 PRO HD2 H 1 2.691 0 . 2 . . . . 122 PRO HD2 . 25381 1 1289 . 1 1 121 121 PRO HD3 H 1 2.789 0 . 2 . . . . 122 PRO HD3 . 25381 1 1290 . 1 1 121 121 PRO C C 13 173.058 0.099 . 1 . . . . 122 PRO C . 25381 1 1291 . 1 1 121 121 PRO CA C 13 65.226 0.1 . 1 . . . . 122 PRO CA . 25381 1 1292 . 1 1 121 121 PRO CB C 13 32.133 0.002 . 1 . . . . 122 PRO CB . 25381 1 1293 . 1 1 121 121 PRO CG C 13 27.264 0.244 . 1 . . . . 122 PRO CG . 25381 1 1294 . 1 1 121 121 PRO CD C 13 50.346 0.067 . 1 . . . . 122 PRO CD . 25381 1 1295 . 1 1 122 122 LEU H H 1 8.74 0.155 . 1 . . . . 123 LEU H . 25381 1 1296 . 1 1 122 122 LEU HA H 1 4.275 0.119 . 1 . . . . 123 LEU HA . 25381 1 1297 . 1 1 122 122 LEU HB2 H 1 1.756 0 . 2 . . . . 123 LEU HB2 . 25381 1 1298 . 1 1 122 122 LEU HB3 H 1 1.693 0.125 . 2 . . . . 123 LEU HB3 . 25381 1 1299 . 1 1 122 122 LEU HG H 1 1.171 0 . 1 . . . . 123 LEU HG . 25381 1 1300 . 1 1 122 122 LEU HD11 H 1 0.832 0 . 2 . . . . 123 LEU HD1 . 25381 1 1301 . 1 1 122 122 LEU HD12 H 1 0.832 0 . 2 . . . . 123 LEU HD1 . 25381 1 1302 . 1 1 122 122 LEU HD13 H 1 0.832 0 . 2 . . . . 123 LEU HD1 . 25381 1 1303 . 1 1 122 122 LEU HD21 H 1 0.988 0 . 2 . . . . 123 LEU HD2 . 25381 1 1304 . 1 1 122 122 LEU HD22 H 1 0.988 0 . 2 . . . . 123 LEU HD2 . 25381 1 1305 . 1 1 122 122 LEU HD23 H 1 0.988 0 . 2 . . . . 123 LEU HD2 . 25381 1 1306 . 1 1 122 122 LEU C C 13 176.924 0.009 . 1 . . . . 123 LEU C . 25381 1 1307 . 1 1 122 122 LEU CA C 13 57.006 0.006 . 1 . . . . 123 LEU CA . 25381 1 1308 . 1 1 122 122 LEU CB C 13 42.237 0.127 . 1 . . . . 123 LEU CB . 25381 1 1309 . 1 1 122 122 LEU CG C 13 23.657 0.007 . 1 . . . . 123 LEU CG . 25381 1 1310 . 1 1 122 122 LEU N N 15 123.63 0.104 . 1 . . . . 123 LEU N . 25381 1 1311 . 1 1 123 123 VAL H H 1 7.485 0 . 1 . . . . 124 VAL H . 25381 1 1312 . 1 1 123 123 VAL HA H 1 3.185 0.005 . 1 . . . . 124 VAL HA . 25381 1 1313 . 1 1 123 123 VAL HB H 1 1.959 0.018 . 1 . . . . 124 VAL HB . 25381 1 1314 . 1 1 123 123 VAL HG11 H 1 0.629 0.149 . 2 . . . . 124 VAL HG1 . 25381 1 1315 . 1 1 123 123 VAL HG12 H 1 0.629 0.149 . 2 . . . . 124 VAL HG1 . 25381 1 1316 . 1 1 123 123 VAL HG13 H 1 0.629 0.149 . 2 . . . . 124 VAL HG1 . 25381 1 1317 . 1 1 123 123 VAL HG21 H 1 0.828 0.05 . 2 . . . . 124 VAL HG2 . 25381 1 1318 . 1 1 123 123 VAL HG22 H 1 0.828 0.05 . 2 . . . . 124 VAL HG2 . 25381 1 1319 . 1 1 123 123 VAL HG23 H 1 0.828 0.05 . 2 . . . . 124 VAL HG2 . 25381 1 1320 . 1 1 123 123 VAL C C 13 176.687 0.015 . 1 . . . . 124 VAL C . 25381 1 1321 . 1 1 123 123 VAL CA C 13 66.715 0.014 . 1 . . . . 124 VAL CA . 25381 1 1322 . 1 1 123 123 VAL CB C 13 31.223 0.064 . 1 . . . . 124 VAL CB . 25381 1 1323 . 1 1 123 123 VAL CG1 C 13 24.429 0.029 . 2 . . . . 124 VAL CG1 . 25381 1 1324 . 1 1 123 123 VAL CG2 C 13 23.334 0.13 . 2 . . . . 124 VAL CG2 . 25381 1 1325 . 1 1 123 123 VAL N N 15 121.948 0.041 . 1 . . . . 124 VAL N . 25381 1 1326 . 1 1 124 124 VAL H H 1 8.539 0.083 . 1 . . . . 125 VAL H . 25381 1 1327 . 1 1 124 124 VAL HA H 1 3.13 0.003 . 1 . . . . 125 VAL HA . 25381 1 1328 . 1 1 124 124 VAL HB H 1 1.845 0.013 . 1 . . . . 125 VAL HB . 25381 1 1329 . 1 1 124 124 VAL HG11 H 1 0.923 0.002 . 2 . . . . 125 VAL HG1 . 25381 1 1330 . 1 1 124 124 VAL HG12 H 1 0.923 0.002 . 2 . . . . 125 VAL HG1 . 25381 1 1331 . 1 1 124 124 VAL HG13 H 1 0.923 0.002 . 2 . . . . 125 VAL HG1 . 25381 1 1332 . 1 1 124 124 VAL HG21 H 1 0.748 0 . 2 . . . . 125 VAL HG2 . 25381 1 1333 . 1 1 124 124 VAL HG22 H 1 0.748 0 . 2 . . . . 125 VAL HG2 . 25381 1 1334 . 1 1 124 124 VAL HG23 H 1 0.748 0 . 2 . . . . 125 VAL HG2 . 25381 1 1335 . 1 1 124 124 VAL C C 13 175.87 0.033 . 1 . . . . 125 VAL C . 25381 1 1336 . 1 1 124 124 VAL CA C 13 67.653 0.007 . 1 . . . . 125 VAL CA . 25381 1 1337 . 1 1 124 124 VAL CB C 13 31.8 0.097 . 1 . . . . 125 VAL CB . 25381 1 1338 . 1 1 124 124 VAL CG1 C 13 24.578 0.029 . 1 . . . . 125 VAL CG1 . 25381 1 1339 . 1 1 124 124 VAL CG2 C 13 24.578 0.029 . 1 . . . . 125 VAL CG2 . 25381 1 1340 . 1 1 124 124 VAL N N 15 120.958 0.025 . 1 . . . . 125 VAL N . 25381 1 1341 . 1 1 125 125 ALA H H 1 7.445 0.035 . 1 . . . . 126 ALA H . 25381 1 1342 . 1 1 125 125 ALA HA H 1 3.986 0.002 . 1 . . . . 126 ALA HA . 25381 1 1343 . 1 1 125 125 ALA HB1 H 1 1.369 0.267 . 1 . . . . 126 ALA HB . 25381 1 1344 . 1 1 125 125 ALA HB2 H 1 1.369 0.267 . 1 . . . . 126 ALA HB . 25381 1 1345 . 1 1 125 125 ALA HB3 H 1 1.369 0.267 . 1 . . . . 126 ALA HB . 25381 1 1346 . 1 1 125 125 ALA C C 13 179.476 0 . 1 . . . . 126 ALA C . 25381 1 1347 . 1 1 125 125 ALA CA C 13 55.299 0.004 . 1 . . . . 126 ALA CA . 25381 1 1348 . 1 1 125 125 ALA CB C 13 18.011 0.206 . 1 . . . . 126 ALA CB . 25381 1 1349 . 1 1 125 125 ALA N N 15 121.912 0.025 . 1 . . . . 126 ALA N . 25381 1 1350 . 1 1 126 126 LEU H H 1 8.669 0.002 . 1 . . . . 127 LEU H . 25381 1 1351 . 1 1 126 126 LEU HA H 1 3.956 0 . 1 . . . . 127 LEU HA . 25381 1 1352 . 1 1 126 126 LEU HB2 H 1 1.207 0.003 . 2 . . . . 127 LEU HB2 . 25381 1 1353 . 1 1 126 126 LEU HB3 H 1 1.31 0 . 2 . . . . 127 LEU HB3 . 25381 1 1354 . 1 1 126 126 LEU HD11 H 1 0.542 0 . 2 . . . . 127 LEU HD1 . 25381 1 1355 . 1 1 126 126 LEU HD12 H 1 0.542 0 . 2 . . . . 127 LEU HD1 . 25381 1 1356 . 1 1 126 126 LEU HD13 H 1 0.542 0 . 2 . . . . 127 LEU HD1 . 25381 1 1357 . 1 1 126 126 LEU HD21 H 1 0.163 0 . 2 . . . . 127 LEU HD2 . 25381 1 1358 . 1 1 126 126 LEU HD22 H 1 0.163 0 . 2 . . . . 127 LEU HD2 . 25381 1 1359 . 1 1 126 126 LEU HD23 H 1 0.163 0 . 2 . . . . 127 LEU HD2 . 25381 1 1360 . 1 1 126 126 LEU C C 13 176.544 0.021 . 1 . . . . 127 LEU C . 25381 1 1361 . 1 1 126 126 LEU CA C 13 58.538 0.009 . 1 . . . . 127 LEU CA . 25381 1 1362 . 1 1 126 126 LEU CB C 13 42.361 0.154 . 1 . . . . 127 LEU CB . 25381 1 1363 . 1 1 126 126 LEU CD1 C 13 25.473 0.024 . 2 . . . . 127 LEU CD1 . 25381 1 1364 . 1 1 126 126 LEU CD2 C 13 23.683 0.123 . 2 . . . . 127 LEU CD2 . 25381 1 1365 . 1 1 126 126 LEU N N 15 123.493 0.015 . 1 . . . . 127 LEU N . 25381 1 1366 . 1 1 127 127 CYS H H 1 9.001 0.02 . 1 . . . . 128 CYS H . 25381 1 1367 . 1 1 127 127 CYS HA H 1 4.196 0.145 . 1 . . . . 128 CYS HA . 25381 1 1368 . 1 1 127 127 CYS HB2 H 1 2.57 0 . 2 . . . . 128 CYS HB2 . 25381 1 1369 . 1 1 127 127 CYS HB3 H 1 2.49 0.011 . 2 . . . . 128 CYS HB3 . 25381 1 1370 . 1 1 127 127 CYS HG H 1 1.232 0.006 . 1 . . . . 128 CYS HG . 25381 1 1371 . 1 1 127 127 CYS C C 13 177.798 0.013 . 1 . . . . 128 CYS C . 25381 1 1372 . 1 1 127 127 CYS CA C 13 65.208 0.006 . 1 . . . . 128 CYS CA . 25381 1 1373 . 1 1 127 127 CYS CB C 13 26.945 0.094 . 1 . . . . 128 CYS CB . 25381 1 1374 . 1 1 127 127 CYS N N 15 118.765 0.044 . 1 . . . . 128 CYS N . 25381 1 1375 . 1 1 128 128 GLN H H 1 8.853 0.167 . 1 . . . . 129 GLN H . 25381 1 1376 . 1 1 128 128 GLN HA H 1 3.804 0 . 