data_51115 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51115 _Entry.Title ; CASH_8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-30 _Entry.Accession_date 2021-09-30 _Entry.Last_release_date 2021-09-30 _Entry.Original_release_date 2021-09-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignment of CAHS_8 tardigrade protein' _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 Anas Malki . . . 0000-0001-8336-8289 51115 2 Jean-Marie Teulon . . . . 51115 3 Aldo 'Camacho Zarco' . . . 0000-0002-0186-8544 51115 4 Shu-Wen Chen . W. . . 51115 5 Wiktor Adamski . . . . 51115 6 Damien Maurin . . . . 51115 7 Nicola Salvi . . . 0000-0003-1515-6908 51115 8 Jean-Luc Pellequer . . . 0000-0002-8944-2715 51115 9 Martin Blackledge . . . 0000-0003-0935-721X 51115 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51115 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 636 51115 '15N chemical shifts' 218 51115 '1H chemical shifts' 218 51115 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-26 2021-09-30 update BMRB 'update entry citation' 51115 1 . . 2021-11-21 2021-09-30 original author 'original release' 51115 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51115 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34750927 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Intrinsically Disordered Tardigrade Proteins Self-Assemble into Fibrous Gels in Response to Environmental Stress ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 61 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3773 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e202109961 _Citation.Page_last e202109961 _Citation.Year 2022 _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 Anas Malki . . . . 51115 1 2 Jean-Marie Teulon . . . . 51115 1 3 Aldo 'Camacho Zarco' . . . . 51115 1 4 Shu-Wen Chen . W. . . 51115 1 5 Wiktor Adamski . . . . 51115 1 6 Damien Maurin . . . . 51115 1 7 Nicola Salvi . . . . 51115 1 8 Jean-Luc Pellequer . . . . 51115 1 9 Martin Blackledge . . . . 51115 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51115 _Assembly.ID 1 _Assembly.Name CAHS_8 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CAHS_8 1 $entity_1 . . yes native no no . . . 51115 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP P0CU50 . . . . . . 51115 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51115 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSGRNVESHMERNEKVVVNN SGHADVKKQQQQVEHTEFTH TEVKAPLIHPAPPIISTGAA GLAEEIVGQGFTASAARISG GTAEVHLQPSAAMTEEARRD QERYRQEQESIAKQQEREME KKTEAYRKTAEAEAEKIRKE LEKQHARDVEFRKDLIESTI DRQKREVDLEAKMAKRELDR EGQLAKEALERSRLATNVEV NFDSAAGHTVSGGTTVSTSD KMEIKRNENLYFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 233 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 51115 1 2 . SER . 51115 1 3 . GLY . 51115 1 4 . ARG . 51115 1 5 . ASN . 51115 1 6 . VAL . 51115 1 7 . GLU . 51115 1 8 . SER . 51115 1 9 . HIS . 51115 1 10 . MET . 51115 1 11 . GLU . 51115 1 12 . ARG . 51115 1 13 . ASN . 51115 1 14 . GLU . 51115 1 15 . LYS . 51115 1 16 . VAL . 51115 1 17 . VAL . 51115 1 18 . VAL . 51115 1 19 . ASN . 51115 1 20 . ASN . 51115 1 21 . SER . 51115 1 22 . GLY . 51115 1 23 . HIS . 51115 1 24 . ALA . 51115 1 25 . ASP . 51115 1 26 . VAL . 51115 1 27 . LYS . 51115 1 28 . LYS . 51115 1 29 . GLN . 51115 1 30 . GLN . 51115 1 31 . GLN . 51115 1 32 . GLN . 51115 1 33 . VAL . 51115 1 34 . GLU . 51115 1 35 . HIS . 51115 1 36 . THR . 51115 1 37 . GLU . 51115 1 38 . PHE . 51115 1 39 . THR . 51115 1 40 . HIS . 51115 1 41 . THR . 51115 1 42 . GLU . 51115 1 43 . VAL . 51115 1 44 . LYS . 51115 1 45 . ALA . 51115 1 46 . PRO . 51115 1 47 . LEU . 51115 1 48 . ILE . 51115 1 49 . HIS . 51115 1 50 . PRO . 51115 1 51 . ALA . 51115 1 52 . PRO . 51115 1 53 . PRO . 51115 1 54 . ILE . 51115 1 55 . ILE . 51115 1 56 . SER . 51115 1 57 . THR . 51115 1 58 . GLY . 51115 1 59 . ALA . 51115 1 60 . ALA . 51115 1 61 . GLY . 51115 1 62 . LEU . 51115 1 63 . ALA . 51115 1 64 . GLU . 51115 1 65 . GLU . 51115 1 66 . ILE . 51115 1 67 . VAL . 51115 1 68 . GLY . 51115 1 69 . GLN . 51115 1 70 . GLY . 51115 1 71 . PHE . 51115 1 72 . THR . 51115 1 73 . ALA . 51115 1 74 . SER . 51115 1 75 . ALA . 51115 1 76 . ALA . 51115 1 77 . ARG . 51115 1 78 . ILE . 51115 1 79 . SER . 51115 1 80 . GLY . 51115 1 81 . GLY . 51115 1 82 . THR . 51115 1 83 . ALA . 51115 1 84 . GLU . 51115 1 85 . VAL . 51115 1 86 . HIS . 51115 1 87 . LEU . 51115 1 88 . GLN . 51115 1 89 . PRO . 51115 1 90 . SER . 51115 1 91 . ALA . 51115 1 92 . ALA . 51115 1 93 . MET . 51115 1 94 . THR . 51115 1 95 . GLU . 51115 1 96 . GLU . 51115 1 97 . ALA . 51115 1 98 . ARG . 51115 1 99 . ARG . 51115 1 100 . ASP . 51115 1 101 . GLN . 51115 1 102 . GLU . 51115 1 103 . ARG . 51115 1 104 . TYR . 51115 1 105 . ARG . 51115 1 106 . GLN . 51115 1 107 . GLU . 51115 1 108 . GLN . 51115 1 109 . GLU . 51115 1 110 . SER . 51115 1 111 . ILE . 51115 1 112 . ALA . 51115 1 113 . LYS . 51115 1 114 . GLN . 51115 1 115 . GLN . 51115 1 116 . GLU . 51115 1 117 . ARG . 51115 1 118 . GLU . 51115 1 119 . MET . 51115 1 120 . GLU . 51115 1 121 . LYS . 51115 1 122 . LYS . 51115 1 123 . THR . 51115 1 124 . GLU . 51115 1 125 . ALA . 51115 1 126 . TYR . 51115 1 127 . ARG . 51115 1 128 . LYS . 51115 1 129 . THR . 51115 1 130 . ALA . 51115 1 131 . GLU . 51115 1 132 . ALA . 51115 1 133 . GLU . 51115 1 134 . ALA . 51115 1 135 . GLU . 51115 1 136 . LYS . 51115 1 137 . ILE . 51115 1 138 . ARG . 51115 1 139 . LYS . 51115 1 140 . GLU . 51115 1 141 . LEU . 51115 1 142 . GLU . 51115 1 143 . LYS . 51115 1 144 . GLN . 51115 1 145 . HIS . 51115 1 146 . ALA . 51115 1 147 . ARG . 51115 1 148 . ASP . 51115 1 149 . VAL . 51115 1 150 . GLU . 51115 1 151 . PHE . 51115 1 152 . ARG . 51115 1 153 . LYS . 51115 1 154 . ASP . 51115 1 155 . LEU . 51115 1 156 . ILE . 51115 1 157 . GLU . 51115 1 158 . SER . 51115 1 159 . THR . 51115 1 160 . ILE . 51115 1 161 . ASP . 51115 1 162 . ARG . 51115 1 163 . GLN . 51115 1 164 . LYS . 51115 1 165 . ARG . 51115 1 166 . GLU . 51115 1 167 . VAL . 51115 1 168 . ASP . 51115 1 169 . LEU . 51115 1 170 . GLU . 51115 1 171 . ALA . 51115 1 172 . LYS . 51115 1 173 . MET . 51115 1 174 . ALA . 51115 1 175 . LYS . 51115 1 176 . ARG . 51115 1 177 . GLU . 51115 1 178 . LEU . 51115 1 179 . ASP . 51115 1 180 . ARG . 51115 1 181 . GLU . 51115 1 182 . GLY . 51115 1 183 . GLN . 51115 1 184 . LEU . 51115 1 185 . ALA . 51115 1 186 . LYS . 51115 1 187 . GLU . 51115 1 188 . ALA . 51115 1 189 . LEU . 51115 1 190 . GLU . 51115 1 191 . ARG . 51115 1 192 . SER . 51115 1 193 . ARG . 51115 1 194 . LEU . 51115 1 195 . ALA . 51115 1 196 . THR . 51115 1 197 . ASN . 51115 1 198 . VAL . 51115 1 199 . GLU . 51115 1 200 . VAL . 51115 1 201 . ASN . 51115 1 202 . PHE . 51115 1 203 . ASP . 51115 1 204 . SER . 51115 1 205 . ALA . 51115 1 206 . ALA . 51115 1 207 . GLY . 51115 1 208 . HIS . 51115 1 209 . THR . 51115 1 210 . VAL . 51115 1 211 . SER . 51115 1 212 . GLY . 51115 1 213 . GLY . 51115 1 214 . THR . 51115 1 215 . THR . 51115 1 216 . VAL . 51115 1 217 . SER . 51115 1 218 . THR . 51115 1 219 . SER . 51115 1 220 . ASP . 51115 1 221 . LYS . 51115 1 222 . MET . 51115 1 223 . GLU . 51115 1 224 . ILE . 51115 1 225 . LYS . 51115 1 226 . ARG . 51115 1 227 . ASN . 51115 1 228 . GLU . 51115 1 229 . ASN . 51115 1 230 . LEU . 51115 1 231 . TYR . 51115 1 232 . PHE . 51115 1 233 . GLN . 