data_28071 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28071 _Entry.Title ; Backbone resonances of the tandem SH2 domain of SHP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-09 _Entry.Accession_date 2020-02-09 _Entry.Last_release_date 2020-02-10 _Entry.Original_release_date 2020-02-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Michelangelo Marasco . . . . 28071 2 John Kirkpatrick . P. . . 28071 3 Teresa Carlomagno . . . . 28071 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 28071 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'AK Carlomagno' . 28071 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28071 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 594 28071 '15N chemical shifts' 201 28071 '1H chemical shifts' 201 28071 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 . . 2020-11-13 . original BMRB . 28071 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28069 'nSH2 domain of SHP2' 28071 BMRB 28070 'cSH2 domain of SHP2' 28071 BMRB 28072 'cSH2 domain of SHP2 in complex with the ITIM of PD-1' 28071 BMRB 28073 'nSH2 domain of SHP2 in complex with the ITSM of PD-1' 28071 BMRB 28074 'nSH2 domain of SHP2 in complex with the ITIM of PD-1' 28071 BMRB 28075 'tSH2 domain in complex with the bidentate ITIM-ITSM peptide of PD-1, ITIM-bound state' 28071 BMRB 28076 'tSH2 domain in complex with the bidentate ITIM-ITSM peptide of PD-1, ITSM-bound state' 28071 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28071 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32236803 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N chemical shift assignments of SHP2 SH2 domains in complex with PD-1 immune-tyrosine motifs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD 0353 _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 179 _Citation.Page_last 188 _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 Michelangelo Marasco . . . . 28071 1 2 John Kirkpatrick . P. . . 28071 1 3 Teresa Carlomagno . . . . 28071 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28071 _Assembly.ID 1 _Assembly.Name 'tandem SH2 domain of SHP2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 24758.8305 _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 tandem 1 $tandem A . yes native no no . . . 28071 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tandem _Entity.Sf_category entity _Entity.Sf_framecode tandem _Entity.Entry_ID 28071 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tandem _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASRRWFHPNITGVEAENLL LTRGVDGSFLARPSKSNPGD FTLSVRRNGAVTHIKIQNTG DYYDLYGGEKFATLAELVQY YMEHHGQLKEKNGDVIELKY PLNCADPTSERWFHGHLSGK EAEKLLTEKGKHGSFLVRES QSHPGDFVLSVRTGDDKGES NDGKSKVTHVMIRCQELKYD VGGGERFDSLTDLVEHYKKN PMVETLGTVLQLKQPLNTTR ; _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 220 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24758.8305 _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 . 28071 1 2 . ALA . 28071 1 3 . SER . 28071 1 4 . ARG . 28071 1 5 . ARG . 28071 1 6 . TRP . 28071 1 7 . PHE . 28071 1 8 . HIS . 28071 1 9 . PRO . 28071 1 10 . ASN . 28071 1 11 . ILE . 28071 1 12 . THR . 28071 1 13 . GLY . 28071 1 14 . VAL . 28071 1 15 . GLU . 28071 1 16 . ALA . 28071 1 17 . GLU . 28071 1 18 . ASN . 28071 1 19 . LEU . 28071 1 20 . LEU . 28071 1 21 . LEU . 28071 1 22 . THR . 28071 1 23 . ARG . 28071 1 24 . GLY . 28071 1 25 . VAL . 28071 1 26 . ASP . 28071 1 27 . GLY . 28071 1 28 . SER . 28071 1 29 . PHE . 28071 1 30 . LEU . 28071 1 31 . ALA . 28071 1 32 . ARG . 28071 1 33 . PRO . 28071 1 34 . SER . 28071 1 35 . LYS . 28071 1 36 . SER . 28071 1 37 . ASN . 28071 1 38 . PRO . 28071 1 39 . GLY . 28071 1 40 . ASP . 28071 1 41 . PHE . 28071 1 42 . THR . 28071 1 43 . LEU . 28071 1 44 . SER . 28071 1 45 . VAL . 28071 1 46 . ARG . 28071 1 47 . ARG . 28071 1 48 . ASN . 28071 1 49 . GLY . 28071 1 50 . ALA . 28071 1 51 . VAL . 28071 1 52 . THR . 28071 1 53 . HIS . 28071 1 54 . ILE . 28071 1 55 . LYS . 28071 1 56 . ILE . 28071 1 57 . GLN . 28071 1 58 . ASN . 28071 1 59 . THR . 28071 1 60 . GLY . 28071 1 61 . ASP . 28071 1 62 . TYR . 28071 1 63 . TYR . 28071 1 64 . ASP . 28071 1 65 . LEU . 28071 1 66 . TYR . 28071 1 67 . GLY . 28071 1 68 . GLY . 28071 1 69 . GLU . 28071 1 70 . LYS . 28071 1 71 . PHE . 28071 1 72 . ALA . 28071 1 73 . THR . 28071 1 74 . LEU . 28071 1 75 . ALA . 28071 1 76 . GLU . 28071 1 77 . LEU . 28071 1 78 . VAL . 28071 1 79 . GLN . 28071 1 80 . TYR . 28071 1 81 . TYR . 28071 1 82 . MET . 28071 1 83 . GLU . 28071 1 84 . HIS . 28071 1 85 . HIS . 28071 1 86 . GLY . 28071 1 87 . GLN . 28071 1 88 . LEU . 28071 1 89 . LYS . 28071 1 90 . GLU . 28071 1 91 . LYS . 28071 1 92 . ASN . 28071 1 93 . GLY . 28071 1 94 . ASP . 28071 1 95 . VAL . 28071 1 96 . ILE . 28071 1 97 . GLU . 28071 1 98 . LEU . 28071 1 99 . LYS . 28071 1 100 . TYR . 28071 1 101 . PRO . 28071 1 102 . LEU . 28071 1 103 . ASN . 28071 1 104 . CYS . 28071 1 105 . ALA . 28071 1 106 . ASP . 28071 1 107 . PRO . 28071 1 108 . THR . 28071 1 109 . SER . 28071 1 110 . GLU . 28071 1 111 . ARG . 28071 1 112 . TRP . 28071 1 113 . PHE . 28071 1 114 . HIS . 28071 1 115 . GLY . 28071 1 116 . HIS . 28071 1 117 . LEU . 28071 1 118 . SER . 28071 1 119 . GLY . 28071 1 120 . LYS . 28071 1 121 . GLU . 28071 1 122 . ALA . 28071 1 123 . GLU . 28071 1 124 . LYS . 28071 1 125 . LEU . 28071 1 126 . LEU . 28071 1 127 . THR . 28071 1 128 . GLU . 28071 1 129 . LYS . 28071 1 130 . GLY . 28071 1 131 . LYS . 28071 1 132 . HIS . 28071 1 133 . GLY . 28071 1 134 . SER . 28071 1 135 . PHE . 28071 1 136 . LEU . 28071 1 137 . VAL . 28071 1 138 . ARG . 28071 1 139 . GLU . 28071 1 140 . SER . 28071 1 141 . GLN . 28071 1 142 . SER . 28071 1 143 . HIS . 28071 1 144 . PRO . 28071 1 145 . GLY . 28071 1 146 . ASP . 28071 1 147 . PHE . 28071 1 148 . VAL . 28071 1 149 . LEU . 28071 1 150 . SER . 28071 1 151 . VAL . 28071 1 152 . ARG . 28071 1 153 . THR . 28071 1 154 . GLY . 28071 1 155 . ASP . 28071 1 156 . ASP . 28071 1 157 . LYS . 28071 1 158 . GLY . 28071 1 159 . GLU . 28071 1 160 . SER . 28071 1 161 . ASN . 28071 1 162 . ASP . 28071 1 163 . GLY . 28071 1 164 . LYS . 28071 1 165 . SER . 28071 1 166 . LYS . 28071 1 167 . VAL . 28071 1 168 . THR . 28071 1 169 . HIS . 28071 1 170 . VAL . 28071 1 171 . MET . 28071 1 172 . ILE . 28071 1 173 . ARG . 28071 1 174 . CYS . 28071 1 175 . GLN . 28071 1 176 . GLU . 28071 1 177 . LEU . 28071 1 178 . LYS . 28071 1 179 . TYR . 28071 1 180 . ASP . 28071 1 181 . VAL . 28071 1 182 . GLY . 28071 1 183 . GLY . 28071 1 184 . GLY . 28071 1 185 . GLU . 28071 1 186 . ARG . 28071 1 187 . PHE . 28071 1 188 . ASP . 28071 1 189 . SER . 28071 1 190 . LEU . 28071 1 191 . THR . 28071 1 192 . ASP . 28071 1 193 . LEU . 28071 1 194 . VAL . 28071 1 195 . GLU . 28071 1 196 . HIS . 28071 1 197 . TYR . 28071 1 198 . LYS . 28071 1 199 . LYS . 28071 1 200 . ASN . 28071 1 201 . PRO . 28071 1 202 . MET . 28071 1 203 . VAL . 28071 1 204 . GLU . 28071 1 205 . THR . 28071 1 206 . LEU . 28071 1 207 . GLY . 28071 1 208 . THR . 28071 1 209 . VAL . 28071 1 210 . LEU . 28071 1 211 . GLN . 28071 1 212 . LEU . 28071 1 213 . LYS . 28071 1 214 . GLN . 28071 1 215 . PRO . 28071 1 216 . LEU . 28071 1 217 . ASN . 28071 1 218 . THR . 28071 1 219 . THR . 28071 1 220 . ARG . 28071 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 28071 1 . ALA 2 2 28071 1 . SER 3 3 28071 1 . ARG 4 4 28071 1 . ARG 5 5 28071 1 . TRP 6 6 28071 1 . PHE 7 7 28071 1 . HIS 8 8 28071 1 . PRO 9 9 28071 1 . ASN 10 10 28071 1 . ILE 11 11 28071 1 . THR 12 12 28071 1 . GLY 13 13 28071 1 . VAL 14 14 28071 1 . GLU 15 15 28071 1 . ALA 16 16 28071 1 . GLU 17 17 28071 1 . ASN 18 18 28071 1 . LEU 19 19 28071 1 . LEU 20 20 28071 1 . LEU 21 21 28071 1 . THR 22 22 28071 1 . ARG 23 23 28071 1 . GLY 24 24 28071 1 . VAL 25 25 28071 1 . ASP 26 26 28071 1 . GLY 27 27 28071 1 . SER 28 28 28071 1 . PHE 29 29 28071 1 . LEU 30 30 28071 1 . ALA 31 31 28071 1 . ARG 32 32 28071 1 . PRO 33 33 28071 1 . SER 34 34 28071 1 . LYS 35 35 28071 1 . SER 36 36 28071 1 . ASN 37 37 28071 1 . PRO 38 38 28071 1 . GLY 39 39 28071 1 . ASP 40 40 28071 1 . PHE 41 41 28071 1 . THR 42 42 28071 1 . LEU 43 43 28071 1 . SER 44 44 28071 1 . VAL 45 45 28071 1 . ARG 46 46 28071 1 . ARG 47 47 28071 1 . ASN 48 48 28071 1 . GLY 49 49 28071 1 . ALA 50 50 28071 1 . VAL 51 51 28071 1 . THR 52 52 28071 1 . HIS 53 53 28071 1 . ILE 54 54 28071 1 . LYS 55 55 28071 1 . ILE 56 56 28071 1 . GLN 57 57 28071 1 . ASN 58 58 28071 1 . THR 59 59 28071 1 . GLY 60 60 28071 1 . ASP 61 61 28071 1 . TYR 62 62 28071 1 . TYR 63 63 28071 1 . ASP 64 64 28071 1 . LEU 65 65 28071 1 . TYR 66 66 28071 1 . GLY 67 67 28071 1 . GLY 68 68 28071 1 . GLU 69 69 28071 1 . LYS 70 70 28071 1 . PHE 71 71 28071 1 . ALA 72 72 28071 1 . THR 73 73 28071 1 . LEU 74 74 28071 1 . ALA 75 75 28071 1 . GLU 76 76 28071 1 . LEU 77 77 28071 1 . VAL 78 78 28071 1 . GLN 79 79 28071 1 . TYR 80 80 28071 1 . TYR 81 81 28071 1 . MET 82 82 28071 1 . GLU 83 83 28071 1 . HIS 84 84 28071 1 . HIS 85 85 28071 1 . GLY 86 86 28071 1 . GLN 87 87 28071 1 . LEU 88 88 28071 1 . LYS 89 89 28071 1 . GLU 90 90 28071 1 . LYS 91 91 28071 1 . ASN 92 92 28071 1 . GLY 93 93 28071 1 . ASP 94 94 28071 1 . VAL 95 95 28071 1 . ILE 96 96 28071 1 . GLU 97 97 28071 1 . LEU 98 98 28071 1 . LYS 99 99 28071 1 . TYR 100 100 28071 1 . PRO 101 101 28071 1 . LEU 102 102 28071 1 . ASN 103 103 28071 1 . CYS 104 104 28071 1 . ALA 105 105 28071 1 . ASP 106 106 28071 1 . PRO 107 107 28071 1 . THR 108 108 28071 1 . SER 109 109 28071 1 . GLU 110 110 28071 1 . ARG 111 111 28071 1 . TRP 112 112 28071 1 . PHE 113 113 28071 1 . HIS 114 114 28071 1 . GLY 115 115 28071 1 . HIS 116 116 28071 1 . LEU 117 117 28071 1 . SER 118 118 28071 1 . GLY 119 119 28071 1 . LYS 120 120 28071 1 . GLU 121 121 28071 1 . ALA 122 122 28071 1 . GLU 123 123 28071 1 . LYS 124 124 28071 1 . LEU 125 125 28071 1 . LEU 126 126 28071 1 . THR 127 127 28071 1 . GLU 128 128 28071 1 . LYS 129 129 28071 1 . GLY 130 130 28071 1 . LYS 131 131 28071 1 . HIS 132 132 28071 1 . GLY 133 133 28071 1 . SER 134 134 28071 1 . PHE 135 135 28071 1 . LEU 136 136 28071 1 . VAL 137 137 28071 1 . ARG 138 138 28071 1 . GLU 139 139 28071 1 . SER 140 140 28071 1 . GLN 141 141 28071 1 . SER 142 142 28071 1 . HIS 143 143 28071 1 . PRO 144 144 28071 1 . GLY 145 145 28071 1 . ASP 146 146 28071 1 . PHE 147 147 28071 1 . VAL 148 148 28071 1 . LEU 149 149 28071 1 . SER 150 150 28071 1 . VAL 151 151 28071 1 . ARG 152 152 28071 1 . THR 153 153 28071 1 . GLY 154 154 28071 1 . ASP 155 155 28071 1 . ASP 156 156 28071 1 . LYS 157 157 28071 1 . GLY 158 158 28071 1 . GLU 159 159 28071 1 . SER 160 160 28071 1 . ASN 161 161 28071 1 . ASP 162 162 28071 1 . GLY 163 163 28071 1 . LYS 164 164 28071 1 . SER 165 165 28071 1 . LYS 166 166 28071 1 . VAL 167 167 28071 1 . THR 168 168 28071 1 . HIS 169 169 28071 1 . VAL 170 170 28071 1 . MET 171 171 28071 1 . ILE 172 172 28071 1 . ARG 173 173 28071 1 . CYS 174 174 28071 1 . GLN 175 175 28071 1 . GLU 176 176 28071 1 . LEU 177 177 28071 1 . LYS 178 178 28071 1 . TYR 179 179 28071 1 . ASP 180 180 28071 1 . VAL 181 181 28071 1 . GLY 182 182 28071 1 . GLY 183 183 28071 1 . GLY 184 184 28071 1 . GLU 185 185 28071 1 . ARG 186 186 28071 1 . PHE 187 187 28071 1 . ASP 188 188 28071 1 . SER 189 189 28071 1 . LEU 190 190 28071 1 . THR 191 191 28071 1 . ASP 192 192 28071 1 . LEU 193 193 28071 1 . VAL 194 194 28071 1 . GLU 195 195 28071 1 . HIS 196 196 28071 1 . TYR 197 197 28071 1 . LYS 198 198 28071 1 . LYS 199 199 28071 1 . ASN 200 200 28071 1 . PRO 201 201 28071 1 . MET 202 202 28071 1 . VAL 203 203 28071 1 . GLU 204 204 28071 1 . THR 205 205 28071 1 . LEU 206 206 28071 1 . GLY 207 207 28071 1 . THR 208 208 28071 1 . VAL 209 209 28071 1 . LEU 210 210 28071 1 . GLN 211 211 28071 1 . LEU 212 212 28071 1 . LYS 213 213 28071 1 . GLN 214 214 28071 1 . PRO 215 215 28071 1 . LEU 216 216 28071 1 . ASN 217 217 28071 1 . THR 218 218 28071 1 . THR 219 219 28071 1 . ARG 220 220 28071 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 28071 _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 $tandem . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ptpn11 . 28071 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 28071 _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 $tandem . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'Tuner (DE3)' . . . . . pETM22 . . . 28071 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_tSH2_1 _Sample.Sf_category sample _Sample.Sf_framecode tSH2_1 _Sample.Entry_ID 28071 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 tandem '[U-13C; U-15N]' . . 1 $tandem . . 0.5 . . mM . . . . 28071 1 2 MES 'natural abundance' . . . . . . 100.0 . . mM . . . . 28071 1 3 NaCl 'natural abundance' . . . . . . 150.0 . . mM . . . . 28071 1 4 TCEP 'natural abundance' . . . . . . 3.0 . . mM . . . . 28071 1 stop_ save_ ####################### # Sample conditions # ####################### save_Standard _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard _Sample_condition_list.Entry_ID 28071 _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 'ionic strength' 0.150 . M 28071 1 pH 6.800 . pH 28071 1 pressure 1.000 . atm 28071 1 temperature 298.000 . K 28071 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 28071 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 28071 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'pick peaking, chemical shift assignment' 28071 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28071 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 8.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio, S. Grzesiek, G. Vuister, G. Zhu, J. Pfeifer, A. Bax' . . 28071 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data processing' 28071 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28071 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28071 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data collection' 28071 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 850 _NMR_spectrometer.Entry_ID 28071 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 28071 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28071 _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 1 850 Bruker 'Avance III HD' . 850 . . . 28071 1 2 600 Bruker 'Avance III HD' . 600 . . . 28071 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 28071 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $tSH2_1 isotropic . . 1 $Standard . . . 1 $850 . . . . . . . . . . . . . . . . 28071 1 2 '3D HNCACB' no . . . . . . . . . . 1 $tSH2_1 isotropic . . 1 $Standard . . . 1 $850 . . . . . . . . . . . . . . . . 28071 1 3 '3D HNCO' no . . . . . . . . . . 1 $tSH2_1 isotropic . . 1 $Standard . . . 2 $600 . . . . . . . . . . . . . . . . 28071 1 4 '3D HNCA' no . . . . . . . . . . 1 $tSH2_1 isotropic . . 1 $Standard . . . 1 $850 . . . . . . . . . . . . . . . . 28071 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $tSH2_1 isotropic . . 1 $Standard . . . 2 $600 . . . . . . . . . . . . . . . . 28071 1 6 'HN(COCA)CB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $tSH2_1 isotropic . . 1 $Standard . . . 2 $600 . . . . . . . . . . . . . . . . 28071 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 28071 _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 HDO 'hydroxyl proton' . . . . ppm 4.78 internal indirect 0.251 . . . . . 28071 1 H 1 HDO 'hydroxyl proton' . . . . ppm 4.78 internal indirect 1.000 . . . . . 28071 1 N 15 HDO 'hydroxyl proton' . . . . ppm 4.78 internal indirect 0.101 . . . . . 28071 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 28071 _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 $Standard _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/HMQC' 1 $tSH2_1 isotropic 28071 1 2 '3D HNCACB' 1 $tSH2_1 isotropic 28071 1 3 '3D HNCO' 1 $tSH2_1 isotropic 28071 1 4 '3D HNCA' 1 $tSH2_1 isotropic 28071 1 5 '3D HN(CO)CA' 1 $tSH2_1 isotropic 28071 1 6 'HN(COCA)CB (H[N[co[{CA|ca[C]}]]])' 1 $tSH2_1 isotropic 28071 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 28071 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 H H 1 8.639 0.0 . 1 . . 61 . . 1 MET H . 28071 1 2 . 1 . 1 1 1 MET C C 13 176.355 . . 1 . . 826 . . 1 MET C . 28071 1 3 . 1 . 1 1 1 MET CA C 13 55.747 0.006 . 1 . . 628 . . 1 MET CA . 28071 1 4 . 1 . 1 1 1 MET CB C 13 32.760 0.067 . 1 . . 629 . . 1 MET CB . 28071 1 5 . 1 . 1 1 1 MET N N 15 120.548 0.006 . 1 . . 62 . . 1 MET N . 28071 1 6 . 1 . 1 2 2 ALA H H 1 8.264 0.0 . 1 . . 351 . . 2 ALA H . 28071 1 7 . 1 . 1 2 2 ALA C C 13 177.579 . . 1 . . 827 . . 2 ALA C . 28071 1 8 . 1 . 1 2 2 ALA CA C 13 52.943 0.004 . 1 . . 630 . . 2 ALA CA . 28071 1 9 . 1 . 1 2 2 ALA CB C 13 19.187 0.004 . 1 . . 631 . . 2 ALA CB . 28071 1 10 . 1 . 1 2 2 ALA N N 15 125.059 0.011 . 1 . . 352 . . 2 ALA N . 28071 1 11 . 1 . 1 3 3 SER H H 1 7.967 0.001 . 1 . . 341 . . 3 SER H . 28071 1 12 . 1 . 1 3 3 SER C C 13 174.606 . . 1 . . 828 . . 3 SER C . 28071 1 13 . 1 . 1 3 3 SER CA C 13 58.557 0.004 . 1 . . 632 . . 3 SER CA . 28071 1 14 . 1 . 1 3 3 SER CB C 13 63.676 0.009 . 1 . . 633 . . 3 SER CB . 28071 1 15 . 1 . 1 3 3 SER N N 15 113.932 0.019 . 1 . . 267 . . 3 SER N . 28071 1 16 . 1 . 1 4 4 ARG H H 1 8.245 0.002 . 1 . . 50 . . 4 ARG H . 28071 1 17 . 1 . 1 4 4 ARG C C 13 176.365 . . 1 . . 829 . . 4 ARG C . 28071 1 18 . 1 . 1 4 4 ARG CA C 13 55.210 0.004 . 1 . . 634 . . 4 ARG CA . 28071 1 19 . 1 . 1 4 4 ARG CB C 13 29.521 0.009 . 1 . . 635 . . 4 ARG CB . 28071 1 20 . 1 . 1 4 4 ARG N N 15 121.639 0.021 . 1 . . 51 . . 4 ARG N . 28071 1 21 . 1 . 1 5 5 ARG H H 1 8.326 0.002 . 1 . . 359 . . 5 ARG H . 28071 1 22 . 1 . 1 5 5 ARG C C 13 174.897 . . 1 . . 830 . . 5 ARG C . 28071 1 23 . 1 . 1 5 5 ARG CA C 13 57.984 0.005 . 1 . . 636 . . 5 ARG CA . 28071 1 24 . 1 . 1 5 5 ARG CB C 13 29.710 0.051 . 1 . . 637 . . 5 ARG CB . 28071 1 25 . 1 . 1 5 5 ARG N N 15 119.189 0.012 . 1 . . 360 . . 5 ARG N . 28071 1 26 . 1 . 1 6 6 TRP H H 1 6.421 0.002 . 1 . . 25 . . 6 TRP H . 28071 1 27 . 1 . 1 6 6 TRP C C 13 175.101 . . 1 . . 831 . . 6 TRP C . 28071 1 28 . 1 . 1 6 6 TRP CA C 13 54.709 0.001 . 1 . . 638 . . 6 TRP CA . 28071 1 29 . 1 . 1 6 6 TRP CB C 13 29.589 0.051 . 1 . . 639 . . 6 TRP CB . 28071 1 30 . 1 . 1 6 6 TRP N N 15 110.914 0.012 . 1 . . 26 . . 6 TRP N . 28071 1 31 . 1 . 1 7 7 PHE H H 1 7.683 0.001 . 1 . . 317 . . 7 PHE H . 28071 1 32 . 1 . 1 7 7 PHE C C 13 173.538 . . 1 . . 832 . . 7 PHE C . 28071 1 33 . 1 . 1 7 7 PHE CA C 13 57.065 0.008 . 1 . . 640 . . 7 PHE CA . 28071 1 34 . 1 . 1 7 7 PHE CB C 13 39.395 0.083 . 1 . . 641 . . 7 PHE CB . 28071 1 35 . 1 . 1 7 7 PHE N N 15 124.404 0.007 . 1 . . 318 . . 7 PHE N . 28071 1 36 . 1 . 1 8 8 HIS H H 1 8.618 0.003 . 1 . . 228 . . 8 HIS H . 28071 1 37 . 1 . 1 8 8 HIS CA C 13 52.528 . . 1 . . 642 . . 8 HIS CA . 28071 1 38 . 1 . 1 8 8 HIS N N 15 129.259 0.02 . 1 . . 229 . . 8 HIS N . 28071 1 39 . 1 . 1 9 9 PRO C C 13 178.085 . . 1 . . 833 . . 9 PRO C . 28071 1 40 . 1 . 1 9 9 PRO CA C 13 63.884 0.013 . 1 . . 645 . . 9 PRO CA . 28071 1 41 . 1 . 1 9 9 PRO CB C 13 32.980 0.084 . 1 . . 646 . . 9 PRO CB . 28071 1 42 . 1 . 1 10 10 ASN H H 1 8.587 0.002 . 1 . . 434 . . 10 ASN H . 28071 1 43 . 1 . 1 10 10 ASN C C 13 174.685 . . 1 . . 834 . . 10 ASN C . 28071 1 44 . 1 . 1 10 10 ASN CA C 13 53.242 0.006 . 1 . . 644 . . 10 ASN CA . 28071 1 45 . 1 . 1 10 10 ASN CB C 13 39.586 0.006 . 1 . . 643 . . 10 ASN CB . 28071 1 46 . 1 . 1 10 10 ASN N N 15 113.942 0.024 . 1 . . 435 . . 10 ASN N . 28071 1 47 . 1 . 1 11 11 ILE H H 1 6.877 0.002 . 1 . . 430 . . 11 ILE H . 28071 1 48 . 1 . 1 11 11 ILE C C 13 175.514 . . 1 . . 835 . . 11 ILE C . 28071 1 49 . 1 . 1 11 11 ILE CA C 13 60.658 0.01 . 1 . . 647 . . 11 ILE CA . 28071 1 50 . 1 . 1 11 11 ILE CB C 13 41.581 0.038 . 1 . . 648 . . 11 ILE CB . 28071 1 51 . 1 . 1 11 11 ILE N N 15 114.772 0.026 . 1 . . 431 . . 11 ILE N . 28071 1 52 . 1 . 1 12 12 THR H H 1 8.439 0.006 . 1 . . 198 . . 12 THR H . 28071 1 53 . 1 . 1 12 12 THR C C 13 175.752 . . 1 . . 836 . . 12 THR C . 28071 1 54 . 1 . 1 12 12 THR CA C 13 60.320 0.033 . 1 . . 649 . . 12 THR CA . 28071 1 55 . 1 . 1 12 12 THR CB C 13 71.619 0.036 . 1 . . 650 . . 12 THR CB . 28071 1 56 . 1 . 1 12 12 THR N N 15 114.283 0.02 . 1 . . 199 . . 12 THR N . 28071 1 57 . 1 . 1 13 13 GLY H H 1 8.935 0.004 . 1 . . 383 . . 13 GLY H . 28071 1 58 . 1 . 1 13 13 GLY C C 13 175.811 . . 1 . . 837 . . 13 GLY C . 28071 1 59 . 1 . 1 13 13 GLY CA C 13 47.844 0.024 . 1 . . 651 . . 13 GLY CA . 28071 1 60 . 1 . 1 13 13 GLY N N 15 109.712 0.027 . 1 . . 384 . . 13 GLY N . 28071 1 61 . 1 . 1 14 14 VAL H H 1 7.897 0.002 . 1 . . 46 . . 14 VAL H . 28071 1 62 . 1 . 1 14 14 VAL C C 13 178.793 . . 1 . . 838 . . 14 VAL C . 28071 1 63 . 1 . 1 14 14 VAL CA C 13 65.682 0.01 . 1 . . 652 . . 14 VAL CA . 28071 1 64 . 1 . 1 14 14 VAL CB C 13 31.971 0.03 . 1 . . 653 . . 14 VAL CB . 28071 1 65 . 1 . 1 14 14 VAL N N 15 120.394 0.019 . 1 . . 47 . . 14 VAL N . 28071 1 66 . 1 . 1 15 15 GLU H H 1 7.415 0.004 . 1 . . 191 . . 15 GLU H . 28071 1 67 . 1 . 1 15 15 GLU C C 13 179.515 . . 1 . . 839 . . 15 GLU C . 28071 1 68 . 1 . 1 15 15 GLU CA C 13 59.015 0.012 . 1 . . 654 . . 15 GLU CA . 28071 1 69 . 1 . 1 15 15 GLU CB C 13 30.223 0.032 . 1 . . 655 . . 15 GLU CB . 28071 1 70 . 1 . 1 15 15 GLU N N 15 120.711 0.015 . 1 . . 192 . . 15 GLU N . 28071 1 71 . 1 . 1 16 16 ALA H H 1 8.550 0.004 . 1 . . 63 . . 16 ALA H . 28071 1 72 . 1 . 1 16 16 ALA C C 13 178.916 . . 1 . . 840 . . 16 ALA C . 28071 1 73 . 1 . 1 16 16 ALA CA C 13 55.302 0.006 . 1 . . 656 . . 16 ALA CA . 28071 1 74 . 1 . 1 16 16 ALA CB C 13 18.641 0.063 . 1 . . 657 . . 16 ALA CB . 28071 1 75 . 1 . 1 16 16 ALA N N 15 121.631 0.019 . 1 . . 64 . . 16 ALA N . 28071 1 76 . 1 . 1 17 17 GLU H H 1 8.168 0.001 . 1 . . 193 . . 17 GLU H . 28071 1 77 . 1 . 1 17 17 GLU C C 13 177.339 . . 1 . . 841 . . 17 GLU C . 28071 1 78 . 1 . 1 17 17 GLU CA C 13 60.304 0.016 . 1 . . 658 . . 17 GLU CA . 28071 1 79 . 1 . 1 17 17 GLU CB C 13 28.743 0.034 . 1 . . 659 . . 17 GLU CB . 28071 1 80 . 1 . 1 17 17 GLU N N 15 116.396 0.01 . 1 . . 113 . . 17 GLU N . 28071 1 81 . 1 . 1 18 18 ASN H H 1 8.013 0.003 . 1 . . 3 . . 18 ASN H . 28071 1 82 . 1 . 1 18 18 ASN C C 13 178.838 . . 1 . . 842 . . 18 ASN C . 28071 1 83 . 1 . 1 18 18 ASN CA C 13 56.899 0.003 . 1 . . 660 . . 18 ASN CA . 28071 1 84 . 1 . 1 18 18 ASN CB C 13 38.635 0.006 . 1 . . 661 . . 18 ASN CB . 28071 1 85 . 1 . 1 18 18 ASN N N 15 116.242 0.024 . 1 . . 4 . . 18 ASN N . 28071 1 86 . 1 . 1 19 19 LEU H H 1 8.671 0.002 . 1 . . 59 . . 19 LEU H . 28071 1 87 . 1 . 1 19 19 LEU C C 13 179.095 . . 1 . . 843 . . 19 LEU C . 28071 1 88 . 1 . 1 19 19 LEU CA C 13 58.445 0.006 . 1 . . 662 . . 19 LEU CA . 28071 1 89 . 1 . 1 19 19 LEU CB C 13 42.559 0.031 . 1 . . 663 . . 19 LEU CB . 28071 1 90 . 1 . 1 19 19 LEU N N 15 122.382 0.006 . 1 . . 60 . . 19 LEU N . 28071 1 91 . 1 . 1 20 20 LEU H H 1 8.103 0.001 . 1 . . 183 . . 20 LEU H . 28071 1 92 . 1 . 1 20 20 LEU C C 13 179.456 . . 1 . . 844 . . 20 LEU C . 28071 1 93 . 1 . 1 20 20 LEU CA C 13 58.199 0.033 . 1 . . 664 . . 20 LEU CA . 28071 1 94 . 1 . 1 20 20 LEU CB C 13 42.546 0.077 . 1 . . 665 . . 20 LEU CB . 28071 1 95 . 1 . 1 20 20 LEU N N 15 118.491 0.019 . 1 . . 184 . . 20 LEU N . 28071 1 96 . 1 . 1 21 21 LEU H H 1 8.344 0.002 . 1 . . 367 . . 21 LEU H . 28071 1 97 . 1 . 1 21 21 LEU C C 13 177.949 . . 1 . . 845 . . 21 LEU C . 28071 1 98 . 1 . 1 21 21 LEU CA C 13 56.955 0.025 . 1 . . 666 . . 21 LEU CA . 28071 1 99 . 1 . 1 21 21 LEU CB C 13 41.514 0.067 . 1 . . 667 . . 21 LEU CB . 28071 1 100 . 1 . 1 21 21 LEU N N 15 116.878 0.022 . 1 . . 368 . . 21 LEU N . 28071 1 101 . 1 . 1 22 22 THR H H 1 7.859 0.001 . 1 . . 158 . . 