1 . . . . 129 GLN HA . 25381 1 1377 . 1 1 128 128 GLN HB2 H 1 1.829 0.019 . 2 . . . . 129 GLN HB2 . 25381 1 1378 . 1 1 128 128 GLN HB3 H 1 1.998 0.099 . 2 . . . . 129 GLN HB3 . 25381 1 1379 . 1 1 128 128 GLN HG2 H 1 2.126 0.003 . 2 . . . . 129 GLN HG2 . 25381 1 1380 . 1 1 128 128 GLN HG3 H 1 2.354 0 . 2 . . . . 129 GLN HG3 . 25381 1 1381 . 1 1 128 128 GLN C C 13 176.678 0.013 . 1 . . . . 129 GLN C . 25381 1 1382 . 1 1 128 128 GLN CA C 13 59.381 0.006 . 1 . . . . 129 GLN CA . 25381 1 1383 . 1 1 128 128 GLN CB C 13 28.109 0.134 . 1 . . . . 129 GLN CB . 25381 1 1384 . 1 1 128 128 GLN CG C 13 34.13 0.029 . 1 . . . . 129 GLN CG . 25381 1 1385 . 1 1 128 128 GLN N N 15 122.609 0.044 . 1 . . . . 129 GLN N . 25381 1 1386 . 1 1 129 129 ALA H H 1 7.779 0.015 . 1 . . . . 130 ALA H . 25381 1 1387 . 1 1 129 129 ALA HA H 1 4.057 0.021 . 1 . . . . 130 ALA HA . 25381 1 1388 . 1 1 129 129 ALA HB1 H 1 1.359 0.108 . 1 . . . . 130 ALA HB . 25381 1 1389 . 1 1 129 129 ALA HB2 H 1 1.359 0.108 . 1 . . . . 130 ALA HB . 25381 1 1390 . 1 1 129 129 ALA HB3 H 1 1.359 0.108 . 1 . . . . 130 ALA HB . 25381 1 1391 . 1 1 129 129 ALA C C 13 177.984 0.036 . 1 . . . . 130 ALA C . 25381 1 1392 . 1 1 129 129 ALA CA C 13 54.528 0.006 . 1 . . . . 130 ALA CA . 25381 1 1393 . 1 1 129 129 ALA CB C 13 18.767 0.213 . 1 . . . . 130 ALA CB . 25381 1 1394 . 1 1 129 129 ALA N N 15 122.827 0.025 . 1 . . . . 130 ALA N . 25381 1 1395 . 1 1 130 130 TYR H H 1 8.961 0.018 . 1 . . . . 131 TYR H . 25381 1 1396 . 1 1 130 130 TYR HA H 1 4.449 0.161 . 1 . . . . 131 TYR HA . 25381 1 1397 . 1 1 130 130 TYR HB2 H 1 3.329 0 . 2 . . . . 131 TYR HB2 . 25381 1 1398 . 1 1 130 130 TYR HB3 H 1 3.111 0 . 2 . . . . 131 TYR HB3 . 25381 1 1399 . 1 1 130 130 TYR C C 13 175.445 0.027 . 1 . . . . 131 TYR C . 25381 1 1400 . 1 1 130 130 TYR CA C 13 57.732 0.009 . 1 . . . . 131 TYR CA . 25381 1 1401 . 1 1 130 130 TYR CB C 13 39.526 0.109 . 1 . . . . 131 TYR CB . 25381 1 1402 . 1 1 130 130 TYR N N 15 120.835 0.096 . 1 . . . . 131 TYR N . 25381 1 1403 . 1 1 131 131 GLY H H 1 8.031 0.181 . 1 . . . . 132 GLY H . 25381 1 1404 . 1 1 131 131 GLY HA2 H 1 3.49 0.022 . 2 . . . . 132 GLY HA2 . 25381 1 1405 . 1 1 131 131 GLY HA3 H 1 3.967 0.037 . 2 . . . . 132 GLY HA3 . 25381 1 1406 . 1 1 131 131 GLY C C 13 171.502 0 . 1 . . . . 132 GLY C . 25381 1 1407 . 1 1 131 131 GLY CA C 13 44.783 0.005 . 1 . . . . 132 GLY CA . 25381 1 1408 . 1 1 131 131 GLY N N 15 105.241 0.068 . 1 . . . . 132 GLY N . 25381 1 1409 . 1 1 132 132 LYS H H 1 7.577 0 . 1 . . . . 133 LYS H . 25381 1 1410 . 1 1 132 132 LYS HA H 1 4.594 0 . 1 . . . . 133 LYS HA . 25381 1 1411 . 1 1 132 132 LYS HB2 H 1 1.837 0 . 2 . . . . 133 LYS HB2 . 25381 1 1412 . 1 1 132 132 LYS HB3 H 1 1.723 0 . 2 . . . . 133 LYS HB3 . 25381 1 1413 . 1 1 132 132 LYS CA C 13 54.472 0.006 . 1 . . . . 133 LYS CA . 25381 1 1414 . 1 1 132 132 LYS CB C 13 33.454 0.025 . 1 . . . . 133 LYS CB . 25381 1 1415 . 1 1 132 132 LYS N N 15 120.84 0 . 1 . . . . 133 LYS N . 25381 1 1416 . 1 1 133 133 PRO HA H 1 4.733 0 . 1 . . . . 134 PRO HA . 25381 1 1417 . 1 1 133 133 PRO HB2 H 1 2.006 0 . 2 . . . . 134 PRO HB2 . 25381 1 1418 . 1 1 133 133 PRO HB3 H 1 2.37 0 . 2 . . . . 134 PRO HB3 . 25381 1 1419 . 1 1 133 133 PRO HG2 H 1 1.193 0.01 . 2 . . . . 134 PRO HG2 . 25381 1 1420 . 1 1 133 133 PRO HG3 H 1 1.322 0.038 . 2 . . . . 134 PRO HG3 . 25381 1 1421 . 1 1 133 133 PRO HD2 H 1 3.445 0 . 2 . . . . 134 PRO HD2 . 25381 1 1422 . 1 1 133 133 PRO HD3 H 1 3.842 0.005 . 2 . . . . 134 PRO HD3 . 25381 1 1423 . 1 1 133 133 PRO CA C 13 62.111 0.13 . 1 . . . . 134 PRO CA . 25381 1 1424 . 1 1 133 133 PRO CB C 13 33.825 0 . 1 . . . . 134 PRO CB . 25381 1 1425 . 1 1 133 133 PRO CG C 13 28.657 0 . 1 . . . . 134 PRO CG . 25381 1 1426 . 1 1 133 133 PRO CD C 13 50.944 0.026 . 1 . . . . 134 PRO CD . 25381 1 1427 . 1 1 134 134 LEU H H 1 8.047 0.32 . 1 . . . . 135 LEU H . 25381 1 1428 . 1 1 134 134 LEU HA H 1 4.799 0 . 1 . . . . 135 LEU HA . 25381 1 1429 . 1 1 134 134 LEU HB2 H 1 1.346 0 . 2 . . . . 135 LEU HB2 . 25381 1 1430 . 1 1 134 134 LEU HB3 H 1 1.395 0.15 . 2 . . . . 135 LEU HB3 . 25381 1 1431 . 1 1 134 134 LEU HG H 1 1.062 0.17 . 1 . . . . 135 LEU HG . 25381 1 1432 . 1 1 134 134 LEU HD11 H 1 0.104 0 . 2 . . . . 135 LEU HD1 . 25381 1 1433 . 1 1 134 134 LEU HD12 H 1 0.104 0 . 2 . . . . 135 LEU HD1 . 25381 1 1434 . 1 1 134 134 LEU HD13 H 1 0.104 0 . 2 . . . . 135 LEU HD1 . 25381 1 1435 . 1 1 134 134 LEU HD21 H 1 0.107 0 . 2 . . . . 135 LEU HD2 . 25381 1 1436 . 1 1 134 134 LEU HD22 H 1 0.107 0 . 2 . . . . 135 LEU HD2 . 25381 1 1437 . 1 1 134 134 LEU HD23 H 1 0.107 0 . 2 . . . . 135 LEU HD2 . 25381 1 1438 . 1 1 134 134 LEU C C 13 177.456 0.014 . 1 . . . . 135 LEU C . 25381 1 1439 . 1 1 134 134 LEU CA C 13 52.729 0.006 . 1 . . . . 135 LEU CA . 25381 1 1440 . 1 1 134 134 LEU CB C 13 45.694 0.127 . 1 . . . . 135 LEU CB . 25381 1 1441 . 1 1 134 134 LEU CG C 13 25.424 0.008 . 1 . . . . 135 LEU CG . 25381 1 1442 . 1 1 134 134 LEU N N 15 113.273 0.044 . 1 . . . . 135 LEU N . 25381 1 1443 . 1 1 135 135 VAL H H 1 7.445 0.019 . 1 . . . . 136 VAL H . 25381 1 1444 . 1 1 135 135 VAL HA H 1 4.373 0.002 . 1 . . . . 136 VAL HA . 25381 1 1445 . 1 1 135 135 VAL HB H 1 1.861 0.021 . 1 . . . . 136 VAL HB . 25381 1 1446 . 1 1 135 135 VAL HG11 H 1 0.875 0 . 2 . . . . 136 VAL HG1 . 25381 1 1447 . 1 1 135 135 VAL HG12 H 1 0.875 0 . 2 . . . . 136 VAL HG1 . 25381 1 1448 . 1 1 135 135 VAL HG13 H 1 0.875 0 . 2 . . . . 136 VAL HG1 . 25381 1 1449 . 1 1 135 135 VAL HG21 H 1 1.058 0 . 2 . . . . 136 VAL HG2 . 25381 1 1450 . 1 1 135 135 VAL HG22 H 1 1.058 0 . 2 . . . . 136 VAL HG2 . 25381 1 1451 . 1 1 135 135 VAL HG23 H 1 1.058 0 . 2 . . . . 136 VAL HG2 . 25381 1 1452 . 1 1 135 135 VAL C C 13 174.541 0 . 1 . . . . 136 VAL C . 25381 1 1453 . 1 1 135 135 VAL CA C 13 63.623 0.009 . 1 . . . . 136 VAL CA . 25381 1 1454 . 1 1 135 135 VAL CB C 13 32.755 0.06 . 1 . . . . 136 VAL CB . 25381 1 1455 . 1 1 135 135 VAL CG1 C 13 25.175 0.011 . 2 . . . . 136 VAL CG1 . 25381 1 1456 . 1 1 135 135 VAL CG2 C 13 23.782 0.048 . 2 . . . . 136 VAL CG2 . 25381 1 1457 . 1 1 135 135 VAL N N 15 121.108 0.017 . 1 . . . . 136 VAL N . 25381 1 1458 . 1 1 136 136 SER H H 1 8.949 0.034 . 1 . . . . 137 SER H . 25381 1 1459 . 1 1 136 136 SER HA H 1 4.884 0.106 . 1 . . . . 137 SER HA . 25381 1 1460 . 1 1 136 136 SER HB2 H 1 3.095 0.006 . 2 . . . . 137 SER HB2 . 25381 1 1461 . 1 1 136 136 SER HB3 H 1 3.463 0 . 2 . . . . 137 SER HB3 . 25381 1 1462 . 1 1 136 136 SER C C 13 172.078 0.025 . 1 . . . . 137 SER C . 25381 1 1463 . 1 1 136 136 SER CA C 13 58.578 0.004 . 1 . . . . 137 SER CA . 25381 1 1464 . 1 1 136 136 SER CB C 13 66.225 0.123 . 1 . . . . 137 SER CB . 25381 1 1465 . 