data_27858 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27858 _Entry.Title ; Assignment of R32A mutant of yeast Hsp90 N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-29 _Entry.Accession_date 2019-03-29 _Entry.Last_release_date 2019-03-29 _Entry.Original_release_date 2019-03-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; R32-E33 side chain ion-pairing is a conformational switch for Hsp90 ATPase activity that is coupled with conformational dynamics. R32A mutation mimics the ion-pair open conformation of E33 side chain. ; _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 Abraham Lopez . . . . 27858 2 Michael Sattler . . . . 27858 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Sattler group, TUM-HMGU' . 27858 2 . 'Sattler group, TUM-HMGU' . 27858 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27858 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 534 27858 '15N chemical shifts' 184 27858 '1H chemical shifts' 183 27858 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-21 . original BMRB . 27858 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 27858 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32179743 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational dynamics modulate the catalytic activity of the molecular chaperone Hsp90 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 1410 _Citation.Page_last 1410 _Citation.Year 2020 _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 Sophie Mader . L. . . 27858 1 2 Abraham Lopez . . . . 27858 1 3 Jannis Lawatscheck . . . . 27858 1 4 Qi Luo . . . . 27858 1 5 Daniel Rutz . A. . . 27858 1 6 Ana Gamiz-Hernandez . P. . . 27858 1 7 Michael Sattler . . . . 27858 1 8 Johannes Buchner . . . . 27858 1 9 Ville Kaila . RI . . 27858 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Hsp90 27858 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27858 _Assembly.ID 1 _Assembly.Name 'Hsp82 NTD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 NTD 1 $Hsp82_R32A_N-terminal_domain A . yes native no no . . . 27858 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hsp82_R32A_N-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode Hsp82_R32A_N-terminal_domain _Entity.Entry_ID 27858 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hsp82_R32A_N-terminal_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASETFEFQAEITQLMSLII NTVYSNKEIFLAELISNASD ALDKIRYKSLSDPKQLETEP DLFIRITPKPEQKVLEIRDS GIGMTKAELINNLGTIAKSG TKAFMEALSAGADVSMIGQF GVGFYSLFLVADRVQVISKS NDDEQYIWESNAGGSFTVTL DEVNERIGRGTILRLFLKDD QLEYLEEKRIKEVIKRHSEF VAYPIQLVVT ; _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 210 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal ATP binding domain' _Entity.Mutation R32A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . MET . 27858 1 2 . ALA . 27858 1 3 . SER . 27858 1 4 . GLU . 27858 1 5 . THR . 27858 1 6 . PHE . 27858 1 7 . GLU . 27858 1 8 . PHE . 27858 1 9 . GLN . 27858 1 10 . ALA . 27858 1 11 . GLU . 27858 1 12 . ILE . 27858 1 13 . THR . 27858 1 14 . GLN . 27858 1 15 . LEU . 27858 1 16 . MET . 27858 1 17 . SER . 27858 1 18 . LEU . 27858 1 19 . ILE . 27858 1 20 . ILE . 27858 1 21 . ASN . 27858 1 22 . THR . 27858 1 23 . VAL . 27858 1 24 . TYR . 27858 1 25 . SER . 27858 1 26 . ASN . 27858 1 27 . LYS . 27858 1 28 . GLU . 27858 1 29 . ILE . 27858 1 30 . PHE . 27858 1 31 . LEU . 27858 1 32 . ALA . 27858 1 33 . GLU . 27858 1 34 . LEU . 27858 1 35 . ILE . 27858 1 36 . SER . 27858 1 37 . ASN . 27858 1 38 . ALA . 27858 1 39 . SER . 27858 1 40 . ASP . 27858 1 41 . ALA . 27858 1 42 . LEU . 27858 1 43 . ASP . 27858 1 44 . LYS . 27858 1 45 . ILE . 27858 1 46 . ARG . 27858 1 47 . TYR . 27858 1 48 . LYS . 27858 1 49 . SER . 27858 1 50 . LEU . 27858 1 51 . SER . 27858 1 52 . ASP . 27858 1 53 . PRO . 27858 1 54 . LYS . 27858 1 55 . GLN . 27858 1 56 . LEU . 27858 1 57 . GLU . 27858 1 58 . THR . 27858 1 59 . GLU . 27858 1 60 . PRO . 27858 1 61 . ASP . 27858 1 62 . LEU . 27858 1 63 . PHE . 27858 1 64 . ILE . 27858 1 65 . ARG . 27858 1 66 . ILE . 27858 1 67 . THR . 27858 1 68 . PRO . 27858 1 69 . LYS . 27858 1 70 . PRO . 27858 1 71 . GLU . 27858 1 72 . GLN . 27858 1 73 . LYS . 27858 1 74 . VAL . 27858 1 75 . LEU . 27858 1 76 . GLU . 27858 1 77 . ILE . 27858 1 78 . ARG . 27858 1 79 . ASP . 27858 1 80 . SER . 27858 1 81 . GLY . 27858 1 82 . ILE . 27858 1 83 . GLY . 27858 1 84 . MET . 27858 1 85 . THR . 27858 1 86 . LYS . 27858 1 87 . ALA . 27858 1 88 . GLU . 27858 1 89 . LEU . 27858 1 90 . ILE . 27858 1 91 . ASN . 27858 1 92 . ASN . 27858 1 93 . LEU . 27858 1 94 . GLY . 27858 1 95 . THR . 27858 1 96 . ILE . 27858 1 97 . ALA . 27858 1 98 . LYS . 27858 1 99 . SER . 27858 1 100 . GLY . 27858 1 101 . THR . 27858 1 102 . LYS . 27858 1 103 . ALA . 27858 1 104 . PHE . 27858 1 105 . MET . 27858 1 106 . GLU . 27858 1 107 . ALA . 27858 1 108 . LEU . 27858 1 109 . SER . 27858 1 110 . ALA . 27858 1 111 . GLY . 27858 1 112 . ALA . 27858 1 113 . ASP . 27858 1 114 . VAL . 27858 1 115 . SER . 27858 1 116 . MET . 27858 1 117 . ILE . 27858 1 118 . GLY . 27858 1 119 . GLN . 27858 1 120 . PHE . 27858 1 121 . GLY . 27858 1 122 . VAL . 27858 1 123 . GLY . 27858 1 124 . PHE . 27858 1 125 . TYR . 27858 1 126 . SER . 27858 1 127 . LEU . 27858 1 128 . PHE . 27858 1 129 . LEU . 27858 1 130 . VAL . 27858 1 131 . ALA . 27858 1 132 . ASP . 27858 1 133 . ARG . 27858 1 134 . VAL . 27858 1 135 . GLN . 27858 1 136 . VAL . 27858 1 137 . ILE . 27858 1 138 . SER . 27858 1 139 . LYS . 27858 1 140 . SER . 27858 1 141 . ASN . 27858 1 142 . ASP . 27858 1 143 . ASP . 27858 1 144 . GLU . 27858 1 145 . GLN . 27858 1 146 . TYR . 27858 1 147 . ILE . 27858 1 148 . TRP . 27858 1 149 . GLU . 27858 1 150 . SER . 27858 1 151 . ASN . 27858 1 152 . ALA . 27858 1 153 . GLY . 27858 1 154 . GLY . 27858 1 155 . SER . 27858 1 156 . PHE . 27858 1 157 . THR . 27858 1 158 . VAL . 27858 1 159 . THR . 27858 1 160 . LEU . 27858 1 161 . ASP . 27858 1 162 . GLU . 27858 1 163 . VAL . 27858 1 164 . ASN . 27858 1 165 . GLU . 27858 1 166 . ARG . 27858 1 167 . ILE . 27858 1 168 . GLY . 27858 1 169 . ARG . 27858 1 170 . GLY . 27858 1 171 . THR . 27858 1 172 . ILE . 27858 1 173 . LEU . 27858 1 174 . ARG . 27858 1 175 . LEU . 27858 1 176 . PHE . 27858 1 177 . LEU . 27858 1 178 . LYS . 27858 1 179 . ASP . 27858 1 180 . ASP . 27858 1 181 . GLN . 27858 1 182 . LEU . 27858 1 183 . GLU . 27858 1 184 . TYR . 27858 1 185 . LEU . 27858 1 186 . GLU . 27858 1 187 . GLU . 27858 1 188 . LYS . 27858 1 189 . ARG . 27858 1 190 . ILE . 27858 1 191 . LYS . 27858 1 192 . GLU . 27858 1 193 . VAL . 27858 1 194 . ILE . 27858 1 195 . LYS . 27858 1 196 . ARG . 27858 1 197 . HIS . 27858 1 198 . SER . 27858 1 199 . GLU . 27858 1 200 . PHE . 27858 1 201 . VAL . 27858 1 202 . ALA . 27858 1 203 . TYR . 27858 1 204 . PRO . 27858 1 205 . ILE . 27858 1 206 . GLN . 27858 1 207 . LEU . 27858 1 208 . VAL . 27858 1 209 . VAL . 27858 1 210 . THR . 27858 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27858 1 . ALA 2 2 27858 1 . SER 3 3 27858 1 . GLU 4 4 27858 1 . THR 5 5 27858 1 . PHE 6 6 27858 1 . GLU 7 7 27858 1 . PHE 8 8 27858 1 . GLN 9 9 27858 1 . ALA 10 10 27858 1 . GLU 11 11 27858 1 . ILE 12 12 27858 1 . THR 13 13 27858 1 . GLN 14 14 27858 1 . LEU 15 15 27858 1 . MET 16 16 27858 1 . SER 17 17 27858 1 . LEU 18 18 27858 1 . ILE 19 19 27858 1 . ILE 20 20 27858 1 . ASN 21 21 27858 1 . THR 22 22 27858 1 . VAL 23 23 27858 1 . TYR 24 24 27858 1 . SER 25 25 27858 1 . ASN 26 26 27858 1 . LYS 27 27 27858 1 . GLU 28 28 27858 1 . ILE 29 29 27858 1 . PHE 30 30 27858 1 . LEU 31 31 27858 1 . ALA 32 32 27858 1 . GLU 33 33 27858 1 . LEU 34 34 27858 1 . ILE 35 35 27858 1 . SER 36 36 27858 1 . ASN 37 37 27858 1 . ALA 38 38 27858 1 . SER 39 39 27858 1 . ASP 40 40 27858 1 . ALA 41 41 27858 1 . LEU 42 42 27858 1 . ASP 43 43 27858 1 . LYS 44 44 27858 1 . ILE 45 45 27858 1 . ARG 46 46 27858 1 . TYR 47 47 27858 1 . LYS 48 48 27858 1 . SER 49 49 27858 1 . LEU 50 50 27858 1 . SER 51 51 27858 1 . ASP 52 52 27858 1 . PRO 53 53 27858 1 . LYS 54 54 27858 1 . GLN 55 55 27858 1 . LEU 56 56 27858 1 . GLU 57 57 27858 1 . THR 58 58 27858 1 . GLU 59 59 27858 1 . PRO 60 60 27858 1 . ASP 61 61 27858 1 . LEU 62 62 27858 1 . PHE 63 63 27858 1 . ILE 64 64 27858 1 . ARG 65 65 27858 1 . ILE 66 66 27858 1 . THR 67 67 27858 1 . PRO 68 68 27858 1 . LYS 69 69 27858 1 . PRO 70 70 27858 1 . GLU 71 71 27858 1 . GLN 72 72 27858 1 . LYS 73 73 27858 1 . VAL 74 74 27858 1 . LEU 75 75 27858 1 . GLU 76 76 27858 1 . ILE 77 77 27858 1 . ARG 78 78 27858 1 . ASP 79 79 27858 1 . SER 80 80 27858 1 . GLY 81 81 27858 1 . ILE 82 82 27858 1 . GLY 83 83 27858 1 . MET 84 84 27858 1 . THR 85 85 27858 1 . LYS 86 86 27858 1 . ALA 87 87 27858 1 . GLU 88 88 27858 1 . LEU 89 89 27858 1 . ILE 90 90 27858 1 . ASN 91 91 27858 1 . ASN 92 92 27858 1 . LEU 93 93 27858 1 . GLY 94 94 27858 1 . THR 95 95 27858 1 . ILE 96 96 27858 1 . ALA 97 97 27858 1 . LYS 98 98 27858 1 . SER 99 99 27858 1 . GLY 100 100 27858 1 . THR 101 101 27858 1 . LYS 102 102 27858 1 . ALA 103 103 27858 1 . PHE 104 104 27858 1 . MET 105 105 27858 1 . GLU 106 106 27858 1 . ALA 107 107 27858 1 . LEU 108 108 27858 1 . SER 109 109 27858 1 . ALA 110 110 27858 1 . GLY 111 111 27858 1 . ALA 112 112 27858 1 . ASP 113 113 27858 1 . VAL 114 114 27858 1 . SER 115 115 27858 1 . MET 116 116 27858 1 . ILE 117 117 27858 1 . GLY 118 118 27858 1 . GLN 119 119 27858 1 . PHE 120 120 27858 1 . GLY 121 121 27858 1 . VAL 122 122 27858 1 . GLY 123 123 27858 1 . PHE 124 124 27858 1 . TYR 125 125 27858 1 . SER 126 126 27858 1 . LEU 127 127 27858 1 . PHE 128 128 27858 1 . LEU 129 129 27858 1 . VAL 130 130 27858 1 . ALA 131 131 27858 1 . ASP 132 132 27858 1 . ARG 133 133 27858 1 . VAL 134 134 27858 1 . GLN 135 135 27858 1 . VAL 136 136 27858 1 . ILE 137 137 27858 1 . SER 138 138 27858 1 . LYS 139 139 27858 1 . SER 140 140 27858 1 . ASN 141 141 27858 1 . ASP 142 142 27858 1 . ASP 143 143 27858 1 . GLU 144 144 27858 1 . GLN 145 145 27858 1 . TYR 146 146 27858 1 . ILE 147 147 27858 1 . TRP 148 148 27858 1 . GLU 149 149 27858 1 . SER 150 150 27858 1 . ASN 151 151 27858 1 . ALA 152 152 27858 1 . GLY 153 153 27858 1 . GLY 154 154 27858 1 . SER 155 155 27858 1 . PHE 156 156 27858 1 . THR 157 157 27858 1 . VAL 158 158 27858 1 . THR 159 159 27858 1 . LEU 160 160 27858 1 . ASP 161 161 27858 1 . GLU 162 162 27858 1 . VAL 163 163 27858 1 . ASN 164 164 27858 1 . GLU 165 165 27858 1 . ARG 166 166 27858 1 . ILE 167 167 27858 1 . GLY 168 168 27858 1 . ARG 169 169 27858 1 . GLY 170 170 27858 1 . THR 171 171 27858 1 . ILE 172 172 27858 1 . LEU 173 173 27858 1 . ARG 174 174 27858 1 . LEU 175 175 27858 1 . PHE 176 176 27858 1 . LEU 177 177 27858 1 . LYS 178 178 27858 1 . ASP 179 179 27858 1 . ASP 180 180 27858 1 . GLN 181 181 27858 1 . LEU 182 182 27858 1 . GLU 183 183 27858 1 . TYR 184 184 27858 1 . LEU 185 185 27858 1 . GLU 186 186 27858 1 . GLU 187 187 27858 1 . LYS 188 188 27858 1 . ARG 189 189 27858 1 . ILE 190 190 27858 1 . LYS 191 191 27858 1 . GLU 192 192 27858 1 . VAL 193 193 27858 1 . ILE 194 194 27858 1 . LYS 195 195 27858 1 . ARG 196 196 27858 1 . HIS 197 197 27858 1 . SER 198 198 27858 1 . GLU 199 199 27858 1 . PHE 200 200 27858 1 . VAL 201 201 27858 1 . ALA 202 202 27858 1 . TYR 203 203 27858 1 . PRO 204 204 27858 1 . ILE 205 205 27858 1 . GLN 206 206 27858 1 . LEU 207 207 27858 1 . VAL 208 208 27858 1 . VAL 209 209 27858 1 . THR 210 210 27858 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 27858 _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 $Hsp82_R32A_N-terminal_domain . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . 27858 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 27858 _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 $Hsp82_R32A_N-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pET-28 . . . 27858 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27858 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Hsp82 R32A N-terminal domain' '[U-100% 13C; U-100% 15N]' . . 1 $Hsp82_R32A_N-terminal_domain . . 400 . . uM . . . . 27858 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27858 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27858 1 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 27858 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27858 1 6 D2O [U-2H] . . . . . . 5 . . '% v/v' . . . . 27858 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27858 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27858 1 pressure 1 . atm 27858 1 temperature 298 . K 27858 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27858 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 'Ccpnmr 2.4.2' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27858 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27858 1 'peak picking' . 27858 1 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 27858 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27858 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27858 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27858 1 2 spectrometer_2 Bruker Avance . 950 . . . 27858 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 27858 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27858 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27858 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27858 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27858 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27858 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 27858 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 27858 1 H 1 TMS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27858 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 27858 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27858 1 2 '3D HNCA' . . . 27858 1 3 '3D HN(CO)CA' . . . 27858 1 4 '3D HNCACB' . . . 27858 1 5 '3D HNCO' . . . 27858 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 175.929 0.000 . 1 . . . . . 1 MET C . 27858 1 2 . 1 . 1 1 1 MET CA C 13 54.946 0.001 . 1 . . . . . 1 MET CA . 27858 1 3 . 1 . 1 1 1 MET CB C 13 32.963 0.000 . 1 . . . . . 1 MET CB . 27858 1 4 . 1 . 1 1 1 MET N N 15 120.473 0.006 . 1 . . . . . 1 MET N . 27858 1 5 . 1 . 1 2 2 ALA H H 1 8.441 0.002 . 1 . . . . . 2 ALA H . 27858 1 6 . 1 . 1 2 2 ALA C C 13 177.414 0.000 . 1 . . . . . 2 ALA C . 27858 1 7 . 1 . 1 2 2 ALA CA C 13 52.387 0.013 . 1 . . . . . 2 ALA CA . 27858 1 8 . 1 . 1 2 2 ALA CB C 13 19.305 0.000 . 1 . . . . . 2 ALA CB . 27858 1 9 . 1 . 1 2 2 ALA N N 15 126.722 0.006 . 1 . . . . . 2 ALA N . 27858 1 10 . 1 . 1 3 3 SER H H 1 8.114 0.001 . 1 . . . . . 3 SER H . 27858 1 11 . 1 . 1 3 3 SER C C 13 173.699 0.000 . 1 . . . . . 3 SER C . 27858 1 12 . 1 . 1 3 3 SER CA C 13 57.901 0.003 . 1 . . . . . 3 SER CA . 27858 1 13 . 1 . 1 3 3 SER CB C 13 64.652 0.000 . 1 . . . . . 3 SER CB . 27858 1 14 . 1 . 1 3 3 SER N N 15 115.602 0.005 . 1 . . . . . 3 SER N . 27858 1 15 . 1 . 1 4 4 GLU H H 1 8.325 0.001 . 1 . . . . . 4 GLU H . 27858 1 16 . 1 . 1 4 4 GLU C C 13 174.31 0.000 . 1 . . . . . 4 GLU C . 27858 1 17 . 1 . 1 4 4 GLU CA C 13 55.576 0.173 . 1 . . . . . 4 GLU CA . 27858 1 18 . 1 . 1 4 4 GLU CB C 13 34.07 0.000 . 1 . . . . . 4 GLU CB . 27858 1 19 . 1 . 1 4 4 GLU N N 15 124.313 0.010 . 1 . . . . . 4 GLU N . 27858 1 20 . 1 . 1 5 5 THR H H 1 7.945 0.002 . 1 . . . . . 5 THR H . 27858 1 21 . 1 . 1 5 5 THR C C 13 172.537 0.000 . 1 . . . . . 5 THR C . 27858 1 22 . 1 . 1 5 5 THR CA C 13 61.511 0.014 . 1 . . . . . 5 THR CA . 27858 1 23 . 1 . 1 5 5 THR CB C 13 70.166 0.000 . 1 . . . . . 5 THR CB . 27858 1 24 . 1 . 1 5 5 THR N N 15 118.783 0.008 . 1 . . . . . 5 THR N . 27858 1 25 . 1 . 1 6 6 PHE H H 1 8.525 0.006 . 1 . . . . . 6 PHE H . 27858 1 26 . 1 . 1 6 6 PHE C C 13 173.68 0.000 . 1 . . . . . 6 PHE C . 27858 1 27 . 1 . 1 6 6 PHE CA C 13 55.701 0.008 . 1 . . . . . 6 PHE CA . 27858 1 28 . 1 . 1 6 6 PHE CB C 13 38.899 0.000 . 1 . . . . . 6 PHE CB . 27858 1 29 . 1 . 1 6 6 PHE N N 15 125.499 0.037 . 1 . . . . . 6 PHE N . 27858 1 30 . 1 . 1 7 7 GLU H H 1 8.279 0.001 . 1 . . . . . 7 GLU H . 27858 1 31 . 1 . 1 7 7 GLU C C 13 177.891 0.000 . 1 . . . . . 7 GLU C . 27858 1 32 . 1 . 1 7 7 GLU CA C 13 55.126 0.005 . 1 . . . . . 7 GLU CA . 27858 1 33 . 1 . 1 7 7 GLU CB C 13 31.215 0.000 . 1 . . . . . 7 GLU CB . 27858 1 34 . 1 . 1 7 7 GLU N N 15 119.293 0.011 . 1 . . . . . 7 GLU N . 27858 1 35 . 1 . 1 8 8 PHE H H 1 8.003 0.003 . 1 . . . . . 8 PHE H . 27858 1 36 . 1 . 1 8 8 PHE CA C 13 59.492 0.148 . 1 . . . . . 8 PHE CA . 27858 1 37 . 1 . 1 8 8 PHE CB C 13 41.006 0.000 . 1 . . . . . 8 PHE CB . 27858 1 38 . 1 . 1 8 8 PHE N N 15 121.115 0.012 . 1 . . . . . 8 PHE N . 27858 1 39 . 1 . 1 11 11 GLU C C 13 178.402 0.000 . 1 . . . . . 11 GLU C . 27858 1 40 . 1 . 1 12 12 ILE H H 1 7.43 0.006 . 1 . . . . . 12 ILE H . 27858 1 41 . 1 . 1 12 12 ILE C C 13 177.662 0.000 . 1 . . . . . 12 ILE C . 27858 1 42 . 1 . 1 12 12 ILE CA C 13 63.707 0.007 . 1 . . . . . 12 ILE CA . 27858 1 43 . 1 . 1 12 12 ILE CB C 13 37.164 0.000 . 1 . . . . . 12 ILE CB . 27858 1 44 . 1 . 1 12 12 ILE N N 15 119.265 0.046 . 1 . . . . . 12 ILE N . 27858 1 45 . 1 . 1 13 13 THR H H 1 7.616 0.002 . 1 . . . . . 13 THR H . 27858 1 46 . 1 . 1 13 13 THR C C 13 177.12 0.000 . 1 . . . . . 13 THR C . 27858 1 47 . 1 . 1 13 13 THR CA C 13 66.445 0.002 . 1 . . . . . 13 THR CA . 27858 1 48 . 1 . 1 13 13 THR CB C 13 68.089 0.000 . 1 . . . . . 13 THR CB . 27858 1 49 . 1 . 1 13 13 THR N N 15 117.886 0.020 . 1 . . . . . 13 THR N . 27858 1 50 . 1 . 1 14 14 GLN H H 1 7.833 0.001 . 1 . . . . . 14 GLN H . 27858 1 51 . 1 . 1 14 14 GLN C C 13 178.242 0.000 . 1 . . . . . 14 GLN C . 27858 1 52 . 1 . 1 14 14 GLN CA C 13 58.629 0.005 . 1 . . . . . 14 GLN CA . 27858 1 53 . 1 . 1 14 14 GLN CB C 13 28.227 0.000 . 1 . . . . . 14 GLN CB . 27858 1 54 . 1 . 1 14 14 GLN N N 15 121.359 0.014 . 1 . . . . . 14 GLN N . 27858 1 55 . 1 . 1 15 15 LEU H H 1 7.891 0.003 . 1 . . . . . 15 LEU H . 27858 1 56 . 1 . 1 15 15 LEU C C 13 178.118 0.000 . 1 . . . . . 15 LEU C . 27858 1 57 . 1 . 1 15 15 LEU CA C 13 58.133 0.002 . 1 . . . . . 15 LEU CA . 27858 1 58 . 1 . 1 15 15 LEU CB C 13 41.128 0.000 . 1 . . . . . 15 LEU CB . 27858 1 59 . 1 . 1 15 15 LEU N N 15 123.03 0.007 . 1 . . . . . 15 LEU N . 27858 1 60 . 1 . 1 16 16 MET H H 1 8.452 0.007 . 1 . . . . . 16 MET H . 27858 1 61 . 1 . 1 16 16 MET C C 13 177.117 0.000 . 1 . . . . . 16 MET C . 27858 1 62 . 1 . 1 16 16 MET CA C 13 60.471 0.005 . 1 . . . . . 16 MET CA . 27858 1 63 . 1 . 1 16 16 MET CB C 13 33.15 0.000 . 1 . . . . . 16 MET CB . 27858 1 64 . 1 . 1 16 16 MET N N 15 117.853 0.042 . 1 . . . . . 16 MET N . 27858 1 65 . 1 . 1 17 17 SER H H 1 7.742 0.001 . 1 . . . . . 17 SER H . 27858 1 66 . 1 . 1 17 17 SER C C 13 176.37 0.000 . 1 . . . . . 17 SER C . 27858 1 67 . 1 . 1 17 17 SER CA C 13 61.339 0.015 . 1 . . . . . 17 SER CA . 27858 1 68 . 1 . 1 17 17 SER CB C 13 62.898 0.000 . 1 . . . . . 17 SER CB . 27858 1 69 . 1 . 1 17 17 SER N N 15 112.59 0.007 . 1 . . . . . 17 SER N . 27858 1 70 . 1 . 1 18 18 LEU H H 1 7.703 0.001 . 1 . . . . . 18 LEU H . 27858 1 71 . 1 . 1 18 18 LEU C C 13 180.224 0.000 . 1 . . . . . 18 LEU C . 27858 1 72 . 1 . 1 18 18 LEU CA C 13 57.788 0.005 . 1 . . . . . 18 LEU CA . 27858 1 73 . 1 . 1 18 18 LEU CB C 13 42.392 0.000 . 1 . . . . . 18 LEU CB . 27858 1 74 . 1 . 1 18 18 LEU N N 15 122.143 0.030 . 1 . . . . . 18 LEU N . 27858 1 75 . 1 . 1 19 19 ILE H H 1 8.251 0.008 . 1 . . . . . 19 ILE H . 27858 1 76 . 1 . 1 19 19 ILE C C 13 177.458 0.000 . 1 . . . . . 19 ILE C . 27858 1 77 . 1 . 1 19 19 ILE CA C 13 64.193 0.028 . 1 . . . . . 19 ILE CA . 27858 1 78 . 1 . 1 19 19 ILE CB C 13 38.332 0.000 . 1 . . . . . 19 ILE CB . 27858 1 79 . 1 . 1 19 19 ILE N N 15 120.175 0.013 . 1 . . . . . 19 ILE N . 27858 1 80 . 1 . 1 20 20 ILE H H 1 8.372 0.004 . 1 . . . . . 20 ILE H . 27858 1 81 . 1 . 1 20 20 ILE C C 13 177.083 0.000 . 1 . . . . . 20 ILE C . 27858 1 82 . 1 . 1 20 20 ILE CA C 13 64.348 0.007 . 1 . . . . . 20 ILE CA . 27858 1 83 . 1 . 1 20 20 ILE CB C 13 38.547 0.000 . 1 . . . . . 20 ILE CB . 27858 1 84 . 1 . 1 20 20 ILE N N 15 118.817 0.014 . 1 . . . . . 20 ILE N . 27858 1 85 . 1 . 1 21 21 ASN H H 1 7.362 0.002 . 1 . . . . . 21 ASN H . 27858 1 86 . 1 . 1 21 21 ASN CA C 13 53.802 0.135 . 1 . . . . . 21 ASN CA . 27858 1 87 . 1 . 1 21 21 ASN CB C 13 40.35 0.000 . 1 . . . . . 21 ASN CB . 27858 1 88 . 1 . 1 21 21 ASN N N 15 114.872 0.047 . 1 . . . . . 21 ASN N . 27858 1 89 . 1 . 1 26 26 ASN C C 13 174.884 0.000 . 1 . . . . . 26 ASN C . 27858 1 90 . 1 . 1 27 27 LYS H H 1 8.147 0.002 . 1 . . . . . 27 LYS H . 27858 1 91 . 1 . 1 27 27 LYS C C 13 176.379 0.000 . 1 . . . . . 27 LYS C . 27858 1 92 . 1 . 1 27 27 LYS CA C 13 59.109 0.018 . 1 . . . . . 27 LYS CA . 27858 1 93 . 1 . 1 27 27 LYS N N 15 118.558 0.039 . 1 . . . . . 27 LYS N . 27858 1 94 . 1 . 1 28 28 GLU H H 1 8.382 0.002 . 1 . . . . . 28 GLU H . 27858 1 95 . 1 . 1 28 28 GLU C C 13 175.632 0.000 . 1 . . . . . 28 GLU C . 27858 1 96 . 1 . 1 28 28 GLU CA C 13 58.015 0.013 . 1 . . . . . 