22 THR H . 28071 1 102 . 1 . 1 22 22 THR C C 13 176.273 . . 1 . . 846 . . 22 THR C . 28071 1 103 . 1 . 1 22 22 THR CA C 13 63.643 0.011 . 1 . . 942 . . 22 THR CA . 28071 1 104 . 1 . 1 22 22 THR CB C 13 70.608 0.072 . 1 . . 668 . . 22 THR CB . 28071 1 105 . 1 . 1 22 22 THR N N 15 109.241 0.023 . 1 . . 159 . . 22 THR N . 28071 1 106 . 1 . 1 23 23 ARG H H 1 8.438 0.001 . 1 . . 71 . . 23 ARG H . 28071 1 107 . 1 . 1 23 23 ARG C C 13 176.634 . . 1 . . 847 . . 23 ARG C . 28071 1 108 . 1 . 1 23 23 ARG CA C 13 55.622 0.006 . 1 . . 669 . . 23 ARG CA . 28071 1 109 . 1 . 1 23 23 ARG CB C 13 31.734 0.024 . 1 . . 670 . . 23 ARG CB . 28071 1 110 . 1 . 1 23 23 ARG N N 15 119.370 0.012 . 1 . . 72 . . 23 ARG N . 28071 1 111 . 1 . 1 24 24 GLY H H 1 7.059 0.001 . 1 . . 313 . . 24 GLY H . 28071 1 112 . 1 . 1 24 24 GLY C C 13 171.154 . . 1 . . 848 . . 24 GLY C . 28071 1 113 . 1 . 1 24 24 GLY CA C 13 43.907 0.042 . 1 . . 671 . . 24 GLY CA . 28071 1 114 . 1 . 1 24 24 GLY N N 15 106.777 0.006 . 1 . . 314 . . 24 GLY N . 28071 1 115 . 1 . 1 25 25 VAL H H 1 8.940 0.004 . 1 . . 249 . . 25 VAL H . 28071 1 116 . 1 . 1 25 25 VAL C C 13 176.294 . . 1 . . 849 . . 25 VAL C . 28071 1 117 . 1 . 1 25 25 VAL CA C 13 59.118 0.005 . 1 . . 672 . . 25 VAL CA . 28071 1 118 . 1 . 1 25 25 VAL CB C 13 35.972 0.038 . 1 . . 673 . . 25 VAL CB . 28071 1 119 . 1 . 1 25 25 VAL N N 15 109.873 0.028 . 1 . . 250 . . 25 VAL N . 28071 1 120 . 1 . 1 26 26 ASP H H 1 8.948 0.002 . 1 . . 308 . . 26 ASP H . 28071 1 121 . 1 . 1 26 26 ASP C C 13 177.088 . . 1 . . 850 . . 26 ASP C . 28071 1 122 . 1 . 1 26 26 ASP CA C 13 57.846 0.005 . 1 . . 674 . . 26 ASP CA . 28071 1 123 . 1 . 1 26 26 ASP CB C 13 39.069 0.002 . 1 . . 675 . . 26 ASP CB . 28071 1 124 . 1 . 1 26 26 ASP N N 15 123.009 0.018 . 1 . . 309 . . 26 ASP N . 28071 1 125 . 1 . 1 27 27 GLY H H 1 8.762 0.001 . 1 . . 205 . . 27 GLY H . 28071 1 126 . 1 . 1 27 27 GLY C C 13 176.087 . . 1 . . 851 . . 27 GLY C . 28071 1 127 . 1 . 1 27 27 GLY CA C 13 44.817 0.02 . 1 . . 676 . . 27 GLY CA . 28071 1 128 . 1 . 1 27 27 GLY N N 15 112.896 0.011 . 1 . . 206 . . 27 GLY N . 28071 1 129 . 1 . 1 28 28 SER H H 1 9.373 0.003 . 1 . . 15 . . 28 SER H . 28071 1 130 . 1 . 1 28 28 SER C C 13 172.968 . . 1 . . 852 . . 28 SER C . 28071 1 131 . 1 . 1 28 28 SER CA C 13 60.630 0.047 . 1 . . 677 . . 28 SER CA . 28071 1 132 . 1 . 1 28 28 SER CB C 13 64.397 0.035 . 1 . . 678 . . 28 SER CB . 28071 1 133 . 1 . 1 28 28 SER N N 15 122.572 0.019 . 1 . . 16 . . 28 SER N . 28071 1 134 . 1 . 1 29 29 PHE H H 1 8.043 0.005 . 1 . . 357 . . 29 PHE H . 28071 1 135 . 1 . 1 29 29 PHE C C 13 170.764 . . 1 . . 853 . . 29 PHE C . 28071 1 136 . 1 . 1 29 29 PHE CA C 13 55.843 0.012 . 1 . . 679 . . 29 PHE CA . 28071 1 137 . 1 . 1 29 29 PHE CB C 13 44.364 0.02 . 1 . . 680 . . 29 PHE CB . 28071 1 138 . 1 . 1 29 29 PHE N N 15 116.381 0.011 . 1 . . 358 . . 29 PHE N . 28071 1 139 . 1 . 1 30 30 LEU H H 1 9.258 0.003 . 1 . . 139 . . 30 LEU H . 28071 1 140 . 1 . 1 30 30 LEU C C 13 174.593 . . 1 . . 854 . . 30 LEU C . 28071 1 141 . 1 . 1 30 30 LEU CA C 13 54.388 0.01 . 1 . . 681 . . 30 LEU CA . 28071 1 142 . 1 . 1 30 30 LEU CB C 13 44.740 0.038 . 1 . . 682 . . 30 LEU CB . 28071 1 143 . 1 . 1 30 30 LEU N N 15 114.782 0.006 . 1 . . 140 . . 30 LEU N . 28071 1 144 . 1 . 1 31 31 ALA H H 1 9.685 0.002 . 1 . . 11 . . 31 ALA H . 28071 1 145 . 1 . 1 31 31 ALA C C 13 174.449 . . 1 . . 855 . . 31 ALA C . 28071 1 146 . 1 . 1 31 31 ALA CA C 13 50.096 0.004 . 1 . . 683 . . 31 ALA CA . 28071 1 147 . 1 . 1 31 31 ALA CB C 13 23.721 0.057 . 1 . . 684 . . 31 ALA CB . 28071 1 148 . 1 . 1 31 31 ALA N N 15 121.857 0.006 . 1 . . 12 . . 31 ALA N . 28071 1 149 . 1 . 1 32 32 ARG H H 1 9.151 0.003 . 1 . . 135 . . 32 ARG H . 28071 1 150 . 1 . 1 32 32 ARG CA C 13 53.350 . . 1 . . 685 . . 32 ARG CA . 28071 1 151 . 1 . 1 32 32 ARG N N 15 116.891 0.004 . 1 . . 136 . . 32 ARG N . 28071 1 152 . 1 . 1 38 38 PRO C C 13 177.167 . . 1 . . 856 . . 38 PRO C . 28071 1 153 . 1 . 1 38 38 PRO CA C 13 64.323 0.001 . 1 . . 687 . . 38 PRO CA . 28071 1 154 . 1 . 1 38 38 PRO CB C 13 31.834 0.007 . 1 . . 688 . . 38 PRO CB . 28071 1 155 . 1 . 1 39 39 GLY H H 1 8.580 0.003 . 1 . . 116 . . 39 GLY H . 28071 1 156 . 1 . 1 39 39 GLY C C 13 173.435 . . 1 . . 857 . . 39 GLY C . 28071 1 157 . 1 . 1 39 39 GLY CA C 13 45.384 0.008 . 1 . . 686 . . 39 GLY CA . 28071 1 158 . 1 . 1 39 39 GLY N N 15 112.404 0.02 . 1 . . 117 . . 39 GLY N . 28071 1 159 . 1 . 1 40 40 ASP H H 1 7.697 0.001 . 1 . . 353 . . 40 ASP H . 28071 1 160 . 1 . 1 40 40 ASP C C 13 176.332 . . 1 . . 858 . . 40 ASP C . 28071 1 161 . 1 . 1 40 40 ASP CA C 13 53.559 0.011 . 1 . . 689 . . 40 ASP CA . 28071 1 162 . 1 . 1 40 40 ASP CB C 13 42.070 0.009 . 1 . . 690 . . 40 ASP CB . 28071 1 163 . 1 . 1 40 40 ASP N N 15 119.498 0.009 . 1 . . 354 . . 40 ASP N . 28071 1 164 . 1 . 1 41 41 PHE H H 1 8.980 0.003 . 1 . . 163 . . 41 PHE H . 28071 1 165 . 1 . 1 41 41 PHE C C 13 174.366 . . 1 . . 859 . . 41 PHE C . 28071 1 166 . 1 . 1 41 41 PHE CA C 13 57.249 0.009 . 1 . . 691 . . 41 PHE CA . 28071 1 167 . 1 . 1 41 41 PHE CB C 13 44.535 0.051 . 1 . . 692 . . 41 PHE CB . 28071 1 168 . 1 . 1 41 41 PHE N N 15 117.994 0.014 . 1 . . 164 . . 41 PHE N . 28071 1 169 . 1 . 1 42 42 THR H H 1 9.513 0.003 . 1 . . 292 . . 42 THR H . 28071 1 170 . 1 . 1 42 42 THR C C 13 172.906 . . 1 . . 860 . . 42 THR C . 28071 1 171 . 1 . 1 42 42 THR CA C 13 62.308 0.004 . 1 . . 693 . . 42 THR CA . 28071 1 172 . 1 . 1 42 42 THR CB C 13 72.534 0.015 . 1 . . 694 . . 42 THR CB . 28071 1 173 . 1 . 1 42 42 THR N N 15 117.620 0.043 . 1 . . 293 . . 42 THR N . 28071 1 174 . 1 . 1 43 43 LEU H H 1 9.583 0.004 . 1 . . 200 . . 43 LEU H . 28071 1 175 . 1 . 1 43 43 LEU C C 13 175.357 . . 1 . . 861 . . 43 LEU C . 28071 1 176 . 1 . 1 43 43 LEU CA C 13 53.454 0.036 . 1 . . 695 . . 43 LEU CA . 28071 1 177 . 1 . 1 43 43 LEU CB C 13 44.772 0.059 . 1 . . 696 . . 43 LEU CB . 28071 1 178 . 1 . 1 43 43 LEU N N 15 128.409 0.014 . 1 . . 201 . . 43 LEU N . 28071 1 179 . 1 . 1 44 44 SER H H 1 9.400 0.002 . 1 . . 343 . . 44 SER H . 28071 1 180 . 1 . 1 44 44 SER C C 13 172.363 . . 1 . . 862 . . 44 SER C . 28071 1 181 . 1 . 1 44 44 SER CA C 13 58.925 0.011 . 1 . . 697 . . 44 SER CA . 28071 1 182 . 1 . 1 44 44 SER CB C 13 65.024 0.022 . 1 . . 698 . . 44 SER CB . 28071 1 183 . 1 . 1 44 44 SER N N 15 123.867 0.031 . 1 . . 344 . . 44 SER N . 28071 1 184 . 1 . 1 45 45 VAL H H 1 8.999 0.001 . 1 . . 207 . . 45 VAL H . 28071 1 185 . 1 . 1 45 45 VAL C C 13 174.066 . . 1 . . 863 . . 45 VAL C . 28071 1 186 . 1 . 1 45 45 VAL CA C 13 59.973 0.019 . 1 . . 699 . . 45 VAL CA . 28071 1 187 . 1 . 1 45 45 VAL CB C 13 35.861 0.068 . 1 . . 700 . . 45 VAL CB . 28071 1 188 . 1 . 1 45 45 VAL N N 15 123.498 0.01 . 1 . . 208 . . 45 VAL N . 28071 1 189 . 1 . 1 46 46 ARG H H 1 9.128 0.004 . 1 . . 169 . . 46 ARG H . 28071 1 190 . 1 . 1 46 46 ARG C C 13 175.451 . . 1 . . 864 . . 46 ARG C . 28071 1 191 . 1 . 1 46 46 ARG CA C 13 54.662 0.016 . 1 . . 701 . . 46 ARG CA . 28071 1 192 . 1 . 1 46 46 ARG CB C 13 31.967 0.148 . 1 . . 702 . . 46 ARG CB . 28071 1 193 . 1 . 1 46 46 ARG N N 15 127.194 0.009 . 1 . . 170 . . 46 ARG N . 28071 1 194 . 1 . 1 47 47 ARG H H 1 9.443 0.004 . 1 . . 347 . . 47 ARG H . 28071 1 195 . 1 . 1 47 47 ARG C C 13 174.912 . . 1 . . 865 . . 47 ARG C . 28071 1 196 . 1 . 1 47 47 ARG CA C 13 55.576 0.017 . 1 . . 703 . . 47 ARG CA . 28071 1 197 . 1 . 1 47 47 ARG CB C 13 32.371 0.069 . 1 . . 704 . . 47 ARG CB . 28071 1 198 . 1 . 1 47 47 ARG N N 15 130.920 0.009 . 1 . . 348 . . 47 ARG N . 28071 1 199 . 1 . 1 48 48 ASN H H 1 9.322 0.002 . 1 . . 311 . . 48 ASN H . 28071 1 200 . 1 . 1 48 48 ASN C C 13 175.497 . . 1 . . 866 . . 48 ASN C . 28071 1 201 . 1 . 1 48 48 ASN CA C 13 54.440 0.008 . 1 . . 705 . . 48 ASN CA . 28071 1 202 . 1 . 1 48 48 ASN CB C 13 37.439 0.035 . 1 . . 706 . . 48 ASN CB . 28071 1 203 . 1 . 1 48 48 ASN N N 15 125.458 0.043 . 1 . . 312 . . 48 ASN N . 28071 1 204 . 1 . 1 49 49 GLY H H 1 9.588 0.002 . 1 . . 284 . . 49 GLY H . 28071 1 205 . 1 . 1 49 49 GLY C C 13 172.238 . . 1 . . 867 . . 49 GLY C . 28071 1 206 . 1 . 1 49 49 GLY CA C 13 46.065 0.023 . 1 . . 707 . . 49 GLY CA . 28071 1 207 . 1 . 1 49 49 GLY N N 15 106.036 0.02 . 1 . . 285 . . 49 GLY N . 28071 1 208 . 1 . 1 50 50 ALA H H 1 7.981 0.001 . 1 . . 335 . . 50 ALA H . 28071 1 209 . 1 . 1 50 50 ALA C C 13 175.083 . . 1 . . 868 . . 50 ALA C . 28071 1 210 . 1 . 1 50 50 ALA CA C 13 50.431 0.009 . 1 . . 708 . . 50 ALA CA . 28071 1 211 . 1 . 1 50 50 ALA CB C 13 22.199 0.008 . 1 . . 709 . . 50 ALA CB . 28071 1 212 . 1 . 1 50 50 ALA N N 15 122.736 0.024 . 1 . . 336 . . 50 ALA N . 28071 1 213 . 1 . 1 51 51 VAL H H 1 8.674 0.001 . 1 . . 92 . . 51 VAL H . 28071 1 214 . 1 . 1 51 51 VAL C C 13 174.861 . . 1 . . 869 . . 51 VAL C . 28071 1 215 . 1 . 1 51 51 VAL CA C 13 61.307 0.004 . 1 . . 710 . . 51 VAL CA . 28071 1 216 . 1 . 1 51 51 VAL CB C 13 34.031 0.074 . 1 . . 711 . . 51 VAL CB . 28071 1 217 . 1 . 1 51 51 VAL N N 15 119.791 0.014 . 1 . . 93 . . 51 VAL N . 28071 1 218 . 1 . 1 52 52 THR H H 1 8.940 0.005 . 1 . . 245 . . 52 THR H . 28071 1 219 . 1 . 1 52 52 THR C C 13 171.298 . . 1 . . 870 . . 52 THR C . 28071 1 220 . 1 . 1 52 52 THR CA C 13 60.343 0.012 . 1 . . 712 . . 52 THR CA . 28071 1 221 . 1 . 1 52 52 THR CB C 13 71.318 0.044 . 1 . . 713 . . 52 THR CB . 28071 1 222 . 1 . 1 52 52 THR N N 15 124.517 0.011 . 1 . . 246 . . 52 THR N . 28071 1 223 . 1 . 1 53 53 HIS H H 1 8.511 0.001 . 1 . . 294 . . 53 HIS H . 28071 1 224 . 1 . 1 53 53 HIS C C 13 175.368 . . 1 . . 871 . . 53 HIS C . 28071 1 225 . 1 . 1 53 53 HIS CA C 13 54.709 0.017 . 1 . . 714 . . 53 HIS CA . 28071 1 226 . 1 . 1 53 53 HIS CB C 13 32.376 0.105 . 1 . . 715 . . 53 HIS CB . 28071 1 227 . 1 . 1 53 53 HIS N N 15 125.505 0.012 . 1 . . 295 . . 53 HIS N . 28071 1 228 . 1 . 1 54 54 ILE H H 1 9.827 0.002 . 1 . . 345 . . 54 ILE H . 28071 1 229 . 1 . 1 54 54 ILE C C 13 175.053 . . 1 . . 872 . . 54 ILE C . 28071 1 230 . 1 . 1 54 54 ILE CA C 13 60.406 0.004 . 1 . . 716 . . 54 ILE CA . 28071 1 231 . 1 . 1 54 54 ILE CB C 13 40.900 0.057 . 1 . . 717 . . 54 ILE CB . 28071 1 232 . 1 . 1 54 54 ILE N N 15 127.205 0.031 . 1 . . 346 . . 54 ILE N . 28071 1 233 . 1 . 1 55 55 LYS H H 1 8.660 0.002 . 1 . . 221 . . 55 LYS H . 28071 1 234 . 1 . 1 55 55 LYS C C 13 175.335 . . 1 . . 873 . . 55 LYS C . 28071 1 235 . 1 . 1 55 55 LYS CA C 13 58.116 0.033 . 1 . . 719 . . 55 LYS CA . 28071 1 236 . 1 . 1 55 55 LYS CB C 13 33.255 0.049 . 1 . . 718 . . 55 LYS CB . 28071 1 237 . 1 . 1 55 55 LYS N N 15 128.293 0.019 . 1 . . 222 . . 55 LYS N . 28071 1 238 . 1 . 1 56 56 ILE H H 1 8.643 0.001 . 1 . . 224 . . 56 ILE H . 28071 1 239 . 1 . 1 56 56 ILE C C 13 175.523 . . 1 . . 874 . . 56 ILE C . 28071 1 240 . 1 . 1 56 56 ILE CA C 13 60.311 0.014 . 1 . . 720 . . 56 ILE CA . 28071 1 241 . 1 . 1 56 56 ILE CB C 13 39.777 0.021 . 1 . . 721 . . 56 ILE CB . 28071 1 242 . 1 . 1 56 56 ILE N N 15 123.368 0.01 . 1 . . 225 . . 56 ILE N . 28071 1 243 . 1 . 1 57 57 GLN H H 1 8.870 0.005 . 1 . . 327 . . 57 GLN H . 28071 1 244 . 1 . 1 57 57 GLN C C 13 174.545 . . 1 . . 875 . . 57 GLN C . 28071 1 245 . 1 . 1 57 57 GLN CA C 13 55.496 0.019 . 1 . . 722 . . 57 GLN CA . 28071 1 246 . 1 . 1 57 57 GLN CB C 13 29.246 0.029 . 1 . . 723 . . 57 GLN CB . 28071 1 247 . 1 . 1 57 57 GLN N N 15 128.866 0.009 . 1 . . 328 . . 57 GLN N . 28071 1 248 . 1 . 1 58 58 ASN H H 1 8.631 0.007 . 1 . . 371 . . 58 ASN H . 28071 1 249 . 1 . 1 58 58 ASN C C 13 176.058 . . 1 . . 876 . . 58 ASN C . 28071 1 250 . 1 . 1 58 58 ASN CA C 13 51.172 0.008 . 1 . . 724 . . 58 ASN CA . 28071 1 251 . 1 . 1 58 58 ASN CB C 13 40.060 0.037 . 1 . . 725 . . 58 ASN CB . 28071 1 252 . 1 . 1 58 58 ASN N N 15 123.004 0.047 . 1 . . 372 . . 58 ASN N . 28071 1 253 . 1 . 1 59 59 THR H H 1 8.328 0.004 . 1 . . 365 . . 59 THR H . 28071 1 254 . 1 . 1 59 59 THR C C 13 175.080 . . 1 . . 