51115 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 51115 1 . SER 2 2 51115 1 . GLY 3 3 51115 1 . ARG 4 4 51115 1 . ASN 5 5 51115 1 . VAL 6 6 51115 1 . GLU 7 7 51115 1 . SER 8 8 51115 1 . HIS 9 9 51115 1 . MET 10 10 51115 1 . GLU 11 11 51115 1 . ARG 12 12 51115 1 . ASN 13 13 51115 1 . GLU 14 14 51115 1 . LYS 15 15 51115 1 . VAL 16 16 51115 1 . VAL 17 17 51115 1 . VAL 18 18 51115 1 . ASN 19 19 51115 1 . ASN 20 20 51115 1 . SER 21 21 51115 1 . GLY 22 22 51115 1 . HIS 23 23 51115 1 . ALA 24 24 51115 1 . ASP 25 25 51115 1 . VAL 26 26 51115 1 . LYS 27 27 51115 1 . LYS 28 28 51115 1 . GLN 29 29 51115 1 . GLN 30 30 51115 1 . GLN 31 31 51115 1 . GLN 32 32 51115 1 . VAL 33 33 51115 1 . GLU 34 34 51115 1 . HIS 35 35 51115 1 . THR 36 36 51115 1 . GLU 37 37 51115 1 . PHE 38 38 51115 1 . THR 39 39 51115 1 . HIS 40 40 51115 1 . THR 41 41 51115 1 . GLU 42 42 51115 1 . VAL 43 43 51115 1 . LYS 44 44 51115 1 . ALA 45 45 51115 1 . PRO 46 46 51115 1 . LEU 47 47 51115 1 . ILE 48 48 51115 1 . HIS 49 49 51115 1 . PRO 50 50 51115 1 . ALA 51 51 51115 1 . PRO 52 52 51115 1 . PRO 53 53 51115 1 . ILE 54 54 51115 1 . ILE 55 55 51115 1 . SER 56 56 51115 1 . THR 57 57 51115 1 . GLY 58 58 51115 1 . ALA 59 59 51115 1 . ALA 60 60 51115 1 . GLY 61 61 51115 1 . LEU 62 62 51115 1 . ALA 63 63 51115 1 . GLU 64 64 51115 1 . GLU 65 65 51115 1 . ILE 66 66 51115 1 . VAL 67 67 51115 1 . GLY 68 68 51115 1 . GLN 69 69 51115 1 . GLY 70 70 51115 1 . PHE 71 71 51115 1 . THR 72 72 51115 1 . ALA 73 73 51115 1 . SER 74 74 51115 1 . ALA 75 75 51115 1 . ALA 76 76 51115 1 . ARG 77 77 51115 1 . ILE 78 78 51115 1 . SER 79 79 51115 1 . GLY 80 80 51115 1 . GLY 81 81 51115 1 . THR 82 82 51115 1 . ALA 83 83 51115 1 . GLU 84 84 51115 1 . VAL 85 85 51115 1 . HIS 86 86 51115 1 . LEU 87 87 51115 1 . GLN 88 88 51115 1 . PRO 89 89 51115 1 . SER 90 90 51115 1 . ALA 91 91 51115 1 . ALA 92 92 51115 1 . MET 93 93 51115 1 . THR 94 94 51115 1 . GLU 95 95 51115 1 . GLU 96 96 51115 1 . ALA 97 97 51115 1 . ARG 98 98 51115 1 . ARG 99 99 51115 1 . ASP 100 100 51115 1 . GLN 101 101 51115 1 . GLU 102 102 51115 1 . ARG 103 103 51115 1 . TYR 104 104 51115 1 . ARG 105 105 51115 1 . GLN 106 106 51115 1 . GLU 107 107 51115 1 . GLN 108 108 51115 1 . GLU 109 109 51115 1 . SER 110 110 51115 1 . ILE 111 111 51115 1 . ALA 112 112 51115 1 . LYS 113 113 51115 1 . GLN 114 114 51115 1 . GLN 115 115 51115 1 . GLU 116 116 51115 1 . ARG 117 117 51115 1 . GLU 118 118 51115 1 . MET 119 119 51115 1 . GLU 120 120 51115 1 . LYS 121 121 51115 1 . LYS 122 122 51115 1 . THR 123 123 51115 1 . GLU 124 124 51115 1 . ALA 125 125 51115 1 . TYR 126 126 51115 1 . ARG 127 127 51115 1 . LYS 128 128 51115 1 . THR 129 129 51115 1 . ALA 130 130 51115 1 . GLU 131 131 51115 1 . ALA 132 132 51115 1 . GLU 133 133 51115 1 . ALA 134 134 51115 1 . GLU 135 135 51115 1 . LYS 136 136 51115 1 . ILE 137 137 51115 1 . ARG 138 138 51115 1 . LYS 139 139 51115 1 . GLU 140 140 51115 1 . LEU 141 141 51115 1 . GLU 142 142 51115 1 . LYS 143 143 51115 1 . GLN 144 144 51115 1 . HIS 145 145 51115 1 . ALA 146 146 51115 1 . ARG 147 147 51115 1 . ASP 148 148 51115 1 . VAL 149 149 51115 1 . GLU 150 150 51115 1 . PHE 151 151 51115 1 . ARG 152 152 51115 1 . LYS 153 153 51115 1 . ASP 154 154 51115 1 . LEU 155 155 51115 1 . ILE 156 156 51115 1 . GLU 157 157 51115 1 . SER 158 158 51115 1 . THR 159 159 51115 1 . ILE 160 160 51115 1 . ASP 161 161 51115 1 . ARG 162 162 51115 1 . GLN 163 163 51115 1 . LYS 164 164 51115 1 . ARG 165 165 51115 1 . GLU 166 166 51115 1 . VAL 167 167 51115 1 . ASP 168 168 51115 1 . LEU 169 169 51115 1 . GLU 170 170 51115 1 . ALA 171 171 51115 1 . LYS 172 172 51115 1 . MET 173 173 51115 1 . ALA 174 174 51115 1 . LYS 175 175 51115 1 . ARG 176 176 51115 1 . GLU 177 177 51115 1 . LEU 178 178 51115 1 . ASP 179 179 51115 1 . ARG 180 180 51115 1 . GLU 181 181 51115 1 . GLY 182 182 51115 1 . GLN 183 183 51115 1 . LEU 184 184 51115 1 . ALA 185 185 51115 1 . LYS 186 186 51115 1 . GLU 187 187 51115 1 . ALA 188 188 51115 1 . LEU 189 189 51115 1 . GLU 190 190 51115 1 . ARG 191 191 51115 1 . SER 192 192 51115 1 . ARG 193 193 51115 1 . LEU 194 194 51115 1 . ALA 195 195 51115 1 . THR 196 196 51115 1 . ASN 197 197 51115 1 . VAL 198 198 51115 1 . GLU 199 199 51115 1 . VAL 200 200 51115 1 . ASN 201 201 51115 1 . PHE 202 202 51115 1 . ASP 203 203 51115 1 . SER 204 204 51115 1 . ALA 205 205 51115 1 . ALA 206 206 51115 1 . GLY 207 207 51115 1 . HIS 208 208 51115 1 . THR 209 209 51115 1 . VAL 210 210 51115 1 . SER 211 211 51115 1 . GLY 212 212 51115 1 . GLY 213 213 51115 1 . THR 214 214 51115 1 . THR 215 215 51115 1 . VAL 216 216 51115 1 . SER 217 217 51115 1 . THR 218 218 51115 1 . SER 219 219 51115 1 . ASP 220 220 51115 1 . LYS 221 221 51115 1 . MET 222 222 51115 1 . GLU 223 223 51115 1 . ILE 224 224 51115 1 . LYS 225 225 51115 1 . ARG 226 226 51115 1 . ASN 227 227 51115 1 . GLU 228 228 51115 1 . ASN 229 229 51115 1 . LEU 230 230 51115 1 . TYR 231 231 51115 1 . PHE 232 232 51115 1 . GLN 233 233 51115 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51115 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2072580 organism . 'Hypsibius exemplaris' 'Hypsibius exemplaris' . . Eukaryota Metazoa Hypsibius exemplaris . . . . . . . . . . . . . 51115 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51115 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET-28b(+) . . . 51115 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51115 _Sample.ID 1 _Sample.Name 'Sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 CAHS_8 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 350 . . uM . . . . 51115 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51115 1 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 51115 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51115 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 51115 1 pressure 1 . atm 51115 1 temperature 293 . K 51115 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51115 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51115 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51115 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 850 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51115 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51115 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51115 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51115 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51115 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51115 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51115 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51115 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Set 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water Carbon . . . . ppm 4.7 internal indirect 1 . . . . . 51115 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51115 1 N 15 water nitrogen . . . . ppm 4.7 internal indirect 1 . . . . . 51115 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51115 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'List 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 51115 1 2 '3D HNCACB' . . . 51115 1 3 '3D HNCO' . . . 51115 1 4 '3D HN(CA)CO' . . . 51115 1 5 '3D HN(CO)CA' . . . 51115 1 6 '3D HN(COCA)CB' . . . 51115 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 $software_1 . . 51115 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 2 2 SER H H 1 8.513 0.022 . 1 . . . . . 2 SER H . 51115 1 2 . 1 . 1 2 2 SER C C 13 175.087 0.000 . 1 . . . . . 2 SER C . 51115 1 3 . 1 . 1 2 2 SER CA C 13 58.338 0.000 . 1 . . . . . 2 SER CA . 51115 1 4 . 1 . 1 2 2 SER CB C 13 64.599 0.000 . 1 . . . . . 2 SER CB . 51115 1 5 . 1 . 1 2 2 SER N N 15 116.213 0.290 . 1 . . . . . 2 SER N . 51115 1 6 . 1 . 1 3 3 GLY H H 1 8.645 0.001 . 1 . . . . . 3 GLY H . 51115 1 7 . 1 . 1 3 3 GLY C C 13 174.048 0.007 . 1 . . . . . 3 GLY C . 