28 GLU CA . 27858 1 97 . 1 . 1 28 28 GLU CB C 13 29.044 0.000 . 1 . . . . . 28 GLU CB . 27858 1 98 . 1 . 1 28 28 GLU N N 15 115.993 0.015 . 1 . . . . . 28 GLU N . 27858 1 99 . 1 . 1 29 29 ILE H H 1 7.117 0.002 . 1 . . . . . 29 ILE H . 27858 1 100 . 1 . 1 29 29 ILE C C 13 176.463 0.000 . 1 . . . . . 29 ILE C . 27858 1 101 . 1 . 1 29 29 ILE CA C 13 62.148 0.013 . 1 . . . . . 29 ILE CA . 27858 1 102 . 1 . 1 29 29 ILE CB C 13 38.06 0.000 . 1 . . . . . 29 ILE CB . 27858 1 103 . 1 . 1 29 29 ILE N N 15 115.476 0.021 . 1 . . . . . 29 ILE N . 27858 1 104 . 1 . 1 30 30 PHE H H 1 7.863 0.007 . 1 . . . . . 30 PHE H . 27858 1 105 . 1 . 1 30 30 PHE CA C 13 59.148 0.034 . 1 . . . . . 30 PHE CA . 27858 1 106 . 1 . 1 30 30 PHE CB C 13 37.957 0.000 . 1 . . . . . 30 PHE CB . 27858 1 107 . 1 . 1 30 30 PHE N N 15 120.817 0.023 . 1 . . . . . 30 PHE N . 27858 1 108 . 1 . 1 31 31 LEU H H 1 5.79 0.003 . 1 . . . . . 31 LEU H . 27858 1 109 . 1 . 1 31 31 LEU C C 13 177.932 0.000 . 1 . . . . . 31 LEU C . 27858 1 110 . 1 . 1 31 31 LEU CA C 13 56.573 0.027 . 1 . . . . . 31 LEU CA . 27858 1 111 . 1 . 1 31 31 LEU N N 15 123.72 0.058 . 1 . . . . . 31 LEU N . 27858 1 112 . 1 . 1 32 32 ALA H H 1 6.556 0.003 . 1 . . . . . 32 ALA H . 27858 1 113 . 1 . 1 32 32 ALA C C 13 180.658 0.000 . 1 . . . . . 32 ALA C . 27858 1 114 . 1 . 1 32 32 ALA CA C 13 54.425 0.005 . 1 . . . . . 32 ALA CA . 27858 1 115 . 1 . 1 32 32 ALA CB C 13 18.088 0.000 . 1 . . . . . 32 ALA CB . 27858 1 116 . 1 . 1 32 32 ALA N N 15 120.411 0.007 . 1 . . . . . 32 ALA N . 27858 1 117 . 1 . 1 33 33 GLU H H 1 7.687 0.002 . 1 . . . . . 33 GLU H . 27858 1 118 . 1 . 1 33 33 GLU C C 13 179.341 0.000 . 1 . . . . . 33 GLU C . 27858 1 119 . 1 . 1 33 33 GLU CA C 13 57.833 0.003 . 1 . . . . . 33 GLU CA . 27858 1 120 . 1 . 1 33 33 GLU CB C 13 28.617 0.000 . 1 . . . . . 33 GLU CB . 27858 1 121 . 1 . 1 33 33 GLU N N 15 116.911 0.041 . 1 . . . . . 33 GLU N . 27858 1 122 . 1 . 1 34 34 LEU H H 1 7.853 0.008 . 1 . . . . . 34 LEU H . 27858 1 123 . 1 . 1 34 34 LEU C C 13 180.948 0.000 . 1 . . . . . 34 LEU C . 27858 1 124 . 1 . 1 34 34 LEU CA C 13 57.441 0.018 . 1 . . . . . 34 LEU CA . 27858 1 125 . 1 . 1 34 34 LEU CB C 13 40.458 0.000 . 1 . . . . . 34 LEU CB . 27858 1 126 . 1 . 1 34 34 LEU N N 15 119.444 0.012 . 1 . . . . . 34 LEU N . 27858 1 127 . 1 . 1 35 35 ILE H H 1 8.367 0.001 . 1 . . . . . 35 ILE H . 27858 1 128 . 1 . 1 35 35 ILE C C 13 177.313 0.000 . 1 . . . . . 35 ILE C . 27858 1 129 . 1 . 1 35 35 ILE CA C 13 65.526 0.005 . 1 . . . . . 35 ILE CA . 27858 1 130 . 1 . 1 35 35 ILE CB C 13 36.978 0.000 . 1 . . . . . 35 ILE CB . 27858 1 131 . 1 . 1 35 35 ILE N N 15 123.26 0.025 . 1 . . . . . 35 ILE N . 27858 1 132 . 1 . 1 36 36 SER H H 1 8.069 0.001 . 1 . . . . . 36 SER H . 27858 1 133 . 1 . 1 36 36 SER C C 13 176.968 0.000 . 1 . . . . . 36 SER C . 27858 1 134 . 1 . 1 36 36 SER CA C 13 61.747 0.023 . 1 . . . . . 36 SER CA . 27858 1 135 . 1 . 1 36 36 SER N N 15 117.709 0.007 . 1 . . . . . 36 SER N . 27858 1 136 . 1 . 1 37 37 ASN H H 1 7.97 0.002 . 1 . . . . . 37 ASN H . 27858 1 137 . 1 . 1 37 37 ASN C C 13 177.792 0.000 . 1 . . . . . 37 ASN C . 27858 1 138 . 1 . 1 37 37 ASN CA C 13 55.645 0.008 . 1 . . . . . 37 ASN CA . 27858 1 139 . 1 . 1 37 37 ASN CB C 13 38.16 0.000 . 1 . . . . . 37 ASN CB . 27858 1 140 . 1 . 1 37 37 ASN N N 15 119.978 0.018 . 1 . . . . . 37 ASN N . 27858 1 141 . 1 . 1 38 38 ALA H H 1 7.775 0.001 . 1 . . . . . 38 ALA H . 27858 1 142 . 1 . 1 38 38 ALA C C 13 178.399 0.000 . 1 . . . . . 38 ALA C . 27858 1 143 . 1 . 1 38 38 ALA CA C 13 54.59 0.001 . 1 . . . . . 38 ALA CA . 27858 1 144 . 1 . 1 38 38 ALA CB C 13 18.537 0.000 . 1 . . . . . 38 ALA CB . 27858 1 145 . 1 . 1 38 38 ALA N N 15 125.161 0.007 . 1 . . . . . 38 ALA N . 27858 1 146 . 1 . 1 39 39 SER H H 1 8.421 0.002 . 1 . . . . . 39 SER H . 27858 1 147 . 1 . 1 39 39 SER C C 13 176.546 0.000 . 1 . . . . . 39 SER C . 27858 1 148 . 1 . 1 39 39 SER CA C 13 61.505 0.007 . 1 . . . . . 39 SER CA . 27858 1 149 . 1 . 1 39 39 SER CB C 13 63.314 0.000 . 1 . . . . . 39 SER CB . 27858 1 150 . 1 . 1 39 39 SER N N 15 112.718 0.009 . 1 . . . . . 39 SER N . 27858 1 151 . 1 . 1 40 40 ASP H H 1 8.098 0.001 . 1 . . . . . 40 ASP H . 27858 1 152 . 1 . 1 40 40 ASP C C 13 178.145 0.000 . 1 . . . . . 40 ASP C . 27858 1 153 . 1 . 1 40 40 ASP CA C 13 57.283 0.002 . 1 . . . . . 40 ASP CA . 27858 1 154 . 1 . 1 40 40 ASP CB C 13 40.744 0.000 . 1 . . . . . 40 ASP CB . 27858 1 155 . 1 . 1 40 40 ASP N N 15 120.094 0.014 . 1 . . . . . 40 ASP N . 27858 1 156 . 1 . 1 41 41 ALA H H 1 7.742 0.001 . 1 . . . . . 41 ALA H . 27858 1 157 . 1 . 1 41 41 ALA C C 13 181.74 0.000 . 1 . . . . . 41 ALA C . 27858 1 158 . 1 . 1 41 41 ALA CA C 13 55.099 0.006 . 1 . . . . . 41 ALA CA . 27858 1 159 . 1 . 1 41 41 ALA CB C 13 18.675 0.000 . 1 . . . . . 41 ALA CB . 27858 1 160 . 1 . 1 41 41 ALA N N 15 123.211 0.010 . 1 . . . . . 41 ALA N . 27858 1 161 . 1 . 1 42 42 LEU H H 1 8.199 0.002 . 1 . . . . . 42 LEU H . 27858 1 162 . 1 . 1 42 42 LEU C C 13 178.014 0.000 . 1 . . . . . 42 LEU C . 27858 1 163 . 1 . 1 42 42 LEU CA C 13 57.547 0.003 . 1 . . . . . 42 LEU CA . 27858 1 164 . 1 . 1 42 42 LEU CB C 13 41.229 0.000 . 1 . . . . . 42 LEU CB . 27858 1 165 . 1 . 1 42 42 LEU N N 15 124.628 0.017 . 1 . . . . . 42 LEU N . 27858 1 166 . 1 . 1 43 43 ASP H H 1 8.789 0.001 . 1 . . . . . 43 ASP H . 27858 1 167 . 1 . 1 43 43 ASP C C 13 179.083 0.000 . 1 . . . . . 43 ASP C . 27858 1 168 . 1 . 1 43 43 ASP CA C 13 57.169 0.022 . 1 . . . . . 43 ASP CA . 27858 1 169 . 1 . 1 43 43 ASP CB C 13 39.71 0.000 . 1 . . . . . 43 ASP CB . 27858 1 170 . 1 . 1 43 43 ASP N N 15 121.166 0.015 . 1 . . . . . 43 ASP N . 27858 1 171 . 1 . 1 44 44 LYS H H 1 7.892 0.002 . 1 . . . . . 44 LYS H . 27858 1 172 . 1 . 1 44 44 LYS C C 13 180.312 0.000 . 1 . . . . . 44 LYS C . 27858 1 173 . 1 . 1 44 44 LYS CA C 13 60.113 0.004 . 1 . . . . . 44 LYS CA . 27858 1 174 . 1 . 1 44 44 LYS CB C 13 33.155 0.000 . 1 . . . . . 44 LYS CB . 27858 1 175 . 1 . 1 44 44 LYS N N 15 117.527 0.039 . 1 . . . . . 44 LYS N . 27858 1 176 . 1 . 1 45 45 ILE H H 1 7.442 0.001 . 1 . . . . . 45 ILE H . 27858 1 177 . 1 . 1 45 45 ILE C C 13 176.101 0.000 . 1 . . . . . 45 ILE C . 27858 1 178 . 1 . 1 45 45 ILE CA C 13 59.65 0.017 . 1 . . . . . 45 ILE CA . 27858 1 179 . 1 . 1 45 45 ILE CB C 13 38.553 0.000 . 1 . . . . . 45 ILE CB . 27858 1 180 . 1 . 1 45 45 ILE N N 15 118.767 0.012 . 1 . . . . . 45 ILE N . 27858 1 181 . 1 . 1 46 46 ARG H H 1 8.58 0.000 . 1 . . . . . 46 ARG H . 27858 1 182 . 1 . 1 46 46 ARG C C 13 179.565 0.000 . 1 . . . . . 46 ARG C . 27858 1 183 . 1 . 1 46 46 ARG CA C 13 59.969 0.012 . 1 . . . . . 46 ARG CA . 27858 1 184 . 1 . 1 46 46 ARG CB C 13 30.092 0.000 . 1 . . . . . 46 ARG CB . 27858 1 185 . 1 . 1 46 46 ARG N N 15 128.334 0.006 . 1 . . . . . 46 ARG N . 27858 1 186 . 1 . 1 47 47 TYR H H 1 8.568 0.002 . 1 . . . . . 47 TYR H . 27858 1 187 . 1 . 1 47 47 TYR C C 13 179.362 0.000 . 1 . . . . . 47 TYR C . 27858 1 188 . 1 . 1 47 47 TYR CA C 13 60.907 0.001 . 1 . . . . . 47 TYR CA . 27858 1 189 . 1 . 1 47 47 TYR CB C 13 37.822 0.000 . 1 . . . . . 47 TYR CB . 27858 1 190 . 1 . 1 47 47 TYR N N 15 118.785 0.019 . 1 . . . . . 47 TYR N . 27858 1 191 . 1 . 1 48 48 LYS H H 1 7.829 0.002 . 1 . . . . . 48 LYS H . 27858 1 192 . 1 . 1 48 48 LYS C C 13 178.803 0.000 . 1 . . . . . 48 LYS C . 27858 1 193 . 1 . 1 48 48 LYS CA C 13 59.086 0.007 . 1 . . . . . 48 LYS CA . 27858 1 194 . 1 . 1 48 48 LYS CB C 13 32.916 0.000 . 1 . . . . . 48 LYS CB . 27858 1 195 . 1 . 1 48 48 LYS N N 15 120.744 0.009 . 1 . . . . . 48 LYS N . 27858 1 196 . 1 . 1 49 49 SER H H 1 8.148 0.001 . 1 . . . . . 49 SER H . 27858 1 197 . 1 . 1 49 49 SER C C 13 174.832 0.000 . 1 . . . . . 49 SER C . 27858 1 198 . 1 . 1 49 49 SER CA C 13 59.953 0.009 . 1 . . . . . 49 SER CA . 27858 1 199 . 1 . 1 49 49 SER CB C 13 63.672 0.000 . 1 . . . . . 49 SER CB . 27858 1 200 . 1 . 1 49 49 SER N N 15 113.657 0.007 . 1 . . . . . 49 SER N . 27858 1 201 . 1 . 1 50 50 LEU H H 1 7.301 0.002 . 1 . . . . . 50 LEU H . 27858 1 202 . 1 . 1 50 50 LEU C C 13 178.763 0.000 . 1 . . . . . 50 LEU C . 27858 1 203 . 1 . 1 50 50 LEU CA C 13 57.188 0.002 . 1 . . . . . 50 LEU CA . 27858 1 204 . 1 . 1 50 50 LEU CB C 13 41.315 0.000 . 1 . . . . . 50 LEU CB . 27858 1 205 . 1 . 1 50 50 LEU N N 15 122.451 0.009 . 1 . . . . . 50 LEU N . 27858 1 206 . 1 . 1 51 51 SER H H 1 7.128 0.002 . 1 . . . . . 51 SER H . 27858 1 207 . 1 . 1 51 51 SER C C 13 174.252 0.000 . 1 . . . . . 51 SER C . 27858 1 208 . 1 . 1 51 51 SER CA C 13 58.152 0.001 . 1 . . . . . 51 SER CA . 27858 1 209 . 1 . 1 51 51 SER CB C 13 64.08 0.000 . 1 . . . . . 51 SER CB . 27858 1 210 . 1 . 1 51 51 SER N N 15 110.013 0.008 . 1 . . . . . 51 SER N . 27858 1 211 . 1 . 1 52 52 ASP H H 1 7.349 0.002 . 1 . . . . . 52 ASP H . 27858 1 212 . 1 . 1 52 52 ASP CA C 13 51.601 0.174 . 1 . . . . . 52 ASP CA . 27858 1 213 . 1 . 1 52 52 ASP CB C 13 41.393 0.000 . 1 . . . . . 52 ASP CB . 27858 1 214 . 1 . 1 52 52 ASP N N 15 118.695 0.009 . 1 . . . . . 52 ASP N . 27858 1 215 . 1 . 1 53 53 PRO C C 13 179.1 0.000 . 1 . . . . . 53 PRO C . 27858 1 216 . 1 . 1 53 53 PRO CA C 13 64.78 0.000 . 1 . . . . . 53 PRO CA . 27858 1 217 . 1 . 1 54 54 LYS H H 1 7.999 0.002 . 1 . . . . . 54 LYS H . 27858 1 218 . 1 . 1 54 54 LYS C C 13 179.324 0.000 . 1 . . . . . 54 LYS C . 27858 1 219 . 1 . 1 54 54 LYS CA C 13 58.392 0.003 . 1 . . . . . 54 LYS CA . 27858 1 220 . 1 . 1 54 54 LYS CB C 13 31.471 0.000 . 1 . . . . . 54 LYS CB . 27858 1 221 . 1 . 1 54 54 LYS N N 15 118.658 0.015 . 1 . . . . . 54 LYS N . 27858 1 222 . 1 . 1 55 55 GLN H H 1 7.912 0.001 . 1 . . . . . 55 GLN H . 27858 1 223 . 1 . 1 55 55 GLN C C 13 176.931 0.000 . 1 . . . . . 55 GLN C . 27858 1 224 . 1 . 1 55 55 GLN CA C 13 56.936 0.008 . 1 . . . . . 55 GLN CA . 27858 1 225 . 1 . 1 55 55 GLN CB C 13 27.763 0.000 . 1 . . . . . 55 GLN CB . 27858 1 226 . 1 . 1 55 55 GLN N N 15 116.904 0.014 . 1 . . . . . 55 GLN N . 27858 1 227 . 1 . 1 56 56 LEU H H 1 7.153 0.001 . 1 . . . . . 56 LEU H . 27858 1 228 . 1 . 1 56 56 LEU C C 13 179.008 0.000 . 1 . . . . . 56 LEU C . 27858 1 229 . 1 . 1 56 56 LEU CA C 13 54.785 0.007 . 1 . . . . . 56 LEU CA . 27858 1 230 . 1 . 1 56 56 LEU CB C 13 42.784 0.000 . 1 . . . . . 56 LEU CB . 27858 1 231 . 1 . 1 56 56 LEU N N 15 113.827 0.009 . 1 . . . . . 56 LEU N . 27858 1 232 . 1 . 1 57 57 GLU H H 1 7.384 0.001 . 1 . . . . . 57 GLU H . 27858 1 233 . 1 . 1 57 57 GLU C C 13 176.825 0.000 . 1 . . . . . 57 GLU C . 27858 1 234 . 1 . 