1 1 136 136 SER N N 15 122.661 0.044 . 1 . . . . 137 SER N . 25381 1 1466 . 1 1 137 137 THR H H 1 8.361 0 . 1 . . . . 138 THR H . 25381 1 1467 . 1 1 137 137 THR HA H 1 4.732 0 . 1 . . . . 138 THR HA . 25381 1 1468 . 1 1 137 137 THR HB H 1 4.257 0 . 1 . . . . 138 THR HB . 25381 1 1469 . 1 1 137 137 THR C C 13 171.239 0.004 . 1 . . . . 138 THR C . 25381 1 1470 . 1 1 137 137 THR CA C 13 59.571 0.007 . 1 . . . . 138 THR CA . 25381 1 1471 . 1 1 137 137 THR CB C 13 69.57 0.149 . 1 . . . . 138 THR CB . 25381 1 1472 . 1 1 137 137 THR N N 15 123.977 0 . 1 . . . . 138 THR N . 25381 1 1473 . 1 1 138 138 SER HA H 1 4.097 0 . 1 . . . . 139 SER HA . 25381 1 1474 . 1 1 138 138 SER HB2 H 1 3.782 0 . 2 . . . . 139 SER HB2 . 25381 1 1475 . 1 1 138 138 SER HB3 H 1 3.881 0.016 . 2 . . . . 139 SER HB3 . 25381 1 1476 . 1 1 138 138 SER C C 13 174.145 0.116 . 1 . . . . 139 SER C . 25381 1 1477 . 1 1 138 138 SER CA C 13 60.31 0.005 . 1 . . . . 139 SER CA . 25381 1 1478 . 1 1 138 138 SER CB C 13 63.58 0.092 . 1 . . . . 139 SER CB . 25381 1 1479 . 1 1 139 139 ALA H H 1 8.89 0.03 . 1 . . . . 140 ALA H . 25381 1 1480 . 1 1 139 139 ALA HA H 1 4.292 0.014 . 1 . . . . 140 ALA HA . 25381 1 1481 . 1 1 139 139 ALA HB1 H 1 0.827 0.223 . 1 . . . . 140 ALA HB . 25381 1 1482 . 1 1 139 139 ALA HB2 H 1 0.827 0.223 . 1 . . . . 140 ALA HB . 25381 1 1483 . 1 1 139 139 ALA HB3 H 1 0.827 0.223 . 1 . . . . 140 ALA HB . 25381 1 1484 . 1 1 139 139 ALA C C 13 171.873 0.008 . 1 . . . . 140 ALA C . 25381 1 1485 . 1 1 139 139 ALA CA C 13 51.17 0.009 . 1 . . . . 140 ALA CA . 25381 1 1486 . 1 1 139 139 ALA CB C 13 17.031 0.242 . 1 . . . . 140 ALA CB . 25381 1 1487 . 1 1 139 139 ALA N N 15 127.002 0.092 . 1 . . . . 140 ALA N . 25381 1 1488 . 1 1 140 140 ASN H H 1 7.493 0.042 . 1 . . . . 141 ASN H . 25381 1 1489 . 1 1 140 140 ASN HA H 1 4.977 0.106 . 1 . . . . 141 ASN HA . 25381 1 1490 . 1 1 140 140 ASN HB2 H 1 3.251 0 . 2 . . . . 141 ASN HB2 . 25381 1 1491 . 1 1 140 140 ASN HB3 H 1 3.182 0 . 2 . . . . 141 ASN HB3 . 25381 1 1492 . 1 1 140 140 ASN C C 13 173.216 0.013 . 1 . . . . 141 ASN C . 25381 1 1493 . 1 1 140 140 ASN CA C 13 53.779 0.005 . 1 . . . . 141 ASN CA . 25381 1 1494 . 1 1 140 140 ASN CB C 13 40.556 0.156 . 1 . . . . 141 ASN CB . 25381 1 1495 . 1 1 140 140 ASN N N 15 122.123 0.051 . 1 . . . . 141 ASN N . 25381 1 1496 . 1 1 141 141 LEU H H 1 8.213 0.005 . 1 . . . . 142 LEU H . 25381 1 1497 . 1 1 141 141 LEU HA H 1 4.275 0.002 . 1 . . . . 142 LEU HA . 25381 1 1498 . 1 1 141 141 LEU HB2 H 1 0.893 0.094 . 2 . . . . 142 LEU HB2 . 25381 1 1499 . 1 1 141 141 LEU HB3 H 1 1.006 0.01 . 2 . . . . 142 LEU HB3 . 25381 1 1500 . 1 1 141 141 LEU HD11 H 1 0.454 0.002 . 2 . . . . 142 LEU HD1 . 25381 1 1501 . 1 1 141 141 LEU HD12 H 1 0.454 0.002 . 2 . . . . 142 LEU HD1 . 25381 1 1502 . 1 1 141 141 LEU HD13 H 1 0.454 0.002 . 2 . . . . 142 LEU HD1 . 25381 1 1503 . 1 1 141 141 LEU HD21 H 1 0.446 0.006 . 2 . . . . 142 LEU HD2 . 25381 1 1504 . 1 1 141 141 LEU HD22 H 1 0.446 0.006 . 2 . . . . 142 LEU HD2 . 25381 1 1505 . 1 1 141 141 LEU HD23 H 1 0.446 0.006 . 2 . . . . 142 LEU HD2 . 25381 1 1506 . 1 1 141 141 LEU C C 13 176.482 0.068 . 1 . . . . 142 LEU C . 25381 1 1507 . 1 1 141 141 LEU CA C 13 53.429 0.012 . 1 . . . . 142 LEU CA . 25381 1 1508 . 1 1 141 141 LEU CB C 13 41.651 0.147 . 1 . . . . 142 LEU CB . 25381 1 1509 . 1 1 141 141 LEU CG C 13 24.913 0.117 . 1 . . . . 142 LEU CG . 25381 1 1510 . 1 1 141 141 LEU CD1 C 13 22.526 0.047 . 1 . . . . 142 LEU CD1 . 25381 1 1511 . 1 1 141 141 LEU CD2 C 13 22.526 0.047 . 1 . . . . 142 LEU CD2 . 25381 1 1512 . 1 1 141 141 LEU N N 15 123.208 0.015 . 1 . . . . 142 LEU N . 25381 1 1513 . 1 1 142 142 SER H H 1 8.935 0 . 1 . . . . 143 SER H . 25381 1 1514 . 1 1 142 142 SER HA H 1 3.992 0.111 . 1 . . . . 143 SER HA . 25381 1 1515 . 1 1 142 142 SER HB2 H 1 3.64 0 . 2 . . . . 143 SER HB2 . 25381 1 1516 . 1 1 142 142 SER HB3 H 1 3.819 0 . 2 . . . . 143 SER HB3 . 25381 1 1517 . 1 1 142 142 SER C C 13 175.186 0.023 . 1 . . . . 143 SER C . 25381 1 1518 . 1 1 142 142 SER CA C 13 60.151 0.006 . 1 . . . . 143 SER CA . 25381 1 1519 . 1 1 142 142 SER CB C 13 62.682 0.142 . 1 . . . . 143 SER CB . 25381 1 1520 . 1 1 142 142 SER N N 15 117.319 0.044 . 1 . . . . 143 SER N . 25381 1 1521 . 1 1 143 143 GLY H H 1 8.898 0.232 . 1 . . . . 144 GLY H . 25381 1 1522 . 1 1 143 143 GLY HA2 H 1 3.605 0.005 . 2 . . . . 144 GLY HA2 . 25381 1 1523 . 1 1 143 143 GLY HA3 H 1 4.068 0.005 . 2 . . . . 144 GLY HA3 . 25381 1 1524 . 1 1 143 143 GLY C C 13 172.244 0.002 . 1 . . . . 144 GLY C . 25381 1 1525 . 1 1 143 143 GLY CA C 13 45.389 0.012 . 1 . . . . 144 GLY CA . 25381 1 1526 . 1 1 143 143 GLY N N 15 116.524 0.03 . 1 . . . . 144 GLY N . 25381 1 1527 . 1 1 144 144 LEU H H 1 7.93 0 . 1 . . . . 145 LEU H . 25381 1 1528 . 1 1 144 144 LEU HA H 1 4.782 0 . 1 . . . . 145 LEU HA . 25381 1 1529 . 1 1 144 144 LEU HB2 H 1 1.586 0 . 2 . . . . 145 LEU HB2 . 25381 1 1530 . 1 1 144 144 LEU HB3 H 1 1.448 0 . 2 . . . . 145 LEU HB3 . 25381 1 1531 . 1 1 144 144 LEU C C 13 172.917 0.027 . 1 . . . . 145 LEU C . 25381 1 1532 . 1 1 144 144 LEU CA C 13 52.557 0.005 . 1 . . . . 145 LEU CA . 25381 1 1533 . 1 1 144 144 LEU CB C 13 40.319 0.1 . 1 . . . . 145 LEU CB . 25381 1 1534 . 1 1 144 144 LEU N N 15 124.304 0 . 1 . . . . 145 LEU N . 25381 1 1535 . 1 1 146 146 PRO HB2 H 1 1.929 0 . 2 . . . . 147 PRO HB2 . 25381 1 1536 . 1 1 146 146 PRO HB3 H 1 2.027 0 . 2 . . . . 147 PRO HB3 . 25381 1 1537 . 1 1 146 146 PRO HG2 H 1 1.669 0.014 . 2 . . . . 147 PRO HG2 . 25381 1 1538 . 1 1 146 146 PRO HG3 H 1 1.783 0.046 . 2 . . . . 147 PRO HG3 . 25381 1 1539 . 1 1 146 146 PRO HD2 H 1 3.519 0 . 2 . . . . 147 PRO HD2 . 25381 1 1540 . 1 1 146 146 PRO HD3 H 1 3.711 0.001 . 2 . . . . 147 PRO HD3 . 25381 1 1541 . 1 1 146 146 PRO C C 13 175.7 0.093 . 1 . . . . 147 PRO C . 25381 1 1542 . 1 1 146 146 PRO CA C 13 62.617 0.116 . 1 . . . . 147 PRO CA . 25381 1 1543 . 1 1 146 146 PRO CB C 13 32.576 0.013 . 1 . . . . 147 PRO CB . 25381 1 1544 . 1 1 146 146 PRO CG C 13 27.108 0 . 1 . . . . 147 PRO CG . 25381 1 1545 . 1 1 146 146 PRO CD C 13 49.986 0 . 1 . . . . 147 PRO CD . 25381 1 1546 . 1 1 147 147 CYS H H 1 8.38 0.018 . 1 . . . . 148 CYS H . 25381 1 1547 . 1 1 147 147 CYS HA H 1 4.473 0.181 . 1 . . . . 148 CYS HA . 25381 1 1548 . 1 1 147 147 CYS C C 13 174.213 0.005 . 1 . . . . 148 CYS C . 25381 1 1549 . 1 1 147 147 CYS CA C 13 60.338 0.01 . 1 . . . . 148 CYS CA . 25381 1 1550 . 1 1 147 147 CYS CB C 13 31.176 0.056 . 1 . . . . 148 CYS CB . 25381 1 1551 . 1 1 147 147 CYS N N 15 122.919 0.039 . 1 . . . . 148 CYS N . 25381 1 1552 . 1 1 148 148 ARG H H 1 9.767 0.033 . 1 . . . . 149 ARG H . 25381 1 1553 . 1 1 148 148 ARG HA H 1 4.468 0 . 1 . . . . 149 ARG HA . 25381 1 1554 . 