51115 1 8 . 1 . 1 3 3 GLY CA C 13 45.192 0.184 . 1 . . . . . 3 GLY CA . 51115 1 9 . 1 . 1 3 3 GLY N N 15 111.364 0.108 . 1 . . . . . 3 GLY N . 51115 1 10 . 1 . 1 4 4 ARG H H 1 8.294 0.005 . 1 . . . . . 4 ARG H . 51115 1 11 . 1 . 1 4 4 ARG C C 13 176.080 0.074 . 1 . . . . . 4 ARG C . 51115 1 12 . 1 . 1 4 4 ARG CA C 13 55.940 0.186 . 1 . . . . . 4 ARG CA . 51115 1 13 . 1 . 1 4 4 ARG CB C 13 32.964 0.021 . 1 . . . . . 4 ARG CB . 51115 1 14 . 1 . 1 4 4 ARG N N 15 120.681 0.090 . 1 . . . . . 4 ARG N . 51115 1 15 . 1 . 1 5 5 ASN H H 1 8.533 0.006 . 1 . . . . . 5 ASN H . 51115 1 16 . 1 . 1 5 5 ASN C C 13 175.170 0.048 . 1 . . . . . 5 ASN C . 51115 1 17 . 1 . 1 5 5 ASN CA C 13 53.182 0.185 . 1 . . . . . 5 ASN CA . 51115 1 18 . 1 . 1 5 5 ASN CB C 13 39.148 0.090 . 1 . . . . . 5 ASN CB . 51115 1 19 . 1 . 1 5 5 ASN N N 15 120.060 0.111 . 1 . . . . . 5 ASN N . 51115 1 20 . 1 . 1 6 6 VAL H H 1 8.157 0.002 . 1 . . . . . 6 VAL H . 51115 1 21 . 1 . 1 6 6 VAL C C 13 176.227 0.011 . 1 . . . . . 6 VAL C . 51115 1 22 . 1 . 1 6 6 VAL CA C 13 62.138 0.145 . 1 . . . . . 6 VAL CA . 51115 1 23 . 1 . 1 6 6 VAL CB C 13 32.703 0.028 . 1 . . . . . 6 VAL CB . 51115 1 24 . 1 . 1 6 6 VAL N N 15 120.386 0.102 . 1 . . . . . 6 VAL N . 51115 1 25 . 1 . 1 7 7 GLU H H 1 8.523 0.001 . 1 . . . . . 7 GLU H . 51115 1 26 . 1 . 1 7 7 GLU C C 13 176.537 0.007 . 1 . . . . . 7 GLU C . 51115 1 27 . 1 . 1 7 7 GLU CA C 13 56.394 0.158 . 1 . . . . . 7 GLU CA . 51115 1 28 . 1 . 1 7 7 GLU CB C 13 30.233 0.017 . 1 . . . . . 7 GLU CB . 51115 1 29 . 1 . 1 7 7 GLU N N 15 124.262 0.140 . 1 . . . . . 7 GLU N . 51115 1 30 . 1 . 1 8 8 SER H H 1 8.341 0.004 . 1 . . . . . 8 SER H . 51115 1 31 . 1 . 1 8 8 SER C C 13 174.448 0.008 . 1 . . . . . 8 SER C . 51115 1 32 . 1 . 1 8 8 SER CA C 13 58.296 0.159 . 1 . . . . . 8 SER CA . 51115 1 33 . 1 . 1 8 8 SER CB C 13 64.596 0.003 . 1 . . . . . 8 SER CB . 51115 1 34 . 1 . 1 8 8 SER N N 15 116.859 0.114 . 1 . . . . . 8 SER N . 51115 1 35 . 1 . 1 9 9 HIS H H 1 8.530 0.002 . 1 . . . . . 9 HIS H . 51115 1 36 . 1 . 1 9 9 HIS C C 13 174.856 0.002 . 1 . . . . . 9 HIS C . 51115 1 37 . 1 . 1 9 9 HIS CA C 13 55.693 0.000 . 1 . . . . . 9 HIS CA . 51115 1 38 . 1 . 1 9 9 HIS CB C 13 29.868 0.016 . 1 . . . . . 9 HIS CB . 51115 1 39 . 1 . 1 9 9 HIS N N 15 121.002 0.109 . 1 . . . . . 9 HIS N . 51115 1 40 . 1 . 1 10 10 MET C C 13 176.183 0.000 . 1 . . . . . 10 MET C . 51115 1 41 . 1 . 1 11 11 GLU H H 1 8.543 0.004 . 1 . . . . . 11 GLU H . 51115 1 42 . 1 . 1 11 11 GLU CA C 13 56.272 0.000 . 1 . . . . . 11 GLU CA . 51115 1 43 . 1 . 1 11 11 GLU CB C 13 30.127 0.000 . 1 . . . . . 11 GLU CB . 51115 1 44 . 1 . 1 11 11 GLU N N 15 122.452 0.121 . 1 . . . . . 11 GLU N . 51115 1 45 . 1 . 1 12 12 ARG C C 13 176.167 0.000 . 1 . . . . . 12 ARG C . 51115 1 46 . 1 . 1 12 12 ARG CA C 13 56.055 0.000 . 1 . . . . . 12 ARG CA . 51115 1 47 . 1 . 1 12 12 ARG CB C 13 30.791 0.000 . 1 . . . . . 12 ARG CB . 51115 1 48 . 1 . 1 13 13 ASN H H 1 8.614 0.003 . 1 . . . . . 13 ASN H . 51115 1 49 . 1 . 1 13 13 ASN C C 13 175.169 0.037 . 1 . . . . . 13 ASN C . 51115 1 50 . 1 . 1 13 13 ASN CA C 13 53.180 0.129 . 1 . . . . . 13 ASN CA . 51115 1 51 . 1 . 1 13 13 ASN CB C 13 39.091 0.000 . 1 . . . . . 13 ASN CB . 51115 1 52 . 1 . 1 13 13 ASN N N 15 120.487 0.129 . 1 . . . . . 13 ASN N . 51115 1 53 . 1 . 1 14 14 GLU H H 1 8.451 0.002 . 1 . . . . . 14 GLU H . 51115 1 54 . 1 . 1 14 14 GLU C C 13 176.060 0.138 . 1 . . . . . 14 GLU C . 51115 1 55 . 1 . 1 14 14 GLU CA C 13 56.382 0.157 . 1 . . . . . 14 GLU CA . 51115 1 56 . 1 . 1 14 14 GLU CB C 13 30.314 0.018 . 1 . . . . . 14 GLU CB . 51115 1 57 . 1 . 1 14 14 GLU N N 15 121.585 0.101 . 1 . . . . . 14 GLU N . 51115 1 58 . 1 . 1 15 15 LYS H H 1 8.346 0.004 . 1 . . . . . 15 LYS H . 51115 1 59 . 1 . 1 15 15 LYS C C 13 175.895 0.001 . 1 . . . . . 15 LYS C . 51115 1 60 . 1 . 1 15 15 LYS CA C 13 56.161 0.121 . 1 . . . . . 15 LYS CA . 51115 1 61 . 1 . 1 15 15 LYS CB C 13 32.788 0.001 . 1 . . . . . 15 LYS CB . 51115 1 62 . 1 . 1 15 15 LYS N N 15 122.323 0.083 . 1 . . . . . 15 LYS N . 51115 1 63 . 1 . 1 16 16 VAL H H 1 8.160 0.007 . 1 . . . . . 16 VAL H . 51115 1 64 . 1 . 1 16 16 VAL C C 13 175.937 0.003 . 1 . . . . . 16 VAL C . 51115 1 65 . 1 . 1 16 16 VAL CA C 13 62.113 0.161 . 1 . . . . . 16 VAL CA . 51115 1 66 . 1 . 1 16 16 VAL CB C 13 32.743 0.018 . 1 . . . . . 16 VAL CB . 51115 1 67 . 1 . 1 16 16 VAL N N 15 122.440 0.115 . 1 . . . . . 16 VAL N . 51115 1 68 . 1 . 1 17 17 VAL H H 1 8.341 0.002 . 1 . . . . . 17 VAL H . 51115 1 69 . 1 . 1 17 17 VAL C C 13 175.982 0.016 . 1 . . . . . 17 VAL C . 51115 1 70 . 1 . 1 17 17 VAL CA C 13 61.985 0.132 . 1 . . . . . 17 VAL CA . 51115 1 71 . 1 . 1 17 17 VAL CB C 13 32.774 0.008 . 1 . . . . . 17 VAL CB . 51115 1 72 . 1 . 1 17 17 VAL N N 15 125.713 0.149 . 1 . . . . . 17 VAL N . 51115 1 73 . 1 . 1 18 18 VAL H H 1 8.337 0.001 . 1 . . . . . 18 VAL H . 51115 1 74 . 1 . 1 18 18 VAL C C 13 175.663 0.011 . 1 . . . . . 18 VAL C . 51115 1 75 . 1 . 1 18 18 VAL CA C 13 61.852 0.137 . 1 . . . . . 18 VAL CA . 51115 1 76 . 1 . 1 18 18 VAL CB C 13 32.859 0.005 . 1 . . . . . 18 VAL CB . 51115 1 77 . 1 . 1 18 18 VAL N N 15 125.034 0.158 . 1 . . . . . 18 VAL N . 51115 1 78 . 1 . 1 19 19 ASN H H 1 8.594 0.002 . 1 . . . . . 19 ASN H . 51115 1 79 . 1 . 1 19 19 ASN C C 13 174.867 0.519 . 1 . . . . . 19 ASN C . 51115 1 80 . 1 . 1 19 19 ASN N N 15 123.031 0.152 . 1 . . . . . 19 ASN N . 51115 1 81 . 1 . 1 20 20 ASN H H 1 8.579 0.005 . 1 . . . . . 20 ASN H . 51115 1 82 . 1 . 1 20 20 ASN C C 13 175.501 0.000 . 1 . . . . . 20 ASN C . 51115 1 83 . 1 . 1 20 20 ASN CA C 13 53.114 0.179 . 1 . . . . . 20 ASN CA . 51115 1 84 . 1 . 1 20 20 ASN CB C 13 39.180 0.021 . 1 . . . . . 20 ASN CB . 51115 1 85 . 1 . 1 20 20 ASN N N 15 120.551 0.122 . 1 . . . . . 20 ASN N . 51115 1 86 . 1 . 1 21 21 SER H H 1 8.391 0.008 . 1 . . . . . 21 SER H . 51115 1 87 . 1 . 1 21 21 SER C C 13 175.117 0.010 . 1 . . . . . 21 SER C . 51115 1 88 . 1 . 1 21 21 SER CA C 13 58.797 0.165 . 1 . . . . . 21 SER CA . 51115 1 89 . 1 . 1 21 21 SER CB C 13 64.511 0.010 . 1 . . . . . 21 SER CB . 51115 1 90 . 1 . 1 21 21 SER N N 15 116.266 0.104 . 1 . . . . . 21 SER N . 51115 1 91 . 1 . 1 22 22 GLY H H 1 8.464 0.002 . 1 . . . . . 22 GLY H . 51115 1 92 . 1 . 1 22 22 GLY C C 13 174.053 0.000 . 1 . . . . . 22 GLY C . 51115 1 93 . 1 . 1 22 22 GLY CA C 13 45.156 0.162 . 1 . . . . . 22 GLY CA . 51115 1 94 . 1 . 1 22 22 GLY N N 15 110.559 0.091 . 1 . . . . . 22 GLY N . 51115 1 95 . 1 . 1 23 23 HIS H H 1 8.216 0.004 . 1 . . . . . 23 HIS H . 51115 1 96 . 1 . 1 23 23 HIS C C 13 174.726 0.007 . 1 . . . . . 23 HIS C . 51115 1 97 . 1 . 1 23 23 HIS CA C 13 55.554 0.167 . 1 . . . . . 23 HIS CA . 51115 1 98 . 1 . 1 23 23 HIS CB C 13 30.245 0.003 . 1 . . . . . 23 HIS CB . 51115 1 99 . 1 . 1 23 23 HIS N N 15 118.873 0.103 . 1 . . . . . 23 HIS N . 51115 1 100 . 1 . 1 24 24 ALA H H 1 8.386 0.001 . 1 . . . . . 24 ALA H . 51115 1 101 . 1 . 1 24 24 ALA C C 13 177.379 0.005 . 1 . . . . . 24 ALA C . 51115 1 102 . 1 . 1 24 24 ALA CA C 13 52.403 0.163 . 1 . . . . . 24 ALA CA . 51115 1 103 . 1 . 1 24 24 ALA CB C 13 19.377 0.038 . 1 . . . . . 24 ALA CB . 51115 1 104 . 1 . 1 24 24 ALA N N 15 125.193 0.125 . 1 . . . . . 24 ALA N . 51115 1 105 . 1 . 1 25 25 ASP H H 1 8.459 0.003 . 1 . . . . . 25 ASP H . 51115 1 106 . 1 . 1 25 25 ASP C C 13 176.468 0.003 . 1 . . . . . 25 ASP C . 51115 1 107 . 1 . 1 25 25 ASP CA C 13 54.148 0.155 . 1 . . . . . 25 ASP CA . 51115 1 108 . 1 . 1 25 25 ASP CB C 13 41.336 0.004 . 1 . . . . . 25 ASP CB . 51115 1 109 . 1 . 1 25 25 ASP N N 15 120.274 0.120 . 1 . . . . . 25 ASP N . 51115 1 110 . 