877 . . 59 THR C . 28071 1 255 . 1 . 1 59 59 THR CA C 13 61.314 0.004 . 1 . . 726 . . 59 THR CA . 28071 1 256 . 1 . 1 59 59 THR CB C 13 69.806 0.004 . 1 . . 727 . . 59 THR CB . 28071 1 257 . 1 . 1 59 59 THR N N 15 116.939 0.027 . 1 . . 366 . . 59 THR N . 28071 1 258 . 1 . 1 60 60 GLY H H 1 8.276 0.001 . 1 . . 17 . . 60 GLY H . 28071 1 259 . 1 . 1 60 60 GLY C C 13 173.945 . . 1 . . 878 . . 60 GLY C . 28071 1 260 . 1 . 1 60 60 GLY CA C 13 46.122 0.018 . 1 . . 728 . . 60 GLY CA . 28071 1 261 . 1 . 1 60 60 GLY N N 15 114.051 0.024 . 1 . . 18 . . 60 GLY N . 28071 1 262 . 1 . 1 61 61 ASP H H 1 7.764 0.001 . 1 . . 83 . . 61 ASP H . 28071 1 263 . 1 . 1 61 61 ASP C C 13 174.719 . . 1 . . 879 . . 61 ASP C . 28071 1 264 . 1 . 1 61 61 ASP CA C 13 54.721 0.006 . 1 . . 729 . . 61 ASP CA . 28071 1 265 . 1 . 1 61 61 ASP CB C 13 42.128 0.07 . 1 . . 730 . . 61 ASP CB . 28071 1 266 . 1 . 1 61 61 ASP N N 15 118.655 0.028 . 1 . . 84 . . 61 ASP N . 28071 1 267 . 1 . 1 62 62 TYR H H 1 7.248 0.001 . 1 . . 120 . . 62 TYR H . 28071 1 268 . 1 . 1 62 62 TYR C C 13 173.042 . . 1 . . 880 . . 62 TYR C . 28071 1 269 . 1 . 1 62 62 TYR CA C 13 56.731 0.003 . 1 . . 731 . . 62 TYR CA . 28071 1 270 . 1 . 1 62 62 TYR CB C 13 40.884 0.008 . 1 . . 732 . . 62 TYR CB . 28071 1 271 . 1 . 1 62 62 TYR N N 15 114.438 0.016 . 1 . . 121 . . 62 TYR N . 28071 1 272 . 1 . 1 63 63 TYR H H 1 9.619 0.002 . 1 . . 145 . . 63 TYR H . 28071 1 273 . 1 . 1 63 63 TYR C C 13 175.597 . . 1 . . 881 . . 63 TYR C . 28071 1 274 . 1 . 1 63 63 TYR CA C 13 56.539 0.036 . 1 . . 733 . . 63 TYR CA . 28071 1 275 . 1 . 1 63 63 TYR CB C 13 41.818 0.048 . 1 . . 734 . . 63 TYR CB . 28071 1 276 . 1 . 1 63 63 TYR N N 15 118.513 0.006 . 1 . . 146 . . 63 TYR N . 28071 1 277 . 1 . 1 64 64 ASP H H 1 9.132 0.002 . 1 . . 243 . . 64 ASP H . 28071 1 278 . 1 . 1 64 64 ASP C C 13 174.430 . . 1 . . 953 . . 64 ASP C . 28071 1 279 . 1 . 1 64 64 ASP CA C 13 53.714 0.01 . 1 . . 738 . . 64 ASP CA . 28071 1 280 . 1 . 1 64 64 ASP CB C 13 43.851 0.041 . 1 . . 736 . . 64 ASP CB . 28071 1 281 . 1 . 1 64 64 ASP N N 15 120.392 0.019 . 1 . . 244 . . 64 ASP N . 28071 1 282 . 1 . 1 65 65 LEU H H 1 8.200 0.003 . 1 . . 418 . . 65 LEU H . 28071 1 283 . 1 . 1 65 65 LEU C C 13 178.052 . . 1 . . 882 . . 65 LEU C . 28071 1 284 . 1 . 1 65 65 LEU CA C 13 53.624 0.06 . 1 . . 735 . . 65 LEU CA . 28071 1 285 . 1 . 1 65 65 LEU N N 15 118.751 0.027 . 1 . . 419 . . 65 LEU N . 28071 1 286 . 1 . 1 66 66 TYR H H 1 8.624 0.004 . 1 . . 407 . . 66 TYR H . 28071 1 287 . 1 . 1 66 66 TYR C C 13 176.077 . . 1 . . 883 . . 66 TYR C . 28071 1 288 . 1 . 1 66 66 TYR CA C 13 59.990 0.015 . 1 . . 737 . . 66 TYR CA . 28071 1 289 . 1 . 1 66 66 TYR CB C 13 35.409 0.047 . 1 . . 739 . . 66 TYR CB . 28071 1 290 . 1 . 1 66 66 TYR N N 15 118.812 0.015 . 1 . . 408 . . 66 TYR N . 28071 1 291 . 1 . 1 67 67 GLY H H 1 7.680 0.004 . 1 . . 179 . . 67 GLY H . 28071 1 292 . 1 . 1 67 67 GLY C C 13 174.553 . . 1 . . 884 . . 67 GLY C . 28071 1 293 . 1 . 1 67 67 GLY CA C 13 44.779 0.008 . 1 . . 740 . . 67 GLY CA . 28071 1 294 . 1 . 1 67 67 GLY N N 15 107.545 0.025 . 1 . . 180 . . 67 GLY N . 28071 1 295 . 1 . 1 68 68 GLY H H 1 8.357 0.002 . 1 . . 260 . . 68 GLY H . 28071 1 296 . 1 . 1 68 68 GLY C C 13 174.076 . . 1 . . 885 . . 68 GLY C . 28071 1 297 . 1 . 1 68 68 GLY CA C 13 44.883 0.034 . 1 . . 741 . . 68 GLY CA . 28071 1 298 . 1 . 1 68 68 GLY N N 15 107.770 0.007 . 1 . . 261 . . 68 GLY N . 28071 1 299 . 1 . 1 69 69 GLU H H 1 8.225 0.001 . 1 . . 81 . . 69 GLU H . 28071 1 300 . 1 . 1 69 69 GLU C C 13 174.158 . . 1 . . 886 . . 69 GLU C . 28071 1 301 . 1 . 1 69 69 GLU CA C 13 56.841 0.004 . 1 . . 742 . . 69 GLU CA . 28071 1 302 . 1 . 1 69 69 GLU CB C 13 30.101 0.004 . 1 . . 743 . . 69 GLU CB . 28071 1 303 . 1 . 1 69 69 GLU N N 15 122.220 0.03 . 1 . . 82 . . 69 GLU N . 28071 1 304 . 1 . 1 70 70 LYS H H 1 7.705 0.001 . 1 . . 379 . . 70 LYS H . 28071 1 305 . 1 . 1 70 70 LYS C C 13 176.449 . . 1 . . 887 . . 70 LYS C . 28071 1 306 . 1 . 1 70 70 LYS CA C 13 54.964 0.009 . 1 . . 744 . . 70 LYS CA . 28071 1 307 . 1 . 1 70 70 LYS CB C 13 34.736 0.045 . 1 . . 745 . . 70 LYS CB . 28071 1 308 . 1 . 1 70 70 LYS N N 15 118.540 0.029 . 1 . . 380 . . 70 LYS N . 28071 1 309 . 1 . 1 71 71 PHE H H 1 9.139 0.003 . 1 . . 98 . . 71 PHE H . 28071 1 310 . 1 . 1 71 71 PHE C C 13 176.054 . . 1 . . 888 . . 71 PHE C . 28071 1 311 . 1 . 1 71 71 PHE CA C 13 57.207 0.003 . 1 . . 746 . . 71 PHE CA . 28071 1 312 . 1 . 1 71 71 PHE CB C 13 44.023 0.033 . 1 . . 747 . . 71 PHE CB . 28071 1 313 . 1 . 1 71 71 PHE N N 15 118.211 0.016 . 1 . . 99 . . 71 PHE N . 28071 1 314 . 1 . 1 72 72 ALA H H 1 9.452 0.002 . 1 . . 194 . . 72 ALA H . 28071 1 315 . 1 . 1 72 72 ALA C C 13 178.000 . . 1 . . 889 . . 72 ALA C . 28071 1 316 . 1 . 1 72 72 ALA CA C 13 54.512 0.003 . 1 . . 748 . . 72 ALA CA . 28071 1 317 . 1 . 1 72 72 ALA CB C 13 19.948 0.013 . 1 . . 749 . . 72 ALA CB . 28071 1 318 . 1 . 1 72 72 ALA N N 15 123.556 0.024 . 1 . . 195 . . 72 ALA N . 28071 1 319 . 1 . 1 73 73 THR H H 1 7.188 0.001 . 1 . . 251 . . 73 THR H . 28071 1 320 . 1 . 1 73 73 THR C C 13 173.817 . . 1 . . 890 . . 73 THR C . 28071 1 321 . 1 . 1 73 73 THR CA C 13 58.784 0.007 . 1 . . 750 . . 73 THR CA . 28071 1 322 . 1 . 1 73 73 THR CB C 13 73.686 0.045 . 1 . . 751 . . 73 THR CB . 28071 1 323 . 1 . 1 73 73 THR N N 15 101.473 0.014 . 1 . . 252 . . 73 THR N . 28071 1 324 . 1 . 1 74 74 LEU H H 1 8.017 0.005 . 1 . . 361 . . 74 LEU H . 28071 1 325 . 1 . 1 74 74 LEU C C 13 178.192 . . 1 . . 891 . . 74 LEU C . 28071 1 326 . 1 . 1 74 74 LEU CA C 13 57.030 0.01 . 1 . . 752 . . 74 LEU CA . 28071 1 327 . 1 . 1 74 74 LEU CB C 13 40.974 0.014 . 1 . . 753 . . 74 LEU CB . 28071 1 328 . 1 . 1 74 74 LEU N N 15 122.289 0.002 . 1 . . 362 . . 74 LEU N . 28071 1 329 . 1 . 1 75 75 ALA H H 1 8.436 0.002 . 1 . . 209 . . 75 ALA H . 28071 1 330 . 1 . 1 75 75 ALA C C 13 179.705 . . 1 . . 892 . . 75 ALA C . 28071 1 331 . 1 . 1 75 75 ALA CA C 13 55.510 0.019 . 1 . . 754 . . 75 ALA CA . 28071 1 332 . 1 . 1 75 75 ALA CB C 13 18.132 0.023 . 1 . . 755 . . 75 ALA CB . 28071 1 333 . 1 . 1 75 75 ALA N N 15 118.874 0.018 . 1 . . 210 . . 75 ALA N . 28071 1 334 . 1 . 1 76 76 GLU H H 1 7.814 0.002 . 1 . . 337 . . 76 GLU H . 28071 1 335 . 1 . 1 76 76 GLU C C 13 177.915 . . 1 . . 893 . . 76 GLU C . 28071 1 336 . 1 . 1 76 76 GLU CA C 13 59.451 0.006 . 1 . . 756 . . 76 GLU CA . 28071 1 337 . 1 . 1 76 76 GLU CB C 13 31.012 0.026 . 1 . . 757 . . 76 GLU CB . 28071 1 338 . 1 . 1 76 76 GLU N N 15 117.145 0.024 . 1 . . 338 . . 76 GLU N . 28071 1 339 . 1 . 1 77 77 LEU H H 1 6.972 0.001 . 1 . . 7 . . 77 LEU H . 28071 1 340 . 1 . 1 77 77 LEU C C 13 177.311 . . 1 . . 894 . . 77 LEU C . 28071 1 341 . 1 . 1 77 77 LEU CA C 13 58.722 0.018 . 1 . . 758 . . 77 LEU CA . 28071 1 342 . 1 . 1 77 77 LEU CB C 13 41.839 0.061 . 1 . . 759 . . 77 LEU CB . 28071 1 343 . 1 . 1 77 77 LEU N N 15 122.615 0.005 . 1 . . 8 . . 77 LEU N . 28071 1 344 . 1 . 1 78 78 VAL H H 1 7.919 0.003 . 1 . . 27 . . 78 VAL H . 28071 1 345 . 1 . 1 78 78 VAL C C 13 177.282 . . 1 . . 895 . . 78 VAL C . 28071 1 346 . 1 . 1 78 78 VAL CA C 13 67.393 0.006 . 1 . . 760 . . 78 VAL CA . 28071 1 347 . 1 . 1 78 78 VAL CB C 13 31.513 0.021 . 1 . . 761 . . 78 VAL CB . 28071 1 348 . 1 . 1 78 78 VAL N N 15 118.739 0.016 . 1 . . 28 . . 78 VAL N . 28071 1 349 . 1 . 1 79 79 GLN H H 1 8.052 0.002 . 1 . . 154 . . 79 GLN H . 28071 1 350 . 1 . 1 79 79 GLN C C 13 177.772 . . 1 . . 896 . . 79 GLN C . 28071 1 351 . 1 . 1 79 79 GLN CA C 13 59.138 0.012 . 1 . . 762 . . 79 GLN CA . 28071 1 352 . 1 . 1 79 79 GLN CB C 13 28.132 0.079 . 1 . . 763 . . 79 GLN CB . 28071 1 353 . 1 . 1 79 79 GLN N N 15 117.486 0.01 . 1 . . 155 . . 79 GLN N . 28071 1 354 . 1 . 1 80 80 TYR H H 1 7.857 0.001 . 1 . . 274 . . 80 TYR H . 28071 1 355 . 1 . 1 80 80 TYR CA C 13 62.250 . . 1 . . 764 . . 80 TYR CA . 28071 1 356 . 1 . 1 80 80 TYR CB C 13 38.885 . . 1 . . 765 . . 80 TYR CB . 28071 1 357 . 1 . 1 80 80 TYR N N 15 118.401 0.012 . 1 . . 275 . . 80 TYR N . 28071 1 358 . 1 . 1 86 86 GLY C C 13 174.129 . . 1 . . 952 . . 86 GLY C . 28071 1 359 . 1 . 1 86 86 GLY CA C 13 45.503 . . 1 . . 950 . . 86 GLY CA . 28071 1 360 . 1 . 1 87 87 GLN H H 1 8.004 0.006 . 1 . . 386 . . 87 GLN H . 28071 1 361 . 1 . 1 87 87 GLN C C 13 175.423 . . 1 . . 897 . . 87 GLN C . 28071 1 362 . 1 . 1 87 87 GLN CA C 13 56.322 0.008 . 1 . . 769 . . 87 GLN CA . 28071 1 363 . 1 . 1 87 87 GLN CB C 13 29.652 . . 1 . . 770 . . 87 GLN CB . 28071 1 364 . 1 . 1 87 87 GLN N N 15 116.137 0.005 . 1 . . 385 . . 87 GLN N . 28071 1 365 . 1 . 1 88 88 LEU H H 1 8.522 0.001 . 1 . . 264 . . 88 LEU H . 28071 1 366 . 1 . 1 88 88 LEU C C 13 174.451 . . 1 . . 898 . . 88 LEU C . 28071 1 367 . 1 . 1 88 88 LEU CA C 13 54.734 0.027 . 1 . . 766 . . 88 LEU CA . 28071 1 368 . 1 . 1 88 88 LEU CB C 13 41.317 0.088 . 1 . . 945 . . 88 LEU CB . 28071 1 369 . 1 . 1 88 88 LEU N N 15 124.454 0.014 . 1 . . 265 . . 88 LEU N . 28071 1 370 . 1 . 1 89 89 LYS H H 1 8.092 0.003 . 1 . . 181 . . 89 LYS H . 28071 1 371 . 1 . 1 89 89 LYS C C 13 176.984 . . 1 . . 899 . . 89 LYS C . 28071 1 372 . 1 . 1 89 89 LYS CA C 13 54.501 0.04 . 1 . . 767 . . 89 LYS CA . 28071 1 373 . 1 . 1 89 89 LYS CB C 13 36.842 0.048 . 1 . . 768 . . 89 LYS CB . 28071 1 374 . 1 . 1 89 89 LYS N N 15 123.824 0.019 . 1 . . 182 . . 89 LYS N . 28071 1 375 . 1 . 1 90 90 GLU H H 1 8.759 0.001 . 1 . . 96 . . 90 GLU H . 28071 1 376 . 1 . 1 90 90 GLU C C 13 178.607 . . 1 . . 900 . . 90 GLU C . 28071 1 377 . 1 . 1 90 90 GLU CA C 13 55.490 0.006 . 1 . . 771 . . 90 GLU CA . 28071 1 378 . 1 . 1 90 90 GLU CB C 13 31.369 0.027 . 1 . . 772 . . 90 GLU CB . 28071 1 379 . 1 . 1 90 90 GLU N N 15 120.125 0.015 . 1 . . 97 . . 90 GLU N . 28071 1 380 . 1 . 1 91 91 LYS H H 1 9.024 0.001 . 1 . . 290 . . 91 LYS H . 28071 1 381 . 1 . 1 91 91 LYS C C 13 177.306 . . 1 . . 901 . . 91 LYS C . 28071 1 382 . 1 . 1 91 91 LYS CA C 13 59.290 0.012 . 1 . . 773 . . 91 LYS CA . 28071 1 383 . 1 . 1 91 91 LYS CB C 13 31.968 0.037 . 1 . . 774 . . 91 LYS CB . 28071 1 384 . 1 . 1 91 91 LYS N N 15 123.006 0.004 . 1 . . 291 . . 91 LYS N . 28071 1 385 . 1 . 1 92 92 ASN H H 1 8.006 0.002 . 1 . . 143 . . 92 ASN H . 28071 1 386 . 1 . 1 92 92 ASN C C 13 176.315 . . 1 . . 902 . . 92 ASN C . 28071 1 387 . 1 . 1 92 92 ASN CA C 13 52.970 0.003 . 1 . . 775 . . 92 ASN CA . 28071 1 388 . 1 . 1 92 92 ASN CB C 13 37.612 0.004 . 1 . . 776 . . 92 ASN CB . 28071 1 389 . 1 . 1 92 92 ASN N N 15 115.042 0.013 . 1 . . 144 . . 92 ASN N . 28071 1 390 . 1 . 1 93 93 GLY H H 1 8.132 0.002 . 1 . . 321 . . 93 GLY H . 28071 1 391 . 1 . 1 93 93 GLY C C 13 173.985 . . 1 . . 903 . . 93 GLY C . 28071 1 392 . 1 . 1 93 93 GLY CA C 13 44.971 0.008 . 1 . . 777 . . 93 GLY CA . 28071 1 393 . 1 . 1 93 93 GLY N N 15 108.686 0.037 . 1 . . 322 . . 93 GLY N . 28071 1 394 . 1 . 1 94 94 ASP H H 1 8.080 0.0 . 1 . . 137 . . 94 ASP H . 28071 1 395 . 1 . 1 94 94 ASP C C 13 175.804 . . 1 . . 904 . . 94 ASP C . 28071 1 396 . 1 . 1 94 94 ASP CA C 13 54.920 0.006 . 1 . . 778 . . 94 ASP CA . 28071 1 397 . 1 . 1 94 94 ASP CB C 13 40.540 0.025 . 1 . . 779 . . 94 ASP CB . 28071 1 398 . 1 . 1 94 94 ASP N N 15 121.996 0.005 . 1 . . 138 . . 94 ASP N . 28071 1 399 . 1 . 1 95 95 VAL H H 1 8.345 0.001 . 1 . . 416 . . 95 VAL H . 28071 1 400 . 1 . 1 95 95 VAL C C 13 176.058 . . 1 . . 905 . . 95 VAL C . 28071 1 401 . 1 . 1 95 95 VAL CA C 13 63.127 0.001 . 1 . . 780 . . 95 VAL CA . 28071 1 402 . 1 . 1 95 95 VAL CB C 13 32.897 0.04 . 1 . . 781 . . 95 VAL CB . 28071 1 403 . 1 . 1 95 95 VAL N N 15 121.748 0.007 . 1 . . 417 . . 95 VAL N . 28071 1 404 . 1 . 1 96 96 ILE H H 1 8.515 0.003 . 1 . . 286 . . 96 ILE H . 28071 1 405 . 1 . 1 96 96 ILE C C 13 174.115 . . 1 . . 906 . . 96 ILE C . 28071 1 406 . 1 . 1 96 96 ILE CA C 13 59.824 0.011 . 1 . . 782 . . 96 ILE CA . 28071 1 407 . 1 . 1 96 96 ILE CB C 13 39.024 0.045 . 1 . . 783 . . 