1 1 148 148 ARG HB2 H 1 2.114 0 . 2 . . . . 149 ARG HB2 . 25381 1 1555 . 1 1 148 148 ARG HB3 H 1 2.189 0.012 . 2 . . . . 149 ARG HB3 . 25381 1 1556 . 1 1 148 148 ARG HG2 H 1 1.709 0.009 . 2 . . . . 149 ARG HG2 . 25381 1 1557 . 1 1 148 148 ARG HG3 H 1 1.859 0.006 . 2 . . . . 149 ARG HG3 . 25381 1 1558 . 1 1 148 148 ARG HD2 H 1 3.325 0.014 . 2 . . . . 149 ARG HD2 . 25381 1 1559 . 1 1 148 148 ARG HD3 H 1 3.189 0.05 . 2 . . . . 149 ARG HD3 . 25381 1 1560 . 1 1 148 148 ARG C C 13 173.394 0.013 . 1 . . . . 149 ARG C . 25381 1 1561 . 1 1 148 148 ARG CA C 13 57.222 0.005 . 1 . . . . 149 ARG CA . 25381 1 1562 . 1 1 148 148 ARG CB C 13 32.42 0.14 . 1 . . . . 149 ARG CB . 25381 1 1563 . 1 1 148 148 ARG CG C 13 25.903 0.278 . 1 . . . . 149 ARG CG . 25381 1 1564 . 1 1 148 148 ARG CD C 13 43.164 0.029 . 1 . . . . 149 ARG CD . 25381 1 1565 . 1 1 148 148 ARG N N 15 123.553 0.039 . 1 . . . . 149 ARG N . 25381 1 1566 . 1 1 149 149 THR H H 1 7.056 0.085 . 1 . . . . 150 THR H . 25381 1 1567 . 1 1 149 149 THR HA H 1 4.905 0.006 . 1 . . . . 150 THR HA . 25381 1 1568 . 1 1 149 149 THR HB H 1 4.518 0.002 . 1 . . . . 150 THR HB . 25381 1 1569 . 1 1 149 149 THR HG21 H 1 1.135 0.056 . 1 . . . . 150 THR HG2 . 25381 1 1570 . 1 1 149 149 THR HG22 H 1 1.135 0.056 . 1 . . . . 150 THR HG2 . 25381 1 1571 . 1 1 149 149 THR HG23 H 1 1.135 0.056 . 1 . . . . 150 THR HG2 . 25381 1 1572 . 1 1 149 149 THR C C 13 172.896 0.013 . 1 . . . . 150 THR C . 25381 1 1573 . 1 1 149 149 THR CA C 13 58.419 0.006 . 1 . . . . 150 THR CA . 25381 1 1574 . 1 1 149 149 THR CB C 13 73.44 0.143 . 1 . . . . 150 THR CB . 25381 1 1575 . 1 1 149 149 THR CG2 C 13 21.68 0.014 . 1 . . . . 150 THR CG2 . 25381 1 1576 . 1 1 149 149 THR N N 15 108.055 0.015 . 1 . . . . 150 THR N . 25381 1 1577 . 1 1 150 150 VAL H H 1 8.697 0 . 1 . . . . 151 VAL H . 25381 1 1578 . 1 1 150 150 VAL HB H 1 1.964 0 . 1 . . . . 151 VAL HB . 25381 1 1579 . 1 1 150 150 VAL HG11 H 1 0.813 0.043 . 2 . . . . 151 VAL HG1 . 25381 1 1580 . 1 1 150 150 VAL HG12 H 1 0.813 0.043 . 2 . . . . 151 VAL HG1 . 25381 1 1581 . 1 1 150 150 VAL HG13 H 1 0.813 0.043 . 2 . . . . 151 VAL HG1 . 25381 1 1582 . 1 1 150 150 VAL HG21 H 1 1.129 0.044 . 2 . . . . 151 VAL HG2 . 25381 1 1583 . 1 1 150 150 VAL HG22 H 1 1.129 0.044 . 2 . . . . 151 VAL HG2 . 25381 1 1584 . 1 1 150 150 VAL HG23 H 1 1.129 0.044 . 2 . . . . 151 VAL HG2 . 25381 1 1585 . 1 1 150 150 VAL C C 13 175.607 0.009 . 1 . . . . 151 VAL C . 25381 1 1586 . 1 1 150 150 VAL CA C 13 66.251 0.008 . 1 . . . . 151 VAL CA . 25381 1 1587 . 1 1 150 150 VAL CB C 13 31.676 0.313 . 1 . . . . 151 VAL CB . 25381 1 1588 . 1 1 150 150 VAL CG1 C 13 23.272 0.117 . 2 . . . . 151 VAL CG1 . 25381 1 1589 . 1 1 150 150 VAL CG2 C 13 21.084 0.002 . 2 . . . . 151 VAL CG2 . 25381 1 1590 . 1 1 150 150 VAL N N 15 122.603 0.065 . 1 . . . . 151 VAL N . 25381 1 1591 . 1 1 151 151 ASP H H 1 8.06 0.032 . 1 . . . . 152 ASP H . 25381 1 1592 . 1 1 151 151 ASP HA H 1 4.208 0.106 . 1 . . . . 152 ASP HA . 25381 1 1593 . 1 1 151 151 ASP HB2 H 1 2.423 0.015 . 2 . . . . 152 ASP HB2 . 25381 1 1594 . 1 1 151 151 ASP HB3 H 1 2.381 0.145 . 2 . . . . 152 ASP HB3 . 25381 1 1595 . 1 1 151 151 ASP C C 13 178.056 0.015 . 1 . . . . 152 ASP C . 25381 1 1596 . 1 1 151 151 ASP CA C 13 57.609 0.006 . 1 . . . . 152 ASP CA . 25381 1 1597 . 1 1 151 151 ASP CB C 13 40.096 0.12 . 1 . . . . 152 ASP CB . 25381 1 1598 . 1 1 151 151 ASP N N 15 120.304 0.015 . 1 . . . . 152 ASP N . 25381 1 1599 . 1 1 152 152 GLU H H 1 7.752 0.177 . 1 . . . . 153 GLU H . 25381 1 1600 . 1 1 152 152 GLU HA H 1 3.974 0 . 1 . . . . 153 GLU HA . 25381 1 1601 . 1 1 152 152 GLU HB2 H 1 1.788 0.024 . 2 . . . . 153 GLU HB2 . 25381 1 1602 . 1 1 152 152 GLU HB3 H 1 1.868 0.155 . 2 . . . . 153 GLU HB3 . 25381 1 1603 . 1 1 152 152 GLU HG2 H 1 2.394 0.003 . 2 . . . . 153 GLU HG2 . 25381 1 1604 . 1 1 152 152 GLU HG3 H 1 2.167 0.02 . 2 . . . . 153 GLU HG3 . 25381 1 1605 . 1 1 152 152 GLU C C 13 177.497 0.015 . 1 . . . . 153 GLU C . 25381 1 1606 . 1 1 152 152 GLU CA C 13 59.61 0.005 . 1 . . . . 153 GLU CA . 25381 1 1607 . 1 1 152 152 GLU CB C 13 29.286 0.085 . 1 . . . . 153 GLU CB . 25381 1 1608 . 1 1 152 152 GLU CG C 13 36.803 0.023 . 1 . . . . 153 GLU CG . 25381 1 1609 . 1 1 152 152 GLU N N 15 122.287 0.064 . 1 . . . . 153 GLU N . 25381 1 1610 . 1 1 153 153 VAL H H 1 7.534 0.003 . 1 . . . . 154 VAL H . 25381 1 1611 . 1 1 153 153 VAL HA H 1 3.917 0.012 . 1 . . . . 154 VAL HA . 25381 1 1612 . 1 1 153 153 VAL HB H 1 1.94 0.003 . 1 . . . . 154 VAL HB . 25381 1 1613 . 1 1 153 153 VAL HG11 H 1 0.235 0.093 . 2 . . . . 154 VAL HG1 . 25381 1 1614 . 1 1 153 153 VAL HG12 H 1 0.235 0.093 . 2 . . . . 154 VAL HG1 . 25381 1 1615 . 1 1 153 153 VAL HG13 H 1 0.235 0.093 . 2 . . . . 154 VAL HG1 . 25381 1 1616 . 1 1 153 153 VAL HG21 H 1 0.436 0.006 . 2 . . . . 154 VAL HG2 . 25381 1 1617 . 1 1 153 153 VAL HG22 H 1 0.436 0.006 . 2 . . . . 154 VAL HG2 . 25381 1 1618 . 1 1 153 153 VAL HG23 H 1 0.436 0.006 . 2 . . . . 154 VAL HG2 . 25381 1 1619 . 1 1 153 153 VAL C C 13 176.989 0.019 . 1 . . . . 154 VAL C . 25381 1 1620 . 1 1 153 153 VAL CA C 13 66.407 0.007 . 1 . . . . 154 VAL CA . 25381 1 1621 . 1 1 153 153 VAL CB C 13 30.88 0.154 . 1 . . . . 154 VAL CB . 25381 1 1622 . 1 1 153 153 VAL CG1 C 13 22.924 0.031 . 2 . . . . 154 VAL CG1 . 25381 1 1623 . 1 1 153 153 VAL CG2 C 13 21.531 0.131 . 2 . . . . 154 VAL CG2 . 25381 1 1624 . 1 1 153 153 VAL N N 15 121.854 0.025 . 1 . . . . 154 VAL N . 25381 1 1625 . 1 1 154 154 ARG H H 1 8.18 0.031 . 1 . . . . 155 ARG H . 25381 1 1626 . 1 1 154 154 ARG HA H 1 3.806 0.011 . 1 . . . . 155 ARG HA . 25381 1 1627 . 1 1 154 154 ARG HB2 H 1 1.747 0.019 . 2 . . . . 155 ARG HB2 . 25381 1 1628 . 1 1 154 154 ARG HB3 H 1 1.615 0.003 . 2 . . . . 155 ARG HB3 . 25381 1 1629 . 1 1 154 154 ARG HG2 H 1 1.397 0.037 . 1 . . . . 155 ARG HG2 . 25381 1 1630 . 1 1 154 154 ARG HG3 H 1 1.397 0.037 . 1 . . . . 155 ARG HG3 . 25381 1 1631 . 1 1 154 154 ARG HD2 H 1 3.069 0.143 . 2 . . . . 155 ARG HD2 . 25381 1 1632 . 1 1 154 154 ARG HD3 H 1 3.212 0.013 . 2 . . . . 155 ARG HD3 . 25381 1 1633 . 1 1 154 154 ARG C C 13 177.648 0.016 . 1 . . . . 155 ARG C . 25381 1 1634 . 1 1 154 154 ARG CA C 13 58.904 0.01 . 1 . . . . 155 ARG CA . 25381 1 1635 . 1 1 154 154 ARG CB C 13 29.825 0.094 . 1 . . . . 155 ARG CB . 25381 1 1636 . 1 1 154 154 ARG CG C 13 28.769 0.176 . 1 . . . . 155 ARG CG . 25381 1 1637 . 1 1 154 154 ARG CD C 13 43.469 0.019 . 1 . . . . 155 ARG CD . 25381 1 1638 . 1 1 154 154 ARG N N 15 120.258 0.084 . 1 . . . . 155 ARG N . 25381 1 1639 . 1 1 155 155 ALA H H 1 7.762 0.031 . 1 . . . . 156 ALA H . 25381 1 1640 . 1 1 155 155 ALA HA H 1 3.998 0.025 . 1 . . . . 156 ALA HA . 25381 1 1641 . 