1 . 1 26 26 VAL H H 1 8.096 0.001 . 1 . . . . . 26 VAL H . 51115 1 111 . 1 . 1 26 26 VAL C C 13 176.498 0.009 . 1 . . . . . 26 VAL C . 51115 1 112 . 1 . 1 26 26 VAL CA C 13 62.450 0.154 . 1 . . . . . 26 VAL CA . 51115 1 113 . 1 . 1 26 26 VAL CB C 13 32.539 0.015 . 1 . . . . . 26 VAL CB . 51115 1 114 . 1 . 1 26 26 VAL N N 15 120.975 0.000 . 1 . . . . . 26 VAL N . 51115 1 115 . 1 . 1 27 27 LYS H H 1 8.374 0.002 . 1 . . . . . 27 LYS H . 51115 1 116 . 1 . 1 27 27 LYS C C 13 176.951 0.002 . 1 . . . . . 27 LYS C . 51115 1 117 . 1 . 1 27 27 LYS CA C 13 56.259 0.000 . 1 . . . . . 27 LYS CA . 51115 1 118 . 1 . 1 27 27 LYS CB C 13 32.578 0.025 . 1 . . . . . 27 LYS CB . 51115 1 119 . 1 . 1 27 27 LYS N N 15 124.304 0.114 . 1 . . . . . 27 LYS N . 51115 1 120 . 1 . 1 28 28 LYS H H 1 8.254 0.005 . 1 . . . . . 28 LYS H . 51115 1 121 . 1 . 1 28 28 LYS C C 13 176.857 0.003 . 1 . . . . . 28 LYS C . 51115 1 122 . 1 . 1 28 28 LYS CA C 13 56.421 0.144 . 1 . . . . . 28 LYS CA . 51115 1 123 . 1 . 1 28 28 LYS CB C 13 32.795 0.025 . 1 . . . . . 28 LYS CB . 51115 1 124 . 1 . 1 28 28 LYS N N 15 122.241 0.133 . 1 . . . . . 28 LYS N . 51115 1 125 . 1 . 1 29 29 GLN H H 1 8.386 0.004 . 1 . . . . . 29 GLN H . 51115 1 126 . 1 . 1 29 29 GLN C C 13 176.204 0.000 . 1 . . . . . 29 GLN C . 51115 1 127 . 1 . 1 29 29 GLN CA C 13 55.737 0.000 . 1 . . . . . 29 GLN CA . 51115 1 128 . 1 . 1 29 29 GLN CB C 13 29.415 0.000 . 1 . . . . . 29 GLN CB . 51115 1 129 . 1 . 1 29 29 GLN N N 15 121.253 0.132 . 1 . . . . . 29 GLN N . 51115 1 130 . 1 . 1 30 30 GLN C C 13 176.206 0.000 . 1 . . . . . 30 GLN C . 51115 1 131 . 1 . 1 30 30 GLN CA C 13 56.025 0.000 . 1 . . . . . 30 GLN CA . 51115 1 132 . 1 . 1 30 30 GLN CB C 13 29.404 0.000 . 1 . . . . . 30 GLN CB . 51115 1 133 . 1 . 1 31 31 GLN H H 1 8.447 0.002 . 1 . . . . . 31 GLN H . 51115 1 134 . 1 . 1 31 31 GLN CA C 13 55.700 0.245 . 1 . . . . . 31 GLN CA . 51115 1 135 . 1 . 1 31 31 GLN CB C 13 29.481 0.023 . 1 . . . . . 31 GLN CB . 51115 1 136 . 1 . 1 31 31 GLN N N 15 121.485 0.135 . 1 . . . . . 31 GLN N . 51115 1 137 . 1 . 1 33 33 VAL C C 13 175.980 0.019 . 1 . . . . . 33 VAL C . 51115 1 138 . 1 . 1 33 33 VAL CA C 13 62.012 0.161 . 1 . . . . . 33 VAL CA . 51115 1 139 . 1 . 1 34 34 GLU H H 1 8.505 0.002 . 1 . . . . . 34 GLU H . 51115 1 140 . 1 . 1 34 34 GLU C C 13 176.137 0.012 . 1 . . . . . 34 GLU C . 51115 1 141 . 1 . 1 34 34 GLU CA C 13 56.189 0.152 . 1 . . . . . 34 GLU CA . 51115 1 142 . 1 . 1 34 34 GLU CB C 13 30.443 0.020 . 1 . . . . . 34 GLU CB . 51115 1 143 . 1 . 1 34 34 GLU N N 15 124.423 0.142 . 1 . . . . . 34 GLU N . 51115 1 144 . 1 . 1 35 35 HIS H H 1 8.553 0.002 . 1 . . . . . 35 HIS H . 51115 1 145 . 1 . 1 35 35 HIS C C 13 174.906 0.012 . 1 . . . . . 35 HIS C . 51115 1 146 . 1 . 1 35 35 HIS CA C 13 55.551 0.158 . 1 . . . . . 35 HIS CA . 51115 1 147 . 1 . 1 35 35 HIS CB C 13 30.154 0.033 . 1 . . . . . 35 HIS CB . 51115 1 148 . 1 . 1 35 35 HIS N N 15 120.775 0.107 . 1 . . . . . 35 HIS N . 51115 1 149 . 1 . 1 36 36 THR H H 1 8.246 0.005 . 1 . . . . . 36 THR H . 51115 1 150 . 1 . 1 36 36 THR C C 13 174.284 0.007 . 1 . . . . . 36 THR C . 51115 1 151 . 1 . 1 36 36 THR CA C 13 61.684 0.167 . 1 . . . . . 36 THR CA . 51115 1 152 . 1 . 1 36 36 THR CB C 13 70.233 0.006 . 1 . . . . . 36 THR CB . 51115 1 153 . 1 . 1 36 36 THR N N 15 116.298 0.108 . 1 . . . . . 36 THR N . 51115 1 154 . 1 . 1 37 37 GLU H H 1 8.587 0.004 . 1 . . . . . 37 GLU H . 51115 1 155 . 1 . 1 37 37 GLU C C 13 176.051 0.007 . 1 . . . . . 37 GLU C . 51115 1 156 . 1 . 1 37 37 GLU CA C 13 56.298 0.156 . 1 . . . . . 37 GLU CA . 51115 1 157 . 1 . 1 37 37 GLU CB C 13 30.195 0.029 . 1 . . . . . 37 GLU CB . 51115 1 158 . 1 . 1 37 37 GLU N N 15 123.217 0.124 . 1 . . . . . 37 GLU N . 51115 1 159 . 1 . 1 38 38 PHE H H 1 8.302 0.005 . 1 . . . . . 38 PHE H . 51115 1 160 . 1 . 1 38 38 PHE C C 13 175.870 0.004 . 1 . . . . . 38 PHE C . 51115 1 161 . 1 . 1 38 38 PHE CA C 13 57.271 0.001 . 1 . . . . . 38 PHE CA . 51115 1 162 . 1 . 1 38 38 PHE CB C 13 39.734 0.023 . 1 . . . . . 38 PHE CB . 51115 1 163 . 1 . 1 38 38 PHE N N 15 121.170 0.126 . 1 . . . . . 38 PHE N . 51115 1 164 . 1 . 1 39 39 THR H H 1 8.110 0.010 . 1 . . . . . 39 THR H . 51115 1 165 . 1 . 1 39 39 THR CA C 13 61.605 0.161 . 1 . . . . . 39 THR CA . 51115 1 166 . 1 . 1 39 39 THR CB C 13 70.254 0.000 . 1 . . . . . 39 THR CB . 51115 1 167 . 1 . 1 39 39 THR N N 15 115.831 0.108 . 1 . . . . . 39 THR N . 51115 1 168 . 1 . 1 40 40 HIS H H 1 8.458 0.007 . 1 . . . . . 40 HIS H . 51115 1 169 . 1 . 1 40 40 HIS C C 13 174.601 0.339 . 1 . . . . . 40 HIS C . 51115 1 170 . 1 . 1 40 40 HIS CA C 13 55.786 0.110 . 1 . . . . . 40 HIS CA . 51115 1 171 . 1 . 1 40 40 HIS CB C 13 30.255 0.086 . 1 . . . . . 40 HIS CB . 51115 1 172 . 1 . 1 40 40 HIS N N 15 121.630 0.194 . 1 . . . . . 40 HIS N . 51115 1 173 . 1 . 1 41 41 THR H H 1 8.203 0.002 . 1 . . . . . 41 THR H . 51115 1 174 . 1 . 1 41 41 THR C C 13 174.065 0.004 . 1 . . . . . 41 THR C . 51115 1 175 . 1 . 1 41 41 THR CA C 13 61.686 0.154 . 1 . . . . . 41 THR CA . 51115 1 176 . 1 . 1 41 41 THR CB C 13 70.156 0.000 . 1 . . . . . 41 THR CB . 51115 1 177 . 1 . 1 41 41 THR N N 15 116.492 0.111 . 1 . . . . . 41 THR N . 51115 1 178 . 1 . 1 42 42 GLU H H 1 8.553 0.002 . 1 . . . . . 42 GLU H . 51115 1 179 . 1 . 1 42 42 GLU C C 13 176.148 0.000 . 1 . . . . . 42 GLU C . 51115 1 180 . 1 . 1 42 42 GLU N N 15 123.931 0.000 . 1 . . . . . 42 GLU N . 51115 1 181 . 1 . 1 43 43 VAL H H 1 8.294 0.002 . 1 . . . . . 43 VAL H . 51115 1 182 . 1 . 1 43 43 VAL C C 13 176.005 0.000 . 1 . . . . . 43 VAL C . 51115 1 183 . 1 . 1 43 43 VAL CA C 13 62.057 0.165 . 1 . . . . . 43 VAL CA . 51115 1 184 . 1 . 1 43 43 VAL CB C 13 32.673 0.001 . 1 . . . . . 43 VAL CB . 51115 1 185 . 1 . 1 43 43 VAL N N 15 122.731 0.141 . 1 . . . . . 43 VAL N . 51115 1 186 . 1 . 1 44 44 LYS H H 1 8.445 0.001 . 1 . . . . . 44 LYS H . 51115 1 187 . 1 . 1 44 44 LYS C C 13 175.607 0.172 . 1 . . . . . 44 LYS C . 51115 1 188 . 1 . 1 44 44 LYS CA C 13 55.605 0.153 . 1 . . . . . 44 LYS CA . 51115 1 189 . 1 . 1 44 44 LYS CB C 13 32.957 0.012 . 1 . . . . . 44 LYS CB . 51115 1 190 . 1 . 1 44 44 LYS N N 15 126.184 0.157 . 1 . . . . . 44 LYS N . 51115 1 191 . 1 . 1 45 45 ALA H H 1 8.346 0.001 . 1 . . . . . 45 ALA H . 51115 1 192 . 1 . 1 45 45 ALA CB C 13 18.274 0.000 . 1 . . . . . 45 ALA CB . 51115 1 193 . 1 . 1 45 45 ALA N N 15 127.082 0.139 . 1 . . . . . 45 ALA N . 51115 1 194 . 1 . 1 46 46 PRO C C 13 176.764 0.186 . 1 . . . . . 46 PRO C . 51115 1 195 . 1 . 1 46 46 PRO CA C 13 62.766 0.000 . 1 . . . . . 46 PRO CA . 51115 1 196 . 1 . 1 46 46 PRO CB C 13 32.079 0.000 . 1 . . . . . 46 PRO CB . 51115 1 197 . 1 . 1 47 47 LEU H H 1 8.310 0.008 . 1 . . . . . 47 LEU H . 51115 1 198 . 1 . 1 47 47 LEU C C 13 177.025 0.000 . 1 . . . . . 47 LEU C . 51115 1 199 . 1 . 1 47 47 LEU CA C 13 54.902 0.154 . 1 . . . . . 47 LEU CA . 51115 1 200 . 1 . 1 47 47 LEU CB C 13 42.054 0.000 . 1 . . . . . 47 LEU CB . 51115 1 201 . 1 . 1 47 47 LEU N N 15 122.433 0.110 . 1 . . . . . 47 LEU N . 51115 1 202 . 1 . 1 48 48 ILE H H 1 8.013 0.002 . 1 . . . . . 48 ILE H . 51115 1 203 . 1 . 1 48 48 ILE C C 13 174.523 0.002 . 1 . . . . . 48 ILE C . 51115 1 204 . 1 . 1 48 48 ILE CA C 13 60.467 0.159 . 1 . . . . . 48 ILE CA . 51115 1 205 . 1 . 1 48 48 ILE CB C 13 38.727 0.046 . 1 . . . . . 48 ILE CB . 51115 1 206 . 1 . 1 48 48 ILE N N 15 122.367 0.122 . 1 . . . . . 48 ILE N . 51115 1 207 . 1 . 1 49 49 HIS H H 1 8.215 0.001 . 1 . . . . . 49 HIS H . 51115 1 208 . 1 . 1 49 49 HIS C C 13 173.402 0.000 . 1 . . . . . 49 HIS C . 51115 1 209 . 1 . 1 49 49 HIS CA C 13 53.200 0.000 . 