96 ILE CB . 28071 1 408 . 1 . 1 96 96 ILE N N 15 127.634 0.01 . 1 . . 287 . . 96 ILE N . 28071 1 409 . 1 . 1 97 97 GLU H H 1 8.196 0.004 . 1 . . 280 . . 97 GLU H . 28071 1 410 . 1 . 1 97 97 GLU C C 13 175.355 . . 1 . . 907 . . 97 GLU C . 28071 1 411 . 1 . 1 97 97 GLU CA C 13 55.120 0.015 . 1 . . 784 . . 97 GLU CA . 28071 1 412 . 1 . 1 97 97 GLU CB C 13 31.694 0.018 . 1 . . 785 . . 97 GLU CB . 28071 1 413 . 1 . 1 97 97 GLU N N 15 124.433 0.018 . 1 . . 281 . . 97 GLU N . 28071 1 414 . 1 . 1 98 98 LEU H H 1 8.610 0.001 . 1 . . 202 . . 98 LEU H . 28071 1 415 . 1 . 1 98 98 LEU C C 13 174.831 . . 1 . . 908 . . 98 LEU C . 28071 1 416 . 1 . 1 98 98 LEU CA C 13 53.200 0.018 . 1 . . 786 . . 98 LEU CA . 28071 1 417 . 1 . 1 98 98 LEU CB C 13 40.191 0.023 . 1 . . 787 . . 98 LEU CB . 28071 1 418 . 1 . 1 98 98 LEU N N 15 124.806 0.009 . 1 . . 203 . . 98 LEU N . 28071 1 419 . 1 . 1 99 99 LYS H H 1 8.228 0.001 . 1 . . 409 . . 99 LYS H . 28071 1 420 . 1 . 1 99 99 LYS C C 13 176.271 . . 1 . . 909 . . 99 LYS C . 28071 1 421 . 1 . 1 99 99 LYS CA C 13 58.399 0.025 . 1 . . 788 . . 99 LYS CA . 28071 1 422 . 1 . 1 99 99 LYS CB C 13 35.024 0.024 . 1 . . 789 . . 99 LYS CB . 28071 1 423 . 1 . 1 99 99 LYS N N 15 120.680 0.009 . 1 . . 410 . . 99 LYS N . 28071 1 424 . 1 . 1 100 100 TYR H H 1 7.797 0.002 . 1 . . 790 . . 100 TYR H . 28071 1 425 . 1 . 1 100 100 TYR CA C 13 52.867 . . 1 . . 792 . . 100 TYR CA . 28071 1 426 . 1 . 1 100 100 TYR CB C 13 40.782 . . 1 . . 793 . . 100 TYR CB . 28071 1 427 . 1 . 1 100 100 TYR N N 15 116.460 0.017 . 1 . . 791 . . 100 TYR N . 28071 1 428 . 1 . 1 101 101 PRO C C 13 176.308 . . 1 . . 954 . . 101 PRO C . 28071 1 429 . 1 . 1 101 101 PRO CA C 13 62.625 0.003 . 1 . . 801 . . 101 PRO CA . 28071 1 430 . 1 . 1 101 101 PRO CB C 13 32.137 0.009 . 1 . . 802 . . 101 PRO CB . 28071 1 431 . 1 . 1 102 102 LEU H H 1 8.709 0.001 . 1 . . 187 . . 102 LEU H . 28071 1 432 . 1 . 1 102 102 LEU C C 13 175.746 . . 1 . . 910 . . 102 LEU C . 28071 1 433 . 1 . 1 102 102 LEU CA C 13 54.517 0.009 . 1 . . 794 . . 102 LEU CA . 28071 1 434 . 1 . 1 102 102 LEU CB C 13 41.794 0.017 . 1 . . 803 . . 102 LEU CB . 28071 1 435 . 1 . 1 102 102 LEU N N 15 128.582 0.016 . 1 . . 188 . . 102 LEU N . 28071 1 436 . 1 . 1 103 103 ASN H H 1 8.601 0.004 . 1 . . 276 . . 103 ASN H . 28071 1 437 . 1 . 1 103 103 ASN C C 13 175.387 . . 1 . . 911 . . 103 ASN C . 28071 1 438 . 1 . 1 103 103 ASN CA C 13 53.662 0.098 . 1 . . 796 . . 103 ASN CA . 28071 1 439 . 1 . 1 103 103 ASN CB C 13 39.100 0.032 . 1 . . 795 . . 103 ASN CB . 28071 1 440 . 1 . 1 103 103 ASN N N 15 125.645 0.033 . 1 . . 277 . . 103 ASN N . 28071 1 441 . 1 . 1 104 104 CYS H H 1 8.693 0.003 . 1 . . 94 . . 104 CYS H . 28071 1 442 . 1 . 1 104 104 CYS C C 13 174.283 . . 1 . . 912 . . 104 CYS C . 28071 1 443 . 1 . 1 104 104 CYS CA C 13 59.059 0.017 . 1 . . 798 . . 104 CYS CA . 28071 1 444 . 1 . 1 104 104 CYS CB C 13 27.439 0.044 . 1 . . 797 . . 104 CYS CB . 28071 1 445 . 1 . 1 104 104 CYS N N 15 122.092 0.023 . 1 . . 95 . . 104 CYS N . 28071 1 446 . 1 . 1 105 105 ALA H H 1 8.779 0.001 . 1 . . 323 . . 105 ALA H . 28071 1 447 . 1 . 1 105 105 ALA C C 13 176.905 . . 1 . . 913 . . 105 ALA C . 28071 1 448 . 1 . 1 105 105 ALA CA C 13 52.287 0.051 . 1 . . 800 . . 105 ALA CA . 28071 1 449 . 1 . 1 105 105 ALA CB C 13 19.478 0.034 . 1 . . 799 . . 105 ALA CB . 28071 1 450 . 1 . 1 105 105 ALA N N 15 130.022 0.017 . 1 . . 324 . . 105 ALA N . 28071 1 451 . 1 . 1 106 106 ASP H H 1 8.071 0.001 . 1 . . 37 . . 106 ASP H . 28071 1 452 . 1 . 1 106 106 ASP CA C 13 54.929 . . 1 . . 804 . . 106 ASP CA . 28071 1 453 . 1 . 1 106 106 ASP CB C 13 41.142 . . 1 . . 805 . . 106 ASP CB . 28071 1 454 . 1 . 1 106 106 ASP N N 15 121.757 0.01 . 1 . . 22 . . 106 ASP N . 28071 1 455 . 1 . 1 107 107 PRO C C 13 176.095 . . 1 . . 914 . . 107 PRO C . 28071 1 456 . 1 . 1 107 107 PRO CA C 13 63.815 0.014 . 1 . . 808 . . 107 PRO CA . 28071 1 457 . 1 . 1 107 107 PRO CB C 13 31.562 0.036 . 1 . . 809 . . 107 PRO CB . 28071 1 458 . 1 . 1 108 108 THR H H 1 7.428 0.003 . 1 . . 85 . . 108 THR H . 28071 1 459 . 1 . 1 108 108 THR C C 13 173.813 . . 1 . . 915 . . 108 THR C . 28071 1 460 . 1 . 1 108 108 THR CA C 13 62.521 0.018 . 1 . . 807 . . 108 THR CA . 28071 1 461 . 1 . 1 108 108 THR CB C 13 68.476 0.012 . 1 . . 806 . . 108 THR CB . 28071 1 462 . 1 . 1 108 108 THR N N 15 110.380 0.03 . 1 . . 86 . . 108 THR N . 28071 1 463 . 1 . 1 109 109 SER H H 1 7.973 0.002 . 1 . . 217 . . 109 SER H . 28071 1 464 . 1 . 1 109 109 SER C C 13 174.590 . . 1 . . 916 . . 109 SER C . 28071 1 465 . 1 . 1 109 109 SER CA C 13 58.485 0.024 . 1 . . 810 . . 109 SER CA . 28071 1 466 . 1 . 1 109 109 SER CB C 13 63.707 0.001 . 1 . . 811 . . 109 SER CB . 28071 1 467 . 1 . 1 109 109 SER N N 15 116.880 0.026 . 1 . . 218 . . 109 SER N . 28071 1 468 . 1 . 1 110 110 GLU H H 1 7.658 0.002 . 1 . . 108 . . 110 GLU H . 28071 1 469 . 1 . 1 110 110 GLU C C 13 178.287 . . 1 . . 917 . . 110 GLU C . 28071 1 470 . 1 . 1 110 110 GLU CA C 13 55.482 0.01 . 1 . . 812 . . 110 GLU CA . 28071 1 471 . 1 . 1 110 110 GLU CB C 13 28.058 0.032 . 1 . . 813 . . 110 GLU CB . 28071 1 472 . 1 . 1 110 110 GLU N N 15 122.028 0.013 . 1 . . 109 . . 110 GLU N . 28071 1 473 . 1 . 1 111 111 ARG H H 1 8.891 0.001 . 1 . . 278 . . 111 ARG H . 28071 1 474 . 1 . 1 111 111 ARG C C 13 175.059 . . 1 . . 918 . . 111 ARG C . 28071 1 475 . 1 . 1 111 111 ARG CA C 13 57.589 0.027 . 1 . . 814 . . 111 ARG CA . 28071 1 476 . 1 . 1 111 111 ARG CB C 13 29.669 0.024 . 1 . . 815 . . 111 ARG CB . 28071 1 477 . 1 . 1 111 111 ARG N N 15 120.240 0.01 . 1 . . 279 . . 111 ARG N . 28071 1 478 . 1 . 1 112 112 TRP H H 1 6.336 0.002 . 1 . . 306 . . 112 TRP H . 28071 1 479 . 1 . 1 112 112 TRP C C 13 176.072 . . 1 . . 919 . . 112 TRP C . 28071 1 480 . 1 . 1 112 112 TRP CA C 13 54.296 0.005 . 1 . . 816 . . 112 TRP CA . 28071 1 481 . 1 . 1 112 112 TRP CB C 13 29.389 0.048 . 1 . . 817 . . 112 TRP CB . 28071 1 482 . 1 . 1 112 112 TRP N N 15 109.467 0.015 . 1 . . 307 . . 112 TRP N . 28071 1 483 . 1 . 1 113 113 PHE H H 1 7.678 0.001 . 1 . . 330 . . 113 PHE H . 28071 1 484 . 1 . 1 113 113 PHE C C 13 174.916 . . 1 . . 920 . . 113 PHE C . 28071 1 485 . 1 . 1 113 113 PHE CA C 13 57.786 0.008 . 1 . . 818 . . 113 PHE CA . 28071 1 486 . 1 . 1 113 113 PHE CB C 13 39.416 0.019 . 1 . . 819 . . 113 PHE CB . 28071 1 487 . 1 . 1 113 113 PHE N N 15 123.903 0.012 . 1 . . 331 . . 113 PHE N . 28071 1 488 . 1 . 1 114 114 HIS H H 1 9.044 0.001 . 1 . . 211 . . 114 HIS H . 28071 1 489 . 1 . 1 114 114 HIS CA C 13 56.229 . . 1 . . 820 . . 114 HIS CA . 28071 1 490 . 1 . 1 114 114 HIS CB C 13 33.572 . . 1 . . 821 . . 114 HIS CB . 28071 1 491 . 1 . 1 114 114 HIS N N 15 126.172 0.016 . 1 . . 212 . . 114 HIS N . 28071 1 492 . 1 . 1 115 115 GLY C C 13 174.251 . . 1 . . 921 . . 115 GLY C . 28071 1 493 . 1 . 1 115 115 GLY CA C 13 47.584 0.003 . 1 . . 824 . . 115 GLY CA . 28071 1 494 . 1 . 1 116 116 HIS H H 1 8.844 0.001 . 1 . . 241 . . 116 HIS H . 28071 1 495 . 1 . 1 116 116 HIS C C 13 173.392 . . 1 . . 922 . . 116 HIS C . 28071 1 496 . 1 . 1 116 116 HIS CA C 13 56.114 0.01 . 1 . . 822 . . 116 HIS CA . 28071 1 497 . 1 . 1 116 116 HIS CB C 13 28.151 0.052 . 1 . . 825 . . 116 HIS CB . 28071 1 498 . 1 . 1 116 116 HIS N N 15 125.808 0.016 . 1 . . 242 . . 116 HIS N . 28071 1 499 . 1 . 1 117 117 LEU H H 1 7.530 0.002 . 1 . . 126 . . 117 LEU H . 28071 1 500 . 1 . 1 117 117 LEU C C 13 175.826 . . 1 . . 923 . . 117 LEU C . 28071 1 501 . 1 . 1 117 117 LEU CA C 13 54.790 0.003 . 1 . . 948 . . 117 LEU CA . 28071 1 502 . 1 . 1 117 117 LEU CB C 13 45.190 0.0 . 1 . . 823 . . 117 LEU CB . 28071 1 503 . 1 . 1 117 117 LEU N N 15 126.848 0.022 . 1 . . 127 . . 117 LEU N . 28071 1 504 . 1 . 1 118 118 SER H H 1 9.066 0.001 . 1 . . 167 . . 118 SER H . 28071 1 505 . 1 . 1 118 118 SER C C 13 175.002 . . 1 . . 924 . . 118 SER C . 28071 1 506 . 1 . 1 118 118 SER CA C 13 57.865 0.014 . 1 . . 578 . . 118 SER CA . 28071 1 507 . 1 . 1 118 118 SER CB C 13 65.216 0.008 . 1 . . 579 . . 118 SER CB . 28071 1 508 . 1 . 1 118 118 SER N N 15 123.869 0.015 . 1 . . 168 . . 118 SER N . 28071 1 509 . 1 . 1 119 119 GLY H H 1 8.813 0.001 . 1 . . 53 . . 119 GLY H . 28071 1 510 . 1 . 1 119 119 GLY C C 13 175.917 . . 1 . . 925 . . 119 GLY C . 28071 1 511 . 1 . 1 119 119 GLY CA C 13 47.891 0.012 . 1 . . 574 . . 119 GLY CA . 28071 1 512 . 1 . 1 119 119 GLY N N 15 110.051 0.008 . 1 . . 54 . . 119 GLY N . 28071 1 513 . 1 . 1 120 120 LYS H H 1 8.313 0.001 . 1 . . 432 . . 120 LYS H . 28071 1 514 . 1 . 1 120 120 LYS C C 13 180.014 . . 1 . . 926 . . 120 LYS C . 28071 1 515 . 1 . 1 120 120 LYS CA C 13 58.971 0.084 . 1 . . 576 . . 120 LYS CA . 28071 1 516 . 1 . 1 120 120 LYS CB C 13 32.316 0.004 . 1 . . 575 . . 120 LYS CB . 28071 1 517 . 1 . 1 120 120 LYS N N 15 120.801 0.02 . 1 . . 433 . . 120 LYS N . 28071 1 518 . 1 . 1 121 121 GLU H H 1 7.783 0.001 . 1 . . 436 . . 121 GLU H . 28071 1 519 . 1 . 1 121 121 GLU C C 13 179.445 . . 1 . . 927 . . 121 GLU C . 28071 1 520 . 1 . 1 121 121 GLU CA C 13 59.175 0.103 . 1 . . 580 . . 121 GLU CA . 28071 1 521 . 1 . 1 121 121 GLU CB C 13 29.803 0.026 . 1 . . 577 . . 121 GLU CB . 28071 1 522 . 1 . 1 121 121 GLU N N 15 120.067 0.02 . 1 . . 437 . . 121 GLU N . 28071 1 523 . 1 . 1 122 122 ALA H H 1 8.605 0.001 . 1 . . 160 . . 122 ALA H . 28071 1 524 . 1 . 1 122 122 ALA C C 13 179.001 . . 1 . . 928 . . 122 ALA C . 28071 1 525 . 1 . 1 122 122 ALA CA C 13 55.300 0.011 . 1 . . 581 . . 122 ALA CA . 28071 1 526 . 1 . 1 122 122 ALA CB C 13 18.470 0.015 . 1 . . 582 . . 122 ALA CB . 28071 1 527 . 1 . 1 122 122 ALA N N 15 121.879 0.008 . 1 . . 161 . . 122 ALA N . 28071 1 528 . 1 . 1 123 123 GLU H H 1 8.492 0.002 . 1 . . 426 . . 123 GLU H . 28071 1 529 . 1 . 1 123 123 GLU C C 13 178.886 . . 1 . . 929 . . 123 GLU C . 28071 1 530 . 1 . 1 123 123 GLU CA C 13 60.113 0.033 . 1 . . 586 . . 123 GLU CA . 28071 1 531 . 1 . 1 123 123 GLU CB C 13 28.687 0.025 . 1 . . 584 . . 123 GLU CB . 28071 1 532 . 1 . 1 123 123 GLU N N 15 116.434 0.013 . 1 . . 427 . . 123 GLU N . 28071 1 533 . 1 . 1 124 124 LYS H H 1 7.930 0.001 . 1 . . 349 . . 124 LYS H . 28071 1 534 . 1 . 1 124 124 LYS C C 13 178.107 . . 1 . . 930 . . 124 LYS C . 28071 1 535 . 1 . 1 124 124 LYS CA C 13 60.125 0.072 . 1 . . 583 . . 124 LYS CA . 28071 1 536 . 1 . 1 124 124 LYS CB C 13 32.519 0.022 . 1 . . 585 . . 124 LYS CB . 28071 1 537 . 1 . 1 124 124 LYS N N 15 122.687 0.011 . 1 . . 350 . . 124 LYS N . 28071 1 538 . 1 . 1 125 125 LEU H H 1 8.017 0.001 . 1 . . 131 . . 125 LEU H . 28071 1 539 . 1 . 1 125 125 LEU C C 13 179.598 . . 1 . . 931 . . 125 LEU C . 28071 1 540 . 1 . 1 125 125 LEU CA C 13 58.283 0.06 . 1 . . 587 . . 125 LEU CA . 28071 1 541 . 1 . 1 125 125 LEU CB C 13 42.758 0.009 . 1 . . 946 . . 125 LEU CB . 28071 1 542 . 1 . 1 125 125 LEU N N 15 118.984 0.03 . 1 . . 132 . . 125 LEU N . 28071 1 543 . 1 . 1 126 126 LEU H H 1 8.266 0.003 . 1 . . 288 . . 126 LEU H . 28071 1 544 . 1 . 1 126 126 LEU C C 13 179.671 . . 1 . . 932 . . 126 LEU C . 28071 1 545 . 1 . 1 126 126 LEU CA C 13 57.845 0.06 . 1 . . 588 . . 126 LEU CA . 28071 1 546 . 1 . 1 126 126 LEU CB C 13 42.416 0.146 . 1 . . 949 . . 126 LEU CB . 28071 1 547 . 1 . 1 126 126 LEU N N 15 116.252 0.012 . 1 . . 289 . . 126 LEU N . 28071 1 548 . 1 . 1 127 127 THR H H 1 8.190 0.001 . 1 . . 118 . . 127 THR H . 28071 1 549 . 1 . 1 127 127 THR C C 13 175.245 . . 1 . . 933 . . 127 THR C . 28071 1 550 . 1 . 1 127 127 THR CA C 13 66.442 0.008 . 1 . . 589 . . 127 THR CA . 28071 1 551 . 1 . 1 127 127 THR CB C 13 68.783 0.01 . 1 . . 590 . . 127 THR CB . 28071 1 552 . 1 . 1 127 127 THR N N 15 115.210 0.008 . 1 . . 119 . . 127 THR N . 28071 1 553 . 1 . 1 128 128 GLU H H 1 8.327 0.002 . 1 . . 422 . . 128 GLU H . 28071 1 554 . 1 . 1 128 128 GLU C C 13 178.708 . . 1 . . 934 . . 128 GLU C . 28071 1 555 . 1 . 1 128 128 GLU CA C 13 59.098 0.005 . 