1 1 155 155 ALA HB1 H 1 1.402 0.126 . 1 . . . . 156 ALA HB . 25381 1 1642 . 1 1 155 155 ALA HB2 H 1 1.402 0.126 . 1 . . . . 156 ALA HB . 25381 1 1643 . 1 1 155 155 ALA HB3 H 1 1.402 0.126 . 1 . . . . 156 ALA HB . 25381 1 1644 . 1 1 155 155 ALA C C 13 177.874 0 . 1 . . . . 156 ALA C . 25381 1 1645 . 1 1 155 155 ALA CA C 13 54.785 0.005 . 1 . . . . 156 ALA CA . 25381 1 1646 . 1 1 155 155 ALA CB C 13 18.125 0.204 . 1 . . . . 156 ALA CB . 25381 1 1647 . 1 1 155 155 ALA N N 15 123.373 0.044 . 1 . . . . 156 ALA N . 25381 1 1648 . 1 1 156 156 GLN H H 1 7.542 0.137 . 1 . . . . 157 GLN H . 25381 1 1649 . 1 1 156 156 GLN HA H 1 3.898 0.02 . 1 . . . . 157 GLN HA . 25381 1 1650 . 1 1 156 156 GLN HB2 H 1 1.643 0.002 . 2 . . . . 157 GLN HB2 . 25381 1 1651 . 1 1 156 156 GLN HB3 H 1 1.433 0.094 . 2 . . . . 157 GLN HB3 . 25381 1 1652 . 1 1 156 156 GLN HG2 H 1 2.272 0.015 . 2 . . . . 157 GLN HG2 . 25381 1 1653 . 1 1 156 156 GLN HG3 H 1 2.508 0.024 . 2 . . . . 157 GLN HG3 . 25381 1 1654 . 1 1 156 156 GLN C C 13 175.684 0.027 . 1 . . . . 157 GLN C . 25381 1 1655 . 1 1 156 156 GLN CA C 13 59.242 0.009 . 1 . . . . 157 GLN CA . 25381 1 1656 . 1 1 156 156 GLN CB C 13 30.256 0.13 . 1 . . . . 157 GLN CB . 25381 1 1657 . 1 1 156 156 GLN CG C 13 35.361 0.025 . 1 . . . . 157 GLN CG . 25381 1 1658 . 1 1 156 156 GLN N N 15 117.053 0.067 . 1 . . . . 157 GLN N . 25381 1 1659 . 1 1 157 157 PHE H H 1 8.819 0.02 . 1 . . . . 158 PHE H . 25381 1 1660 . 1 1 157 157 PHE HA H 1 4.007 0.14 . 1 . . . . 158 PHE HA . 25381 1 1661 . 1 1 157 157 PHE HB2 H 1 2.179 0.008 . 2 . . . . 158 PHE HB2 . 25381 1 1662 . 1 1 157 157 PHE HB3 H 1 2.357 0 . 2 . . . . 158 PHE HB3 . 25381 1 1663 . 1 1 157 157 PHE C C 13 174.99 0.003 . 1 . . . . 158 PHE C . 25381 1 1664 . 1 1 157 157 PHE CA C 13 58.835 0.007 . 1 . . . . 158 PHE CA . 25381 1 1665 . 1 1 157 157 PHE CB C 13 38.72 0.153 . 1 . . . . 158 PHE CB . 25381 1 1666 . 1 1 157 157 PHE N N 15 115.624 0.039 . 1 . . . . 158 PHE N . 25381 1 1667 . 1 1 158 158 GLY H H 1 7.449 0.111 . 1 . . . . 159 GLY H . 25381 1 1668 . 1 1 158 158 GLY HA2 H 1 4.562 0.025 . 2 . . . . 159 GLY HA2 . 25381 1 1669 . 1 1 158 158 GLY HA3 H 1 3.762 0.029 . 2 . . . . 159 GLY HA3 . 25381 1 1670 . 1 1 158 158 GLY C C 13 173.29 0.001 . 1 . . . . 159 GLY C . 25381 1 1671 . 1 1 158 158 GLY CA C 13 44.494 0.006 . 1 . . . . 159 GLY CA . 25381 1 1672 . 1 1 158 158 GLY N N 15 111.409 0.025 . 1 . . . . 159 GLY N . 25381 1 1673 . 1 1 159 159 ALA H H 1 8.404 0.024 . 1 . . . . 160 ALA H . 25381 1 1674 . 1 1 159 159 ALA HA H 1 3.801 0.003 . 1 . . . . 160 ALA HA . 25381 1 1675 . 1 1 159 159 ALA HB1 H 1 1.345 0.132 . 1 . . . . 160 ALA HB . 25381 1 1676 . 1 1 159 159 ALA HB2 H 1 1.345 0.132 . 1 . . . . 160 ALA HB . 25381 1 1677 . 1 1 159 159 ALA HB3 H 1 1.345 0.132 . 1 . . . . 160 ALA HB . 25381 1 1678 . 1 1 159 159 ALA C C 13 177.072 0.005 . 1 . . . . 160 ALA C . 25381 1 1679 . 1 1 159 159 ALA CA C 13 55.117 0.008 . 1 . . . . 160 ALA CA . 25381 1 1680 . 1 1 159 159 ALA CB C 13 18.583 0.151 . 1 . . . . 160 ALA CB . 25381 1 1681 . 1 1 159 159 ALA N N 15 124.308 0.053 . 1 . . . . 160 ALA N . 25381 1 1682 . 1 1 160 160 ALA H H 1 8.386 0.003 . 1 . . . . 161 ALA H . 25381 1 1683 . 1 1 160 160 ALA HA H 1 4.386 0.01 . 1 . . . . 161 ALA HA . 25381 1 1684 . 1 1 160 160 ALA HB1 H 1 1.305 0.313 . 1 . . . . 161 ALA HB . 25381 1 1685 . 1 1 160 160 ALA HB2 H 1 1.305 0.313 . 1 . . . . 161 ALA HB . 25381 1 1686 . 1 1 160 160 ALA HB3 H 1 1.305 0.313 . 1 . . . . 161 ALA HB . 25381 1 1687 . 1 1 160 160 ALA C C 13 176.067 0.022 . 1 . . . . 161 ALA C . 25381 1 1688 . 1 1 160 160 ALA CA C 13 51.133 0.034 . 1 . . . . 161 ALA CA . 25381 1 1689 . 1 1 160 160 ALA CB C 13 18.726 0.233 . 1 . . . . 161 ALA CB . 25381 1 1690 . 1 1 160 160 ALA N N 15 119.4 0.053 . 1 . . . . 161 ALA N . 25381 1 1691 . 1 1 161 161 PHE H H 1 7.581 0.002 . 1 . . . . 162 PHE H . 25381 1 1692 . 1 1 161 161 PHE HA H 1 4.36 0 . 1 . . . . 162 PHE HA . 25381 1 1693 . 1 1 161 161 PHE C C 13 172.7 0.03 . 1 . . . . 162 PHE C . 25381 1 1694 . 1 1 161 161 PHE CA C 13 57.939 0.012 . 1 . . . . 162 PHE CA . 25381 1 1695 . 1 1 161 161 PHE CB C 13 40.23 0 . 1 . . . . 162 PHE CB . 25381 1 1696 . 1 1 161 161 PHE N N 15 127.462 0 . 1 . . . . 162 PHE N . 25381 1 1697 . 1 1 162 162 PRO HA H 1 4.335 0.003 . 1 . . . . 163 PRO HA . 25381 1 1698 . 1 1 162 162 PRO HB2 H 1 1.567 0 . 2 . . . . 163 PRO HB2 . 25381 1 1699 . 1 1 162 162 PRO HB3 H 1 1.792 0 . 2 . . . . 163 PRO HB3 . 25381 1 1700 . 1 1 162 162 PRO HG2 H 1 2.079 0.01 . 2 . . . . 163 PRO HG2 . 25381 1 1701 . 1 1 162 162 PRO HG3 H 1 1.925 0.153 . 2 . . . . 163 PRO HG3 . 25381 1 1702 . 1 1 162 162 PRO HD2 H 1 3.234 0 . 2 . . . . 163 PRO HD2 . 25381 1 1703 . 1 1 162 162 PRO HD3 H 1 3.377 0.008 . 2 . . . . 163 PRO HD3 . 25381 1 1704 . 1 1 162 162 PRO C C 13 173.089 0.044 . 1 . . . . 163 PRO C . 25381 1 1705 . 1 1 162 162 PRO CA C 13 63.211 0.063 . 1 . . . . 163 PRO CA . 25381 1 1706 . 1 1 162 162 PRO CB C 13 31.047 0.015 . 1 . . . . 163 PRO CB . 25381 1 1707 . 1 1 162 162 PRO CG C 13 27.805 0 . 1 . . . . 163 PRO CG . 25381 1 1708 . 1 1 162 162 PRO CD C 13 50.407 0.123 . 1 . . . . 163 PRO CD . 25381 1 1709 . 1 1 163 163 VAL H H 1 8.047 0.009 . 1 . . . . 164 VAL H . 25381 1 1710 . 1 1 163 163 VAL HA H 1 4.954 0.022 . 1 . . . . 164 VAL HA . 25381 1 1711 . 1 1 163 163 VAL HB H 1 1.856 0.025 . 1 . . . . 164 VAL HB . 25381 1 1712 . 1 1 163 163 VAL HG11 H 1 0.932 0.1 . 2 . . . . 164 VAL HG1 . 25381 1 1713 . 1 1 163 163 VAL HG12 H 1 0.932 0.1 . 2 . . . . 164 VAL HG1 . 25381 1 1714 . 1 1 163 163 VAL HG13 H 1 0.932 0.1 . 2 . . . . 164 VAL HG1 . 25381 1 1715 . 1 1 163 163 VAL HG21 H 1 0.756 0 . 2 . . . . 164 VAL HG2 . 25381 1 1716 . 1 1 163 163 VAL HG22 H 1 0.756 0 . 2 . . . . 164 VAL HG2 . 25381 1 1717 . 1 1 163 163 VAL HG23 H 1 0.756 0 . 2 . . . . 164 VAL HG2 . 25381 1 1718 . 1 1 163 163 VAL C C 13 173.228 0.01 . 1 . . . . 164 VAL C . 25381 1 1719 . 1 1 163 163 VAL CA C 13 58.672 0.007 . 1 . . . . 164 VAL CA . 25381 1 1720 . 1 1 163 163 VAL CB C 13 35.06 0.098 . 1 . . . . 164 VAL CB . 25381 1 1721 . 1 1 163 163 VAL CG1 C 13 22.221 0.04 . 2 . . . . 164 VAL CG1 . 25381 1 1722 . 1 1 163 163 VAL CG2 C 13 20.729 0.136 . 2 . . . . 164 VAL CG2 . 25381 1 1723 . 1 1 163 163 VAL N N 15 124.556 0.031 . 1 . . . . 164 VAL N . 25381 1 1724 . 1 1 164 164 VAL H H 1 8.854 0 . 1 . . . . 165 VAL H . 25381 1 1725 . 1 1 164 164 VAL HA H 1 4.383 0 . 1 . . . . 165 VAL HA . 25381 1 1726 . 1 1 164 164 VAL HB H 1 2.061 0 . 1 . . . . 165 VAL HB . 25381 1 1727 . 1 1 164 164 VAL HG11 H 1 0.215 0 . 2 . . . . 165 VAL HG1 . 25381 1 1728 . 1 1 164 164 VAL HG12 H 1 0.215 0 . 2 . . . . 165 VAL HG1 . 25381 1 1729 . 1 1 164 164 VAL HG13 H 1 0.215 0 . 2 . . . . 165 VAL HG1 . 