1 . . . . . 49 HIS CA . 51115 1 210 . 1 . 1 49 49 HIS CB C 13 32.351 0.000 . 1 . . . . . 49 HIS CB . 51115 1 211 . 1 . 1 49 49 HIS N N 15 123.601 0.144 . 1 . . . . . 49 HIS N . 51115 1 212 . 1 . 1 50 50 PRO C C 13 176.209 0.000 . 1 . . . . . 50 PRO C . 51115 1 213 . 1 . 1 50 50 PRO CA C 13 62.870 0.000 . 1 . . . . . 50 PRO CA . 51115 1 214 . 1 . 1 50 50 PRO CB C 13 32.136 0.000 . 1 . . . . . 50 PRO CB . 51115 1 215 . 1 . 1 51 51 ALA H H 1 8.485 0.002 . 1 . . . . . 51 ALA H . 51115 1 216 . 1 . 1 51 51 ALA C C 13 175.014 0.000 . 1 . . . . . 51 ALA C . 51115 1 217 . 1 . 1 51 51 ALA CA C 13 50.018 0.000 . 1 . . . . . 51 ALA CA . 51115 1 218 . 1 . 1 51 51 ALA CB C 13 18.216 0.000 . 1 . . . . . 51 ALA CB . 51115 1 219 . 1 . 1 51 51 ALA N N 15 126.133 0.141 . 1 . . . . . 51 ALA N . 51115 1 220 . 1 . 1 53 53 PRO C C 13 176.715 0.000 . 1 . . . . . 53 PRO C . 51115 1 221 . 1 . 1 53 53 PRO CA C 13 62.730 0.000 . 1 . . . . . 53 PRO CA . 51115 1 222 . 1 . 1 53 53 PRO CB C 13 32.029 0.000 . 1 . . . . . 53 PRO CB . 51115 1 223 . 1 . 1 54 54 ILE H H 1 8.258 0.000 . 1 . . . . . 54 ILE H . 51115 1 224 . 1 . 1 54 54 ILE C C 13 176.361 0.000 . 1 . . . . . 54 ILE C . 51115 1 225 . 1 . 1 54 54 ILE CA C 13 60.868 0.152 . 1 . . . . . 54 ILE CA . 51115 1 226 . 1 . 1 54 54 ILE CB C 13 38.551 0.004 . 1 . . . . . 54 ILE CB . 51115 1 227 . 1 . 1 54 54 ILE N N 15 121.316 0.116 . 1 . . . . . 54 ILE N . 51115 1 228 . 1 . 1 55 55 ILE H H 1 8.284 0.023 . 1 . . . . . 55 ILE H . 51115 1 229 . 1 . 1 55 55 ILE C C 13 175.841 0.419 . 1 . . . . . 55 ILE C . 51115 1 230 . 1 . 1 55 55 ILE CA C 13 60.453 0.140 . 1 . . . . . 55 ILE CA . 51115 1 231 . 1 . 1 55 55 ILE CB C 13 38.578 0.002 . 1 . . . . . 55 ILE CB . 51115 1 232 . 1 . 1 55 55 ILE N N 15 125.654 0.160 . 1 . . . . . 55 ILE N . 51115 1 233 . 1 . 1 56 56 SER H H 1 8.509 0.001 . 1 . . . . . 56 SER H . 51115 1 234 . 1 . 1 56 56 SER C C 13 174.839 0.000 . 1 . . . . . 56 SER C . 51115 1 235 . 1 . 1 56 56 SER CA C 13 57.888 0.163 . 1 . . . . . 56 SER CA . 51115 1 236 . 1 . 1 56 56 SER CB C 13 64.618 0.002 . 1 . . . . . 56 SER CB . 51115 1 237 . 1 . 1 56 56 SER N N 15 120.658 0.144 . 1 . . . . . 56 SER N . 51115 1 238 . 1 . 1 57 57 THR H H 1 8.303 0.007 . 1 . . . . . 57 THR H . 51115 1 239 . 1 . 1 57 57 THR C C 13 175.259 0.000 . 1 . . . . . 57 THR C . 51115 1 240 . 1 . 1 57 57 THR CA C 13 61.809 0.157 . 1 . . . . . 57 THR CA . 51115 1 241 . 1 . 1 57 57 THR CB C 13 70.086 0.012 . 1 . . . . . 57 THR CB . 51115 1 242 . 1 . 1 57 57 THR N N 15 115.996 0.095 . 1 . . . . . 57 THR N . 51115 1 243 . 1 . 1 58 58 GLY H H 1 8.438 0.003 . 1 . . . . . 58 GLY H . 51115 1 244 . 1 . 1 58 58 GLY C C 13 174.014 0.003 . 1 . . . . . 58 GLY C . 51115 1 245 . 1 . 1 58 58 GLY CA C 13 45.109 0.158 . 1 . . . . . 58 GLY CA . 51115 1 246 . 1 . 1 58 58 GLY N N 15 111.081 0.118 . 1 . . . . . 58 GLY N . 51115 1 247 . 1 . 1 59 59 ALA H H 1 8.215 0.006 . 1 . . . . . 59 ALA H . 51115 1 248 . 1 . 1 59 59 ALA C C 13 177.757 0.004 . 1 . . . . . 59 ALA C . 51115 1 249 . 1 . 1 59 59 ALA CA C 13 52.414 0.160 . 1 . . . . . 59 ALA CA . 51115 1 250 . 1 . 1 59 59 ALA CB C 13 19.319 0.015 . 1 . . . . . 59 ALA CB . 51115 1 251 . 1 . 1 59 59 ALA N N 15 124.123 0.094 . 1 . . . . . 59 ALA N . 51115 1 252 . 1 . 1 60 60 ALA H H 1 8.358 0.002 . 1 . . . . . 60 ALA H . 51115 1 253 . 1 . 1 60 60 ALA C C 13 176.263 2.100 . 1 . . . . . 60 ALA C . 51115 1 254 . 1 . 1 60 60 ALA CA C 13 52.546 0.181 . 1 . . . . . 60 ALA CA . 51115 1 255 . 1 . 1 60 60 ALA CB C 13 19.218 0.008 . 1 . . . . . 60 ALA CB . 51115 1 256 . 1 . 1 60 60 ALA N N 15 123.057 0.133 . 1 . . . . . 60 ALA N . 51115 1 257 . 1 . 1 61 61 GLY H H 1 8.303 0.001 . 1 . . . . . 61 GLY H . 51115 1 258 . 1 . 1 61 61 GLY CA C 13 45.099 0.159 . 1 . . . . . 61 GLY CA . 51115 1 259 . 1 . 1 61 61 GLY N N 15 107.830 0.117 . 1 . . . . . 61 GLY N . 51115 1 260 . 1 . 1 62 62 LEU H H 1 8.046 0.000 . 1 . . . . . 62 LEU H . 51115 1 261 . 1 . 1 62 62 LEU C C 13 177.302 0.006 . 1 . . . . . 62 LEU C . 51115 1 262 . 1 . 1 62 62 LEU CA C 13 54.878 0.156 . 1 . . . . . 62 LEU CA . 51115 1 263 . 1 . 1 62 62 LEU CB C 13 42.286 0.018 . 1 . . . . . 62 LEU CB . 51115 1 264 . 1 . 1 62 62 LEU N N 15 121.672 0.092 . 1 . . . . . 62 LEU N . 51115 1 265 . 1 . 1 63 63 ALA H H 1 8.322 0.002 . 1 . . . . . 63 ALA H . 51115 1 266 . 1 . 1 63 63 ALA C C 13 177.770 0.005 . 1 . . . . . 63 ALA C . 51115 1 267 . 1 . 1 63 63 ALA CA C 13 52.439 0.166 . 1 . . . . . 63 ALA CA . 51115 1 268 . 1 . 1 63 63 ALA CB C 13 19.198 0.001 . 1 . . . . . 63 ALA CB . 51115 1 269 . 1 . 1 63 63 ALA N N 15 124.640 0.149 . 1 . . . . . 63 ALA N . 51115 1 270 . 1 . 1 64 64 GLU H H 1 8.339 0.001 . 1 . . . . . 64 GLU H . 51115 1 271 . 1 . 1 64 64 GLU C C 13 176.522 0.003 . 1 . . . . . 64 GLU C . 51115 1 272 . 1 . 1 64 64 GLU CA C 13 56.542 0.194 . 1 . . . . . 64 GLU CA . 51115 1 273 . 1 . 1 64 64 GLU CB C 13 30.355 0.068 . 1 . . . . . 64 GLU CB . 51115 1 274 . 1 . 1 64 64 GLU N N 15 119.834 0.127 . 1 . . . . . 64 GLU N . 51115 1 275 . 1 . 1 65 65 GLU H H 1 8.415 0.008 . 1 . . . . . 65 GLU H . 51115 1 276 . 1 . 1 65 65 GLU C C 13 176.342 0.003 . 1 . . . . . 65 GLU C . 51115 1 277 . 1 . 1 65 65 GLU CA C 13 56.264 0.009 . 1 . . . . . 65 GLU CA . 51115 1 278 . 1 . 1 65 65 GLU CB C 13 30.309 0.043 . 1 . . . . . 65 GLU CB . 51115 1 279 . 1 . 1 65 65 GLU N N 15 121.856 0.130 . 1 . . . . . 65 GLU N . 51115 1 280 . 1 . 1 66 66 ILE H H 1 8.214 0.004 . 1 . . . . . 66 ILE H . 51115 1 281 . 1 . 1 66 66 ILE C C 13 176.415 0.020 . 1 . . . . . 66 ILE C . 51115 1 282 . 1 . 1 66 66 ILE CA C 13 60.860 0.155 . 1 . . . . . 66 ILE CA . 51115 1 283 . 1 . 1 66 66 ILE CB C 13 38.378 0.023 . 1 . . . . . 66 ILE CB . 51115 1 284 . 1 . 1 66 66 ILE N N 15 122.557 0.129 . 1 . . . . . 66 ILE N . 51115 1 285 . 1 . 1 67 67 VAL H H 1 8.237 0.002 . 1 . . . . . 67 VAL H . 51115 1 286 . 1 . 1 67 67 VAL C C 13 176.836 0.004 . 1 . . . . . 67 VAL C . 51115 1 287 . 1 . 1 67 67 VAL CA C 13 62.433 0.151 . 1 . . . . . 67 VAL CA . 51115 1 288 . 1 . 1 67 67 VAL CB C 13 32.634 0.011 . 1 . . . . . 67 VAL CB . 51115 1 289 . 1 . 1 67 67 VAL N N 15 124.617 0.147 . 1 . . . . . 67 VAL N . 51115 1 290 . 1 . 1 68 68 GLY H H 1 8.510 0.002 . 1 . . . . . 68 GLY H . 51115 1 291 . 1 . 1 68 68 GLY C C 13 174.234 0.007 . 1 . . . . . 68 GLY C . 51115 1 292 . 1 . 1 68 68 GLY CA C 13 45.107 0.157 . 1 . . . . . 68 GLY CA . 51115 1 293 . 1 . 1 68 68 GLY N N 15 112.508 0.153 . 1 . . . . . 68 GLY N . 51115 1 294 . 1 . 1 69 69 GLN H H 1 8.306 0.006 . 1 . . . . . 69 GLN H . 51115 1 295 . 1 . 1 69 69 GLN C C 13 176.516 0.005 . 1 . . . . . 69 GLN C . 51115 1 296 . 1 . 1 69 69 GLN CA C 13 55.791 0.160 . 1 . . . . . 69 GLN CA . 51115 1 297 . 1 . 1 69 69 GLN CB C 13 29.507 0.004 . 1 . . . . . 69 GLN CB . 51115 1 298 . 1 . 1 69 69 GLN N N 15 119.770 0.079 . 1 . . . . . 69 GLN N . 51115 1 299 . 1 . 1 70 70 GLY H H 1 8.487 0.001 . 1 . . . . . 70 GLY H . 51115 1 300 . 1 . 1 70 70 GLY C C 13 173.932 0.005 . 1 . . . . . 70 GLY C . 51115 1 301 . 1 . 1 70 70 GLY CA C 13 45.059 0.163 . 1 . . . . . 70 GLY CA . 51115 1 302 . 1 . 1 70 70 GLY N N 15 109.664 0.114 . 1 . . . . . 70 GLY N . 51115 1 303 . 1 . 1 71 71 PHE H H 1 8.158 0.007 . 1 . . . . . 71 PHE H . 51115 1 304 . 1 . 1 71 71 PHE C C 13 176.994 0.962 . 1 . . . . . 71 PHE C . 51115 1 305 . 1 . 1 71 71 PHE CA C 13 57.616 0.002 . 1 . . . . . 71 PHE CA . 51115 1 306 . 1 . 1 71 71 PHE CB C 13 39.906 0.024 . 1 . . . . . 71 PHE CB . 51115 1 307 . 1 . 1 71 71 PHE N N 15 120.285 0.082 . 1 . . . . . 71 PHE N . 51115 1 308 . 1 . 1 72 72 THR H H 1 8.128 0.007 . 1 . . . . . 72 THR H . 51115 1 309 . 1 . 