1 . . 591 . . 128 GLU CA . 28071 1 556 . 1 . 1 128 128 GLU CB C 13 30.578 0.085 . 1 . . 592 . . 128 GLU CB . 28071 1 557 . 1 . 1 128 128 GLU N N 15 119.339 0.008 . 1 . . 423 . . 128 GLU N . 28071 1 558 . 1 . 1 129 129 LYS H H 1 8.296 0.001 . 1 . . 91 . . 129 LYS H . 28071 1 559 . 1 . 1 129 129 LYS C C 13 177.232 . . 1 . . 935 . . 129 LYS C . 28071 1 560 . 1 . 1 129 129 LYS CA C 13 55.506 0.009 . 1 . . 593 . . 129 LYS CA . 28071 1 561 . 1 . 1 129 129 LYS CB C 13 34.391 0.038 . 1 . . 594 . . 129 LYS CB . 28071 1 562 . 1 . 1 129 129 LYS N N 15 113.689 0.007 . 1 . . 34 . . 129 LYS N . 28071 1 563 . 1 . 1 130 130 GLY H H 1 7.206 0.001 . 1 . . 282 . . 130 GLY H . 28071 1 564 . 1 . 1 130 130 GLY C C 13 171.111 . . 1 . . 936 . . 130 GLY C . 28071 1 565 . 1 . 1 130 130 GLY CA C 13 44.026 0.006 . 1 . . 595 . . 130 GLY CA . 28071 1 566 . 1 . 1 130 130 GLY N N 15 106.711 0.005 . 1 . . 283 . . 130 GLY N . 28071 1 567 . 1 . 1 131 131 LYS H H 1 8.499 0.001 . 1 . . 363 . . 131 LYS H . 28071 1 568 . 1 . 1 131 131 LYS C C 13 175.502 . . 1 . . 937 . . 131 LYS C . 28071 1 569 . 1 . 1 131 131 LYS CA C 13 54.016 0.011 . 1 . . 596 . . 131 LYS CA . 28071 1 570 . 1 . 1 131 131 LYS CB C 13 35.601 0.006 . 1 . . 597 . . 131 LYS CB . 28071 1 571 . 1 . 1 131 131 LYS N N 15 116.316 0.017 . 1 . . 364 . . 131 LYS N . 28071 1 572 . 1 . 1 132 132 HIS H H 1 9.082 0.002 . 1 . . 87 . . 132 HIS H . 28071 1 573 . 1 . 1 132 132 HIS C C 13 177.848 . . 1 . . 938 . . 132 HIS C . 28071 1 574 . 1 . 1 132 132 HIS CA C 13 60.448 0.015 . 1 . . 598 . . 132 HIS CA . 28071 1 575 . 1 . 1 132 132 HIS CB C 13 30.517 0.08 . 1 . . 599 . . 132 HIS CB . 28071 1 576 . 1 . 1 132 132 HIS N N 15 121.321 0.016 . 1 . . 88 . . 132 HIS N . 28071 1 577 . 1 . 1 133 133 GLY H H 1 8.756 0.002 . 1 . . 13 . . 133 GLY H . 28071 1 578 . 1 . 1 133 133 GLY C C 13 175.410 . . 1 . . 939 . . 133 GLY C . 28071 1 579 . 1 . 1 133 133 GLY CA C 13 45.325 0.013 . 1 . . 600 . . 133 GLY CA . 28071 1 580 . 1 . 1 133 133 GLY N N 15 116.211 0.008 . 1 . . 14 . . 133 GLY N . 28071 1 581 . 1 . 1 134 134 SER H H 1 8.822 0.002 . 1 . . 44 . . 134 SER H . 28071 1 582 . 1 . 1 134 134 SER C C 13 173.152 . . 1 . . 940 . . 134 SER C . 28071 1 583 . 1 . 1 134 134 SER CA C 13 60.318 0.005 . 1 . . 601 . . 134 SER CA . 28071 1 584 . 1 . 1 134 134 SER CB C 13 63.426 0.014 . 1 . . 602 . . 134 SER CB . 28071 1 585 . 1 . 1 134 134 SER N N 15 120.837 0.017 . 1 . . 45 . . 134 SER N . 28071 1 586 . 1 . 1 135 135 PHE H H 1 7.571 0.002 . 1 . . 35 . . 135 PHE H . 28071 1 587 . 1 . 1 135 135 PHE C C 13 171.259 . . 1 . . 941 . . 135 PHE C . 28071 1 588 . 1 . 1 135 135 PHE CA C 13 55.168 0.01 . 1 . . 603 . . 135 PHE CA . 28071 1 589 . 1 . 1 135 135 PHE CB C 13 44.578 0.035 . 1 . . 604 . . 135 PHE CB . 28071 1 590 . 1 . 1 135 135 PHE N N 15 116.451 0.037 . 1 . . 36 . . 135 PHE N . 28071 1 591 . 1 . 1 136 136 LEU H H 1 9.075 0.001 . 1 . . 31 . . 136 LEU H . 28071 1 592 . 1 . 1 136 136 LEU C C 13 174.569 . . 1 . . 955 . . 136 LEU C . 28071 1 593 . 1 . 1 136 136 LEU CA C 13 54.152 0.062 . 1 . . 605 . . 136 LEU CA . 28071 1 594 . 1 . 1 136 136 LEU CB C 13 44.680 0.028 . 1 . . 606 . . 136 LEU CB . 28071 1 595 . 1 . 1 136 136 LEU N N 15 114.929 0.006 . 1 . . 32 . . 136 LEU N . 28071 1 596 . 1 . 1 137 137 VAL H H 1 9.405 0.006 . 1 . . 298 . . 137 VAL H . 28071 1 597 . 1 . 1 137 137 VAL C C 13 172.973 . . 1 . . 956 . . 137 VAL C . 28071 1 598 . 1 . 1 137 137 VAL CA C 13 60.763 0.023 . 1 . . 607 . . 137 VAL CA . 28071 1 599 . 1 . 1 137 137 VAL N N 15 120.221 0.02 . 1 . . 299 . . 137 VAL N . 28071 1 600 . 1 . 1 138 138 ARG H H 1 9.464 0.002 . 1 . . 369 . . 138 ARG H . 28071 1 601 . 1 . 1 138 138 ARG C C 13 174.313 . . 1 . . 957 . . 138 ARG C . 28071 1 602 . 1 . 1 138 138 ARG CA C 13 53.063 0.002 . 1 . . 608 . . 138 ARG CA . 28071 1 603 . 1 . 1 138 138 ARG CB C 13 34.047 . . 1 . . 611 . . 138 ARG CB . 28071 1 604 . 1 . 1 138 138 ARG N N 15 123.697 0.037 . 1 . . 370 . . 138 ARG N . 28071 1 605 . 1 . 1 139 139 GLU H H 1 8.768 0.003 . 1 . . 428 . . 139 GLU H . 28071 1 606 . 1 . 1 139 139 GLU C C 13 176.210 . . 1 . . 958 . . 139 GLU C . 28071 1 607 . 1 . 1 139 139 GLU CA C 13 56.793 0.01 . 1 . . 609 . . 139 GLU CA . 28071 1 608 . 1 . 1 139 139 GLU CB C 13 31.110 0.008 . 1 . . 610 . . 139 GLU CB . 28071 1 609 . 1 . 1 139 139 GLU N N 15 121.191 0.028 . 1 . . 429 . . 139 GLU N . 28071 1 610 . 1 . 1 140 140 SER H H 1 7.988 0.004 . 1 . . 355 . . 140 SER H . 28071 1 611 . 1 . 1 140 140 SER C C 13 176.108 . . 1 . . 959 . . 140 SER C . 28071 1 612 . 1 . 1 140 140 SER CA C 13 57.874 0.028 . 1 . . 612 . . 140 SER CA . 28071 1 613 . 1 . 1 140 140 SER CB C 13 63.525 0.041 . 1 . . 613 . . 140 SER CB . 28071 1 614 . 1 . 1 140 140 SER N N 15 115.211 0.023 . 1 . . 356 . . 140 SER N . 28071 1 615 . 1 . 1 141 141 GLN H H 1 8.819 0.004 . 1 . . 373 . . 141 GLN H . 28071 1 616 . 1 . 1 141 141 GLN C C 13 177.209 . . 1 . . 960 . . 141 GLN C . 28071 1 617 . 1 . 1 141 141 GLN CA C 13 56.774 0.015 . 1 . . 614 . . 141 GLN CA . 28071 1 618 . 1 . 1 141 141 GLN CB C 13 32.002 0.038 . 1 . . 615 . . 141 GLN CB . 28071 1 619 . 1 . 1 141 141 GLN N N 15 126.318 0.043 . 1 . . 374 . . 141 GLN N . 28071 1 620 . 1 . 1 142 142 SER H H 1 8.091 0.001 . 1 . . 213 . . 142 SER H . 28071 1 621 . 1 . 1 142 142 SER C C 13 174.427 . . 1 . . 961 . . 142 SER C . 28071 1 622 . 1 . 1 142 142 SER CA C 13 59.385 0.045 . 1 . . 616 . . 142 SER CA . 28071 1 623 . 1 . 1 142 142 SER CB C 13 63.640 0.015 . 1 . . 617 . . 142 SER CB . 28071 1 624 . 1 . 1 142 142 SER N N 15 113.497 0.013 . 1 . . 214 . . 142 SER N . 28071 1 625 . 1 . 1 143 143 HIS H H 1 7.831 0.001 . 1 . . 73 . . 143 HIS H . 28071 1 626 . 1 . 1 143 143 HIS CA C 13 53.141 . . 1 . . 618 . . 143 HIS CA . 28071 1 627 . 1 . 1 143 143 HIS CB C 13 29.458 . . 1 . . 619 . . 143 HIS CB . 28071 1 628 . 1 . 1 143 143 HIS N N 15 121.568 0.032 . 1 . . 74 . . 143 HIS N . 28071 1 629 . 1 . 1 144 144 PRO C C 13 177.672 . . 1 . . 962 . . 144 PRO C . 28071 1 630 . 1 . 1 144 144 PRO CA C 13 64.162 0.002 . 1 . . 623 . . 144 PRO CA . 28071 1 631 . 1 . 1 144 144 PRO CB C 13 31.569 0.016 . 1 . . 624 . . 144 PRO CB . 28071 1 632 . 1 . 1 145 145 GLY H H 1 9.014 0.003 . 1 . . 106 . . 145 GLY H . 28071 1 633 . 1 . 1 145 145 GLY C C 13 172.912 . . 1 . . 963 . . 145 GLY C . 28071 1 634 . 1 . 1 145 145 GLY CA C 13 45.233 0.019 . 1 . . 620 . . 145 GLY CA . 28071 1 635 . 1 . 1 145 145 GLY N N 15 114.977 0.015 . 1 . . 107 . . 145 GLY N . 28071 1 636 . 1 . 1 146 146 ASP H H 1 7.770 0.003 . 1 . . 405 . . 146 ASP H . 28071 1 637 . 1 . 1 146 146 ASP C C 13 176.183 . . 1 . . 964 . . 146 ASP C . 28071 1 638 . 1 . 1 146 146 ASP CA C 13 53.298 0.005 . 1 . . 406 . . 146 ASP CA . 28071 1 639 . 1 . 1 146 146 ASP CB C 13 41.777 0.119 . 1 . . 625 . . 146 ASP CB . 28071 1 640 . 1 . 1 146 146 ASP N N 15 118.820 0.011 . 1 . . 255 . . 146 ASP N . 28071 1 641 . 1 . 1 147 147 PHE H H 1 9.196 0.001 . 1 . . 75 . . 147 PHE H . 28071 1 642 . 1 . 1 147 147 PHE C C 13 173.867 . . 1 . . 965 . . 147 PHE C . 28071 1 643 . 1 . 1 147 147 PHE CA C 13 57.184 0.008 . 1 . . 622 . . 147 PHE CA . 28071 1 644 . 1 . 1 147 147 PHE CB C 13 43.907 0.004 . 1 . . 621 . . 147 PHE CB . 28071 1 645 . 1 . 1 147 147 PHE N N 15 117.505 0.021 . 1 . . 76 . . 147 PHE N . 28071 1 646 . 1 . 1 148 148 VAL H H 1 9.592 0.005 . 1 . . 315 . . 148 VAL H . 28071 1 647 . 1 . 1 148 148 VAL C C 13 174.101 . . 1 . . 966 . . 148 VAL C . 28071 1 648 . 1 . 1 148 148 VAL CA C 13 61.565 0.009 . 1 . . 626 . . 148 VAL CA . 28071 1 649 . 1 . 1 148 148 VAL CB C 13 35.965 0.06 . 1 . . 627 . . 148 VAL CB . 28071 1 650 . 1 . 1 148 148 VAL N N 15 120.518 0.018 . 1 . . 316 . . 148 VAL N . 28071 1 651 . 1 . 1 149 149 LEU H H 1 9.494 0.005 . 1 . . 67 . . 149 LEU H . 28071 1 652 . 1 . 1 149 149 LEU C C 13 174.893 . . 1 . . 967 . . 149 LEU C . 28071 1 653 . 1 . 1 149 149 LEU CA C 13 53.376 0.009 . 1 . . 947 . . 149 LEU CA . 28071 1 654 . 1 . 1 149 149 LEU CB C 13 44.531 0.084 . 1 . . 401 . . 149 LEU CB . 28071 1 655 . 1 . 1 149 149 LEU N N 15 130.240 0.02 . 1 . . 68 . . 149 LEU N . 28071 1 656 . 1 . 1 150 150 SER H H 1 9.227 0.004 . 1 . . 339 . . 150 SER H . 28071 1 657 . 1 . 1 150 150 SER C C 13 172.776 . . 1 . . 968 . . 150 SER C . 28071 1 658 . 1 . 1 150 150 SER CA C 13 59.048 0.034 . 1 . . 389 . . 150 SER CA . 28071 1 659 . 1 . 1 150 150 SER CB C 13 64.971 0.036 . 1 . . 402 . . 150 SER CB . 28071 1 660 . 1 . 1 150 150 SER N N 15 125.329 0.025 . 1 . . 340 . . 150 SER N . 28071 1 661 . 1 . 1 151 151 VAL H H 1 8.887 0.006 . 1 . . 147 . . 151 VAL H . 28071 1 662 . 1 . 1 151 151 VAL C C 13 174.837 . . 1 . . 969 . . 151 VAL C . 28071 1 663 . 1 . 1 151 151 VAL CA C 13 59.751 0.015 . 1 . . 390 . . 151 VAL CA . 28071 1 664 . 1 . 1 151 151 VAL CB C 13 36.088 0.032 . 1 . . 391 . . 151 VAL CB . 28071 1 665 . 1 . 1 151 151 VAL N N 15 122.911 0.009 . 1 . . 148 . . 151 VAL N . 28071 1 666 . 1 . 1 152 152 ARG H H 1 9.068 0.002 . 1 . . 173 . . 152 ARG H . 28071 1 667 . 1 . 1 152 152 ARG C C 13 175.090 . . 1 . . 970 . . 152 ARG C . 28071 1 668 . 1 . 1 152 152 ARG CA C 13 55.163 0.008 . 1 . . 392 . . 152 ARG CA . 28071 1 669 . 1 . 1 152 152 ARG CB C 13 31.582 0.036 . 1 . . 393 . . 152 ARG CB . 28071 1 670 . 1 . 1 152 152 ARG N N 15 128.680 0.036 . 1 . . 174 . . 152 ARG N . 28071 1 671 . 1 . 1 153 153 THR H H 1 8.785 0.003 . 1 . . 149 . . 153 THR H . 28071 1 672 . 1 . 1 153 153 THR C C 13 174.754 . . 1 . . 971 . . 153 THR C . 28071 1 673 . 1 . 1 153 153 THR CA C 13 61.012 0.005 . 1 . . 394 . . 153 THR CA . 28071 1 674 . 1 . 1 153 153 THR CB C 13 70.077 . . 1 . . 403 . . 153 THR CB . 28071 1 675 . 1 . 1 153 153 THR N N 15 121.939 0.012 . 1 . . 150 . . 153 THR N . 28071 1 676 . 1 . 1 154 154 GLY H H 1 9.624 0.005 . 1 . . 129 . . 154 GLY H . 28071 1 677 . 1 . 1 154 154 GLY C C 13 173.151 . . 1 . . 972 . . 154 GLY C . 28071 1 678 . 1 . 1 154 154 GLY CA C 13 45.174 0.057 . 1 . . 395 . . 154 GLY CA . 28071 1 679 . 1 . 1 154 154 GLY N N 15 112.383 0.013 . 1 . . 130 . . 154 GLY N . 28071 1 680 . 1 . 1 155 155 ASP H H 1 8.429 0.001 . 1 . . 151 . . 155 ASP H . 28071 1 681 . 1 . 1 155 155 ASP C C 13 176.211 . . 1 . . 973 . . 155 ASP C . 28071 1 682 . 1 . 1 155 155 ASP CA C 13 54.032 0.006 . 1 . . 396 . . 155 ASP CA . 28071 1 683 . 1 . 1 155 155 ASP CB C 13 42.290 0.012 . 1 . . 397 . . 155 ASP CB . 28071 1 684 . 1 . 1 155 155 ASP N N 15 120.685 0.002 . 1 . . 951 . . 155 ASP N . 28071 1 685 . 1 . 1 156 156 ASP H H 1 8.568 0.002 . 1 . . 23 . . 156 ASP H . 28071 1 686 . 1 . 1 156 156 ASP C C 13 176.522 . . 1 . . 974 . . 156 ASP C . 28071 1 687 . 1 . 1 156 156 ASP CA C 13 55.002 0.006 . 1 . . 399 . . 156 ASP CA . 28071 1 688 . 1 . 1 156 156 ASP CB C 13 41.121 0.005 . 1 . . 398 . . 156 ASP CB . 28071 1 689 . 1 . 1 156 156 ASP N N 15 120.680 0.007 . 1 . . 24 . . 156 ASP N . 28071 1 690 . 1 . 1 157 157 LYS H H 1 8.367 0.003 . 1 . . 262 . . 157 LYS H . 28071 1 691 . 1 . 1 157 157 LYS C C 13 177.157 . . 1 . . 975 . . 157 LYS C . 28071 1 692 . 1 . 1 157 157 LYS CA C 13 56.338 0.063 . 1 . . 411 . . 157 LYS CA . 28071 1 693 . 1 . 1 157 157 LYS CB C 13 32.749 0.024 . 1 . . 412 . . 157 LYS CB . 28071 1 694 . 1 . 1 157 157 LYS N N 15 120.376 0.026 . 1 . . 263 . . 157 LYS N . 28071 1 695 . 1 . 1 158 158 GLY H H 1 8.304 0.002 . 1 . . 9 . . 158 GLY H . 28071 1 696 . 1 . 1 158 158 GLY C C 13 174.384 . . 1 . . 976 . . 158 GLY C . 28071 1 697 . 1 . 1 158 158 GLY CA C 13 45.562 0.006 . 1 . . 413 . . 158 GLY CA . 28071 1 698 . 1 . 1 158 158 GLY N N 15 109.310 0.01 . 1 . . 10 . . 158 GLY N . 28071 1 699 . 1 . 1 159 159 GLU H H 1 8.479 0.0 . 1 . . 19 . . 159 GLU H . 28071 1 700 . 1 . 1 159 159 GLU C C 13 176.857 . . 1 . . 977 . . 159 GLU C . 28071 1 701 . 1 . 1 159 159 GLU CA C 13 56.800 0.007 . 1 . . 414 . . 159 GLU CA . 28071 1 702 . 1 . 1 159 159 GLU CB C 13 30.292 0.007 . 1 . . 415 . . 159 GLU CB . 28071 1 703 . 