25381 1 1730 . 1 1 164 164 VAL HG21 H 1 0.348 0 . 2 . . . . 165 VAL HG2 . 25381 1 1731 . 1 1 164 164 VAL HG22 H 1 0.348 0 . 2 . . . . 165 VAL HG2 . 25381 1 1732 . 1 1 164 164 VAL HG23 H 1 0.348 0 . 2 . . . . 165 VAL HG2 . 25381 1 1733 . 1 1 164 164 VAL C C 13 171.674 0.204 . 1 . . . . 165 VAL C . 25381 1 1734 . 1 1 164 164 VAL CA C 13 59.631 0.007 . 1 . . . . 165 VAL CA . 25381 1 1735 . 1 1 164 164 VAL CB C 13 32.569 0 . 1 . . . . 165 VAL CB . 25381 1 1736 . 1 1 164 164 VAL N N 15 132.621 0 . 1 . . . . 165 VAL N . 25381 1 1737 . 1 1 165 165 PRO HA H 1 4.116 0.017 . 1 . . . . 166 PRO HA . 25381 1 1738 . 1 1 165 165 PRO HB2 H 1 2.115 0.093 . 2 . . . . 166 PRO HB2 . 25381 1 1739 . 1 1 165 165 PRO HB3 H 1 2.249 0 . 2 . . . . 166 PRO HB3 . 25381 1 1740 . 1 1 165 165 PRO HG2 H 1 1.872 0.022 . 2 . . . . 166 PRO HG2 . 25381 1 1741 . 1 1 165 165 PRO HG3 H 1 1.973 0.062 . 2 . . . . 166 PRO HG3 . 25381 1 1742 . 1 1 165 165 PRO HD2 H 1 3.409 0.013 . 2 . . . . 166 PRO HD2 . 25381 1 1743 . 1 1 165 165 PRO HD3 H 1 3.542 0.008 . 2 . . . . 166 PRO HD3 . 25381 1 1744 . 1 1 165 165 PRO C C 13 174.005 0.044 . 1 . . . . 166 PRO C . 25381 1 1745 . 1 1 165 165 PRO CA C 13 62.67 0.038 . 1 . . . . 166 PRO CA . 25381 1 1746 . 1 1 165 165 PRO CB C 13 32.127 0.011 . 1 . . . . 166 PRO CB . 25381 1 1747 . 1 1 165 165 PRO CG C 13 27.202 0 . 1 . . . . 166 PRO CG . 25381 1 1748 . 1 1 165 165 PRO CD C 13 50.831 0.144 . 1 . . . . 166 PRO CD . 25381 1 1749 . 1 1 166 166 GLY H H 1 7.099 0.143 . 1 . . . . 167 GLY H . 25381 1 1750 . 1 1 166 166 GLY HA2 H 1 3.855 0.017 . 2 . . . . 167 GLY HA2 . 25381 1 1751 . 1 1 166 166 GLY HA3 H 1 4.097 0.009 . 2 . . . . 167 GLY HA3 . 25381 1 1752 . 1 1 166 166 GLY C C 13 170.058 0.033 . 1 . . . . 167 GLY C . 25381 1 1753 . 1 1 166 166 GLY CA C 13 44.27 0.005 . 1 . . . . 167 GLY CA . 25381 1 1754 . 1 1 166 166 GLY N N 15 106.326 0.025 . 1 . . . . 167 GLY N . 25381 1 1755 . 1 1 167 167 GLU H H 1 8.534 0.031 . 1 . . . . 168 GLU H . 25381 1 1756 . 1 1 167 167 GLU HA H 1 4.939 0.057 . 1 . . . . 168 GLU HA . 25381 1 1757 . 1 1 167 167 GLU HB2 H 1 1.833 0.01 . 2 . . . . 168 GLU HB2 . 25381 1 1758 . 1 1 167 167 GLU HB3 H 1 1.918 0.081 . 2 . . . . 168 GLU HB3 . 25381 1 1759 . 1 1 167 167 GLU HG2 H 1 2.389 0.094 . 2 . . . . 168 GLU HG2 . 25381 1 1760 . 1 1 167 167 GLU HG3 H 1 2.275 0 . 2 . . . . 168 GLU HG3 . 25381 1 1761 . 1 1 167 167 GLU C C 13 176.492 0.009 . 1 . . . . 168 GLU C . 25381 1 1762 . 1 1 167 167 GLU CA C 13 54.669 0.007 . 1 . . . . 168 GLU CA . 25381 1 1763 . 1 1 167 167 GLU CB C 13 32.544 0.144 . 1 . . . . 168 GLU CB . 25381 1 1764 . 1 1 167 167 GLU CG C 13 36.154 0.024 . 1 . . . . 168 GLU CG . 25381 1 1765 . 1 1 167 167 GLU N N 15 119.375 0.025 . 1 . . . . 168 GLU N . 25381 1 1766 . 1 1 168 168 THR H H 1 8.724 0.137 . 1 . . . . 169 THR H . 25381 1 1767 . 1 1 168 168 THR HA H 1 4.436 0.011 . 1 . . . . 169 THR HA . 25381 1 1768 . 1 1 168 168 THR HB H 1 4.151 0.006 . 1 . . . . 169 THR HB . 25381 1 1769 . 1 1 168 168 THR HG21 H 1 0.987 0.099 . 1 . . . . 169 THR HG2 . 25381 1 1770 . 1 1 168 168 THR HG22 H 1 0.987 0.099 . 1 . . . . 169 THR HG2 . 25381 1 1771 . 1 1 168 168 THR HG23 H 1 0.987 0.099 . 1 . . . . 169 THR HG2 . 25381 1 1772 . 1 1 168 168 THR C C 13 173.498 0.03 . 1 . . . . 169 THR C . 25381 1 1773 . 1 1 168 168 THR CA C 13 61.481 0.005 . 1 . . . . 169 THR CA . 25381 1 1774 . 1 1 168 168 THR CB C 13 70.152 0.098 . 1 . . . . 169 THR CB . 25381 1 1775 . 1 1 168 168 THR CG2 C 13 21.922 0.046 . 1 . . . . 169 THR CG2 . 25381 1 1776 . 1 1 168 168 THR N N 15 113.112 0.039 . 1 . . . . 169 THR N . 25381 1 1777 . 1 1 169 169 GLY H H 1 8.407 0.22 . 1 . . . . 170 GLY H . 25381 1 1778 . 1 1 169 169 GLY HA2 H 1 4.01 0.012 . 2 . . . . 170 GLY HA2 . 25381 1 1779 . 1 1 169 169 GLY HA3 H 1 4.143 0.007 . 2 . . . . 170 GLY HA3 . 25381 1 1780 . 1 1 169 169 GLY C C 13 173.724 0.083 . 1 . . . . 170 GLY C . 25381 1 1781 . 1 1 169 169 GLY CA C 13 46.089 0.007 . 1 . . . . 170 GLY CA . 25381 1 1782 . 1 1 169 169 GLY N N 15 108.019 0.024 . 1 . . . . 170 GLY N . 25381 1 1783 . 1 1 170 170 GLY H H 1 7.918 0.464 . 1 . . . . 171 GLY H . 25381 1 1784 . 1 1 170 170 GLY HA2 H 1 3.718 0.012 . 2 . . . . 171 GLY HA2 . 25381 1 1785 . 1 1 170 170 GLY HA3 H 1 4.069 0.026 . 2 . . . . 171 GLY HA3 . 25381 1 1786 . 1 1 170 170 GLY C C 13 173.321 0.012 . 1 . . . . 171 GLY C . 25381 1 1787 . 1 1 170 170 GLY CA C 13 45.9 0.004 . 1 . . . . 171 GLY CA . 25381 1 1788 . 1 1 170 170 GLY N N 15 108.426 0.025 . 1 . . . . 171 GLY N . 25381 1 1789 . 1 1 171 171 ARG H H 1 8.005 0 . 1 . . . . 172 ARG H . 25381 1 1790 . 1 1 171 171 ARG HA H 1 4.282 0 . 1 . . . . 172 ARG HA . 25381 1 1791 . 1 1 171 171 ARG HB2 H 1 1.559 0 . 2 . . . . 172 ARG HB2 . 25381 1 1792 . 1 1 171 171 ARG HB3 H 1 1.693 0.056 . 2 . . . . 172 ARG HB3 . 25381 1 1793 . 1 1 171 171 ARG HD2 H 1 3.216 0.002 . 2 . . . . 172 ARG HD2 . 25381 1 1794 . 1 1 171 171 ARG HD3 H 1 3.021 0 . 2 . . . . 172 ARG HD3 . 25381 1 1795 . 1 1 171 171 ARG C C 13 175.01 0.006 . 1 . . . . 172 ARG C . 25381 1 1796 . 1 1 171 171 ARG CA C 13 56.194 0.007 . 1 . . . . 172 ARG CA . 25381 1 1797 . 1 1 171 171 ARG CB C 13 30.604 0.118 . 1 . . . . 172 ARG CB . 25381 1 1798 . 1 1 171 171 ARG CG C 13 26.31 0.12 . 1 . . . . 172 ARG CG . 25381 1 1799 . 1 1 171 171 ARG CD C 13 42.971 0 . 1 . . . . 172 ARG CD . 25381 1 1800 . 1 1 171 171 ARG N N 15 121.603 0.053 . 1 . . . . 172 ARG N . 25381 1 1801 . 1 1 172 172 LEU H H 1 8.458 0.02 . 1 . . . . 173 LEU H . 25381 1 1802 . 1 1 172 172 LEU HA H 1 4.197 0 . 1 . . . . 173 LEU HA . 25381 1 1803 . 1 1 172 172 LEU HB2 H 1 1.58 0.003 . 2 . . . . 173 LEU HB2 . 25381 1 1804 . 1 1 172 172 LEU HB3 H 1 1.765 0.011 . 2 . . . . 173 LEU HB3 . 25381 1 1805 . 1 1 172 172 LEU HG H 1 2.149 0.093 . 1 . . . . 173 LEU HG . 25381 1 1806 . 1 1 172 172 LEU HD11 H 1 0.812 0.006 . 2 . . . . 173 LEU HD1 . 25381 1 1807 . 1 1 172 172 LEU HD12 H 1 0.812 0.006 . 2 . . . . 173 LEU HD1 . 25381 1 1808 . 1 1 172 172 LEU HD13 H 1 0.812 0.006 . 2 . . . . 173 LEU HD1 . 25381 1 1809 . 1 1 172 172 LEU HD21 H 1 0.952 0.044 . 2 . . . . 173 LEU HD2 . 25381 1 1810 . 1 1 172 172 LEU HD22 H 1 0.952 0.044 . 2 . . . . 173 LEU HD2 . 25381 1 1811 . 1 1 172 172 LEU HD23 H 1 0.952 0.044 . 2 . . . . 173 LEU HD2 . 25381 1 1812 . 1 1 172 172 LEU C C 13 175.601 0.03 . 1 . . . . 173 LEU C . 25381 1 1813 . 1 1 172 172 LEU CA C 13 56.128 0.01 . 1 . . . . 173 LEU CA . 25381 1 1814 . 1 1 172 172 LEU CB C 13 42.844 0.14 . 1 . . . . 173 LEU CB . 25381 1 1815 . 1 1 172 172 LEU CG C 13 26.698 0.024 . 1 . . . . 173 LEU CG . 25381 1 1816 . 1 1 172 172 LEU CD1 C 13 24.466 0.028 . 2 . . . . 173 LEU CD1 . 25381 1 1817 . 1 1 172 172 LEU CD2 C 13 23.223 0.125 . 2 . . . . 