1 57 57 GLU CA C 13 59.088 0.002 . 1 . . . . . 57 GLU CA . 27858 1 235 . 1 . 1 57 57 GLU CB C 13 29.766 0.000 . 1 . . . . . 57 GLU CB . 27858 1 236 . 1 . 1 57 57 GLU N N 15 117.089 0.011 . 1 . . . . . 57 GLU N . 27858 1 237 . 1 . 1 58 58 THR H H 1 6.978 0.001 . 1 . . . . . 58 THR H . 27858 1 238 . 1 . 1 58 58 THR C C 13 175.613 0.000 . 1 . . . . . 58 THR C . 27858 1 239 . 1 . 1 58 58 THR CA C 13 62.094 0.002 . 1 . . . . . 58 THR CA . 27858 1 240 . 1 . 1 58 58 THR CB C 13 69.148 0.000 . 1 . . . . . 58 THR CB . 27858 1 241 . 1 . 1 58 58 THR N N 15 105.947 0.007 . 1 . . . . . 58 THR N . 27858 1 242 . 1 . 1 59 59 GLU H H 1 7.142 0.003 . 1 . . . . . 59 GLU H . 27858 1 243 . 1 . 1 59 59 GLU CA C 13 55.267 0.207 . 1 . . . . . 59 GLU CA . 27858 1 244 . 1 . 1 59 59 GLU CB C 13 29.72 0.000 . 1 . . . . . 59 GLU CB . 27858 1 245 . 1 . 1 59 59 GLU N N 15 115.187 0.012 . 1 . . . . . 59 GLU N . 27858 1 246 . 1 . 1 60 60 PRO C C 13 175.968 0.000 . 1 . . . . . 60 PRO C . 27858 1 247 . 1 . 1 60 60 PRO CA C 13 64.396 0.006 . 1 . . . . . 60 PRO CA . 27858 1 248 . 1 . 1 61 61 ASP H H 1 8.498 0.002 . 1 . . . . . 61 ASP H . 27858 1 249 . 1 . 1 61 61 ASP C C 13 175.23 0.000 . 1 . . . . . 61 ASP C . 27858 1 250 . 1 . 1 61 61 ASP CA C 13 53.446 0.009 . 1 . . . . . 61 ASP CA . 27858 1 251 . 1 . 1 61 61 ASP CB C 13 42.326 0.000 . 1 . . . . . 61 ASP CB . 27858 1 252 . 1 . 1 61 61 ASP N N 15 118.099 0.014 . 1 . . . . . 61 ASP N . 27858 1 253 . 1 . 1 62 62 LEU H H 1 8.24 0.001 . 1 . . . . . 62 LEU H . 27858 1 254 . 1 . 1 62 62 LEU C C 13 174.506 0.000 . 1 . . . . . 62 LEU C . 27858 1 255 . 1 . 1 62 62 LEU CA C 13 53.474 0.008 . 1 . . . . . 62 LEU CA . 27858 1 256 . 1 . 1 62 62 LEU CB C 13 42.404 0.000 . 1 . . . . . 62 LEU CB . 27858 1 257 . 1 . 1 62 62 LEU N N 15 123.522 0.013 . 1 . . . . . 62 LEU N . 27858 1 258 . 1 . 1 63 63 PHE H H 1 7.425 0.003 . 1 . . . . . 63 PHE H . 27858 1 259 . 1 . 1 63 63 PHE C C 13 171.688 0.000 . 1 . . . . . 63 PHE C . 27858 1 260 . 1 . 1 63 63 PHE CA C 13 56.027 0.007 . 1 . . . . . 63 PHE CA . 27858 1 261 . 1 . 1 63 63 PHE CB C 13 42.119 0.000 . 1 . . . . . 63 PHE CB . 27858 1 262 . 1 . 1 63 63 PHE N N 15 120.324 0.010 . 1 . . . . . 63 PHE N . 27858 1 263 . 1 . 1 64 64 ILE H H 1 8.078 0.001 . 1 . . . . . 64 ILE H . 27858 1 264 . 1 . 1 64 64 ILE C C 13 174.234 0.000 . 1 . . . . . 64 ILE C . 27858 1 265 . 1 . 1 64 64 ILE CA C 13 60.327 0.007 . 1 . . . . . 64 ILE CA . 27858 1 266 . 1 . 1 64 64 ILE CB C 13 40.013 0.000 . 1 . . . . . 64 ILE CB . 27858 1 267 . 1 . 1 64 64 ILE N N 15 118.828 0.027 . 1 . . . . . 64 ILE N . 27858 1 268 . 1 . 1 65 65 ARG H H 1 10.089 0.003 . 1 . . . . . 65 ARG H . 27858 1 269 . 1 . 1 65 65 ARG C C 13 174.85 0.000 . 1 . . . . . 65 ARG C . 27858 1 270 . 1 . 1 65 65 ARG CA C 13 54.14 0.005 . 1 . . . . . 65 ARG CA . 27858 1 271 . 1 . 1 65 65 ARG CB C 13 35.101 0.000 . 1 . . . . . 65 ARG CB . 27858 1 272 . 1 . 1 65 65 ARG N N 15 129.312 0.014 . 1 . . . . . 65 ARG N . 27858 1 273 . 1 . 1 66 66 ILE H H 1 9.504 0.006 . 1 . . . . . 66 ILE H . 27858 1 274 . 1 . 1 66 66 ILE C C 13 173.936 0.000 . 1 . . . . . 66 ILE C . 27858 1 275 . 1 . 1 66 66 ILE CA C 13 60.247 0.001 . 1 . . . . . 66 ILE CA . 27858 1 276 . 1 . 1 66 66 ILE CB C 13 39.917 0.000 . 1 . . . . . 66 ILE CB . 27858 1 277 . 1 . 1 66 66 ILE N N 15 131.005 0.023 . 1 . . . . . 66 ILE N . 27858 1 278 . 1 . 1 67 67 THR H H 1 9.152 0.001 . 1 . . . . . 67 THR H . 27858 1 279 . 1 . 1 67 67 THR CA C 13 58.981 0.146 . 1 . . . . . 67 THR CA . 27858 1 280 . 1 . 1 67 67 THR CB C 13 71.31 0.000 . 1 . . . . . 67 THR CB . 27858 1 281 . 1 . 1 67 67 THR N N 15 123.756 0.028 . 1 . . . . . 67 THR N . 27858 1 282 . 1 . 1 68 68 PRO C C 13 176.192 0.000 . 1 . . . . . 68 PRO C . 27858 1 283 . 1 . 1 68 68 PRO CA C 13 61.96 0.002 . 1 . . . . . 68 PRO CA . 27858 1 284 . 1 . 1 69 69 LYS H H 1 9.082 0.002 . 1 . . . . . 69 LYS H . 27858 1 285 . 1 . 1 69 69 LYS CA C 13 53.305 0.168 . 1 . . . . . 69 LYS CA . 27858 1 286 . 1 . 1 69 69 LYS CB C 13 33.804 0.000 . 1 . . . . . 69 LYS CB . 27858 1 287 . 1 . 1 69 69 LYS N N 15 123.052 0.013 . 1 . . . . . 69 LYS N . 27858 1 288 . 1 . 1 70 70 PRO C C 13 179.12 0.000 . 1 . . . . . 70 PRO C . 27858 1 289 . 1 . 1 70 70 PRO CA C 13 65.701 0.001 . 1 . . . . . 70 PRO CA . 27858 1 290 . 1 . 1 70 70 PRO CB C 13 32.308 0.000 . 1 . . . . . 70 PRO CB . 27858 1 291 . 1 . 1 71 71 GLU H H 1 9.382 0.002 . 1 . . . . . 71 GLU H . 27858 1 292 . 1 . 1 71 71 GLU C C 13 177.388 0.000 . 1 . . . . . 71 GLU C . 27858 1 293 . 1 . 1 71 71 GLU CA C 13 58.893 0.001 . 1 . . . . . 71 GLU CA . 27858 1 294 . 1 . 1 71 71 GLU CB C 13 28.596 0.000 . 1 . . . . . 71 GLU CB . 27858 1 295 . 1 . 1 71 71 GLU N N 15 118.912 0.016 . 1 . . . . . 71 GLU N . 27858 1 296 . 1 . 1 72 72 GLN H H 1 7.216 0.001 . 1 . . . . . 72 GLN H . 27858 1 297 . 1 . 1 72 72 GLN C C 13 174.329 0.000 . 1 . . . . . 72 GLN C . 27858 1 298 . 1 . 1 72 72 GLN CA C 13 55.144 0.007 . 1 . . . . . 72 GLN CA . 27858 1 299 . 1 . 1 72 72 GLN CB C 13 30.602 0.000 . 1 . . . . . 72 GLN CB . 27858 1 300 . 1 . 1 72 72 GLN N N 15 116.031 0.004 . 1 . . . . . 72 GLN N . 27858 1 301 . 1 . 1 73 73 LYS H H 1 7.82 0.002 . 1 . . . . . 73 LYS H . 27858 1 302 . 1 . 1 73 73 LYS C C 13 173.594 0.000 . 1 . . . . . 73 LYS C . 27858 1 303 . 1 . 1 73 73 LYS CA C 13 58.147 0.003 . 1 . . . . . 73 LYS CA . 27858 1 304 . 1 . 1 73 73 LYS CB C 13 29.873 0.000 . 1 . . . . . 73 LYS CB . 27858 1 305 . 1 . 1 73 73 LYS N N 15 115.503 0.010 . 1 . . . . . 73 LYS N . 27858 1 306 . 1 . 1 74 74 VAL H H 1 7.108 0.002 . 1 . . . . . 74 VAL H . 27858 1 307 . 1 . 1 74 74 VAL C C 13 173.13 0.000 . 1 . . . . . 74 VAL C . 27858 1 308 . 1 . 1 74 74 VAL CA C 13 58.564 0.012 . 1 . . . . . 74 VAL CA . 27858 1 309 . 1 . 1 74 74 VAL CB C 13 37.026 0.000 . 1 . . . . . 74 VAL CB . 27858 1 310 . 1 . 1 74 74 VAL N N 15 116.951 0.013 . 1 . . . . . 74 VAL N . 27858 1 311 . 1 . 1 75 75 LEU H H 1 8.415 0.001 . 1 . . . . . 75 LEU H . 27858 1 312 . 1 . 1 75 75 LEU C C 13 174.496 0.000 . 1 . . . . . 75 LEU C . 27858 1 313 . 1 . 1 75 75 LEU CA C 13 52.87 0.002 . 1 . . . . . 75 LEU CA . 27858 1 314 . 1 . 1 75 75 LEU CB C 13 46.856 0.000 . 1 . . . . . 75 LEU CB . 27858 1 315 . 1 . 1 75 75 LEU N N 15 126.922 0.010 . 1 . . . . . 75 LEU N . 27858 1 316 . 1 . 1 76 76 GLU H H 1 7.929 0.003 . 1 . . . . . 76 GLU H . 27858 1 317 . 1 . 1 76 76 GLU C C 13 176.077 0.000 . 1 . . . . . 76 GLU C . 27858 1 318 . 1 . 1 76 76 GLU CA C 13 54.029 0.005 . 1 . . . . . 76 GLU CA . 27858 1 319 . 1 . 1 76 76 GLU CB C 13 32.055 0.000 . 1 . . . . . 76 GLU CB . 27858 1 320 . 1 . 1 76 76 GLU N N 15 125.496 0.022 . 1 . . . . . 76 GLU N . 27858 1 321 . 1 . 1 77 77 ILE H H 1 9.013 0.003 . 1 . . . . . 77 ILE H . 27858 1 322 . 1 . 1 77 77 ILE C C 13 174.14 0.000 . 1 . . . . . 77 ILE C . 27858 1 323 . 1 . 1 77 77 ILE CA C 13 60.674 0.004 . 1 . . . . . 77 ILE CA . 27858 1 324 . 1 . 1 77 77 ILE CB C 13 40.501 0.000 . 1 . . . . . 77 ILE CB . 27858 1 325 . 1 . 1 77 77 ILE N N 15 123.245 0.018 . 1 . . . . . 77 ILE N . 27858 1 326 . 1 . 1 78 78 ARG H H 1 9.816 0.006 . 1 . . . . . 78 ARG H . 27858 1 327 . 1 . 1 78 78 ARG C C 13 173.547 0.000 . 1 . . . . . 78 ARG C . 27858 1 328 . 1 . 1 78 78 ARG CA C 13 52.517 0.015 . 1 . . . . . 78 ARG CA . 27858 1 329 . 1 . 1 78 78 ARG CB C 13 33.637 0.000 . 1 . . . . . 78 ARG CB . 27858 1 330 . 1 . 1 78 78 ARG N N 15 131.389 0.034 . 1 . . . . . 78 ARG N . 27858 1 331 . 1 . 1 79 79 ASP H H 1 9.514 0.006 . 1 . . . . . 79 ASP H . 27858 1 332 . 1 . 1 79 79 ASP C C 13 176.569 0.000 . 1 . . . . . 79 ASP C . 27858 1 333 . 1 . 1 79 79 ASP CA C 13 52.237 0.031 . 1 . . . . . 79 ASP CA . 27858 1 334 . 1 . 1 79 79 ASP CB C 13 46.912 0.000 . 1 . . . . . 79 ASP CB . 27858 1 335 . 1 . 1 79 79 ASP N N 15 122.942 0.007 . 1 . . . . . 79 ASP N . 27858 1 336 . 1 . 1 80 80 SER H H 1 7.302 0.002 . 1 . . . . . 80 SER H . 27858 1 337 . 1 . 1 80 80 SER C C 13 173.861 0.000 . 1 . . . . . 80 SER C . 27858 1 338 . 1 . 1 80 80 SER CA C 13 54.389 0.004 . 1 . . . . . 80 SER CA . 27858 1 339 . 1 . 1 80 80 SER CB C 13 62.104 0.000 . 1 . . . . . 80 SER CB . 27858 1 340 . 1 . 1 80 80 SER N N 15 115.592 0.015 . 1 . . . . . 80 SER N . 27858 1 341 . 1 . 1 81 81 GLY H H 1 9.86 0.001 . 1 . . . . . 81 GLY H . 27858 1 342 . 1 . 1 81 81 GLY C C 13 172.252 0.000 . 1 . . . . . 81 GLY C . 27858 1 343 . 1 . 1 81 81 GLY CA C 13 44.323 0.002 . 1 . . . . . 81 GLY CA . 27858 1 344 . 1 . 1 81 81 GLY N N 15 110.436 0.005 . 1 . . . . . 81 GLY N . 27858 1 345 . 1 . 1 82 82 ILE H H 1 6.798 0.001 . 1 . . . . . 82 ILE H . 27858 1 346 . 1 . 1 82 82 ILE C C 13 173.994 0.000 . 1 . . . . . 82 ILE C . 27858 1 347 . 1 . 1 82 82 ILE CA C 13 62.675 0.006 . 1 . . . . . 82 ILE CA . 27858 1 348 . 1 . 1 82 82 ILE CB C 13 40.303 0.000 . 1 . . . . . 82 ILE CB . 27858 1 349 . 1 . 1 82 82 ILE N N 15 116.414 0.013 . 1 . . . . . 82 ILE N . 27858 1 350 . 1 . 1 83 83 GLY H H 1 7.621 0.001 . 1 . . . . . 83 GLY H . 27858 1 351 . 1 . 1 83 83 GLY C C 13 172.087 0.000 . 1 . . . . . 83 GLY C . 27858 1 352 . 1 . 1 83 83 GLY CA C 13 43.551 0.002 . 1 . . . . . 83 GLY CA . 27858 1 353 . 1 . 1 83 83 GLY N N 15 106.737 0.027 . 1 . . . . . 83 GLY N . 27858 1 354 . 1 . 1 84 84 MET H H 1 8.076 0.006 . 1 . . . . . 84 MET H . 27858 1 355 . 1 . 1 84 84 MET C C 13 175.42 0.000 . 1 . . . . . 84 MET C . 27858 1 356 . 1 . 1 84 84 MET CA C 13 54.3 0.001 . 1 . . . . . 84 MET CA . 27858 1 357 . 1 . 1 84 84 MET CB C 13 37.265 0.000 . 1 . . . . . 84 MET CB . 27858 1 358 . 1 . 1 84 84 MET N N 15 118.274 0.024 . 1 . . . . . 84 MET N . 27858 1 359 . 1 . 1 85 85 THR H H 1 8.917 0.001 . 1 . . . . . 85 THR H . 27858 1 360 . 1 . 1 85 85 THR C C 13 173.715 0.000 . 1 . . . . . 85 THR C . 27858 1 361 . 1 . 1 85 85 THR CA C 13 60.235 0.001 . 1 . . . . . 85 THR CA . 27858 1 362 . 1 . 1 85 85 THR CB C 13 70.425 0.000 . 1 . . . . . 85 THR CB . 27858 1 363 . 1 . 1 85 85 THR N N 15 113.994 0.003 . 1 . . . . . 85 THR N . 27858 1 364 . 1 . 1 86 86 LYS H H 1 8.744 0.003 . 1 . . . . . 86 LYS H . 27858 1 365 . 1 . 1 86 86 LYS C C 13 177.67 0.000 . 1 . . . . . 86 LYS C . 27858 1 366 . 1 . 1 86 86 LYS CA C 13 60.987 0.006 . 1 . . . . . 86 LYS CA . 27858 1 367 . 1 . 1 86 86 LYS CB C 13 31.389 0.000 . 1 . . . . . 86 LYS CB . 27858 1 368 . 1 . 1 86 86 LYS N N 15 121.104 0.038 . 1 . . . . . 86 LYS N . 27858 1 369 . 1 . 1 87 87 ALA H H 1 7.95 0.001 . 1 . . . . . 87 ALA H . 27858 1 370 . 1 . 1 87 87 ALA C C 13 180.466 0.000 . 1 . . . . . 87 ALA C . 27858 1 371 . 1 . 1 87 87 ALA CA C 13 54.53 0.005 . 1 . . . . . 