1 . 1 159 159 GLU N N 15 120.652 0.009 . 1 . . 20 . . 159 GLU N . 28071 1 704 . 1 . 1 160 160 SER H H 1 8.410 0.001 . 1 . . 65 . . 160 SER H . 28071 1 705 . 1 . 1 160 160 SER C C 13 174.747 . . 1 . . 978 . . 160 SER C . 28071 1 706 . 1 . 1 160 160 SER CA C 13 58.378 0.006 . 1 . . 439 . . 160 SER CA . 28071 1 707 . 1 . 1 160 160 SER CB C 13 63.884 0.01 . 1 . . 440 . . 160 SER CB . 28071 1 708 . 1 . 1 160 160 SER N N 15 115.874 0.004 . 1 . . 66 . . 160 SER N . 28071 1 709 . 1 . 1 161 161 ASN H H 1 8.589 0.001 . 1 . . 375 . . 161 ASN H . 28071 1 710 . 1 . 1 161 161 ASN C C 13 175.222 . . 1 . . 979 . . 161 ASN C . 28071 1 711 . 1 . 1 161 161 ASN CA C 13 53.712 0.058 . 1 . . 441 . . 161 ASN CA . 28071 1 712 . 1 . 1 161 161 ASN CB C 13 38.719 0.011 . 1 . . 442 . . 161 ASN CB . 28071 1 713 . 1 . 1 161 161 ASN N N 15 120.551 0.054 . 1 . . 376 . . 161 ASN N . 28071 1 714 . 1 . 1 162 162 ASP H H 1 8.260 0.0 . 1 . . 332 . . 162 ASP H . 28071 1 715 . 1 . 1 162 162 ASP C C 13 176.902 . . 1 . . 980 . . 162 ASP C . 28071 1 716 . 1 . 1 162 162 ASP CA C 13 54.461 0.001 . 1 . . 443 . . 162 ASP CA . 28071 1 717 . 1 . 1 162 162 ASP CB C 13 41.010 0.004 . 1 . . 444 . . 162 ASP CB . 28071 1 718 . 1 . 1 162 162 ASP N N 15 119.311 0.004 . 1 . . 41 . . 162 ASP N . 28071 1 719 . 1 . 1 163 163 GLY H H 1 8.320 0.0 . 1 . . 38 . . 163 GLY H . 28071 1 720 . 1 . 1 163 163 GLY C C 13 174.391 . . 1 . . 981 . . 163 GLY C . 28071 1 721 . 1 . 1 163 163 GLY CA C 13 45.729 0.011 . 1 . . 446 . . 163 GLY CA . 28071 1 722 . 1 . 1 163 163 GLY N N 15 108.661 0.016 . 1 . . 39 . . 163 GLY N . 28071 1 723 . 1 . 1 164 164 LYS H H 1 8.002 0.001 . 1 . . 79 . . 164 LYS H . 28071 1 724 . 1 . 1 164 164 LYS C C 13 176.700 . . 1 . . 982 . . 164 LYS C . 28071 1 725 . 1 . 1 164 164 LYS CA C 13 56.117 0.001 . 1 . . 447 . . 164 LYS CA . 28071 1 726 . 1 . 1 164 164 LYS CB C 13 33.238 0.008 . 1 . . 448 . . 164 LYS CB . 28071 1 727 . 1 . 1 164 164 LYS N N 15 120.436 0.009 . 1 . . 80 . . 164 LYS N . 28071 1 728 . 1 . 1 165 165 SER H H 1 8.336 0.001 . 1 . . 55 . . 165 SER H . 28071 1 729 . 1 . 1 165 165 SER C C 13 174.364 . . 1 . . 983 . . 165 SER C . 28071 1 730 . 1 . 1 165 165 SER CA C 13 58.466 0.091 . 1 . . 454 . . 165 SER CA . 28071 1 731 . 1 . 1 165 165 SER CB C 13 64.116 0.004 . 1 . . 452 . . 165 SER CB . 28071 1 732 . 1 . 1 165 165 SER N N 15 117.016 0.03 . 1 . . 56 . . 165 SER N . 28071 1 733 . 1 . 1 166 166 LYS H H 1 8.658 0.002 . 1 . . 253 . . 166 LYS H . 28071 1 734 . 1 . 1 166 166 LYS C C 13 175.124 . . 1 . . 984 . . 166 LYS C . 28071 1 735 . 1 . 1 166 166 LYS CA C 13 56.189 0.003 . 1 . . 450 . . 166 LYS CA . 28071 1 736 . 1 . 1 166 166 LYS CB C 13 34.225 0.001 . 1 . . 453 . . 166 LYS CB . 28071 1 737 . 1 . 1 166 166 LYS N N 15 123.062 0.009 . 1 . . 254 . . 166 LYS N . 28071 1 738 . 1 . 1 167 167 VAL H H 1 8.118 0.001 . 1 . . 128 . . 167 VAL H . 28071 1 739 . 1 . 1 167 167 VAL C C 13 174.346 . . 1 . . 985 . . 167 VAL C . 28071 1 740 . 1 . 1 167 167 VAL CA C 13 60.611 0.007 . 1 . . 455 . . 167 VAL CA . 28071 1 741 . 1 . 1 167 167 VAL CB C 13 34.810 0.044 . 1 . . 456 . . 167 VAL CB . 28071 1 742 . 1 . 1 167 167 VAL N N 15 121.201 0.013 . 1 . . 115 . . 167 VAL N . 28071 1 743 . 1 . 1 168 168 THR H H 1 8.831 0.001 . 1 . . 300 . . 168 THR H . 28071 1 744 . 1 . 1 168 168 THR C C 13 171.710 . . 1 . . 986 . . 168 THR C . 28071 1 745 . 1 . 1 168 168 THR CA C 13 61.584 0.003 . 1 . . 457 . . 168 THR CA . 28071 1 746 . 1 . 1 168 168 THR CB C 13 70.674 0.002 . 1 . . 458 . . 168 THR CB . 28071 1 747 . 1 . 1 168 168 THR N N 15 124.401 0.015 . 1 . . 301 . . 168 THR N . 28071 1 748 . 1 . 1 169 169 HIS H H 1 8.765 0.001 . 1 . . 196 . . 169 HIS H . 28071 1 749 . 1 . 1 169 169 HIS C C 13 174.799 . . 1 . . 987 . . 169 HIS C . 28071 1 750 . 1 . 1 169 169 HIS CA C 13 54.607 0.011 . 1 . . 459 . . 169 HIS CA . 28071 1 751 . 1 . 1 169 169 HIS CB C 13 31.778 0.02 . 1 . . 460 . . 169 HIS CB . 28071 1 752 . 1 . 1 169 169 HIS N N 15 126.269 0.024 . 1 . . 197 . . 169 HIS N . 28071 1 753 . 1 . 1 170 170 VAL H H 1 9.725 0.001 . 1 . . 319 . . 170 VAL H . 28071 1 754 . 1 . 1 170 170 VAL C C 13 175.097 . . 1 . . 988 . . 170 VAL C . 28071 1 755 . 1 . 1 170 170 VAL CA C 13 61.560 0.003 . 1 . . 461 . . 170 VAL CA . 28071 1 756 . 1 . 1 170 170 VAL CB C 13 34.055 0.069 . 1 . . 462 . . 170 VAL CB . 28071 1 757 . 1 . 1 170 170 VAL N N 15 127.325 0.013 . 1 . . 320 . . 170 VAL N . 28071 1 758 . 1 . 1 171 171 MET H H 1 8.827 0.002 . 1 . . 333 . . 171 MET H . 28071 1 759 . 1 . 1 171 171 MET C C 13 175.346 . . 1 . . 989 . . 171 MET C . 28071 1 760 . 1 . 1 171 171 MET CA C 13 56.532 0.033 . 1 . . 463 . . 171 MET CA . 28071 1 761 . 1 . 1 171 171 MET CB C 13 32.262 0.005 . 1 . . 465 . . 171 MET CB . 28071 1 762 . 1 . 1 171 171 MET N N 15 127.283 0.006 . 1 . . 334 . . 171 MET N . 28071 1 763 . 1 . 1 172 172 ILE H H 1 8.794 0.002 . 1 . . 177 . . 172 ILE H . 28071 1 764 . 1 . 1 172 172 ILE C C 13 175.597 . . 1 . . 990 . . 172 ILE C . 28071 1 765 . 1 . 1 172 172 ILE CA C 13 60.002 0.012 . 1 . . 466 . . 172 ILE CA . 28071 1 766 . 1 . 1 172 172 ILE CB C 13 39.265 0.135 . 1 . . 469 . . 172 ILE CB . 28071 1 767 . 1 . 1 172 172 ILE N N 15 124.996 0.021 . 1 . . 178 . . 172 ILE N . 28071 1 768 . 1 . 1 173 173 ARG H H 1 8.810 0.001 . 1 . . 215 . . 173 ARG H . 28071 1 769 . 1 . 1 173 173 ARG C C 13 175.408 . . 1 . . 991 . . 173 ARG C . 28071 1 770 . 1 . 1 173 173 ARG CA C 13 55.433 0.013 . 1 . . 467 . . 173 ARG CA . 28071 1 771 . 1 . 1 173 173 ARG CB C 13 31.854 0.045 . 1 . . 468 . . 173 ARG CB . 28071 1 772 . 1 . 1 173 173 ARG N N 15 128.351 0.014 . 1 . . 216 . . 173 ARG N . 28071 1 773 . 1 . 1 174 174 CYS H H 1 8.772 0.003 . 1 . . 219 . . 174 CYS H . 28071 1 774 . 1 . 1 174 174 CYS C C 13 174.688 . . 1 . . 992 . . 174 CYS C . 28071 1 775 . 1 . 1 174 174 CYS CA C 13 57.151 0.007 . 1 . . 471 . . 174 CYS CA . 28071 1 776 . 1 . 1 174 174 CYS CB C 13 28.324 0.016 . 1 . . 472 . . 174 CYS CB . 28071 1 777 . 1 . 1 174 174 CYS N N 15 124.766 0.04 . 1 . . 220 . . 174 CYS N . 28071 1 778 . 1 . 1 175 175 GLN H H 1 8.746 0.001 . 1 . . 235 . . 175 GLN H . 28071 1 779 . 1 . 1 175 175 GLN C C 13 175.123 . . 1 . . 993 . . 175 GLN C . 28071 1 780 . 1 . 1 175 175 GLN CA C 13 55.163 0.006 . 1 . . 473 . . 175 GLN CA . 28071 1 781 . 1 . 1 175 175 GLN CB C 13 31.509 0.025 . 1 . . 474 . . 175 GLN CB . 28071 1 782 . 1 . 1 175 175 GLN N N 15 128.132 0.023 . 1 . . 236 . . 175 GLN N . 28071 1 783 . 1 . 1 176 176 GLU H H 1 9.364 0.003 . 1 . . 325 . . 176 GLU H . 28071 1 784 . 1 . 1 176 176 GLU C C 13 174.908 . . 1 . . 994 . . 176 GLU C . 28071 1 785 . 1 . 1 176 176 GLU CA C 13 57.465 0.019 . 1 . . 475 . . 176 GLU CA . 28071 1 786 . 1 . 1 176 176 GLU CB C 13 27.678 0.048 . 1 . . 476 . . 176 GLU CB . 28071 1 787 . 1 . 1 176 176 GLU N N 15 125.321 0.013 . 1 . . 326 . . 176 GLU N . 28071 1 788 . 1 . 1 177 177 LEU H H 1 8.362 0.002 . 1 . . 270 . . 177 LEU H . 28071 1 789 . 1 . 1 177 177 LEU C C 13 175.422 . . 1 . . 995 . . 177 LEU C . 28071 1 790 . 1 . 1 177 177 LEU CA C 13 56.617 0.014 . 1 . . 477 . . 177 LEU CA . 28071 1 791 . 1 . 1 177 177 LEU CB C 13 39.485 0.022 . 1 . . 478 . . 177 LEU CB . 28071 1 792 . 1 . 1 177 177 LEU N N 15 109.108 0.014 . 1 . . 271 . . 177 LEU N . 28071 1 793 . 1 . 1 178 178 LYS H H 1 7.590 0.003 . 1 . . 5 . . 178 LYS H . 28071 1 794 . 1 . 1 178 178 LYS C C 13 175.952 . . 1 . . 996 . . 178 LYS C . 28071 1 795 . 1 . 1 178 178 LYS CA C 13 54.059 0.004 . 1 . . 479 . . 178 LYS CA . 28071 1 796 . 1 . 1 178 178 LYS CB C 13 36.405 0.071 . 1 . . 480 . . 178 LYS CB . 28071 1 797 . 1 . 1 178 178 LYS N N 15 118.267 0.008 . 1 . . 6 . . 178 LYS N . 28071 1 798 . 1 . 1 179 179 TYR H H 1 9.432 0.002 . 1 . . 481 . . 179 TYR H . 28071 1 799 . 1 . 1 179 179 TYR C C 13 175.970 . . 1 . . 997 . . 179 TYR C . 28071 1 800 . 1 . 1 179 179 TYR CA C 13 57.077 0.005 . 1 . . 483 . . 179 TYR CA . 28071 1 801 . 1 . 1 179 179 TYR CB C 13 42.030 0.071 . 1 . . 484 . . 179 TYR CB . 28071 1 802 . 1 . 1 179 179 TYR N N 15 120.274 0.002 . 1 . . 482 . . 179 TYR N . 28071 1 803 . 1 . 1 180 180 ASP H H 1 9.223 0.002 . 1 . . 110 . . 180 ASP H . 28071 1 804 . 1 . 1 180 180 ASP C C 13 174.219 . . 1 . . 998 . . 180 ASP C . 28071 1 805 . 1 . 1 180 180 ASP CA C 13 54.256 0.013 . 1 . . 485 . . 180 ASP CA . 28071 1 806 . 1 . 1 180 180 ASP CB C 13 45.730 0.053 . 1 . . 486 . . 180 ASP CB . 28071 1 807 . 1 . 1 180 180 ASP N N 15 119.349 0.009 . 1 . . 111 . . 180 ASP N . 28071 1 808 . 1 . 1 181 181 VAL H H 1 8.689 0.003 . 1 . . 165 . . 181 VAL H . 28071 1 809 . 1 . 1 181 181 VAL C C 13 177.154 . . 1 . . 999 . . 181 VAL C . 28071 1 810 . 1 . 1 181 181 VAL CA C 13 60.270 0.019 . 1 . . 487 . . 181 VAL CA . 28071 1 811 . 1 . 1 181 181 VAL CB C 13 31.498 0.031 . 1 . . 488 . . 181 VAL CB . 28071 1 812 . 1 . 1 181 181 VAL N N 15 113.271 0.035 . 1 . . 166 . . 181 VAL N . 28071 1 813 . 1 . 1 182 182 GLY H H 1 9.454 0.002 . 1 . . 57 . . 182 GLY H . 28071 1 814 . 1 . 1 182 182 GLY C C 13 174.874 . . 1 . . 1000 . . 182 GLY C . 28071 1 815 . 1 . 1 182 182 GLY CA C 13 45.712 0.027 . 1 . . 489 . . 182 GLY CA . 28071 1 816 . 1 . 1 182 182 GLY N N 15 112.852 0.025 . 1 . . 58 . . 182 GLY N . 28071 1 817 . 1 . 1 183 183 GLY H H 1 8.133 0.001 . 1 . . 175 . . 183 GLY H . 28071 1 818 . 1 . 1 183 183 GLY C C 13 174.339 . . 1 . . 1001 . . 183 GLY C . 28071 1 819 . 1 . 1 183 183 GLY CA C 13 44.839 0.012 . 1 . . 490 . . 183 GLY CA . 28071 1 820 . 1 . 1 183 183 GLY N N 15 107.718 0.014 . 1 . . 176 . . 183 GLY N . 28071 1 821 . 1 . 1 184 184 GLY H H 1 8.501 0.001 . 1 . . 1 . . 184 GLY H . 28071 1 822 . 1 . 1 184 184 GLY C C 13 173.822 . . 1 . . 1002 . . 184 GLY C . 28071 1 823 . 1 . 1 184 184 GLY CA C 13 45.210 0.025 . 1 . . 491 . . 184 GLY CA . 28071 1 824 . 1 . 1 184 184 GLY N N 15 108.337 0.003 . 1 . . 2 . . 184 GLY N . 28071 1 825 . 1 . 1 185 185 GLU H H 1 8.031 0.001 . 1 . . 204 . . 185 GLU H . 28071 1 826 . 1 . 1 185 185 GLU C C 13 174.336 . . 1 . . 1003 . . 185 GLU C . 28071 1 827 . 1 . 1 185 185 GLU CA C 13 56.504 0.009 . 1 . . 492 . . 185 GLU CA . 28071 1 828 . 1 . 1 185 185 GLU CB C 13 30.355 0.015 . 1 . . 493 . . 185 GLU CB . 28071 1 829 . 1 . 1 185 185 GLU N N 15 120.796 0.021 . 1 . . 186 . . 185 GLU N . 28071 1 830 . 1 . 1 186 186 ARG H H 1 7.905 0.001 . 1 . . 171 . . 186 ARG H . 28071 1 831 . 1 . 1 186 186 ARG C C 13 176.153 . . 1 . . 1004 . . 186 ARG C . 28071 1 832 . 1 . 1 186 186 ARG CA C 13 54.349 0.01 . 1 . . 494 . . 186 ARG CA . 28071 1 833 . 1 . 1 186 186 ARG CB C 13 32.973 0.014 . 1 . . 495 . . 186 ARG CB . 28071 1 834 . 1 . 1 186 186 ARG N N 15 119.621 0.011 . 1 . . 172 . . 186 ARG N . 28071 1 835 . 1 . 1 187 187 PHE H H 1 9.422 0.001 . 1 . . 258 . . 187 PHE H . 28071 1 836 . 1 . 1 187 187 PHE C C 13 176.363 . . 1 . . 1005 . . 187 PHE C . 28071 1 837 . 1 . 1 187 187 PHE CA C 13 57.623 0.009 . 1 . . 496 . . 187 PHE CA . 28071 1 838 . 1 . 1 187 187 PHE CB C 13 43.853 0.061 . 1 . . 497 . . 187 PHE CB . 28071 1 839 . 1 . 1 187 187 PHE N N 15 119.546 0.025 . 1 . . 259 . . 187 PHE N . 28071 1 840 . 1 . 1 188 188 ASP H H 1 10.006 0.003 . 1 . . 152 . . 188 ASP H . 28071 1 841 . 1 . 1 188 188 ASP C C 13 175.380 . . 1 . . 1006 . . 188 ASP C . 28071 1 842 . 1 . 1 188 188 ASP CA C 13 56.248 0.025 . 1 . . 498 . . 188 ASP CA . 28071 1 843 . 1 . 1 188 188 ASP CB C 13 41.704 0.05 . 1 . . 499 . . 188 ASP CB . 28071 1 844 . 1 . 1 188 188 ASP N N 15 120.893 0.022 . 1 . . 153 . . 188 ASP N . 28071 1 845 . 1 . 1 189 189 SER H H 1 7.603 0.0 . 1 . . 296 . . 189 SER H . 28071 1 846 . 1 . 1 189 189 SER C C 13 173.905 . . 1 . . 1007 . . 189 SER C . 28071 1 847 . 1 . 1 189 189 SER CA C 13 56.578 0.07 . 1 . . 500 . . 189 SER CA . 28071 1 848 . 1 . 1 189 189 SER CB C 13 66.567 0.047 . 1 . . 501 . . 189 SER CB . 28071 1 849 . 1 . 1 189 189 SER N N 15 108.456 0.007 . 1 . . 297 . . 189 SER N . 28071 1 850 . 1 . 