173 LEU CD2 . 25381 1 1818 . 1 1 172 172 LEU N N 15 123.359 0.039 . 1 . . . . 173 LEU N . 25381 1 1819 . 1 1 173 173 ASN H H 1 7.92 0 . 1 . . . . 174 ASN H . 25381 1 1820 . 1 1 173 173 ASN HA H 1 5.082 0 . 1 . . . . 174 ASN HA . 25381 1 1821 . 1 1 173 173 ASN HB2 H 1 2.438 0 . 2 . . . . 174 ASN HB2 . 25381 1 1822 . 1 1 173 173 ASN HB3 H 1 2.584 0 . 2 . . . . 174 ASN HB3 . 25381 1 1823 . 1 1 173 173 ASN C C 13 170.928 0.018 . 1 . . . . 174 ASN C . 25381 1 1824 . 1 1 173 173 ASN CA C 13 51.065 0.007 . 1 . . . . 174 ASN CA . 25381 1 1825 . 1 1 173 173 ASN CB C 13 39.723 0.1 . 1 . . . . 174 ASN CB . 25381 1 1826 . 1 1 173 173 ASN N N 15 118.703 0 . 1 . . . . 174 ASN N . 25381 1 1827 . 1 1 174 174 PRO HA H 1 5.107 0 . 1 . . . . 175 PRO HA . 25381 1 1828 . 1 1 174 174 PRO HD2 H 1 3.475 0 . 2 . . . . 175 PRO HD2 . 25381 1 1829 . 1 1 174 174 PRO HD3 H 1 3.574 0.015 . 2 . . . . 175 PRO HD3 . 25381 1 1830 . 1 1 174 174 PRO C C 13 174.798 0.1 . 1 . . . . 175 PRO C . 25381 1 1831 . 1 1 174 174 PRO CA C 13 62.54 0 . 1 . . . . 175 PRO CA . 25381 1 1832 . 1 1 174 174 PRO CB C 13 32.325 0.035 . 1 . . . . 175 PRO CB . 25381 1 1833 . 1 1 175 175 SER H H 1 8.429 0.003 . 1 . . . . 176 SER H . 25381 1 1834 . 1 1 175 175 SER HA H 1 4.107 0.16 . 1 . . . . 176 SER HA . 25381 1 1835 . 1 1 175 175 SER HB2 H 1 3.455 0 . 2 . . . . 176 SER HB2 . 25381 1 1836 . 1 1 175 175 SER HB3 H 1 3.582 0 . 2 . . . . 176 SER HB3 . 25381 1 1837 . 1 1 175 175 SER C C 13 173.269 0.001 . 1 . . . . 176 SER C . 25381 1 1838 . 1 1 175 175 SER CA C 13 59.755 0.033 . 1 . . . . 176 SER CA . 25381 1 1839 . 1 1 175 175 SER CB C 13 64.075 0.096 . 1 . . . . 176 SER CB . 25381 1 1840 . 1 1 175 175 SER N N 15 119.226 0.064 . 1 . . . . 176 SER N . 25381 1 1841 . 1 1 176 176 GLU H H 1 8.075 0.141 . 1 . . . . 177 GLU H . 25381 1 1842 . 1 1 176 176 GLU HA H 1 4.527 0 . 1 . . . . 177 GLU HA . 25381 1 1843 . 1 1 176 176 GLU HB2 H 1 1.839 0.046 . 2 . . . . 177 GLU HB2 . 25381 1 1844 . 1 1 176 176 GLU HB3 H 1 1.917 0 . 2 . . . . 177 GLU HB3 . 25381 1 1845 . 1 1 176 176 GLU HG2 H 1 2.209 0 . 2 . . . . 177 GLU HG2 . 25381 1 1846 . 1 1 176 176 GLU HG3 H 1 2.098 0.002 . 2 . . . . 177 GLU HG3 . 25381 1 1847 . 1 1 176 176 GLU C C 13 172.752 0.019 . 1 . . . . 177 GLU C . 25381 1 1848 . 1 1 176 176 GLU CA C 13 56.133 0.007 . 1 . . . . 177 GLU CA . 25381 1 1849 . 1 1 176 176 GLU CB C 13 31.251 0.117 . 1 . . . . 177 GLU CB . 25381 1 1850 . 1 1 176 176 GLU CG C 13 35.764 0.002 . 1 . . . . 177 GLU CG . 25381 1 1851 . 1 1 176 176 GLU N N 15 127.233 0.015 . 1 . . . . 177 GLU N . 25381 1 1852 . 1 1 177 177 ILE H H 1 8.388 0.151 . 1 . . . . 178 ILE H . 25381 1 1853 . 1 1 177 177 ILE HA H 1 4.773 0 . 1 . . . . 178 ILE HA . 25381 1 1854 . 1 1 177 177 ILE HB H 1 1.633 0 . 1 . . . . 178 ILE HB . 25381 1 1855 . 1 1 177 177 ILE HD11 H 1 0.632 0.01 . 1 . . . . 178 ILE HD1 . 25381 1 1856 . 1 1 177 177 ILE HD12 H 1 0.632 0.01 . 1 . . . . 178 ILE HD1 . 25381 1 1857 . 1 1 177 177 ILE HD13 H 1 0.632 0.01 . 1 . . . . 178 ILE HD1 . 25381 1 1858 . 1 1 177 177 ILE C C 13 174.097 0.019 . 1 . . . . 178 ILE C . 25381 1 1859 . 1 1 177 177 ILE CA C 13 60.257 0.005 . 1 . . . . 178 ILE CA . 25381 1 1860 . 1 1 177 177 ILE CB C 13 39.202 0.139 . 1 . . . . 178 ILE CB . 25381 1 1861 . 1 1 177 177 ILE CG1 C 13 27.409 0 . 1 . . . . 178 ILE CG1 . 25381 1 1862 . 1 1 177 177 ILE N N 15 124.536 0.059 . 1 . . . . 178 ILE N . 25381 1 1863 . 1 1 178 178 ARG H H 1 8.859 0.001 . 1 . . . . 179 ARG H . 25381 1 1864 . 1 1 178 178 ARG HA H 1 4.888 0 . 1 . . . . 179 ARG HA . 25381 1 1865 . 1 1 178 178 ARG HB2 H 1 2.357 0 . 1 . . . . 179 ARG HB2 . 25381 1 1866 . 1 1 178 178 ARG HB3 H 1 2.357 0 . 1 . . . . 179 ARG HB3 . 25381 1 1867 . 1 1 178 178 ARG HG2 H 1 1.798 0 . 1 . . . . 179 ARG HG2 . 25381 1 1868 . 1 1 178 178 ARG HG3 H 1 1.798 0 . 1 . . . . 179 ARG HG3 . 25381 1 1869 . 1 1 178 178 ARG HD2 H 1 2.764 0.144 . 1 . . . . 179 ARG HD2 . 25381 1 1870 . 1 1 178 178 ARG HD3 H 1 2.764 0.144 . 1 . . . . 179 ARG HD3 . 25381 1 1871 . 1 1 178 178 ARG C C 13 173.066 0.016 . 1 . . . . 179 ARG C . 25381 1 1872 . 1 1 178 178 ARG CA C 13 53.857 0.007 . 1 . . . . 179 ARG CA . 25381 1 1873 . 1 1 178 178 ARG CB C 13 35.04 0.181 . 1 . . . . 179 ARG CB . 25381 1 1874 . 1 1 178 178 ARG CG C 13 29.206 0.183 . 1 . . . . 179 ARG CG . 25381 1 1875 . 1 1 178 178 ARG CD C 13 42.374 0.044 . 1 . . . . 179 ARG CD . 25381 1 1876 . 1 1 178 178 ARG N N 15 127.001 0.017 . 1 . . . . 179 ARG N . 25381 1 1877 . 1 1 179 179 ASP H H 1 8.727 0.003 . 1 . . . . 180 ASP H . 25381 1 1878 . 1 1 179 179 ASP HA H 1 4.45 0.102 . 1 . . . . 180 ASP HA . 25381 1 1879 . 1 1 179 179 ASP HB2 H 1 3.136 0 . 1 . . . . 180 ASP HB2 . 25381 1 1880 . 1 1 179 179 ASP HB3 H 1 3.136 0 . 1 . . . . 180 ASP HB3 . 25381 1 1881 . 1 1 179 179 ASP C C 13 176.171 0 . 1 . . . . 180 ASP C . 25381 1 1882 . 1 1 179 179 ASP CA C 13 54.502 0.012 . 1 . . . . 180 ASP CA . 25381 1 1883 . 1 1 179 179 ASP CB C 13 43.459 0.213 . 1 . . . . 180 ASP CB . 25381 1 1884 . 1 1 179 179 ASP N N 15 123.986 0.039 . 1 . . . . 180 ASP N . 25381 1 1885 . 1 1 180 180 ALA H H 1 8.741 0.012 . 1 . . . . 181 ALA H . 25381 1 1886 . 1 1 180 180 ALA HA H 1 3.517 0.005 . 1 . . . . 181 ALA HA . 25381 1 1887 . 1 1 180 180 ALA HB1 H 1 0.322 0.148 . 1 . . . . 181 ALA HB . 25381 1 1888 . 1 1 180 180 ALA HB2 H 1 0.322 0.148 . 1 . . . . 181 ALA HB . 25381 1 1889 . 1 1 180 180 ALA HB3 H 1 0.322 0.148 . 1 . . . . 181 ALA HB . 25381 1 1890 . 1 1 180 180 ALA C C 13 175.373 0.026 . 1 . . . . 181 ALA C . 25381 1 1891 . 1 1 180 180 ALA CA C 13 55.196 0.006 . 1 . . . . 181 ALA CA . 25381 1 1892 . 1 1 180 180 ALA CB C 13 18.266 0.175 . 1 . . . . 181 ALA CB . 25381 1 1893 . 1 1 180 180 ALA N N 15 130.994 0.025 . 1 . . . . 181 ALA N . 25381 1 1894 . 1 1 181 181 LEU H H 1 8.324 0.088 . 1 . . . . 182 LEU H . 25381 1 1895 . 1 1 181 181 LEU HA H 1 4.019 0 . 1 . . . . 182 LEU HA . 25381 1 1896 . 1 1 181 181 LEU HB2 H 1 1.846 0 . 2 . . . . 182 LEU HB2 . 25381 1 1897 . 1 1 181 181 LEU HB3 H 1 1.946 0.252 . 2 . . . . 182 LEU HB3 . 25381 1 1898 . 1 1 181 181 LEU HG H 1 1.439 0.056 . 1 . . . . 182 LEU HG . 25381 1 1899 . 1 1 181 181 LEU HD11 H 1 0.683 0.006 . 2 . . . . 182 LEU HD1 . 25381 1 1900 . 1 1 181 181 LEU HD12 H 1 0.683 0.006 . 2 . . . . 182 LEU HD1 . 25381 1 1901 . 1 1 181 181 LEU HD13 H 1 0.683 0.006 . 2 . . . . 182 LEU HD1 . 25381 1 1902 . 1 1 181 181 LEU HD21 H 1 0.884 0.015 . 2 . . . . 182 LEU HD2 . 25381 1 1903 . 1 1 181 181 LEU HD22 H 1 0.884 0.015 . 2 . . . . 182 LEU HD2 . 25381 1 1904 . 1 1 181 181 LEU HD23 H 1 0.884 0.015 . 2 . . . . 182 LEU HD2 . 25381 1 1905 . 1 1 181 181 LEU C C 13 178.118 0.03 . 1 . . . . 182 LEU C . 25381 1 1906 . 1 1 181 181 LEU CA C 13 56.586 0.005 . 