87 ALA CA . 27858 1 372 . 1 . 1 87 87 ALA CB C 13 18.271 0.000 . 1 . . . . . 87 ALA CB . 27858 1 373 . 1 . 1 87 87 ALA N N 15 116.835 0.014 . 1 . . . . . 87 ALA N . 27858 1 374 . 1 . 1 88 88 GLU H H 1 7.552 0.003 . 1 . . . . . 88 GLU H . 27858 1 375 . 1 . 1 88 88 GLU C C 13 178.554 0.000 . 1 . . . . . 88 GLU C . 27858 1 376 . 1 . 1 88 88 GLU CA C 13 58.846 0.010 . 1 . . . . . 88 GLU CA . 27858 1 377 . 1 . 1 88 88 GLU CB C 13 30.229 0.000 . 1 . . . . . 88 GLU CB . 27858 1 378 . 1 . 1 88 88 GLU N N 15 118.161 0.019 . 1 . . . . . 88 GLU N . 27858 1 379 . 1 . 1 89 89 LEU H H 1 8.5 0.001 . 1 . . . . . 89 LEU H . 27858 1 380 . 1 . 1 89 89 LEU C C 13 177.866 0.000 . 1 . . . . . 89 LEU C . 27858 1 381 . 1 . 1 89 89 LEU CA C 13 57.987 0.006 . 1 . . . . . 89 LEU CA . 27858 1 382 . 1 . 1 89 89 LEU CB C 13 42.751 0.000 . 1 . . . . . 89 LEU CB . 27858 1 383 . 1 . 1 89 89 LEU N N 15 122.132 0.045 . 1 . . . . . 89 LEU N . 27858 1 384 . 1 . 1 90 90 ILE H H 1 7.388 0.002 . 1 . . . . . 90 ILE H . 27858 1 385 . 1 . 1 90 90 ILE C C 13 178.603 0.000 . 1 . . . . . 90 ILE C . 27858 1 386 . 1 . 1 90 90 ILE CA C 13 65.168 0.011 . 1 . . . . . 90 ILE CA . 27858 1 387 . 1 . 1 90 90 ILE CB C 13 39.503 0.000 . 1 . . . . . 90 ILE CB . 27858 1 388 . 1 . 1 90 90 ILE N N 15 115.747 0.023 . 1 . . . . . 90 ILE N . 27858 1 389 . 1 . 1 91 91 ASN H H 1 8.284 0.003 . 1 . . . . . 91 ASN H . 27858 1 390 . 1 . 1 91 91 ASN CA C 13 55.639 0.162 . 1 . . . . . 91 ASN CA . 27858 1 391 . 1 . 1 91 91 ASN CB C 13 39.29 0.000 . 1 . . . . . 91 ASN CB . 27858 1 392 . 1 . 1 91 91 ASN N N 15 116.691 0.043 . 1 . . . . . 91 ASN N . 27858 1 393 . 1 . 1 92 92 ASN C C 13 176.529 0.000 . 1 . . . . . 92 ASN C . 27858 1 394 . 1 . 1 93 93 LEU H H 1 6.795 0.002 . 1 . . . . . 93 LEU H . 27858 1 395 . 1 . 1 93 93 LEU C C 13 177.894 0.000 . 1 . . . . . 93 LEU C . 27858 1 396 . 1 . 1 93 93 LEU CA C 13 54.232 0.032 . 1 . . . . . 93 LEU CA . 27858 1 397 . 1 . 1 93 93 LEU N N 15 115.708 0.024 . 1 . . . . . 93 LEU N . 27858 1 398 . 1 . 1 94 94 GLY H H 1 7.124 0.007 . 1 . . . . . 94 GLY H . 27858 1 399 . 1 . 1 94 94 GLY CA C 13 46.934 0.000 . 1 . . . . . 94 GLY CA . 27858 1 400 . 1 . 1 94 94 GLY N N 15 104.086 0.039 . 1 . . . . . 94 GLY N . 27858 1 401 . 1 . 1 102 102 LYS C C 13 178.382 0.000 . 1 . . . . . 102 LYS C . 27858 1 402 . 1 . 1 103 103 ALA H H 1 7.839 0.001 . 1 . . . . . 103 ALA H . 27858 1 403 . 1 . 1 103 103 ALA C C 13 180.271 0.000 . 1 . . . . . 103 ALA C . 27858 1 404 . 1 . 1 103 103 ALA CA C 13 54.589 0.021 . 1 . . . . . 103 ALA CA . 27858 1 405 . 1 . 1 103 103 ALA CB C 13 18.325 0.000 . 1 . . . . . 103 ALA CB . 27858 1 406 . 1 . 1 103 103 ALA N N 15 121.17 0.022 . 1 . . . . . 103 ALA N . 27858 1 407 . 1 . 1 104 104 PHE H H 1 8.264 0.001 . 1 . . . . . 104 PHE H . 27858 1 408 . 1 . 1 104 104 PHE C C 13 176.226 0.000 . 1 . . . . . 104 PHE C . 27858 1 409 . 1 . 1 104 104 PHE CA C 13 59.11 0.012 . 1 . . . . . 104 PHE CA . 27858 1 410 . 1 . 1 104 104 PHE CB C 13 41.523 0.000 . 1 . . . . . 104 PHE CB . 27858 1 411 . 1 . 1 104 104 PHE N N 15 120.545 0.020 . 1 . . . . . 104 PHE N . 27858 1 412 . 1 . 1 105 105 MET H H 1 7.925 0.003 . 1 . . . . . 105 MET H . 27858 1 413 . 1 . 1 105 105 MET C C 13 179.244 0.000 . 1 . . . . . 105 MET C . 27858 1 414 . 1 . 1 105 105 MET CA C 13 59.46 0.015 . 1 . . . . . 105 MET CA . 27858 1 415 . 1 . 1 105 105 MET N N 15 117.83 0.023 . 1 . . . . . 105 MET N . 27858 1 416 . 1 . 1 106 106 GLU H H 1 8.044 0.001 . 1 . . . . . 106 GLU H . 27858 1 417 . 1 . 1 106 106 GLU C C 13 179.12 0.000 . 1 . . . . . 106 GLU C . 27858 1 418 . 1 . 1 106 106 GLU CA C 13 58.954 0.006 . 1 . . . . . 106 GLU CA . 27858 1 419 . 1 . 1 106 106 GLU CB C 13 29.072 0.000 . 1 . . . . . 106 GLU CB . 27858 1 420 . 1 . 1 106 106 GLU N N 15 120.003 0.007 . 1 . . . . . 106 GLU N . 27858 1 421 . 1 . 1 107 107 ALA H H 1 7.704 0.001 . 1 . . . . . 107 ALA H . 27858 1 422 . 1 . 1 107 107 ALA C C 13 180.826 0.000 . 1 . . . . . 107 ALA C . 27858 1 423 . 1 . 1 107 107 ALA CA C 13 54.745 0.030 . 1 . . . . . 107 ALA CA . 27858 1 424 . 1 . 1 107 107 ALA CB C 13 17.202 0.000 . 1 . . . . . 107 ALA CB . 27858 1 425 . 1 . 1 107 107 ALA N N 15 124.509 0.010 . 1 . . . . . 107 ALA N . 27858 1 426 . 1 . 1 108 108 LEU H H 1 8.252 0.004 . 1 . . . . . 108 LEU H . 27858 1 427 . 1 . 1 108 108 LEU C C 13 180.952 0.000 . 1 . . . . . 108 LEU C . 27858 1 428 . 1 . 1 108 108 LEU CA C 13 57.367 0.005 . 1 . . . . . 108 LEU CA . 27858 1 429 . 1 . 1 108 108 LEU CB C 13 41.487 0.000 . 1 . . . . . 108 LEU CB . 27858 1 430 . 1 . 1 108 108 LEU N N 15 120.769 0.051 . 1 . . . . . 108 LEU N . 27858 1 431 . 1 . 1 109 109 SER H H 1 7.752 0.001 . 1 . . . . . 109 SER H . 27858 1 432 . 1 . 1 109 109 SER C C 13 174.448 0.000 . 1 . . . . . 109 SER C . 27858 1 433 . 1 . 1 109 109 SER CA C 13 60.928 0.005 . 1 . . . . . 109 SER CA . 27858 1 434 . 1 . 1 109 109 SER CB C 13 62.915 0.000 . 1 . . . . . 109 SER CB . 27858 1 435 . 1 . 1 109 109 SER N N 15 116.134 0.011 . 1 . . . . . 109 SER N . 27858 1 436 . 1 . 1 110 110 ALA H H 1 7.345 0.001 . 1 . . . . . 110 ALA H . 27858 1 437 . 1 . 1 110 110 ALA C C 13 177.44 0.000 . 1 . . . . . 110 ALA C . 27858 1 438 . 1 . 1 110 110 ALA CA C 13 51.505 0.001 . 1 . . . . . 110 ALA CA . 27858 1 439 . 1 . 1 110 110 ALA CB C 13 19.001 0.000 . 1 . . . . . 110 ALA CB . 27858 1 440 . 1 . 1 110 110 ALA N N 15 122.816 0.010 . 1 . . . . . 110 ALA N . 27858 1 441 . 1 . 1 111 111 GLY H H 1 7.625 0.001 . 1 . . . . . 111 GLY H . 27858 1 442 . 1 . 1 111 111 GLY C C 13 174.669 0.000 . 1 . . . . . 111 GLY C . 27858 1 443 . 1 . 1 111 111 GLY CA C 13 45.14 0.007 . 1 . . . . . 111 GLY CA . 27858 1 444 . 1 . 1 111 111 GLY N N 15 106.59 0.007 . 1 . . . . . 111 GLY N . 27858 1 445 . 1 . 1 112 112 ALA H H 1 7.964 0.001 . 1 . . . . . 112 ALA H . 27858 1 446 . 1 . 1 112 112 ALA C C 13 175.187 0.000 . 1 . . . . . 112 ALA C . 27858 1 447 . 1 . 1 112 112 ALA CA C 13 51.995 0.001 . 1 . . . . . 112 ALA CA . 27858 1 448 . 1 . 1 112 112 ALA CB C 13 19.487 0.000 . 1 . . . . . 112 ALA CB . 27858 1 449 . 1 . 1 112 112 ALA N N 15 123.517 0.002 . 1 . . . . . 112 ALA N . 27858 1 450 . 1 . 1 113 113 ASP H H 1 7.958 0.002 . 1 . . . . . 113 ASP H . 27858 1 451 . 1 . 1 113 113 ASP CA C 13 53.39 0.167 . 1 . . . . . 113 ASP CA . 27858 1 452 . 1 . 1 113 113 ASP CB C 13 44.228 0.000 . 1 . . . . . 113 ASP CB . 27858 1 453 . 1 . 1 113 113 ASP N N 15 118.619 0.007 . 1 . . . . . 113 ASP N . 27858 1 454 . 1 . 1 114 114 VAL C C 13 175.405 0.000 . 1 . . . . . 114 VAL C . 27858 1 455 . 1 . 1 115 115 SER H H 1 8.529 0.001 . 1 . . . . . 115 SER H . 27858 1 456 . 1 . 1 115 115 SER C C 13 175.761 0.000 . 1 . . . . . 115 SER C . 27858 1 457 . 1 . 1 115 115 SER CA C 13 60.777 0.003 . 1 . . . . . 115 SER CA . 27858 1 458 . 1 . 1 115 115 SER CB C 13 62.756 0.000 . 1 . . . . . 115 SER CB . 27858 1 459 . 1 . 1 115 115 SER N N 15 114.69 0.036 . 1 . . . . . 115 SER N . 27858 1 460 . 1 . 1 116 116 MET H H 1 7.982 0.003 . 1 . . . . . 116 MET H . 27858 1 461 . 1 . 1 116 116 MET C C 13 176.582 0.000 . 1 . . . . . 116 MET C . 27858 1 462 . 1 . 1 116 116 MET CA C 13 56.082 0.012 . 1 . . . . . 116 MET CA . 27858 1 463 . 1 . 1 116 116 MET CB C 13 32.473 0.000 . 1 . . . . . 116 MET CB . 27858 1 464 . 1 . 1 116 116 MET N N 15 121.567 0.050 . 1 . . . . . 116 MET N . 27858 1 465 . 1 . 1 117 117 ILE H H 1 7.779 0.003 . 1 . . . . . 117 ILE H . 27858 1 466 . 1 . 1 117 117 ILE C C 13 175.477 0.000 . 1 . . . . . 117 ILE C . 27858 1 467 . 1 . 1 117 117 ILE CA C 13 65.067 0.045 . 1 . . . . . 117 ILE CA . 27858 1 468 . 1 . 1 117 117 ILE N N 15 120.058 0.017 . 1 . . . . . 117 ILE N . 27858 1 469 . 1 . 1 118 118 GLY H H 1 8.232 0.001 . 1 . . . . . 118 GLY H . 27858 1 470 . 1 . 1 118 118 GLY C C 13 177.735 0.000 . 1 . . . . . 118 GLY C . 27858 1 471 . 1 . 1 118 118 GLY CA C 13 46.387 0.012 . 1 . . . . . 118 GLY CA . 27858 1 472 . 1 . 1 118 118 GLY N N 15 110.574 0.009 . 1 . . . . . 118 GLY N . 27858 1 473 . 1 . 1 119 119 GLN H H 1 8.02 0.001 . 1 . . . . . 119 GLN H . 27858 1 474 . 1 . 1 119 119 GLN C C 13 176.684 0.000 . 1 . . . . . 119 GLN C . 27858 1 475 . 1 . 1 119 119 GLN CA C 13 57.05 0.002 . 1 . . . . . 119 GLN CA . 27858 1 476 . 1 . 1 119 119 GLN CB C 13 27.825 0.000 . 1 . . . . . 119 GLN CB . 27858 1 477 . 1 . 1 119 119 GLN N N 15 120.764 0.023 . 1 . . . . . 119 GLN N . 27858 1 478 . 1 . 1 120 120 PHE H H 1 7.384 0.005 . 1 . . . . . 120 PHE H . 27858 1 479 . 1 . 1 120 120 PHE C C 13 175.905 0.000 . 1 . . . . . 120 PHE C . 27858 1 480 . 1 . 1 120 120 PHE CA C 13 57.601 0.007 . 1 . . . . . 120 PHE CA . 27858 1 481 . 1 . 1 120 120 PHE CB C 13 40.119 0.000 . 1 . . . . . 120 PHE CB . 27858 1 482 . 1 . 1 120 120 PHE N N 15 116.108 0.041 . 1 . . . . . 120 PHE N . 27858 1 483 . 1 . 1 121 121 GLY H H 1 7.637 0.002 . 1 . . . . . 121 GLY H . 27858 1 484 . 1 . 1 121 121 GLY CA C 13 46.271 0.156 . 1 . . . . . 121 GLY CA . 27858 1 485 . 1 . 1 121 121 GLY N N 15 106.151 0.005 . 1 . . . . . 121 GLY N . 27858 1 486 . 1 . 1 122 122 VAL C C 13 175.515 0.000 . 1 . . . . . 122 VAL C . 27858 1 487 . 1 . 1 123 123 GLY H H 1 8.764 0.002 . 1 . . . . . 123 GLY H . 27858 1 488 . 1 . 1 123 123 GLY C C 13 175.34 0.000 . 1 . . . . . 123 GLY C . 27858 1 489 . 1 . 1 123 123 GLY CA C 13 47.333 0.002 . 1 . . . . . 123 GLY CA . 27858 1 490 . 1 . 1 123 123 GLY N N 15 108.83 0.015 . 1 . . . . . 123 GLY N . 27858 1 491 . 1 . 1 124 124 PHE H H 1 8.936 0.004 . 1 . . . . . 124 PHE H . 27858 1 492 . 1 . 1 124 124 PHE CA C 13 61.197 0.196 . 1 . . . . . 124 PHE CA . 27858 1 493 . 1 . 1 124 124 PHE CB C 13 40.527 0.000 . 1 . . . . . 124 PHE CB . 27858 1 494 . 1 . 1 124 124 PHE N N 15 124.178 0.043 . 1 . . . . . 124 PHE N . 27858 1 495 . 1 . 1 125 125 TYR C C 13 176.511 0.000 . 1 . . . . . 125 TYR C . 27858 1 496 . 1 . 1 126 126 SER H H 1 8.03 0.001 . 1 . . . . . 126 SER H . 27858 1 497 . 1 . 1 126 126 SER C C 13 175.694 0.000 . 1 . . . . . 126 SER C . 27858 1 498 . 1 . 1 126 126 SER CA C 13 61.626 0.020 . 1 . . . . . 126 SER CA . 27858 1 499 . 1 . 1 126 126 SER N N 15 114.374 0.010 . 1 . . . . . 126 SER N . 27858 1 500 . 1 . 1 127 127 LEU H H 1 7.539 0.002 . 1 . . . . . 127 LEU H . 27858 1 501 . 1 . 1 127 127 LEU C C 13 177.305 0.000 . 1 . . . . . 127 LEU C . 27858 1 502 . 1 . 1 127 127 LEU CA C 13 57.883 0.005 . 1 . . . . . 127 LEU CA . 27858 1 503 . 1 . 1 127 127 LEU CB C 13 40.674 0.000 . 1 . . . . . 127 LEU CB . 27858 1 504 . 1 . 1 127 127 LEU N N 15 123.484 0.023 . 1 . . . . . 127 LEU N . 27858 1 505 . 1 . 