1 190 190 LEU H H 1 8.816 0.002 . 1 . . 69 . . 190 LEU H . 28071 1 851 . 1 . 1 190 190 LEU C C 13 178.269 . . 1 . . 1008 . . 190 LEU C . 28071 1 852 . 1 . 1 190 190 LEU CA C 13 57.139 0.041 . 1 . . 502 . . 190 LEU CA . 28071 1 853 . 1 . 1 190 190 LEU CB C 13 42.207 0.027 . 1 . . 503 . . 190 LEU CB . 28071 1 854 . 1 . 1 190 190 LEU N N 15 122.295 0.024 . 1 . . 70 . . 190 LEU N . 28071 1 855 . 1 . 1 191 191 THR H H 1 8.030 0.003 . 1 . . 223 . . 191 THR H . 28071 1 856 . 1 . 1 191 191 THR C C 13 175.366 . . 1 . . 1009 . . 191 THR C . 28071 1 857 . 1 . 1 191 191 THR CA C 13 67.213 0.011 . 1 . . 504 . . 191 THR CA . 28071 1 858 . 1 . 1 191 191 THR CB C 13 68.743 0.124 . 1 . . 505 . . 191 THR CB . 28071 1 859 . 1 . 1 191 191 THR N N 15 114.779 0.01 . 1 . . 185 . . 191 THR N . 28071 1 860 . 1 . 1 192 192 ASP H H 1 7.783 0.001 . 1 . . 141 . . 192 ASP H . 28071 1 861 . 1 . 1 192 192 ASP C C 13 177.949 . . 1 . . 1010 . . 192 ASP C . 28071 1 862 . 1 . 1 192 192 ASP CA C 13 57.378 0.014 . 1 . . 506 . . 192 ASP CA . 28071 1 863 . 1 . 1 192 192 ASP CB C 13 40.738 0.022 . 1 . . 507 . . 192 ASP CB . 28071 1 864 . 1 . 1 192 192 ASP N N 15 120.967 0.018 . 1 . . 142 . . 192 ASP N . 28071 1 865 . 1 . 1 193 193 LEU H H 1 7.016 0.002 . 1 . . 29 . . 193 LEU H . 28071 1 866 . 1 . 1 193 193 LEU C C 13 177.290 . . 1 . . 1011 . . 193 LEU C . 28071 1 867 . 1 . 1 193 193 LEU CA C 13 59.011 0.016 . 1 . . 508 . . 193 LEU CA . 28071 1 868 . 1 . 1 193 193 LEU CB C 13 42.116 0.014 . 1 . . 509 . . 193 LEU CB . 28071 1 869 . 1 . 1 193 193 LEU N N 15 122.588 0.007 . 1 . . 30 . . 193 LEU N . 28071 1 870 . 1 . 1 194 194 VAL H H 1 8.017 0.001 . 1 . . 424 . . 194 VAL H . 28071 1 871 . 1 . 1 194 194 VAL C C 13 177.329 . . 1 . . 1012 . . 194 VAL C . 28071 1 872 . 1 . 1 194 194 VAL CA C 13 67.187 0.0 . 1 . . 510 . . 194 VAL CA . 28071 1 873 . 1 . 1 194 194 VAL CB C 13 31.570 0.01 . 1 . . 511 . . 194 VAL CB . 28071 1 874 . 1 . 1 194 194 VAL N N 15 120.110 0.025 . 1 . . 425 . . 194 VAL N . 28071 1 875 . 1 . 1 195 195 GLU H H 1 8.300 0.002 . 1 . . 381 . . 195 GLU H . 28071 1 876 . 1 . 1 195 195 GLU C C 13 179.774 . . 1 . . 1013 . . 195 GLU C . 28071 1 877 . 1 . 1 195 195 GLU CA C 13 59.056 0.016 . 1 . . 512 . . 195 GLU CA . 28071 1 878 . 1 . 1 195 195 GLU CB C 13 28.985 0.049 . 1 . . 513 . . 195 GLU CB . 28071 1 879 . 1 . 1 195 195 GLU N N 15 115.908 0.051 . 1 . . 382 . . 195 GLU N . 28071 1 880 . 1 . 1 196 196 HIS H H 1 7.733 0.001 . 1 . . 102 . . 196 HIS H . 28071 1 881 . 1 . 1 196 196 HIS C C 13 178.798 . . 1 . . 1014 . . 196 HIS C . 28071 1 882 . 1 . 1 196 196 HIS CA C 13 60.695 0.003 . 1 . . 514 . . 196 HIS CA . 28071 1 883 . 1 . 1 196 196 HIS CB C 13 30.929 0.066 . 1 . . 515 . . 196 HIS CB . 28071 1 884 . 1 . 1 196 196 HIS N N 15 118.510 0.02 . 1 . . 103 . . 196 HIS N . 28071 1 885 . 1 . 1 197 197 TYR H H 1 7.739 0.003 . 1 . . 239 . . 197 TYR H . 28071 1 886 . 1 . 1 197 197 TYR C C 13 176.288 . . 1 . . 1015 . . 197 TYR C . 28071 1 887 . 1 . 1 197 197 TYR CA C 13 61.159 0.022 . 1 . . 516 . . 197 TYR CA . 28071 1 888 . 1 . 1 197 197 TYR CB C 13 36.981 0.005 . 1 . . 520 . . 197 TYR CB . 28071 1 889 . 1 . 1 197 197 TYR N N 15 117.371 0.053 . 1 . . 240 . . 197 TYR N . 28071 1 890 . 1 . 1 198 198 LYS H H 1 7.770 0.001 . 1 . . 156 . . 198 LYS H . 28071 1 891 . 1 . 1 198 198 LYS C C 13 178.287 . . 1 . . 1016 . . 198 LYS C . 28071 1 892 . 1 . 1 198 198 LYS CA C 13 58.871 0.021 . 1 . . 517 . . 198 LYS CA . 28071 1 893 . 1 . 1 198 198 LYS CB C 13 33.149 0.021 . 1 . . 518 . . 198 LYS CB . 28071 1 894 . 1 . 1 198 198 LYS N N 15 119.220 0.017 . 1 . . 157 . . 198 LYS N . 28071 1 895 . 1 . 1 199 199 LYS H H 1 6.977 0.002 . 1 . . 230 . . 199 LYS H . 28071 1 896 . 1 . 1 199 199 LYS C C 13 175.421 . . 1 . . 1017 . . 199 LYS C . 28071 1 897 . 1 . 1 199 199 LYS CA C 13 56.569 0.016 . 1 . . 523 . . 199 LYS CA . 28071 1 898 . 1 . 1 199 199 LYS CB C 13 34.376 0.012 . 1 . . 524 . . 199 LYS CB . 28071 1 899 . 1 . 1 199 199 LYS N N 15 116.099 0.018 . 1 . . 49 . . 199 LYS N . 28071 1 900 . 1 . 1 200 200 ASN H H 1 7.612 0.002 . 1 . . 525 . . 200 ASN H . 28071 1 901 . 1 . 1 200 200 ASN CA C 13 50.633 . . 1 . . 527 . . 200 ASN CA . 28071 1 902 . 1 . 1 200 200 ASN CB C 13 40.857 . . 1 . . 528 . . 200 ASN CB . 28071 1 903 . 1 . 1 200 200 ASN N N 15 118.264 0.04 . 1 . . 526 . . 200 ASN N . 28071 1 904 . 1 . 1 201 201 PRO C C 13 176.559 . . 1 . . 1018 . . 201 PRO C . 28071 1 905 . 1 . 1 201 201 PRO CA C 13 62.954 0.003 . 1 . . 530 . . 201 PRO CA . 28071 1 906 . 1 . 1 201 201 PRO CB C 13 32.608 0.07 . 1 . . 532 . . 201 PRO CB . 28071 1 907 . 1 . 1 202 202 MET H H 1 8.712 0.002 . 1 . . 100 . . 202 MET H . 28071 1 908 . 1 . 1 202 202 MET C C 13 174.774 . . 1 . . 1019 . . 202 MET C . 28071 1 909 . 1 . 1 202 202 MET CA C 13 55.258 0.009 . 1 . . 529 . . 202 MET CA . 28071 1 910 . 1 . 1 202 202 MET CB C 13 34.999 0.015 . 1 . . 531 . . 202 MET CB . 28071 1 911 . 1 . 1 202 202 MET N N 15 121.309 0.007 . 1 . . 101 . . 202 MET N . 28071 1 912 . 1 . 1 203 203 VAL H H 1 8.262 0.001 . 1 . . 237 . . 203 VAL H . 28071 1 913 . 1 . 1 203 203 VAL C C 13 176.481 . . 1 . . 1020 . . 203 VAL C . 28071 1 914 . 1 . 1 203 203 VAL CA C 13 62.052 0.007 . 1 . . 533 . . 203 VAL CA . 28071 1 915 . 1 . 1 203 203 VAL CB C 13 32.658 0.101 . 1 . . 534 . . 203 VAL CB . 28071 1 916 . 1 . 1 203 203 VAL N N 15 123.274 0.022 . 1 . . 238 . . 203 VAL N . 28071 1 917 . 1 . 1 204 204 GLU H H 1 8.712 0.001 . 1 . . 226 . . 204 GLU H . 28071 1 918 . 1 . 1 204 204 GLU C C 13 177.348 . . 1 . . 1021 . . 204 GLU C . 28071 1 919 . 1 . 1 204 204 GLU CA C 13 56.680 0.004 . 1 . . 535 . . 204 GLU CA . 28071 1 920 . 1 . 1 204 204 GLU CB C 13 30.565 0.052 . 1 . . 536 . . 204 GLU CB . 28071 1 921 . 1 . 1 204 204 GLU N N 15 126.182 0.009 . 1 . . 227 . . 204 GLU N . 28071 1 922 . 1 . 1 205 205 THR H H 1 8.298 0.001 . 1 . . 89 . . 205 THR H . 28071 1 923 . 1 . 1 205 205 THR C C 13 175.130 . . 1 . . 1022 . . 205 THR C . 28071 1 924 . 1 . 1 205 205 THR CA C 13 64.429 0.009 . 1 . . 541 . . 205 THR CA . 28071 1 925 . 1 . 1 205 205 THR CB C 13 69.480 0.016 . 1 . . 542 . . 205 THR CB . 28071 1 926 . 1 . 1 205 205 THR N N 15 115.688 0.034 . 1 . . 90 . . 205 THR N . 28071 1 927 . 1 . 1 206 206 LEU H H 1 8.346 0.002 . 1 . . 377 . . 206 LEU H . 28071 1 928 . 1 . 1 206 206 LEU C C 13 178.115 . . 1 . . 1023 . . 206 LEU C . 28071 1 929 . 1 . 1 206 206 LEU CA C 13 55.865 . . 1 . . 543 . . 206 LEU CA . 28071 1 930 . 1 . 1 206 206 LEU CB C 13 41.168 0.018 . 1 . . 573 . . 206 LEU CB . 28071 1 931 . 1 . 1 206 206 LEU N N 15 120.565 0.062 . 1 . . 378 . . 206 LEU N . 28071 1 932 . 1 . 1 207 207 GLY H H 1 8.309 0.001 . 1 . . 122 . . 207 GLY H . 28071 1 933 . 1 . 1 207 207 GLY C C 13 174.375 . . 1 . . 1024 . . 207 GLY C . 28071 1 934 . 1 . 1 207 207 GLY CA C 13 45.552 0.025 . 1 . . 545 . . 207 GLY CA . 28071 1 935 . 1 . 1 207 207 GLY N N 15 107.932 0.009 . 1 . . 123 . . 207 GLY N . 28071 1 936 . 1 . 1 208 208 THR H H 1 7.833 0.001 . 1 . . 104 . . 208 THR H . 28071 1 937 . 1 . 1 208 208 THR C C 13 172.935 . . 1 . . 1025 . . 208 THR C . 28071 1 938 . 1 . 1 208 208 THR CA C 13 62.023 0.025 . 1 . . 546 . . 208 THR CA . 28071 1 939 . 1 . 1 208 208 THR CB C 13 69.881 0.031 . 1 . . 943 . . 208 THR CB . 28071 1 940 . 1 . 1 208 208 THR N N 15 115.324 0.004 . 1 . . 105 . . 208 THR N . 28071 1 941 . 1 . 1 209 209 VAL H H 1 8.374 0.001 . 1 . . 272 . . 209 VAL H . 28071 1 942 . 1 . 1 209 209 VAL C C 13 175.684 . . 1 . . 1026 . . 209 VAL C . 28071 1 943 . 1 . 1 209 209 VAL CA C 13 61.783 0.003 . 1 . . 547 . . 209 VAL CA . 28071 1 944 . 1 . 1 209 209 VAL CB C 13 33.176 0.02 . 1 . . 548 . . 209 VAL CB . 28071 1 945 . 1 . 1 209 209 VAL N N 15 123.028 0.033 . 1 . . 273 . . 209 VAL N . 28071 1 946 . 1 . 1 210 210 LEU H H 1 8.915 0.003 . 1 . . 247 . . 210 LEU H . 28071 1 947 . 1 . 1 210 210 LEU C C 13 174.557 . . 1 . . 1027 . . 210 LEU C . 28071 1 948 . 1 . 1 210 210 LEU CA C 13 53.852 0.003 . 1 . . 549 . . 210 LEU CA . 28071 1 949 . 1 . 1 210 210 LEU CB C 13 43.761 0.033 . 1 . . 551 . . 210 LEU CB . 28071 1 950 . 1 . 1 210 210 LEU N N 15 128.086 0.016 . 1 . . 248 . . 210 LEU N . 28071 1 951 . 1 . 1 211 211 GLN H H 1 7.988 0.002 . 1 . . 42 . . 211 GLN H . 28071 1 952 . 1 . 1 211 211 GLN C C 13 174.360 . . 1 . . 1028 . . 211 GLN C . 28071 1 953 . 1 . 1 211 211 GLN CA C 13 54.721 0.014 . 1 . . 559 . . 211 GLN CA . 28071 1 954 . 1 . 1 211 211 GLN CB C 13 30.957 0.024 . 1 . . 552 . . 211 GLN CB . 28071 1 955 . 1 . 1 211 211 GLN N N 15 122.418 0.018 . 1 . . 43 . . 211 GLN N . 28071 1 956 . 1 . 1 212 212 LEU H H 1 8.469 0.002 . 1 . . 231 . . 212 LEU H . 28071 1 957 . 1 . 1 212 212 LEU C C 13 176.771 . . 1 . . 1029 . . 212 LEU C . 28071 1 958 . 1 . 1 212 212 LEU CA C 13 54.835 0.012 . 1 . . 553 . . 212 LEU CA . 28071 1 959 . 1 . 1 212 212 LEU CB C 13 40.616 0.163 . 1 . . 554 . . 212 LEU CB . 28071 1 960 . 1 . 1 212 212 LEU N N 15 124.565 0.01 . 1 . . 232 . . 212 LEU N . 28071 1 961 . 1 . 1 213 213 LYS H H 1 9.106 0.001 . 1 . . 124 . . 213 LYS H . 28071 1 962 . 1 . 1 213 213 LYS C C 13 175.857 . . 1 . . 1030 . . 213 LYS C . 28071 1 963 . 1 . 1 213 213 LYS CA C 13 57.068 0.012 . 1 . . 555 . . 213 LYS CA . 28071 1 964 . 1 . 1 213 213 LYS CB C 13 33.317 0.04 . 1 . . 556 . . 213 LYS CB . 28071 1 965 . 1 . 1 213 213 LYS N N 15 121.978 0.025 . 1 . . 125 . . 213 LYS N . 28071 1 966 . 1 . 1 214 214 GLN H H 1 7.550 0.001 . 1 . . 77 . . 214 GLN H . 28071 1 967 . 1 . 1 214 214 GLN CA C 13 53.341 . . 1 . . 560 . . 214 GLN CA . 28071 1 968 . 1 . 1 214 214 GLN CB C 13 29.213 . . 1 . . 561 . . 214 GLN CB . 28071 1 969 . 1 . 1 214 214 GLN N N 15 115.893 0.014 . 1 . . 78 . . 214 GLN N . 28071 1 970 . 1 . 1 215 215 PRO C C 13 176.603 . . 1 . . 1031 . . 215 PRO C . 28071 1 971 . 1 . 1 215 215 PRO CA C 13 61.641 0.004 . 1 . . 565 . . 215 PRO CA . 28071 1 972 . 1 . 1 215 215 PRO CB C 13 32.908 0.003 . 1 . . 567 . . 215 PRO CB . 28071 1 973 . 1 . 1 216 216 LEU H H 1 8.609 0.002 . 1 . . 256 . . 216 LEU H . 28071 1 974 . 1 . 1 216 216 LEU C C 13 175.521 . . 1 . . 1032 . . 216 LEU C . 28071 1 975 . 1 . 1 216 216 LEU CA C 13 53.973 0.043 . 1 . . 562 . . 216 LEU CA . 28071 1 976 . 1 . 1 216 216 LEU CB C 13 41.857 0.002 . 1 . . 566 . . 216 LEU CB . 28071 1 977 . 1 . 1 216 216 LEU N N 15 125.736 0.042 . 1 . . 257 . . 216 LEU N . 28071 1 978 . 1 . 1 217 217 ASN H H 1 8.521 0.002 . 1 . . 189 . . 217 ASN H . 28071 1 979 . 1 . 1 217 217 ASN C C 13 176.999 . . 1 . . 1033 . . 217 ASN C . 28071 1 980 . 1 . 1 217 217 ASN CA C 13 52.916 0.017 . 1 . . 564 . . 217 ASN CA . 28071 1 981 . 1 . 1 217 217 ASN CB C 13 39.659 0.04 . 1 . . 563 . . 217 ASN CB . 28071 1 982 . 1 . 1 217 217 ASN N N 15 125.024 0.011 . 1 . . 190 . . 217 ASN N . 28071 1 983 . 1 . 1 218 218 THR H H 1 8.556 0.001 . 1 . . 420 . . 218 THR H . 28071 1 984 . 1 . 1 218 218 THR C C 13 174.679 . . 1 . . 1034 . . 218 THR C . 28071 1 985 . 1 . 1 218 218 THR CA C 13 61.582 0.008 . 1 . . 568 . . 218 THR CA . 28071 1 986 . 1 . 1 218 218 THR CB C 13 69.775 0.002 . 1 . . 572 . . 218 THR CB . 28071 1 987 . 1 . 1 218 218 THR N N 15 113.689 0.014 . 1 . . 421 . . 218 THR N . 28071 1 988 . 1 . 1 219 219 THR H H 1 8.253 0.001 . 1 . . 133 . . 219 THR H . 28071 1 989 . 1 . 1 219 219 THR C C 13 173.926 . . 1 . . 1035 . . 219 THR C . 28071 1 990 . 1 . 1 219 219 THR CA C 13 61.904 0.051 . 1 . . 944 . . 219 THR CA . 28071 1 991 . 1 . 1 219 219 THR CB C 13 69.708 0.077 . 1 . . 569 . . 219 THR CB . 28071 1 992 . 1 . 1 219 219 THR N N 15 115.104 0.01 . 1 . . 134 . . 219 THR N . 28071 1 993 . 1 . 1 220 220 ARG H H 1 7.888 0.0 . 1 . . 268 . . 220 ARG H . 28071 1 994 . 1 . 1 220 220 ARG CA C 13 57.621 . . 1 . . 570 . . 220 ARG CA . 28071 1 995 . 1 . 1 220 220 ARG CB C 13 31.511 . . 1 . . 571 . . 220 ARG CB . 28071 1 996 . 1 . 1 220 220 ARG N N 15 128.061 0.01 . 1 . . 269 . . 220 ARG N . 28071 1 stop_ save_