1 . . . . 182 LEU CA . 25381 1 1907 . 1 1 181 181 LEU CB C 13 41.092 0.213 . 1 . . . . 182 LEU CB . 25381 1 1908 . 1 1 181 181 LEU CD1 C 13 22.76 0.039 . 1 . . . . 182 LEU CD1 . 25381 1 1909 . 1 1 181 181 LEU CD2 C 13 22.76 0.039 . 1 . . . . 182 LEU CD2 . 25381 1 1910 . 1 1 181 181 LEU N N 15 114.377 0.015 . 1 . . . . 182 LEU N . 25381 1 1911 . 1 1 182 182 THR H H 1 7.582 0.055 . 1 . . . . 183 THR H . 25381 1 1912 . 1 1 182 182 THR HA H 1 4.397 0.012 . 1 . . . . 183 THR HA . 25381 1 1913 . 1 1 182 182 THR HG21 H 1 1.067 0.006 . 1 . . . . 183 THR HG2 . 25381 1 1914 . 1 1 182 182 THR HG22 H 1 1.067 0.006 . 1 . . . . 183 THR HG2 . 25381 1 1915 . 1 1 182 182 THR HG23 H 1 1.067 0.006 . 1 . . . . 183 THR HG2 . 25381 1 1916 . 1 1 182 182 THR C C 13 175.103 0.009 . 1 . . . . 183 THR C . 25381 1 1917 . 1 1 182 182 THR CA C 13 61.29 0.014 . 1 . . . . 183 THR CA . 25381 1 1918 . 1 1 182 182 THR CB C 13 71.039 0.111 . 1 . . . . 183 THR CB . 25381 1 1919 . 1 1 182 182 THR CG2 C 13 20.636 0.02 . 1 . . . . 183 THR CG2 . 25381 1 1920 . 1 1 182 182 THR N N 15 107.179 0.015 . 1 . . . . 183 THR N . 25381 1 1921 . 1 1 183 183 GLY H H 1 8.382 0.142 . 1 . . . . 184 GLY H . 25381 1 1922 . 1 1 183 183 GLY HA2 H 1 3.592 0.047 . 2 . . . . 184 GLY HA2 . 25381 1 1923 . 1 1 183 183 GLY HA3 H 1 4.186 0.019 . 2 . . . . 184 GLY HA3 . 25381 1 1924 . 1 1 183 183 GLY C C 13 172.192 0.025 . 1 . . . . 184 GLY C . 25381 1 1925 . 1 1 183 183 GLY CA C 13 45.794 0.007 . 1 . . . . 184 GLY CA . 25381 1 1926 . 1 1 183 183 GLY N N 15 112.846 0.015 . 1 . . . . 184 GLY N . 25381 1 1927 . 1 1 184 184 GLU H H 1 7.937 0.181 . 1 . . . . 185 GLU H . 25381 1 1928 . 1 1 184 184 GLU HA H 1 4.18 0.002 . 1 . . . . 185 GLU HA . 25381 1 1929 . 1 1 184 184 GLU HB2 H 1 1.398 0.007 . 2 . . . . 185 GLU HB2 . 25381 1 1930 . 1 1 184 184 GLU HB3 H 1 1.672 0.006 . 2 . . . . 185 GLU HB3 . 25381 1 1931 . 1 1 184 184 GLU HG2 H 1 2.207 0.022 . 2 . . . . 185 GLU HG2 . 25381 1 1932 . 1 1 184 184 GLU HG3 H 1 2.004 0.006 . 2 . . . . 185 GLU HG3 . 25381 1 1933 . 1 1 184 184 GLU C C 13 174.503 0.552 . 1 . . . . 185 GLU C . 25381 1 1934 . 1 1 184 184 GLU CA C 13 55.488 0.006 . 1 . . . . 185 GLU CA . 25381 1 1935 . 1 1 184 184 GLU CB C 13 31.102 0.18 . 1 . . . . 185 GLU CB . 25381 1 1936 . 1 1 184 184 GLU CG C 13 35.559 0.041 . 1 . . . . 185 GLU CG . 25381 1 1937 . 1 1 184 184 GLU N N 15 122.081 0.026 . 1 . . . . 185 GLU N . 25381 1 1938 . 1 1 185 185 LEU H H 1 8.615 0.125 . 1 . . . . 186 LEU H . 25381 1 1939 . 1 1 185 185 LEU HA H 1 4.271 0 . 1 . . . . 186 LEU HA . 25381 1 1940 . 1 1 185 185 LEU HB2 H 1 1.554 0 . 2 . . . . 186 LEU HB2 . 25381 1 1941 . 1 1 185 185 LEU HB3 H 1 1.651 0 . 2 . . . . 186 LEU HB3 . 25381 1 1942 . 1 1 185 185 LEU HG H 1 0.736 0.043 . 1 . . . . 186 LEU HG . 25381 1 1943 . 1 1 185 185 LEU HD11 H 1 0.702 0.007 . 2 . . . . 186 LEU HD1 . 25381 1 1944 . 1 1 185 185 LEU HD12 H 1 0.702 0.007 . 2 . . . . 186 LEU HD1 . 25381 1 1945 . 1 1 185 185 LEU HD13 H 1 0.702 0.007 . 2 . . . . 186 LEU HD1 . 25381 1 1946 . 1 1 185 185 LEU HD21 H 1 0.865 0.094 . 2 . . . . 186 LEU HD2 . 25381 1 1947 . 1 1 185 185 LEU HD22 H 1 0.865 0.094 . 2 . . . . 186 LEU HD2 . 25381 1 1948 . 1 1 185 185 LEU HD23 H 1 0.865 0.094 . 2 . . . . 186 LEU HD2 . 25381 1 1949 . 1 1 185 185 LEU C C 13 175.746 0.008 . 1 . . . . 186 LEU C . 25381 1 1950 . 1 1 185 185 LEU CA C 13 56.077 0.005 . 1 . . . . 186 LEU CA . 25381 1 1951 . 1 1 185 185 LEU CB C 13 41.827 0.239 . 1 . . . . 186 LEU CB . 25381 1 1952 . 1 1 185 185 LEU CG C 13 27.295 0 . 1 . . . . 186 LEU CG . 25381 1 1953 . 1 1 185 185 LEU CD1 C 13 25.112 0.046 . 2 . . . . 186 LEU CD1 . 25381 1 1954 . 1 1 185 185 LEU CD2 C 13 22.974 0.141 . 2 . . . . 186 LEU CD2 . 25381 1 1955 . 1 1 185 185 LEU N N 15 122.997 0.044 . 1 . . . . 186 LEU N . 25381 1 1956 . 1 1 186 186 PHE H H 1 8.798 0.013 . 1 . . . . 187 PHE H . 25381 1 1957 . 1 1 186 186 PHE HA H 1 4.39 0.258 . 1 . . . . 187 PHE HA . 25381 1 1958 . 1 1 186 186 PHE HB2 H 1 2.599 0.017 . 1 . . . . 187 PHE HB2 . 25381 1 1959 . 1 1 186 186 PHE HB3 H 1 2.599 0.017 . 1 . . . . 187 PHE HB3 . 25381 1 1960 . 1 1 186 186 PHE C C 13 173.366 0.293 . 1 . . . . 187 PHE C . 25381 1 1961 . 1 1 186 186 PHE CA C 13 57.746 0.019 . 1 . . . . 187 PHE CA . 25381 1 1962 . 1 1 186 186 PHE CB C 13 40.835 0.127 . 1 . . . . 187 PHE CB . 25381 1 1963 . 1 1 186 186 PHE N N 15 127.401 0.035 . 1 . . . . 187 PHE N . 25381 1 1964 . 1 1 187 187 ARG H H 1 8.019 0.006 . 1 . . . . 188 ARG H . 25381 1 1965 . 1 1 187 187 ARG HA H 1 4.174 0 . 1 . . . . 188 ARG HA . 25381 1 1966 . 1 1 187 187 ARG HB2 H 1 1.563 0 . 2 . . . . 188 ARG HB2 . 25381 1 1967 . 1 1 187 187 ARG HB3 H 1 1.699 0.002 . 2 . . . . 188 ARG HB3 . 25381 1 1968 . 1 1 187 187 ARG HG2 H 1 1.343 0.024 . 2 . . . . 188 ARG HG2 . 25381 1 1969 . 1 1 187 187 ARG HG3 H 1 1.554 0.023 . 2 . . . . 188 ARG HG3 . 25381 1 1970 . 1 1 187 187 ARG HD2 H 1 3.138 0.089 . 2 . . . . 188 ARG HD2 . 25381 1 1971 . 1 1 187 187 ARG HD3 H 1 2.984 0 . 2 . . . . 188 ARG HD3 . 25381 1 1972 . 1 1 187 187 ARG C C 13 173.29 0.01 . 1 . . . . 188 ARG C . 25381 1 1973 . 1 1 187 187 ARG CA C 13 55.338 0.006 . 1 . . . . 188 ARG CA . 25381 1 1974 . 1 1 187 187 ARG CB C 13 31.08 0.149 . 1 . . . . 188 ARG CB . 25381 1 1975 . 1 1 187 187 ARG CG C 13 25.107 0.012 . 1 . . . . 188 ARG CG . 25381 1 1976 . 1 1 187 187 ARG CD C 13 43.413 0 . 1 . . . . 188 ARG CD . 25381 1 1977 . 1 1 187 187 ARG N N 15 127.47 0.025 . 1 . . . . 188 ARG N . 25381 1 1978 . 1 1 188 188 GLN H H 1 8.174 0.181 . 1 . . . . 189 GLN H . 25381 1 1979 . 1 1 188 188 GLN HA H 1 4.071 0.091 . 1 . . . . 189 GLN HA . 25381 1 1980 . 1 1 188 188 GLN HB2 H 1 2.299 0.064 . 2 . . . . 189 GLN HB2 . 25381 1 1981 . 1 1 188 188 GLN HB3 H 1 2.203 0.056 . 2 . . . . 189 GLN HB3 . 25381 1 1982 . 1 1 188 188 GLN HG2 H 1 1.941 0.013 . 2 . . . . 189 GLN HG2 . 25381 1 1983 . 1 1 188 188 GLN HG3 H 1 1.76 0.01 . 2 . . . . 189 GLN HG3 . 25381 1 1984 . 1 1 188 188 GLN C C 13 173.819 0.024 . 1 . . . . 189 GLN C . 25381 1 1985 . 1 1 188 188 GLN CA C 13 55.784 0.012 . 1 . . . . 189 GLN CA . 25381 1 1986 . 1 1 188 188 GLN CB C 13 29.808 0.197 . 1 . . . . 189 GLN CB . 25381 1 1987 . 1 1 188 188 GLN CG C 13 33.818 0.026 . 1 . . . . 189 GLN CG . 25381 1 1988 . 1 1 188 188 GLN N N 15 124.578 0.025 . 1 . . . . 189 GLN N . 25381 1 1989 . 1 1 189 189 GLY H H 1 8.075 0.149 . 1 . . . . 190 GLY H . 25381 1 1990 . 1 1 189 189 GLY HA2 H 1 3.827 0 . 2 . . . . 190 GLY HA2 . 25381 1 1991 . 1 1 189 189 GLY HA3 H 1 3.668 0 . 2 . . . . 190 GLY HA3 . 25381 1 1992 . 1 1 189 189 GLY C C 13 177.456 0.013 . 1 . . . . 190 GLY C . 25381 1 1993 . 1 1 189 189 GLY CA C 13 46.239 0.006 . 1 . . . . 190 GLY CA . 25381 1 stop_ save_