1 128 128 PHE H H 1 7.424 0.004 . 1 . . . . . 128 PHE H . 27858 1 506 . 1 . 1 128 128 PHE C C 13 175.369 0.000 . 1 . . . . . 128 PHE C . 27858 1 507 . 1 . 1 128 128 PHE CA C 13 60.382 0.027 . 1 . . . . . 128 PHE CA . 27858 1 508 . 1 . 1 128 128 PHE CB C 13 37.496 0.000 . 1 . . . . . 128 PHE CB . 27858 1 509 . 1 . 1 128 128 PHE N N 15 118.542 0.034 . 1 . . . . . 128 PHE N . 27858 1 510 . 1 . 1 129 129 LEU H H 1 8.009 0.005 . 1 . . . . . 129 LEU H . 27858 1 511 . 1 . 1 129 129 LEU C C 13 178.644 0.000 . 1 . . . . . 129 LEU C . 27858 1 512 . 1 . 1 129 129 LEU CA C 13 57.227 0.007 . 1 . . . . . 129 LEU CA . 27858 1 513 . 1 . 1 129 129 LEU CB C 13 43.532 0.000 . 1 . . . . . 129 LEU CB . 27858 1 514 . 1 . 1 129 129 LEU N N 15 118.353 0.019 . 1 . . . . . 129 LEU N . 27858 1 515 . 1 . 1 130 130 VAL H H 1 6.828 0.006 . 1 . . . . . 130 VAL H . 27858 1 516 . 1 . 1 130 130 VAL C C 13 172.721 0.000 . 1 . . . . . 130 VAL C . 27858 1 517 . 1 . 1 130 130 VAL CA C 13 60.082 0.006 . 1 . . . . . 130 VAL CA . 27858 1 518 . 1 . 1 130 130 VAL CB C 13 33.285 0.000 . 1 . . . . . 130 VAL CB . 27858 1 519 . 1 . 1 130 130 VAL N N 15 104.131 0.015 . 1 . . . . . 130 VAL N . 27858 1 520 . 1 . 1 131 131 ALA H H 1 7.648 0.003 . 1 . . . . . 131 ALA H . 27858 1 521 . 1 . 1 131 131 ALA C C 13 175.219 0.000 . 1 . . . . . 131 ALA C . 27858 1 522 . 1 . 1 131 131 ALA CA C 13 50.615 0.008 . 1 . . . . . 131 ALA CA . 27858 1 523 . 1 . 1 131 131 ALA CB C 13 22.204 0.000 . 1 . . . . . 131 ALA CB . 27858 1 524 . 1 . 1 131 131 ALA N N 15 125.041 0.004 . 1 . . . . . 131 ALA N . 27858 1 525 . 1 . 1 132 132 ASP H H 1 8.22 0.004 . 1 . . . . . 132 ASP H . 27858 1 526 . 1 . 1 132 132 ASP C C 13 175.327 0.000 . 1 . . . . . 132 ASP C . 27858 1 527 . 1 . 1 132 132 ASP CA C 13 53.968 0.006 . 1 . . . . . 132 ASP CA . 27858 1 528 . 1 . 1 132 132 ASP CB C 13 42.443 0.000 . 1 . . . . . 132 ASP CB . 27858 1 529 . 1 . 1 132 132 ASP N N 15 118.21 0.020 . 1 . . . . . 132 ASP N . 27858 1 530 . 1 . 1 133 133 ARG H H 1 7.505 0.002 . 1 . . . . . 133 ARG H . 27858 1 531 . 1 . 1 133 133 ARG C C 13 172.78 0.000 . 1 . . . . . 133 ARG C . 27858 1 532 . 1 . 1 133 133 ARG CA C 13 54.712 0.014 . 1 . . . . . 133 ARG CA . 27858 1 533 . 1 . 1 133 133 ARG CB C 13 33.511 0.000 . 1 . . . . . 133 ARG CB . 27858 1 534 . 1 . 1 133 133 ARG N N 15 115.622 0.008 . 1 . . . . . 133 ARG N . 27858 1 535 . 1 . 1 134 134 VAL H H 1 8.669 0.005 . 1 . . . . . 134 VAL H . 27858 1 536 . 1 . 1 134 134 VAL C C 13 173.413 0.000 . 1 . . . . . 134 VAL C . 27858 1 537 . 1 . 1 134 134 VAL CA C 13 58.6 0.209 . 1 . . . . . 134 VAL CA . 27858 1 538 . 1 . 1 134 134 VAL CB C 13 35.19 0.000 . 1 . . . . . 134 VAL CB . 27858 1 539 . 1 . 1 134 134 VAL N N 15 122.425 0.025 . 1 . . . . . 134 VAL N . 27858 1 540 . 1 . 1 135 135 GLN H H 1 8.848 0.001 . 1 . . . . . 135 GLN H . 27858 1 541 . 1 . 1 135 135 GLN C C 13 174.399 0.000 . 1 . . . . . 135 GLN C . 27858 1 542 . 1 . 1 135 135 GLN CA C 13 53.612 0.006 . 1 . . . . . 135 GLN CA . 27858 1 543 . 1 . 1 135 135 GLN CB C 13 31.486 0.000 . 1 . . . . . 135 GLN CB . 27858 1 544 . 1 . 1 135 135 GLN N N 15 123.746 0.017 . 1 . . . . . 135 GLN N . 27858 1 545 . 1 . 1 136 136 VAL H H 1 10.383 0.003 . 1 . . . . . 136 VAL H . 27858 1 546 . 1 . 1 136 136 VAL C C 13 174.119 0.000 . 1 . . . . . 136 VAL C . 27858 1 547 . 1 . 1 136 136 VAL CA C 13 61.325 0.031 . 1 . . . . . 136 VAL CA . 27858 1 548 . 1 . 1 136 136 VAL CB C 13 32.777 0.000 . 1 . . . . . 136 VAL CB . 27858 1 549 . 1 . 1 136 136 VAL N N 15 125.945 0.021 . 1 . . . . . 136 VAL N . 27858 1 550 . 1 . 1 137 137 ILE H H 1 9.58 0.005 . 1 . . . . . 137 ILE H . 27858 1 551 . 1 . 1 137 137 ILE C C 13 175.598 0.000 . 1 . . . . . 137 ILE C . 27858 1 552 . 1 . 1 137 137 ILE CA C 13 59.661 0.002 . 1 . . . . . 137 ILE CA . 27858 1 553 . 1 . 1 137 137 ILE CB C 13 40.076 0.000 . 1 . . . . . 137 ILE CB . 27858 1 554 . 1 . 1 137 137 ILE N N 15 130.853 0.015 . 1 . . . . . 137 ILE N . 27858 1 555 . 1 . 1 138 138 SER H H 1 9.176 0.003 . 1 . . . . . 138 SER H . 27858 1 556 . 1 . 1 138 138 SER C C 13 171.55 0.000 . 1 . . . . . 138 SER C . 27858 1 557 . 1 . 1 138 138 SER CA C 13 56.848 0.003 . 1 . . . . . 138 SER CA . 27858 1 558 . 1 . 1 138 138 SER CB C 13 67.123 0.000 . 1 . . . . . 138 SER CB . 27858 1 559 . 1 . 1 138 138 SER N N 15 119.918 0.015 . 1 . . . . . 138 SER N . 27858 1 560 . 1 . 1 139 139 LYS H H 1 9.296 0.001 . 1 . . . . . 139 LYS H . 27858 1 561 . 1 . 1 139 139 LYS C C 13 173.639 0.000 . 1 . . . . . 139 LYS C . 27858 1 562 . 1 . 1 139 139 LYS CA C 13 53.594 0.008 . 1 . . . . . 139 LYS CA . 27858 1 563 . 1 . 1 139 139 LYS CB C 13 37.087 0.000 . 1 . . . . . 139 LYS CB . 27858 1 564 . 1 . 1 139 139 LYS N N 15 127.783 0.025 . 1 . . . . . 139 LYS N . 27858 1 565 . 1 . 1 140 140 SER H H 1 9.275 0.003 . 1 . . . . . 140 SER H . 27858 1 566 . 1 . 1 140 140 SER C C 13 176.576 0.000 . 1 . . . . . 140 SER C . 27858 1 567 . 1 . 1 140 140 SER CA C 13 54.751 0.009 . 1 . . . . . 140 SER CA . 27858 1 568 . 1 . 1 140 140 SER CB C 13 63.751 0.000 . 1 . . . . . 140 SER CB . 27858 1 569 . 1 . 1 140 140 SER N N 15 123.998 0.023 . 1 . . . . . 140 SER N . 27858 1 570 . 1 . 1 141 141 ASN H H 1 10.338 0.001 . 1 . . . . . 141 ASN H . 27858 1 571 . 1 . 1 141 141 ASN C C 13 176.702 0.000 . 1 . . . . . 141 ASN C . 27858 1 572 . 1 . 1 141 141 ASN CA C 13 54.991 0.042 . 1 . . . . . 141 ASN CA . 27858 1 573 . 1 . 1 141 141 ASN CB C 13 37.237 0.000 . 1 . . . . . 141 ASN CB . 27858 1 574 . 1 . 1 141 141 ASN N N 15 127.089 0.028 . 1 . . . . . 141 ASN N . 27858 1 575 . 1 . 1 142 142 ASP H H 1 8.195 0.001 . 1 . . . . . 142 ASP H . 27858 1 576 . 1 . 1 142 142 ASP C C 13 174.615 0.000 . 1 . . . . . 142 ASP C . 27858 1 577 . 1 . 1 142 142 ASP CA C 13 54.235 0.003 . 1 . . . . . 142 ASP CA . 27858 1 578 . 1 . 1 142 142 ASP CB C 13 42.161 0.000 . 1 . . . . . 142 ASP CB . 27858 1 579 . 1 . 1 142 142 ASP N N 15 116.763 0.018 . 1 . . . . . 142 ASP N . 27858 1 580 . 1 . 1 143 143 ASP H H 1 7.973 0.002 . 1 . . . . . 143 ASP H . 27858 1 581 . 1 . 1 143 143 ASP C C 13 173.933 0.000 . 1 . . . . . 143 ASP C . 27858 1 582 . 1 . 1 143 143 ASP CA C 13 52.996 0.005 . 1 . . . . . 143 ASP CA . 27858 1 583 . 1 . 1 143 143 ASP CB C 13 45.346 0.000 . 1 . . . . . 143 ASP CB . 27858 1 584 . 1 . 1 143 143 ASP N N 15 121.727 0.009 . 1 . . . . . 143 ASP N . 27858 1 585 . 1 . 1 144 144 GLU H H 1 9.084 0.001 . 1 . . . . . 144 GLU H . 27858 1 586 . 1 . 1 144 144 GLU C C 13 173.91 0.000 . 1 . . . . . 144 GLU C . 27858 1 587 . 1 . 1 144 144 GLU CA C 13 54.154 0.006 . 1 . . . . . 144 GLU CA . 27858 1 588 . 1 . 1 144 144 GLU CB C 13 31.273 0.000 . 1 . . . . . 144 GLU CB . 27858 1 589 . 1 . 1 144 144 GLU N N 15 116.956 0.018 . 1 . . . . . 144 GLU N . 27858 1 590 . 1 . 1 145 145 GLN H H 1 8.359 0.003 . 1 . . . . . 145 GLN H . 27858 1 591 . 1 . 1 145 145 GLN C C 13 175.536 0.000 . 1 . . . . . 145 GLN C . 27858 1 592 . 1 . 1 145 145 GLN CA C 13 56.364 0.165 . 1 . . . . . 145 GLN CA . 27858 1 593 . 1 . 1 145 145 GLN CB C 13 30.538 0.000 . 1 . . . . . 145 GLN CB . 27858 1 594 . 1 . 1 145 145 GLN N N 15 120.218 0.039 . 1 . . . . . 145 GLN N . 27858 1 595 . 1 . 1 146 146 TYR H H 1 8.617 0.001 . 1 . . . . . 146 TYR H . 27858 1 596 . 1 . 1 146 146 TYR C C 13 173.716 0.000 . 1 . . . . . 146 TYR C . 27858 1 597 . 1 . 1 146 146 TYR CA C 13 58.474 0.001 . 1 . . . . . 146 TYR CA . 27858 1 598 . 1 . 1 146 146 TYR CB C 13 45.668 0.000 . 1 . . . . . 146 TYR CB . 27858 1 599 . 1 . 1 146 146 TYR N N 15 125.911 0.019 . 1 . . . . . 146 TYR N . 27858 1 600 . 1 . 1 147 147 ILE H H 1 9.155 0.002 . 1 . . . . . 147 ILE H . 27858 1 601 . 1 . 1 147 147 ILE CA C 13 59.964 0.010 . 1 . . . . . 147 ILE CA . 27858 1 602 . 1 . 1 147 147 ILE CB C 13 42.28 0.000 . 1 . . . . . 147 ILE CB . 27858 1 603 . 1 . 1 147 147 ILE N N 15 116.557 0.013 . 1 . . . . . 147 ILE N . 27858 1 604 . 1 . 1 148 148 TRP H H 1 10.315 0.004 . 1 . . . . . 148 TRP H . 27858 1 605 . 1 . 1 148 148 TRP C C 13 175.468 0.000 . 1 . . . . . 148 TRP C . 27858 1 606 . 1 . 1 148 148 TRP CA C 13 55.552 0.002 . 1 . . . . . 148 TRP CA . 27858 1 607 . 1 . 1 148 148 TRP N N 15 135.356 0.043 . 1 . . . . . 148 TRP N . 27858 1 608 . 1 . 1 149 149 GLU H H 1 9.01 0.002 . 1 . . . . . 149 GLU H . 27858 1 609 . 1 . 1 149 149 GLU C C 13 174.106 0.000 . 1 . . . . . 149 GLU C . 27858 1 610 . 1 . 1 149 149 GLU CA C 13 55.012 0.002 . 1 . . . . . 149 GLU CA . 27858 1 611 . 1 . 1 149 149 GLU CB C 13 33.509 0.000 . 1 . . . . . 149 GLU CB . 27858 1 612 . 1 . 1 149 149 GLU N N 15 129.337 0.024 . 1 . . . . . 149 GLU N . 27858 1 613 . 1 . 1 150 150 SER H H 1 8.157 0.003 . 1 . . . . . 150 SER H . 27858 1 614 . 1 . 1 150 150 SER C C 13 173.279 0.000 . 1 . . . . . 150 SER C . 27858 1 615 . 1 . 1 150 150 SER CA C 13 57.537 0.004 . 1 . . . . . 150 SER CA . 27858 1 616 . 1 . 1 150 150 SER CB C 13 67.882 0.000 . 1 . . . . . 150 SER CB . 27858 1 617 . 1 . 1 150 150 SER N N 15 116.451 0.029 . 1 . . . . . 150 SER N . 27858 1 618 . 1 . 1 151 151 ASN H H 1 8.516 0.006 . 1 . . . . . 151 ASN H . 27858 1 619 . 1 . 1 151 151 ASN C C 13 174.834 0.000 . 1 . . . . . 151 ASN C . 27858 1 620 . 1 . 1 151 151 ASN CA C 13 52.155 0.022 . 1 . . . . . 151 ASN CA . 27858 1 621 . 1 . 1 151 151 ASN CB C 13 39.076 0.000 . 1 . . . . . 151 ASN CB . 27858 1 622 . 1 . 1 151 151 ASN N N 15 125.615 0.060 . 1 . . . . . 151 ASN N . 27858 1 623 . 1 . 1 152 152 ALA H H 1 8.574 0.001 . 1 . . . . . 152 ALA H . 27858 1 624 . 1 . 1 152 152 ALA C C 13 176.443 0.000 . 1 . . . . . 152 ALA C . 27858 1 625 . 1 . 1 152 152 ALA CA C 13 53.413 0.002 . 1 . . . . . 152 ALA CA . 27858 1 626 . 1 . 1 152 152 ALA CB C 13 16.901 0.000 . 1 . . . . . 152 ALA CB . 27858 1 627 . 1 . 1 152 152 ALA N N 15 118.04 0.015 . 1 . . . . . 152 ALA N . 27858 1 628 . 1 . 1 153 153 GLY H H 1 8.078 0.001 . 1 . . . . . 153 GLY H . 27858 1 629 . 1 . 1 153 153 GLY C C 13 175.181 0.000 . 1 . . . . . 153 GLY C . 27858 1 630 . 1 . 1 153 153 GLY CA C 13 44.967 0.017 . 1 . . . . . 153 GLY CA . 27858 1 631 . 1 . 1 153 153 GLY N N 15 106.845 0.010 . 1 . . . . . 153 GLY N . 27858 1 632 . 1 . 1 154 154 GLY H H 1 8.333 0.003 . 1 . . . . . 154 GLY H . 27858 1 633 . 1 . 1 154 154 GLY C C 13 174.238 0.000 . 1 . . . . . 154 GLY C . 27858 1 634 . 1 . 1 154 154 GLY CA C 13 46.175 0.007 . 1 . . . . . 154 GLY CA . 27858 1 635 . 1 . 1 154 154 GLY N N 15 106.468 0.022 . 1 . . . . . 154 GLY N . 27858 1 636 . 1 . 1 155 155 SER H H 1 7.887 0.002 . 1 . . . . . 155 SER H . 27858 1 637 . 1 . 1 155 155 SER C C 13 172.089 0.000 . 