1 72 72 THR C C 13 174.087 0.006 . 1 . . . . . 72 THR C . 51115 1 310 . 1 . 1 72 72 THR CA C 13 61.521 0.152 . 1 . . . . . 72 THR CA . 51115 1 311 . 1 . 1 72 72 THR CB C 13 70.354 0.007 . 1 . . . . . 72 THR CB . 51115 1 312 . 1 . 1 72 72 THR N N 15 116.582 0.116 . 1 . . . . . 72 THR N . 51115 1 313 . 1 . 1 73 73 ALA H H 1 8.368 0.002 . 1 . . . . . 73 ALA H . 51115 1 314 . 1 . 1 73 73 ALA CA C 13 52.601 0.158 . 1 . . . . . 73 ALA CA . 51115 1 315 . 1 . 1 73 73 ALA CB C 13 19.203 0.005 . 1 . . . . . 73 ALA CB . 51115 1 316 . 1 . 1 73 73 ALA N N 15 126.684 0.139 . 1 . . . . . 73 ALA N . 51115 1 317 . 1 . 1 74 74 SER H H 1 8.286 0.005 . 1 . . . . . 74 SER H . 51115 1 318 . 1 . 1 74 74 SER C C 13 174.629 0.005 . 1 . . . . . 74 SER C . 51115 1 319 . 1 . 1 74 74 SER CA C 13 58.462 0.157 . 1 . . . . . 74 SER CA . 51115 1 320 . 1 . 1 74 74 SER CB C 13 64.473 0.005 . 1 . . . . . 74 SER CB . 51115 1 321 . 1 . 1 74 74 SER N N 15 115.025 0.112 . 1 . . . . . 74 SER N . 51115 1 322 . 1 . 1 75 75 ALA H H 1 8.276 0.005 . 1 . . . . . 75 ALA H . 51115 1 323 . 1 . 1 75 75 ALA C C 13 177.620 0.005 . 1 . . . . . 75 ALA C . 51115 1 324 . 1 . 1 75 75 ALA CA C 13 52.527 0.162 . 1 . . . . . 75 ALA CA . 51115 1 325 . 1 . 1 75 75 ALA CB C 13 19.193 0.007 . 1 . . . . . 75 ALA CB . 51115 1 326 . 1 . 1 75 75 ALA N N 15 125.811 0.121 . 1 . . . . . 75 ALA N . 51115 1 327 . 1 . 1 76 76 ALA H H 1 8.147 0.004 . 1 . . . . . 76 ALA H . 51115 1 328 . 1 . 1 76 76 ALA C C 13 177.827 0.006 . 1 . . . . . 76 ALA C . 51115 1 329 . 1 . 1 76 76 ALA CA C 13 52.434 0.146 . 1 . . . . . 76 ALA CA . 51115 1 330 . 1 . 1 76 76 ALA CB C 13 19.197 0.000 . 1 . . . . . 76 ALA CB . 51115 1 331 . 1 . 1 76 76 ALA N N 15 122.559 0.123 . 1 . . . . . 76 ALA N . 51115 1 332 . 1 . 1 77 77 ARG H H 1 8.189 0.001 . 1 . . . . . 77 ARG H . 51115 1 333 . 1 . 1 77 77 ARG C C 13 176.492 0.006 . 1 . . . . . 77 ARG C . 51115 1 334 . 1 . 1 77 77 ARG CA C 13 55.976 0.156 . 1 . . . . . 77 ARG CA . 51115 1 335 . 1 . 1 77 77 ARG CB C 13 30.646 0.000 . 1 . . . . . 77 ARG CB . 51115 1 336 . 1 . 1 77 77 ARG N N 15 120.168 0.123 . 1 . . . . . 77 ARG N . 51115 1 337 . 1 . 1 78 78 ILE C C 13 176.464 0.000 . 1 . . . . . 78 ILE C . 51115 1 338 . 1 . 1 79 79 SER H H 1 8.432 0.002 . 1 . . . . . 79 SER H . 51115 1 339 . 1 . 1 79 79 SER C C 13 175.051 0.010 . 1 . . . . . 79 SER C . 51115 1 340 . 1 . 1 79 79 SER CA C 13 58.240 0.175 . 1 . . . . . 79 SER CA . 51115 1 341 . 1 . 1 79 79 SER CB C 13 64.626 0.003 . 1 . . . . . 79 SER CB . 51115 1 342 . 1 . 1 79 79 SER N N 15 119.711 0.132 . 1 . . . . . 79 SER N . 51115 1 343 . 1 . 1 80 80 GLY H H 1 8.501 0.001 . 1 . . . . . 80 GLY H . 51115 1 344 . 1 . 1 80 80 GLY C C 13 174.699 0.001 . 1 . . . . . 80 GLY C . 51115 1 345 . 1 . 1 80 80 GLY CA C 13 45.211 0.166 . 1 . . . . . 80 GLY CA . 51115 1 346 . 1 . 1 80 80 GLY N N 15 111.279 0.103 . 1 . . . . . 80 GLY N . 51115 1 347 . 1 . 1 81 81 GLY H H 1 8.341 0.004 . 1 . . . . . 81 GLY H . 51115 1 348 . 1 . 1 81 81 GLY C C 13 174.407 0.003 . 1 . . . . . 81 GLY C . 51115 1 349 . 1 . 1 81 81 GLY CA C 13 45.090 0.125 . 1 . . . . . 81 GLY CA . 51115 1 350 . 1 . 1 81 81 GLY N N 15 108.702 0.092 . 1 . . . . . 81 GLY N . 51115 1 351 . 1 . 1 82 82 THR H H 1 8.157 0.006 . 1 . . . . . 82 THR H . 51115 1 352 . 1 . 1 82 82 THR C C 13 174.399 0.004 . 1 . . . . . 82 THR C . 51115 1 353 . 1 . 1 82 82 THR CA C 13 61.611 0.145 . 1 . . . . . 82 THR CA . 51115 1 354 . 1 . 1 82 82 THR CB C 13 70.218 0.023 . 1 . . . . . 82 THR CB . 51115 1 355 . 1 . 1 82 82 THR N N 15 113.855 0.092 . 1 . . . . . 82 THR N . 51115 1 356 . 1 . 1 83 83 ALA H H 1 8.394 0.004 . 1 . . . . . 83 ALA H . 51115 1 357 . 1 . 1 83 83 ALA C C 13 177.591 0.006 . 1 . . . . . 83 ALA C . 51115 1 358 . 1 . 1 83 83 ALA CA C 13 52.342 0.159 . 1 . . . . . 83 ALA CA . 51115 1 359 . 1 . 1 83 83 ALA CB C 13 19.341 0.038 . 1 . . . . . 83 ALA CB . 51115 1 360 . 1 . 1 83 83 ALA N N 15 126.296 0.129 . 1 . . . . . 83 ALA N . 51115 1 361 . 1 . 1 84 84 GLU H H 1 8.351 0.018 . 1 . . . . . 84 GLU H . 51115 1 362 . 1 . 1 84 84 GLU CA C 13 56.240 0.160 . 1 . . . . . 84 GLU CA . 51115 1 363 . 1 . 1 84 84 GLU CB C 13 30.310 0.011 . 1 . . . . . 84 GLU CB . 51115 1 364 . 1 . 1 84 84 GLU N N 15 120.413 0.130 . 1 . . . . . 84 GLU N . 51115 1 365 . 1 . 1 85 85 VAL H H 1 8.143 0.002 . 1 . . . . . 85 VAL H . 51115 1 366 . 1 . 1 85 85 VAL C C 13 175.776 0.005 . 1 . . . . . 85 VAL C . 51115 1 367 . 1 . 1 85 85 VAL CA C 13 62.037 0.151 . 1 . . . . . 85 VAL CA . 51115 1 368 . 1 . 1 85 85 VAL CB C 13 32.822 0.005 . 1 . . . . . 85 VAL CB . 51115 1 369 . 1 . 1 85 85 VAL N N 15 121.366 0.149 . 1 . . . . . 85 VAL N . 51115 1 370 . 1 . 1 86 86 HIS H H 1 8.557 0.002 . 1 . . . . . 86 HIS H . 51115 1 371 . 1 . 1 86 86 HIS C C 13 174.547 0.008 . 1 . . . . . 86 HIS C . 51115 1 372 . 1 . 1 86 86 HIS CA C 13 55.147 0.157 . 1 . . . . . 86 HIS CA . 51115 1 373 . 1 . 1 86 86 HIS CB C 13 30.145 0.010 . 1 . . . . . 86 HIS CB . 51115 1 374 . 1 . 1 86 86 HIS N N 15 123.147 0.140 . 1 . . . . . 86 HIS N . 51115 1 375 . 1 . 1 87 87 LEU H H 1 8.320 0.002 . 1 . . . . . 87 LEU H . 51115 1 376 . 1 . 1 87 87 LEU C C 13 176.950 0.005 . 1 . . . . . 87 LEU C . 51115 1 377 . 1 . 1 87 87 LEU CA C 13 54.722 0.157 . 1 . . . . . 87 LEU CA . 51115 1 378 . 1 . 1 87 87 LEU CB C 13 42.266 0.017 . 1 . . . . . 87 LEU CB . 51115 1 379 . 1 . 1 87 87 LEU N N 15 124.141 0.119 . 1 . . . . . 87 LEU N . 51115 1 380 . 1 . 1 88 88 GLN H H 1 8.450 0.002 . 1 . . . . . 88 GLN H . 51115 1 381 . 1 . 1 88 88 GLN C C 13 174.069 0.000 . 1 . . . . . 88 GLN C . 51115 1 382 . 1 . 1 88 88 GLN CA C 13 53.228 0.000 . 1 . . . . . 88 GLN CA . 51115 1 383 . 1 . 1 88 88 GLN CB C 13 28.909 0.000 . 1 . . . . . 88 GLN CB . 51115 1 384 . 1 . 1 88 88 GLN N N 15 122.383 0.128 . 1 . . . . . 88 GLN N . 51115 1 385 . 1 . 1 89 89 PRO C C 13 177.110 0.000 . 1 . . . . . 89 PRO C . 51115 1 386 . 1 . 1 89 89 PRO CA C 13 63.313 0.000 . 1 . . . . . 89 PRO CA . 51115 1 387 . 1 . 1 89 89 PRO CB C 13 32.119 0.000 . 1 . . . . . 89 PRO CB . 51115 1 388 . 1 . 1 90 90 SER H H 1 8.425 0.003 . 1 . . . . . 90 SER H . 51115 1 389 . 1 . 1 90 90 SER C C 13 174.718 0.008 . 1 . . . . . 90 SER C . 51115 1 390 . 1 . 1 90 90 SER CB C 13 64.608 0.004 . 1 . . . . . 90 SER CB . 51115 1 391 . 1 . 1 90 90 SER N N 15 116.207 0.113 . 1 . . . . . 90 SER N . 51115 1 392 . 1 . 1 91 91 ALA H H 1 8.422 0.001 . 1 . . . . . 91 ALA H . 51115 1 393 . 1 . 1 91 91 ALA C C 13 177.802 0.003 . 1 . . . . . 91 ALA C . 51115 1 394 . 1 . 1 91 91 ALA CA C 13 52.715 0.159 . 1 . . . . . 91 ALA CA . 51115 1 395 . 1 . 1 91 91 ALA CB C 13 19.198 0.003 . 1 . . . . . 91 ALA CB . 51115 1 396 . 1 . 1 91 91 ALA N N 15 125.963 0.119 . 1 . . . . . 91 ALA N . 51115 1 397 . 1 . 1 92 92 ALA H H 1 8.212 0.002 . 1 . . . . . 92 ALA H . 51115 1 398 . 1 . 1 92 92 ALA C C 13 178.140 0.000 . 1 . . . . . 92 ALA C . 51115 1 399 . 1 . 1 92 92 ALA CA C 13 52.587 0.144 . 1 . . . . . 92 ALA CA . 51115 1 400 . 1 . 1 92 92 ALA CB C 13 19.118 0.003 . 1 . . . . . 92 ALA CB . 51115 1 401 . 1 . 1 92 92 ALA N N 15 122.303 0.132 . 1 . . . . . 92 ALA N . 51115 1 402 . 1 . 1 93 93 MET H H 1 8.229 0.004 . 1 . . . . . 93 MET H . 51115 1 403 . 1 . 1 93 93 MET C C 13 177.012 0.006 . 1 . . . . . 93 MET C . 51115 1 404 . 1 . 1 93 93 MET CA C 13 55.736 0.150 . 1 . . . . . 93 MET CA . 51115 1 405 . 1 . 1 93 93 MET CB C 13 33.413 0.012 . 1 . . . . . 93 MET CB . 51115 1 406 . 1 . 1 93 93 MET N N 15 119.428 0.122 . 1 . . . . . 93 MET N . 51115 1 407 . 1 . 1 94 94 THR H H 1 8.084 0.008 . 1 . . . . . 94 THR H . 51115 1 408 . 1 . 1 94 94 THR C C 13 175.244 0.008 . 1 . . . . . 94 THR C . 51115 1 409 . 1 . 1 94 94 THR CA C 13 61.827 0.158 . 1 . . . . . 94 THR CA . 51115 1 410 . 1 . 1 94 94 THR CB C 13 70.662 0.003 . 1 . . . . . 94 THR CB . 51115 1 411 . 1 . 1 94 94 THR N N 15 114.566 0.099 . 1 . . . . . 94 THR N . 51115 1 412 . 1 . 1 95 95 GLU H H 1 8.679 0.007 . 1 . . . . . 95 GLU H . 51115 1 413 . 1 . 1 95 95 GLU C C 13 178.280 0.010 . 1 . . . . . 95 GLU C . 51115 1 414 . 1 . 1 95 95 GLU CA C 13 58.270 0.159 . 1 . . . . . 95 GLU CA . 51115 1 415 . 1 . 1 95 95 GLU CB C 13 29.540 0.004 . 1 . . . . . 95 GLU CB . 51115 1 416 . 1 . 1 95 95 GLU N N 15 122.319 0.115 . 1 . . . . . 95 GLU N . 51115 1 417 . 1 . 1 96 96 GLU H H 1 8.555 0.004 . 1 . . . . . 96 GLU H . 51115 1 418 . 1 . 1 96 96 GLU C C 13 177.753 0.005 . 1 . . . . . 96 GLU C . 51115 1 419 . 1 . 1 96 96 GLU CA C 13 58.625 0.173 . 1 . . . . . 96 GLU CA . 51115 1 420 . 1 . 1 96 96 GLU CB C 13 29.504 0.005 . 1 . . . . . 96 GLU CB . 51115 1 421 . 1 . 1 96 96 GLU N N 15 120.122 0.091 . 1 . . . . . 96 GLU N . 51115 1 422 . 1 . 1 97 97 ALA H H 1 8.011 0.015 . 1 . . . . . 97 ALA H . 51115 1 423 . 1 . 1 97 97 ALA C C 13 180.036 0.008 . 1 . . . . . 97 ALA C . 51115 1 424 . 1 . 1 97 97 ALA CA C 13 53.939 0.155 . 1 . . . . . 97 ALA CA . 51115 1 425 . 1 . 1 97 97 ALA CB C 13 18.737 0.033 . 1 . . . . . 97 ALA CB . 51115 1 426 . 1 . 1 97 97 ALA N N 15 122.719 0.095 . 1 . . . . . 97 ALA N . 51115 1 427 . 1 . 1 98 98 ARG H H 1 8.227 0.008 . 1 . . . . . 98 ARG H . 51115 1 428 . 1 . 1 98 98 ARG C C 13 178.537 0.016 . 1 . . . . . 98 ARG C . 51115 1 429 . 1 . 1 98 98 ARG CA C 13 58.237 0.135 . 1 . . . . . 98 ARG CA . 51115 1 430 . 1 . 1 98 98 ARG CB C 13 30.091 0.000 . 1 . . . . . 98 ARG CB . 51115 1 431 . 1 . 1 98 98 ARG N N 15 119.757 0.117 . 1 . . . . . 98 ARG N . 51115 1 432 . 1 . 1 99 99 ARG H H 1 8.289 0.015 . 1 . . . . . 99 ARG H . 51115 1 433 . 1 . 1 99 99 ARG C C 13 178.537 0.020 . 1 . . . . . 99 ARG C . 51115 1 434 . 1 . 1 99 99 ARG CA C 13 58.098 0.175 . 1 . . . . . 99 ARG CA . 51115 1 435 . 1 . 1 99 99 ARG CB C 13 30.085 0.011 . 1 . . . . . 99 ARG CB . 51115 1 436 . 1 . 1 99 99 ARG N N 15 120.737 0.117 . 1 . . . . . 99 ARG N . 51115 1 437 . 1 . 1 100 100 ASP H H 1 8.300 0.009 . 1 . . . . . 100 ASP H . 51115 1 438 . 1 . 1 100 100 ASP C C 13 177.946 0.007 . 1 . . . . . 100 ASP C . 51115 1 439 . 1 . 1 100 100 ASP CA C 13 56.390 0.011 . 1 . . . . . 100 ASP CA . 51115 1 440 . 1 . 1 100 100 ASP CB C 13 40.837 0.006 . 1 . . . . . 100 ASP CB . 51115 1 441 . 1 . 1 100 100 ASP N N 15 120.668 0.064 . 1 . . . . . 100 ASP N . 51115 1 442 . 1 . 1 101 101 GLN H H 1 8.213 0.017 . 1 . . . . . 101 GLN H . 51115 1 443 . 1 . 1 101 101 GLN C C 13 177.936 0.000 . 1 . . . . . 101 GLN C . 51115 1 444 . 1 . 1 101 101 GLN CA C 13 57.710 0.000 . 1 . . . . . 101 GLN CA . 51115 1 445 . 1 . 1 101 101 GLN CB C 13 28.771 0.000 . 1 . . . . . 101 GLN CB . 51115 1 446 . 1 . 1 101 101 GLN N N 15 120.158 0.250 . 1 . . . . . 101 GLN N . 51115 1 447 . 1 . 1 102 102 GLU H H 1 8.321 0.038 . 1 . . . . . 102 GLU H . 51115 1 448 . 1 . 1 102 102 GLU C C 13 177.945 0.011 . 1 . . . . . 102 GLU C . 51115 1 449 . 1 . 1 102 102 GLU CA C 13 56.676 0.031 . 1 . . . . . 102 GLU CA . 51115 1 450 . 1 . 1 102 102 GLU CB C 13 28.766 0.012 . 1 . . . . . 102 GLU CB . 51115 1 451 . 1 . 1 102 102 GLU N N 15 119.864 0.445 . 1 . . . . . 102 GLU N . 51115 1 452 . 1 . 1 103 103 ARG H H 1 8.206 0.028 . 1 . . . . . 103 ARG H . 51115 1 453 . 1 . 1 103 103 ARG C C 13 178.261 0.001 . 1 . . . . . 103 ARG C . 51115 1 454 . 1 . 1 103 103 ARG CA C 13 58.172 0.180 . 1 . . . . . 103 ARG CA . 51115 1 455 . 1 . 1 103 103 ARG CB C 13 29.867 0.052 . 1 . . . . . 103 ARG CB . 51115 1 456 . 1 . 1 103 103 ARG N N 15 120.865 0.493 . 1 . . . . . 103 ARG N . 51115 1 457 . 1 . 1 104 104 TYR H H 1 8.124 0.005 . 1 . . . . . 104 TYR H . 51115 1 458 . 1 . 1 104 104 TYR C C 13 177.354 0.014 . 1 . . . . . 104 TYR C . 51115 1 459 . 1 . 1 104 104 TYR CA C 13 59.920 0.159 . 1 . . . . . 104 TYR CA . 51115 1 460 . 1 . 1 104 104 TYR CB C 13 38.286 0.008 . 1 . . . . . 104 TYR CB . 51115 1 461 . 1 . 1 104 104 TYR N N 15 120.057 0.117 . 1 . . . . . 104 TYR N . 51115 1 462 . 1 . 1 105 105 ARG H H 1 8.196 0.003 . 1 . . . . . 105 ARG H . 51115 1 463 . 1 . 1 105 105 ARG C C 13 178.503 0.012 . 1 . . . . . 105 ARG C . 51115 1 464 . 1 . 1 105 105 ARG CA C 13 58.459 0.000 . 1 . . . . . 105 ARG CA . 51115 1 465 . 1 . 1 105 105 ARG CB C 13 30.007 0.016 . 1 . . . . . 105 ARG CB . 51115 1 466 . 1 . 1 105 105 ARG N N 15 120.494 0.098 . 1 . . . . . 105 ARG N . 51115 1 467 . 1 . 1 106 106 GLN H H 1 8.254 0.008 . 1 . . . . . 106 GLN H . 51115 1 468 . 1 . 1 106 106 GLN C C 13 178.477 0.008 . 1 . . . . . 106 GLN C . 51115 1 469 . 1 . 1 106 106 GLN CA C 13 57.837 0.148 . 1 . . . . . 106 GLN CA . 51115 1 470 . 1 . 1 106 106 GLN CB C 13 28.663 0.030 . 1 . . . . . 106 GLN CB . 51115 1 471 . 1 . 1 106 106 GLN N N 15 119.381 0.105 . 1 . . . . . 106 GLN N . 51115 1 472 . 1 . 1 107 107 GLU H H 1 8.368 0.007 . 1 . . . . . 107 GLU H . 51115 1 473 . 1 . 1 107 107 GLU C C 13 178.565 0.012 . 1 . . . . . 107 GLU C . 51115 1 474 . 1 . 1 107 107 GLU CA C 13 58.192 0.174 . 1 . . . . . 107 GLU CA . 51115 1 475 . 1 . 1 107 107 GLU CB C 13 29.551 0.025 . 1 . . . . . 107 GLU CB . 51115 1 476 . 1 . 1 107 107 GLU N N 15 121.442 0.110 . 1 . . . . . 107 GLU N . 51115 1 477 . 1 . 1 108 108 GLN H H 1 8.263 0.006 . 1 . . . . . 108 GLN H . 51115 1 478 . 1 . 1 108 108 GLN CA C 13 57.264 0.150 . 1 . . . . . 108 GLN CA . 51115 1 479 . 1 . 1 108 108 GLN CB C 13 28.707 0.015 . 1 . . . . . 108 GLN CB . 51115 1 480 . 1 . 1 108 108 GLN N N 15 118.761 0.113 . 1 . . . . . 108 GLN N . 51115 1 481 . 1 . 1 109 109 GLU H H 1 8.307 0.009 . 1 . . . . . 109 GLU H . 51115 1 482 . 1 . 1 109 109 GLU C C 13 178.057 0.023 . 1 . . . . . 109 GLU C . 51115 1 483 . 1 . 1 109 109 GLU CA C 13 57.975 0.134 . 1 . . . . . 109 GLU CA . 51115 1 484 . 1 . 1 109 109 GLU CB C 13 29.749 0.009 . 1 . . . . . 109 GLU CB . 51115 1 485 . 1 . 1 109 109 GLU N N 15 120.840 0.141 . 1 . . . . . 109 GLU N . 51115 1 486 . 1 . 1 110 110 SER H H 1 8.139 0.014 . 1 . . . . . 110 SER H . 51115 1 487 . 1 . 1 110 110 SER C C 13 176.599 0.001 . 1 . . . . . 110 SER C . 51115 1 488 . 1 . 1 110 110 SER CA C 13 60.160 0.168 . 1 . . . . . 110 SER CA . 51115 1 489 . 1 . 1 110 110 SER CB C 13 63.982 0.011 . 1 . . . . . 110 SER CB . 51115 1 490 . 1 . 1 110 110 SER N N 15 115.989 0.099 . 1 . . . . . 110 SER N . 51115 1 491 . 1 . 1 111 111 ILE H H 1 8.086 0.009 . 1 . . . . . 111 ILE H . 51115 1 492 . 1 . 1 111 111 ILE C C 13 177.771 0.003 . 1 . . . . . 111 ILE C . 51115 1 493 . 1 . 1 111 111 ILE CA C 13 63.362 0.148 . 1 . . . . . 111 ILE CA . 51115 1 494 . 1 . 1 111 111 ILE CB C 13 38.244 0.003 . 1 . . . . . 111 ILE CB . 51115 1 495 . 1 . 1 111 111 ILE N N 15 123.090 0.019 . 1 . . . . . 111 ILE N . 51115 1 496 . 1 . 1 112 112 ALA H H 1 8.063 0.014 . 1 . . . . . 112 ALA H . 51115 1 497 . 1 . 1 112 112 ALA C C 13 180.059 0.014 . 1 . . . . . 112 ALA C . 51115 1 498 . 1 . 1 112 112 ALA CA C 13 54.182 0.123 . 1 . . . . . 112 ALA CA . 51115 1 499 . 1 . 1 112 112 ALA CB C 13 18.564 0.007 . 1 . . . . . 112 ALA CB . 51115 1 500 . 1 . 1 112 112 ALA N N 15 124.015 0.101 . 1 . . . . . 112 ALA N . 51115 1 501 . 1 . 1 113 113 LYS H H 1 8.107 0.014 . 1 . . . . . 113 LYS H . 51115 1 502 . 1 . 1 113 113 LYS CA C 13 57.603 0.123 . 1 . . . . . 113 LYS CA . 51115 1 503 . 1 . 1 113 113 LYS CB C 13 32.245 0.004 . 1 . . . . . 113 LYS CB . 51115 1 504 . 1 . 1 113 113 LYS N N 15 119.370 1.445 . 1 . . . . . 113 LYS N . 51115 1 505 . 1 . 1 114 114 GLN H H 1 8.132 0.016 . 1 . . . . . 114 GLN H . 