1 . . . . . 155 SER C . 27858 1 638 . 1 . 1 155 155 SER CA C 13 56.526 0.003 . 1 . . . . . 155 SER CA . 27858 1 639 . 1 . 1 155 155 SER CB C 13 66.89 0.000 . 1 . . . . . 155 SER CB . 27858 1 640 . 1 . 1 155 155 SER N N 15 115.042 0.016 . 1 . . . . . 155 SER N . 27858 1 641 . 1 . 1 156 156 PHE H H 1 8.706 0.004 . 1 . . . . . 156 PHE H . 27858 1 642 . 1 . 1 156 156 PHE C C 13 172.674 0.000 . 1 . . . . . 156 PHE C . 27858 1 643 . 1 . 1 156 156 PHE CA C 13 54.9 0.007 . 1 . . . . . 156 PHE CA . 27858 1 644 . 1 . 1 156 156 PHE CB C 13 41.319 0.000 . 1 . . . . . 156 PHE CB . 27858 1 645 . 1 . 1 156 156 PHE N N 15 119.569 0.007 . 1 . . . . . 156 PHE N . 27858 1 646 . 1 . 1 157 157 THR H H 1 8.539 0.001 . 1 . . . . . 157 THR H . 27858 1 647 . 1 . 1 157 157 THR C C 13 174.671 0.000 . 1 . . . . . 157 THR C . 27858 1 648 . 1 . 1 157 157 THR CA C 13 58.808 0.016 . 1 . . . . . 157 THR CA . 27858 1 649 . 1 . 1 157 157 THR CB C 13 72.876 0.000 . 1 . . . . . 157 THR CB . 27858 1 650 . 1 . 1 157 157 THR N N 15 110.214 0.020 . 1 . . . . . 157 THR N . 27858 1 651 . 1 . 1 158 158 VAL H H 1 8.972 0.004 . 1 . . . . . 158 VAL H . 27858 1 652 . 1 . 1 158 158 VAL C C 13 176.045 0.000 . 1 . . . . . 158 VAL C . 27858 1 653 . 1 . 1 158 158 VAL CA C 13 61.646 0.212 . 1 . . . . . 158 VAL CA . 27858 1 654 . 1 . 1 158 158 VAL CB C 13 35.36 0.000 . 1 . . . . . 158 VAL CB . 27858 1 655 . 1 . 1 158 158 VAL N N 15 120.894 0.026 . 1 . . . . . 158 VAL N . 27858 1 656 . 1 . 1 159 159 THR H H 1 9.212 0.004 . 1 . . . . . 159 THR H . 27858 1 657 . 1 . 1 159 159 THR C C 13 173.265 0.000 . 1 . . . . . 159 THR C . 27858 1 658 . 1 . 1 159 159 THR CA C 13 61.29 0.038 . 1 . . . . . 159 THR CA . 27858 1 659 . 1 . 1 159 159 THR CB C 13 72.514 0.000 . 1 . . . . . 159 THR CB . 27858 1 660 . 1 . 1 159 159 THR N N 15 124.928 0.016 . 1 . . . . . 159 THR N . 27858 1 661 . 1 . 1 160 160 LEU H H 1 8.984 0.001 . 1 . . . . . 160 LEU H . 27858 1 662 . 1 . 1 160 160 LEU C C 13 176.405 0.000 . 1 . . . . . 160 LEU C . 27858 1 663 . 1 . 1 160 160 LEU CA C 13 56.678 0.012 . 1 . . . . . 160 LEU CA . 27858 1 664 . 1 . 1 160 160 LEU CB C 13 42.19 0.000 . 1 . . . . . 160 LEU CB . 27858 1 665 . 1 . 1 160 160 LEU N N 15 131.57 0.008 . 1 . . . . . 160 LEU N . 27858 1 666 . 1 . 1 161 161 ASP H H 1 8.414 0.003 . 1 . . . . . 161 ASP H . 27858 1 667 . 1 . 1 161 161 ASP C C 13 177.018 0.000 . 1 . . . . . 161 ASP C . 27858 1 668 . 1 . 1 161 161 ASP CA C 13 54.146 0.006 . 1 . . . . . 161 ASP CA . 27858 1 669 . 1 . 1 161 161 ASP CB C 13 42.516 0.000 . 1 . . . . . 161 ASP CB . 27858 1 670 . 1 . 1 161 161 ASP N N 15 127.15 0.022 . 1 . . . . . 161 ASP N . 27858 1 671 . 1 . 1 162 162 GLU H H 1 8.724 0.003 . 1 . . . . . 162 GLU H . 27858 1 672 . 1 . 1 162 162 GLU C C 13 176.198 0.000 . 1 . . . . . 162 GLU C . 27858 1 673 . 1 . 1 162 162 GLU CA C 13 54.993 0.003 . 1 . . . . . 162 GLU CA . 27858 1 674 . 1 . 1 162 162 GLU CB C 13 30.971 0.000 . 1 . . . . . 162 GLU CB . 27858 1 675 . 1 . 1 162 162 GLU N N 15 128.538 0.011 . 1 . . . . . 162 GLU N . 27858 1 676 . 1 . 1 163 163 VAL H H 1 8.602 0.001 . 1 . . . . . 163 VAL H . 27858 1 677 . 1 . 1 163 163 VAL C C 13 176.023 0.000 . 1 . . . . . 163 VAL C . 27858 1 678 . 1 . 1 163 163 VAL CA C 13 62.376 0.009 . 1 . . . . . 163 VAL CA . 27858 1 679 . 1 . 1 163 163 VAL CB C 13 35.1 0.000 . 1 . . . . . 163 VAL CB . 27858 1 680 . 1 . 1 163 163 VAL N N 15 115.517 0.010 . 1 . . . . . 163 VAL N . 27858 1 681 . 1 . 1 164 164 ASN H H 1 9.808 0.002 . 1 . . . . . 164 ASN H . 27858 1 682 . 1 . 1 164 164 ASN C C 13 175.909 0.000 . 1 . . . . . 164 ASN C . 27858 1 683 . 1 . 1 164 164 ASN CA C 13 53.879 0.003 . 1 . . . . . 164 ASN CA . 27858 1 684 . 1 . 1 164 164 ASN CB C 13 39.481 0.000 . 1 . . . . . 164 ASN CB . 27858 1 685 . 1 . 1 164 164 ASN N N 15 121.752 0.010 . 1 . . . . . 164 ASN N . 27858 1 686 . 1 . 1 165 165 GLU H H 1 8.772 0.001 . 1 . . . . . 165 GLU H . 27858 1 687 . 1 . 1 165 165 GLU C C 13 175.358 0.000 . 1 . . . . . 165 GLU C . 27858 1 688 . 1 . 1 165 165 GLU CA C 13 56.39 0.006 . 1 . . . . . 165 GLU CA . 27858 1 689 . 1 . 1 165 165 GLU CB C 13 29.686 0.000 . 1 . . . . . 165 GLU CB . 27858 1 690 . 1 . 1 165 165 GLU N N 15 120.999 0.010 . 1 . . . . . 165 GLU N . 27858 1 691 . 1 . 1 166 166 ARG H H 1 8.561 0.001 . 1 . . . . . 166 ARG H . 27858 1 692 . 1 . 1 166 166 ARG C C 13 177.604 0.000 . 1 . . . . . 166 ARG C . 27858 1 693 . 1 . 1 166 166 ARG CA C 13 54.755 0.167 . 1 . . . . . 166 ARG CA . 27858 1 694 . 1 . 1 166 166 ARG CB C 13 30.491 0.000 . 1 . . . . . 166 ARG CB . 27858 1 695 . 1 . 1 166 166 ARG N N 15 121.628 0.017 . 1 . . . . . 166 ARG N . 27858 1 696 . 1 . 1 167 167 ILE H H 1 8.449 0.002 . 1 . . . . . 167 ILE H . 27858 1 697 . 1 . 1 167 167 ILE C C 13 176.096 0.000 . 1 . . . . . 167 ILE C . 27858 1 698 . 1 . 1 167 167 ILE N N 15 123.513 0.002 . 1 . . . . . 167 ILE N . 27858 1 699 . 1 . 1 168 168 GLY H H 1 8.351 0.002 . 1 . . . . . 168 GLY H . 27858 1 700 . 1 . 1 168 168 GLY CA C 13 47.654 0.113 . 1 . . . . . 168 GLY CA . 27858 1 701 . 1 . 1 168 168 GLY N N 15 114.79 0.031 . 1 . . . . . 168 GLY N . 27858 1 702 . 1 . 1 169 169 ARG C C 13 174.004 0.000 . 1 . . . . . 169 ARG C . 27858 1 703 . 1 . 1 170 170 GLY H H 1 9.268 0.003 . 1 . . . . . 170 GLY H . 27858 1 704 . 1 . 1 170 170 GLY C C 13 171.785 0.000 . 1 . . . . . 170 GLY C . 27858 1 705 . 1 . 1 170 170 GLY CA C 13 43.394 0.011 . 1 . . . . . 170 GLY CA . 27858 1 706 . 1 . 1 170 170 GLY N N 15 116.777 0.020 . 1 . . . . . 170 GLY N . 27858 1 707 . 1 . 1 171 171 THR H H 1 7.772 0.003 . 1 . . . . . 171 THR H . 27858 1 708 . 1 . 1 171 171 THR C C 13 173.069 0.000 . 1 . . . . . 171 THR C . 27858 1 709 . 1 . 1 171 171 THR CA C 13 61.496 0.016 . 1 . . . . . 171 THR CA . 27858 1 710 . 1 . 1 171 171 THR CB C 13 73.007 0.000 . 1 . . . . . 171 THR CB . 27858 1 711 . 1 . 1 171 171 THR N N 15 116.604 0.013 . 1 . . . . . 171 THR N . 27858 1 712 . 1 . 1 172 172 ILE H H 1 9.934 0.003 . 1 . . . . . 172 ILE H . 27858 1 713 . 1 . 1 172 172 ILE C C 13 174.415 0.000 . 1 . . . . . 172 ILE C . 27858 1 714 . 1 . 1 172 172 ILE CA C 13 61.185 0.049 . 1 . . . . . 172 ILE CA . 27858 1 715 . 1 . 1 172 172 ILE CB C 13 41.813 0.000 . 1 . . . . . 172 ILE CB . 27858 1 716 . 1 . 1 172 172 ILE N N 15 125.622 0.013 . 1 . . . . . 172 ILE N . 27858 1 717 . 1 . 1 173 173 LEU H H 1 9.112 0.001 . 1 . . . . . 173 LEU H . 27858 1 718 . 1 . 1 173 173 LEU C C 13 174.89 0.000 . 1 . . . . . 173 LEU C . 27858 1 719 . 1 . 1 173 173 LEU CA C 13 53.768 0.002 . 1 . . . . . 173 LEU CA . 27858 1 720 . 1 . 1 173 173 LEU CB C 13 42.96 0.000 . 1 . . . . . 173 LEU CB . 27858 1 721 . 1 . 1 173 173 LEU N N 15 128.904 0.022 . 1 . . . . . 173 LEU N . 27858 1 722 . 1 . 1 174 174 ARG H H 1 9.61 0.004 . 1 . . . . . 174 ARG H . 27858 1 723 . 1 . 1 174 174 ARG C C 13 172.915 0.000 . 1 . . . . . 174 ARG C . 27858 1 724 . 1 . 1 174 174 ARG CA C 13 55.136 0.017 . 1 . . . . . 174 ARG CA . 27858 1 725 . 1 . 1 174 174 ARG CB C 13 31.834 0.000 . 1 . . . . . 174 ARG CB . 27858 1 726 . 1 . 1 174 174 ARG N N 15 125.568 0.024 . 1 . . . . . 174 ARG N . 27858 1 727 . 1 . 1 175 175 LEU H H 1 8.724 0.003 . 1 . . . . . 175 LEU H . 27858 1 728 . 1 . 1 175 175 LEU C C 13 174.743 0.000 . 1 . . . . . 175 LEU C . 27858 1 729 . 1 . 1 175 175 LEU CA C 13 54.454 0.006 . 1 . . . . . 175 LEU CA . 27858 1 730 . 1 . 1 175 175 LEU CB C 13 42.862 0.000 . 1 . . . . . 175 LEU CB . 27858 1 731 . 1 . 1 175 175 LEU N N 15 126.11 0.014 . 1 . . . . . 175 LEU N . 27858 1 732 . 1 . 1 176 176 PHE H H 1 8.073 0.006 . 1 . . . . . 176 PHE H . 27858 1 733 . 1 . 1 176 176 PHE C C 13 175.073 0.000 . 1 . . . . . 176 PHE C . 27858 1 734 . 1 . 1 176 176 PHE CA C 13 57.006 0.012 . 1 . . . . . 176 PHE CA . 27858 1 735 . 1 . 1 176 176 PHE CB C 13 42.766 0.000 . 1 . . . . . 176 PHE CB . 27858 1 736 . 1 . 1 176 176 PHE N N 15 124.249 0.011 . 1 . . . . . 176 PHE N . 27858 1 737 . 1 . 1 177 177 LEU H H 1 7.718 0.007 . 1 . . . . . 177 LEU H . 27858 1 738 . 1 . 1 177 177 LEU C C 13 177.513 0.000 . 1 . . . . . 177 LEU C . 27858 1 739 . 1 . 1 177 177 LEU CA C 13 55.359 0.008 . 1 . . . . . 177 LEU CA . 27858 1 740 . 1 . 1 177 177 LEU CB C 13 42.925 0.000 . 1 . . . . . 177 LEU CB . 27858 1 741 . 1 . 1 177 177 LEU N N 15 122.445 0.015 . 1 . . . . . 177 LEU N . 27858 1 742 . 1 . 1 178 178 LYS H H 1 8.384 0.002 . 1 . . . . . 178 LYS H . 27858 1 743 . 1 . 1 178 178 LYS C C 13 178.052 0.000 . 1 . . . . . 178 LYS C . 27858 1 744 . 1 . 1 178 178 LYS CA C 13 56.194 0.007 . 1 . . . . . 178 LYS CA . 27858 1 745 . 1 . 1 178 178 LYS CB C 13 34.985 0.000 . 1 . . . . . 178 LYS CB . 27858 1 746 . 1 . 1 178 178 LYS N N 15 120.485 0.010 . 1 . . . . . 178 LYS N . 27858 1 747 . 1 . 1 179 179 ASP H H 1 8.593 0.002 . 1 . . . . . 179 ASP H . 27858 1 748 . 1 . 1 179 179 ASP C C 13 176.849 0.000 . 1 . . . . . 179 ASP C . 27858 1 749 . 1 . 1 179 179 ASP CA C 13 57.004 0.012 . 1 . . . . . 179 ASP CA . 27858 1 750 . 1 . 1 179 179 ASP CB C 13 40.807 0.000 . 1 . . . . . 179 ASP CB . 27858 1 751 . 1 . 1 179 179 ASP N N 15 119.473 0.006 . 1 . . . . . 179 ASP N . 27858 1 752 . 1 . 1 180 180 ASP H H 1 8.383 0.001 . 1 . . . . . 180 ASP H . 27858 1 753 . 1 . 1 180 180 ASP C C 13 177.086 0.000 . 1 . . . . . 180 ASP C . 27858 1 754 . 1 . 1 180 180 ASP CA C 13 53.016 0.007 . 1 . . . . . 180 ASP CA . 27858 1 755 . 1 . 1 180 180 ASP CB C 13 39.706 0.000 . 1 . . . . . 180 ASP CB . 27858 1 756 . 1 . 1 180 180 ASP N N 15 114.49 0.025 . 1 . . . . . 180 ASP N . 27858 1 757 . 1 . 1 181 181 GLN H H 1 7.937 0.002 . 1 . . . . . 181 GLN H . 27858 1 758 . 1 . 1 181 181 GLN C C 13 175.483 0.000 . 1 . . . . . 181 GLN C . 27858 1 759 . 1 . 1 181 181 GLN CA C 13 53.681 0.004 . 1 . . . . . 181 GLN CA . 27858 1 760 . 1 . 1 181 181 GLN CB C 13 28.117 0.000 . 1 . . . . . 181 GLN CB . 27858 1 761 . 1 . 1 181 181 GLN N N 15 120.086 0.012 . 1 . . . . . 181 GLN N . 27858 1 762 . 1 . 1 182 182 LEU H H 1 7.666 0.001 . 1 . . . . . 182 LEU H . 27858 1 763 . 1 . 1 182 182 LEU C C 13 179.631 0.000 . 1 . . . . . 182 LEU C . 27858 1 764 . 1 . 1 182 182 LEU CA C 13 56.109 0.002 . 1 . . . . . 182 LEU CA . 27858 1 765 . 1 . 1 182 182 LEU CB C 13 39.174 0.000 . 1 . . . . . 182 LEU CB . 27858 1 766 . 1 . 1 182 182 LEU N N 15 115.536 0.008 . 1 . . . . . 182 LEU N . 27858 1 767 . 1 . 1 183 183 GLU H H 1 8.655 0.002 . 1 . . . . . 183 GLU H . 27858 1 768 . 1 . 1 183 183 GLU C C 13 176.391 0.000 . 1 . . . . . 183 GLU C . 27858 1 769 . 1 . 1 183 183 GLU CA C 13 58.017 0.002 . 1 . . . . . 183 GLU CA . 27858 1 770 . 1 . 1 183 183 GLU CB C 13 28.84 0.000 . 1 . . . . . 183 GLU CB . 27858 1 771 . 1 . 1 183 183 GLU N N 15 121.385 0.018 . 1 . . . . . 183 GLU N . 27858 1 772 . 1 . 1 184 184 TYR H H 1 6.663 0.003 . 1 . . . . . 184 TYR H . 27858 1 773 . 1 . 1 184 184 TYR C C 13 171.63 0.000 . 1 . . . . . 184 TYR C . 27858 1 774 . 1 . 1 184 184 TYR CA C 13 60.155 0.002 . 1 . . . . . 184 TYR CA . 27858 1 775 . 1 . 1 184 184 TYR CB C 13 37.204 0.000 . 1 . . . . . 184 TYR CB . 27858 1 776 . 1 . 1 184 184 TYR N N 15 114.892 0.012 . 1 . . . . . 184 TYR N . 27858 1 777 . 1 . 1 185 185 LEU H H 1 7.27 0.001 . 1 . . . . . 185 LEU H . 27858 1 778 . 1 . 1 185 185 LEU C C 13 176.793 0.000 . 1 . . . . . 185 LEU C . 27858 1 779 . 1 . 1 185 185 LEU CA C 13 53.63 0.002 . 1 . . . . . 185 LEU CA . 27858 1 780 . 1 . 1 185 185 LEU CB C 13 42.565 0.000 . 1 . . . . . 185 LEU CB . 27858 1 781 . 1 . 1 185 185 LEU N N 15 111.439 0.019 . 1 . . . . . 185 LEU N . 27858 1 782 . 1 . 1 186 186 GLU H H 1 7.406 0.002 . 1 . . . . . 186 GLU H . 27858 1 783 . 1 . 1 186 186 GLU C C 13 176.71 0.000 . 1 . . . . . 186 GLU C . 27858 1 784 . 1 . 1 186 186 GLU CA C 13 55.292 0.008 . 1 . . . . . 186 GLU CA . 27858 1 785 . 1 . 1 186 186 GLU CB C 13 30.313 0.000 . 1 . . . . . 186 GLU CB . 27858 1 786 . 1 . 1 186 186 GLU N N 15 118.039 0.017 . 1 . . . . . 186 GLU N . 27858 1 787 . 1 . 1 187 187 GLU H H 1 8.96 0.001 . 1 . . . . . 187 GLU H . 27858 1 788 . 1 . 1 187 187 GLU C C 13 177.18 0.000 . 1 . . . . . 187 GLU C . 27858 1 789 . 1 . 1 187 187 GLU CA C 13 60.246 0.005 . 1 . . . . . 187 GLU CA . 27858 1 790 . 1 . 1 187 187 GLU CB C 13 30.14 0.000 . 1 . . . . . 187 GLU CB . 27858 1 791 . 1 . 1 187 187 GLU N N 15 127.126 0.009 . 1 . . . . . 187 GLU N . 27858 1 792 . 1 . 1 188 188 LYS H H 1 8.819 0.001 . 1 . . . . . 188 LYS H . 27858 1 793 . 1 . 1 188 188 LYS C C 13 178.599 0.000 . 1 . . . . . 188 LYS C . 27858 1 794 . 1 . 1 188 188 LYS CA C 13 59.692 0.001 . 1 . . . . . 188 LYS CA . 27858 1 795 . 1 . 1 188 188 LYS CB C 13 32.288 0.000 . 1 . . . . . 188 LYS CB . 27858 1 796 . 1 . 1 188 188 LYS N N 15 116.788 0.005 . 1 . . . . . 188 LYS N . 27858 1 797 . 1 . 1 189 189 ARG H H 1 6.833 0.003 . 1 . . . . . 189 ARG H . 27858 1 798 . 1 . 1 189 189 ARG C C 13 177.969 0.000 . 1 . . . . . 189 ARG C . 27858 1 799 . 1 . 1 189 189 ARG CA C 13 56.874 0.005 . 1 . . . . . 189 ARG CA . 27858 1 800 . 1 . 1 189 189 ARG CB C 13 30.409 0.000 . 1 . . . . . 189 ARG CB . 27858 1 801 . 1 . 1 189 189 ARG N N 15 119.95 0.006 . 1 . . . . . 189 ARG N . 27858 1 802 . 1 . 1 190 190 ILE H H 1 8.152 0.005 . 1 . . . . . 190 ILE H . 27858 1 803 . 1 . 1 190 190 ILE C C 13 178.06 0.000 . 1 . . . . . 190 ILE C . 27858 1 804 . 1 . 1 190 190 ILE CA C 13 65.517 0.003 . 1 . . . . . 190 ILE CA . 27858 1 805 . 1 . 1 190 190 ILE CB C 13 38.13 0.000 . 1 . . . . . 190 ILE CB . 27858 1 806 . 1 . 1 190 190 ILE N N 15 118.863 0.030 . 1 . . . . . 190 ILE N . 27858 1 807 . 1 . 1 191 191 LYS H H 1 8.389 0.001 . 1 . . . . . 191 LYS H . 27858 1 808 . 1 . 1 191 191 LYS C C 13 179.086 0.000 . 1 . . . . . 191 LYS C . 27858 1 809 . 1 . 1 191 191 LYS CA C 13 60.372 0.003 . 1 . . . . . 191 LYS CA . 27858 1 810 . 1 . 1 191 191 LYS CB C 13 32.568 0.000 . 1 . . . . . 191 LYS CB . 27858 1 811 . 1 . 1 191 191 LYS N N 15 117.301 0.017 . 1 . . . . . 191 LYS N . 27858 1 812 . 1 . 1 192 192 GLU H H 1 7.632 0.001 . 1 . . . . . 192 GLU H . 27858 1 813 . 1 . 1 192 192 GLU C C 13 178.633 0.000 . 1 . . . . . 192 GLU C . 27858 1 814 . 1 . 1 192 192 GLU CA C 13 58.935 0.006 . 1 . . . . . 192 GLU CA . 27858 1 815 . 1 . 1 192 192 GLU CB C 13 29.691 0.000 . 1 . . . . . 192 GLU CB . 27858 1 816 . 1 . 1 192 192 GLU N N 15 119.917 0.016 . 1 . . . . . 192 GLU N . 27858 1 817 . 1 . 1 193 193 VAL H H 1 7.927 0.002 . 1 . . . . . 193 VAL H . 27858 1 818 . 1 . 1 193 193 VAL C C 13 178.772 0.000 . 1 . . . . . 193 VAL C . 27858 1 819 . 1 . 1 193 193 VAL CA C 13 66.652 0.004 . 1 . . . . . 193 VAL CA . 27858 1 820 . 1 . 1 193 193 VAL CB C 13 31.918 0.000 . 1 . . . . . 193 VAL CB . 27858 1 821 . 1 . 1 193 193 VAL N N 15 120.882 0.021 . 1 . . . . . 193 VAL N . 27858 1 822 . 1 . 1 194 194 ILE H H 1 8.291 0.001 . 1 . . . . . 194 ILE H . 27858 1 823 . 1 . 1 194 194 ILE C C 13 178.164 0.000 . 1 . . . . . 194 ILE C . 27858 1 824 . 1 . 1 194 194 ILE CA C 13 65.335 0.005 . 1 . . . . . 194 ILE CA . 27858 1 825 . 1 . 1 194 194 ILE CB C 13 38.204 0.000 . 1 . . . . . 194 ILE CB . 27858 1 826 . 1 . 1 194 194 ILE N N 15 120.151 0.032 . 1 . . . . . 194 ILE N . 27858 1 827 . 1 . 1 195 195 LYS H H 1 7.909 0.003 . 1 . . . . . 195 LYS H . 27858 1 828 . 1 . 1 195 195 LYS C C 13 177.982 0.000 . 1 . . . . . 195 LYS C . 27858 1 829 . 1 . 1 195 195 LYS CA C 13 58.682 0.179 . 1 . . . . . 195 LYS CA . 27858 1 830 . 1 . 1 195 195 LYS CB C 13 32.331 0.000 . 1 . . . . . 195 LYS CB . 27858 1 831 . 1 . 1 195 195 LYS N N 15 120.043 0.008 . 1 . . . . . 195 LYS N . 27858 1 832 . 1 . 1 196 196 ARG H H 1 7.514 0.002 . 1 . . . . . 196 ARG H . 27858 1 833 . 1 . 1 196 196 ARG C C 13 177.865 0.000 . 1 . . . . . 196 ARG C . 27858 1 834 . 1 . 1 196 196 ARG CA C 13 58.104 0.017 . 1 . . . . . 196 ARG CA . 27858 1 835 . 1 . 1 196 196 ARG CB C 13 31.166 0.000 . 1 . . . . . 196 ARG CB . 27858 1 836 . 1 . 1 196 196 ARG N N 15 116.085 0.009 . 1 . . . . . 196 ARG N . 27858 1 837 . 1 . 1 197 197 HIS H H 1 7.615 0.002 . 1 . . . . . 197 HIS H . 27858 1 838 . 1 . 1 197 197 HIS C C 13 176.557 0.000 . 1 . . . . . 197 HIS C . 27858 1 839 . 1 . 1 197 197 HIS CA C 13 56.632 0.003 . 1 . . . . . 197 HIS CA . 27858 1 840 . 1 . 1 197 197 HIS CB C 13 32.643 0.000 . 1 . . . . . 197 HIS CB . 27858 1 841 . 1 . 1 197 197 HIS N N 15 113.792 0.019 . 1 . . . . . 197 HIS N . 27858 1 842 . 1 . 1 198 198 SER H H 1 8.296 0.001 . 1 . . . . . 198 SER H . 27858 1 843 . 1 . 1 198 198 SER C C 13 175.192 0.000 . 1 . . . . . 198 SER C . 27858 1 844 . 1 . 1 198 198 SER CA C 13 58.296 0.002 . 1 . . . . . 198 SER CA . 27858 1 845 . 1 . 1 198 198 SER CB C 13 63.767 0.000 . 1 . . . . . 198 SER CB . 27858 1 846 . 1 . 1 198 198 SER N N 15 115.741 0.013 . 1 . . . . . 198 SER N . 27858 1 847 . 1 . 1 199 199 GLU H H 1 8.055 0.001 . 1 . . . . . 199 GLU H . 27858 1 848 . 1 . 1 199 199 GLU C C 13 176.668 0.000 . 1 . . . . . 199 GLU C . 27858 1 849 . 1 . 1 199 199 GLU CA C 13 58.292 0.005 . 1 . . . . . 199 GLU CA . 27858 1 850 . 1 . 1 199 199 GLU CB C 13 29.551 0.000 . 1 . . . . . 199 GLU CB . 27858 1 851 . 1 . 1 199 199 GLU N N 15 121.738 0.012 . 1 . . . . . 199 GLU N . 27858 1 852 . 1 . 1 200 200 PHE H H 1 7.889 0.001 . 1 . . . . . 200 PHE H . 27858 1 853 . 1 . 1 200 200 PHE C C 13 175.473 0.000 . 1 . . . . . 200 PHE C . 27858 1 854 . 1 . 1 200 200 PHE CA C 13 56.625 0.011 . 1 . . . . . 200 PHE CA . 27858 1 855 . 1 . 1 200 200 PHE CB C 13 38.472 0.000 . 1 . . . . . 200 PHE CB . 27858 1 856 . 1 . 1 200 200 PHE N N 15 115.226 0.023 . 1 . . . . . 200 PHE N . 27858 1 857 . 1 . 1 201 201 VAL H H 1 7.164 0.001 . 1 . . . . . 201 VAL H . 27858 1 858 . 1 . 1 201 201 VAL C C 13 176.013 0.000 . 1 . . . . . 201 VAL C . 27858 1 859 . 1 . 1 201 201 VAL CA C 13 62.641 0.004 . 1 . . . . . 201 VAL CA . 27858 1 860 . 1 . 1 201 201 VAL CB C 13 32.631 0.000 . 1 . . . . . 201 VAL CB . 27858 1 861 . 1 . 1 201 201 VAL N N 15 122.789 0.014 . 1 . . . . . 201 VAL N . 27858 1 862 . 1 . 1 202 202 ALA H H 1 8.886 0.001 . 1 . . . . . 202 ALA H . 27858 1 863 . 1 . 1 202 202 ALA C C 13 176.068 0.000 . 1 . . . . . 202 ALA C . 27858 1 864 . 1 . 1 202 202 ALA CA C 13 52.598 0.007 . 1 . . . . . 202 ALA CA . 27858 1 865 . 1 . 1 202 202 ALA CB C 13 19.037 0.000 . 1 . . . . . 202 ALA CB . 27858 1 866 . 1 . 1 202 202 ALA N N 15 130.176 0.004 . 1 . . . . . 202 ALA N . 27858 1 867 . 1 . 1 203 203 TYR H H 1 6.625 0.002 . 1 . . . . . 203 TYR H . 27858 1 868 . 1 . 1 203 203 TYR CA C 13 55.515 0.155 . 1 . . . . . 203 TYR CA . 27858 1 869 . 1 . 1 203 203 TYR CB C 13 40.314 0.000 . 1 . . . . . 203 TYR CB . 27858 1 870 . 1 . 1 203 203 TYR N N 15 117.175 0.010 . 1 . . . . . 203 TYR N . 27858 1 871 . 1 . 1 204 204 PRO C C 13 175.025 0.000 . 1 . . . . . 204 PRO C . 27858 1 872 . 1 . 1 204 204 PRO CA C 13 62.897 0.002 . 1 . . . . . 204 PRO CA . 27858 1 873 . 1 . 1 205 205 ILE H H 1 7.989 0.003 . 1 . . . . . 205 ILE H . 27858 1 874 . 1 . 1 205 205 ILE C C 13 176.312 0.000 . 1 . . . . . 205 ILE C . 27858 1 875 . 1 . 1 205 205 ILE CA C 13 59.959 0.002 . 1 . . . . . 205 ILE CA . 27858 1 876 . 1 . 1 205 205 ILE CB C 13 38.783 0.000 . 1 . . . . . 205 ILE CB . 27858 1 877 . 1 . 1 205 205 ILE N N 15 121.74 0.008 . 1 . . . . . 205 ILE N . 27858 1 878 . 1 . 1 206 206 GLN H H 1 9.276 0.002 . 1 . . . . . 206 GLN H . 27858 1 879 . 1 . 1 206 206 GLN C C 13 174.152 0.000 . 1 . . . . . 206 GLN C . 27858 1 880 . 1 . 1 206 206 GLN CA C 13 53.817 0.006 . 1 . . . . . 206 GLN CA . 27858 1 881 . 1 . 1 206 206 GLN CB C 13 30.096 0.000 . 1 . . . . . 206 GLN CB . 27858 1 882 . 1 . 1 206 206 GLN N N 15 128.35 0.017 . 1 . . . . . 206 GLN N . 27858 1 883 . 1 . 1 207 207 LEU H H 1 8.687 0.003 . 1 . . . . . 207 LEU H . 27858 1 884 . 1 . 1 207 207 LEU C C 13 175.934 0.000 . 1 . . . . . 207 LEU C . 27858 1 885 . 1 . 1 207 207 LEU CA C 13 53.667 0.043 . 1 . . . . . 207 LEU CA . 27858 1 886 . 1 . 1 207 207 LEU CB C 13 43.018 0.000 . 1 . . . . . 207 LEU CB . 27858 1 887 . 1 . 1 207 207 LEU N N 15 127.844 0.005 . 1 . . . . . 207 LEU N . 27858 1 888 . 1 . 1 208 208 VAL H H 1 8.734 0.002 . 1 . . . . . 208 VAL H . 27858 1 889 . 1 . 1 208 208 VAL C C 13 174.445 0.000 . 1 . . . . . 208 VAL C . 27858 1 890 . 1 . 1 208 208 VAL CA C 13 62.242 0.006 . 1 . . . . . 208 VAL CA . 27858 1 891 . 1 . 1 208 208 VAL CB C 13 32.055 0.000 . 1 . . . . . 208 VAL CB . 27858 1 892 . 1 . 1 208 208 VAL N N 15 129.853 0.014 . 1 . . . . . 208 VAL N . 27858 1 893 . 1 . 1 209 209 VAL H H 1 8.106 0.002 . 1 . . . . . 209 VAL H . 27858 1 894 . 1 . 1 209 209 VAL C C 13 175.506 0.000 . 1 . . . . . 209 VAL C . 27858 1 895 . 1 . 1 209 209 VAL CA C 13 60.778 0.003 . 1 . . . . . 209 VAL CA . 27858 1 896 . 1 . 1 209 209 VAL CB C 13 33.604 0.000 . 1 . . . . . 209 VAL CB . 27858 1 897 . 1 . 1 209 209 VAL N N 15 123.34 0.018 . 1 . . . . . 209 VAL N . 27858 1 898 . 1 . 1 210 210 THR H H 1 7.886 0.001 . 1 . . . . . 210 THR H . 27858 1 899 . 1 . 1 210 210 THR CA C 13 63.257 0.227 . 1 . . . . . 210 THR CA . 27858 1 900 . 1 . 1 210 210 THR CB C 13 70.825 0.000 . 1 . . . . . 210 THR CB . 27858 1 901 . 1 . 1 210 210 THR N N 15 123.476 0.005 . 1 . . . . . 210 THR N . 27858 1 stop_ save_