51115 1 506 . 1 . 1 114 114 GLN C C 13 178.217 0.051 . 1 . . . . . 114 GLN C . 51115 1 507 . 1 . 1 114 114 GLN CA C 13 57.812 0.179 . 1 . . . . . 114 GLN CA . 51115 1 508 . 1 . 1 114 114 GLN CB C 13 28.701 0.067 . 1 . . . . . 114 GLN CB . 51115 1 509 . 1 . 1 114 114 GLN N N 15 120.322 0.108 . 1 . . . . . 114 GLN N . 51115 1 510 . 1 . 1 115 115 GLN H H 1 8.240 0.012 . 1 . . . . . 115 GLN H . 51115 1 511 . 1 . 1 115 115 GLN C C 13 178.235 0.003 . 1 . . . . . 115 GLN C . 51115 1 512 . 1 . 1 115 115 GLN CA C 13 58.016 0.006 . 1 . . . . . 115 GLN CA . 51115 1 513 . 1 . 1 115 115 GLN CB C 13 29.560 0.053 . 1 . . . . . 115 GLN CB . 51115 1 514 . 1 . 1 115 115 GLN N N 15 120.663 0.113 . 1 . . . . . 115 GLN N . 51115 1 515 . 1 . 1 116 116 GLU H H 1 8.116 0.008 . 1 . . . . . 116 GLU H . 51115 1 516 . 1 . 1 116 116 GLU C C 13 177.936 0.000 . 1 . . . . . 116 GLU C . 51115 1 517 . 1 . 1 116 116 GLU CA C 13 58.536 0.000 . 1 . . . . . 116 GLU CA . 51115 1 518 . 1 . 1 116 116 GLU CB C 13 29.978 0.000 . 1 . . . . . 116 GLU CB . 51115 1 519 . 1 . 1 116 116 GLU N N 15 120.462 0.113 . 1 . . . . . 116 GLU N . 51115 1 520 . 1 . 1 119 119 MET CA C 13 57.693 0.000 . 1 . . . . . 119 MET CA . 51115 1 521 . 1 . 1 119 119 MET CB C 13 30.264 0.000 . 1 . . . . . 119 MET CB . 51115 1 522 . 1 . 1 120 120 GLU H H 1 8.260 0.000 . 1 . . . . . 120 GLU H . 51115 1 523 . 1 . 1 120 120 GLU C C 13 178.312 0.013 . 1 . . . . . 120 GLU C . 51115 1 524 . 1 . 1 120 120 GLU CA C 13 57.732 0.143 . 1 . . . . . 120 GLU CA . 51115 1 525 . 1 . 1 120 120 GLU CB C 13 29.654 0.000 . 1 . . . . . 120 GLU CB . 51115 1 526 . 1 . 1 120 120 GLU N N 15 120.181 0.112 . 1 . . . . . 120 GLU N . 51115 1 527 . 1 . 1 121 121 LYS H H 1 8.193 0.013 . 1 . . . . . 121 LYS H . 51115 1 528 . 1 . 1 121 121 LYS C C 13 177.919 0.078 . 1 . . . . . 121 LYS C . 51115 1 529 . 1 . 1 121 121 LYS CA C 13 56.688 0.167 . 1 . . . . . 121 LYS CA . 51115 1 530 . 1 . 1 121 121 LYS CB C 13 32.588 0.036 . 1 . . . . . 121 LYS CB . 51115 1 531 . 1 . 1 121 121 LYS N N 15 119.745 0.094 . 1 . . . . . 121 LYS N . 51115 1 532 . 1 . 1 122 122 LYS H H 1 8.235 0.008 . 1 . . . . . 122 LYS H . 51115 1 533 . 1 . 1 122 122 LYS C C 13 176.491 0.000 . 1 . . . . . 122 LYS C . 51115 1 534 . 1 . 1 122 122 LYS CA C 13 57.347 0.029 . 1 . . . . . 122 LYS CA . 51115 1 535 . 1 . 1 122 122 LYS CB C 13 32.588 0.001 . 1 . . . . . 122 LYS CB . 51115 1 536 . 1 . 1 122 122 LYS N N 15 121.459 0.089 . 1 . . . . . 122 LYS N . 51115 1 537 . 1 . 1 123 123 THR H H 1 8.156 0.005 . 1 . . . . . 123 THR H . 51115 1 538 . 1 . 1 123 123 THR N N 15 114.746 0.112 . 1 . . . . . 123 THR N . 51115 1 539 . 1 . 1 124 124 GLU H H 1 8.440 0.005 . 1 . . . . . 124 GLU H . 51115 1 540 . 1 . 1 124 124 GLU C C 13 177.514 0.008 . 1 . . . . . 124 GLU C . 51115 1 541 . 1 . 1 124 124 GLU CA C 13 57.768 0.151 . 1 . . . . . 124 GLU CA . 51115 1 542 . 1 . 1 124 124 GLU CB C 13 29.990 0.081 . 1 . . . . . 124 GLU CB . 51115 1 543 . 1 . 1 124 124 GLU N N 15 122.909 0.123 . 1 . . . . . 124 GLU N . 51115 1 544 . 1 . 1 125 125 ALA H H 1 8.197 0.011 . 1 . . . . . 125 ALA H . 51115 1 545 . 1 . 1 125 125 ALA C C 13 179.347 0.010 . 1 . . . . . 125 ALA C . 51115 1 546 . 1 . 1 125 125 ALA CA C 13 53.795 0.156 . 1 . . . . . 125 ALA CA . 51115 1 547 . 1 . 1 125 125 ALA CB C 13 18.661 0.014 . 1 . . . . . 125 ALA CB . 51115 1 548 . 1 . 1 125 125 ALA N N 15 122.685 0.084 . 1 . . . . . 125 ALA N . 51115 1 549 . 1 . 1 126 126 TYR H H 1 8.063 0.007 . 1 . . . . . 126 TYR H . 51115 1 550 . 1 . 1 126 126 TYR C C 13 177.254 0.007 . 1 . . . . . 126 TYR C . 51115 1 551 . 1 . 1 126 126 TYR CA C 13 59.260 0.157 . 1 . . . . . 126 TYR CA . 51115 1 552 . 1 . 1 126 126 TYR CB C 13 38.502 0.044 . 1 . . . . . 126 TYR CB . 51115 1 553 . 1 . 1 126 126 TYR N N 15 119.081 0.113 . 1 . . . . . 126 TYR N . 51115 1 554 . 1 . 1 127 127 ARG H H 1 8.127 0.003 . 1 . . . . . 127 ARG H . 51115 1 555 . 1 . 1 127 127 ARG C C 13 177.633 0.003 . 1 . . . . . 127 ARG C . 51115 1 556 . 1 . 1 127 127 ARG CA C 13 57.582 0.163 . 1 . . . . . 127 ARG CA . 51115 1 557 . 1 . 1 127 127 ARG CB C 13 30.305 0.013 . 1 . . . . . 127 ARG CB . 51115 1 558 . 1 . 1 127 127 ARG N N 15 121.580 0.098 . 1 . . . . . 127 ARG N . 51115 1 559 . 1 . 1 128 128 LYS H H 1 8.266 0.004 . 1 . . . . . 128 LYS H . 51115 1 560 . 1 . 1 128 128 LYS CA C 13 57.866 0.244 . 1 . . . . . 128 LYS CA . 51115 1 561 . 1 . 1 128 128 LYS CB C 13 32.389 0.016 . 1 . . . . . 128 LYS CB . 51115 1 562 . 1 . 1 128 128 LYS N N 15 120.441 0.123 . 1 . . . . . 128 LYS N . 51115 1 563 . 1 . 1 129 129 THR H H 1 8.072 0.006 . 1 . . . . . 129 THR H . 51115 1 564 . 1 . 1 129 129 THR CA C 13 63.872 0.153 . 1 . . . . . 129 THR CA . 51115 1 565 . 1 . 1 129 129 THR CB C 13 69.794 0.082 . 1 . . . . . 129 THR CB . 51115 1 566 . 1 . 1 129 129 THR N N 15 116.125 0.160 . 1 . . . . . 129 THR N . 51115 1 567 . 1 . 1 130 130 ALA H H 1 8.346 0.009 . 1 . . . . . 130 ALA H . 51115 1 568 . 1 . 1 130 130 ALA C C 13 180.310 0.007 . 1 . . . . . 130 ALA C . 51115 1 569 . 1 . 1 130 130 ALA CA C 13 54.100 0.156 . 1 . . . . . 130 ALA CA . 51115 1 570 . 1 . 1 130 130 ALA CB C 13 18.437 0.006 . 1 . . . . . 130 ALA CB . 51115 1 571 . 1 . 1 130 130 ALA N N 15 125.495 0.111 . 1 . . . . . 130 ALA N . 51115 1 572 . 1 . 1 131 131 GLU H H 1 8.445 0.004 . 1 . . . . . 131 GLU H . 51115 1 573 . 1 . 1 131 131 GLU C C 13 178.399 0.005 . 1 . . . . . 131 GLU C . 51115 1 574 . 1 . 1 131 131 GLU CA C 13 58.270 0.179 . 1 . . . . . 131 GLU CA . 51115 1 575 . 1 . 1 131 131 GLU CB C 13 29.619 0.005 . 1 . . . . . 131 GLU CB . 51115 1 576 . 1 . 1 131 131 GLU N N 15 119.831 0.106 . 1 . . . . . 131 GLU N . 51115 1 577 . 1 . 1 132 132 ALA H H 1 8.180 0.096 . 1 . . . . . 132 ALA H . 51115 1 578 . 1 . 1 132 132 ALA C C 13 180.583 0.007 . 1 . . . . . 132 ALA C . 51115 1 579 . 1 . 1 132 132 ALA CA C 13 54.163 0.130 . 1 . . . . . 132 ALA CA . 51115 1 580 . 1 . 1 132 132 ALA CB C 13 18.521 0.002 . 1 . . . . . 132 ALA CB . 51115 1 581 . 1 . 1 132 132 ALA N N 15 123.380 0.102 . 1 . . . . . 132 ALA N . 51115 1 582 . 1 . 1 133 133 GLU H H 1 8.289 0.000 . 1 . . . . . 133 GLU H . 51115 1 583 . 1 . 1 133 133 GLU C C 13 178.258 0.012 . 1 . . . . . 133 GLU C . 51115 1 584 . 1 . 1 133 133 GLU CA C 13 58.312 0.159 . 1 . . . . . 133 GLU CA . 51115 1 585 . 1 . 1 133 133 GLU CB C 13 29.520 0.039 . 1 . . . . . 133 GLU CB . 51115 1 586 . 1 . 1 133 133 GLU N N 15 119.993 0.121 . 1 . . . . . 133 GLU N . 51115 1 587 . 1 . 1 134 134 ALA H H 1 8.103 0.011 . 1 . . . . . 134 ALA H . 51115 1 588 . 1 . 1 134 134 ALA C C 13 180.443 0.009 . 1 . . . . . 134 ALA C . 51115 1 589 . 1 . 1 134 134 ALA CA C 13 54.709 0.133 . 1 . . . . . 134 ALA CA . 51115 1 590 . 1 . 1 134 134 ALA CB C 13 18.278 0.019 . 1 . . . . . 134 ALA CB . 51115 1 591 . 1 . 1 134 134 ALA N N 15 121.861 0.084 . 1 . . . . . 134 ALA N . 51115 1 592 . 1 . 1 135 135 GLU H H 1 8.102 0.013 . 1 . . . . . 135 GLU H . 51115 1 593 . 1 . 1 135 135 GLU C C 13 177.734 0.003 . 1 . . . . . 135 GLU C . 51115 1 594 . 1 . 1 135 135 GLU CA C 13 58.089 0.195 . 1 . . . . . 135 GLU CA . 51115 1 595 . 1 . 1 135 135 GLU CB C 13 29.549 0.027 . 1 . . . . . 135 GLU CB . 51115 1 596 . 1 . 1 135 135 GLU N N 15 119.389 0.109 . 1 . . . . . 135 GLU N . 51115 1 597 . 1 . 1 136 136 LYS H H 1 7.839 0.014 . 1 . . . . . 136 LYS H . 51115 1 598 . 1 . 1 136 136 LYS C C 13 179.173 0.014 . 1 . . . . . 136 LYS C . 51115 1 599 . 1 . 1 136 136 LYS CA C 13 59.166 0.287 . 1 . . . . . 136 LYS CA . 51115 1 600 . 1 . 1 136 136 LYS CB C 13 32.365 0.029 . 1 . . . . . 136 LYS CB . 51115 1 601 . 1 . 1 136 136 LYS N N 15 120.717 0.116 . 1 . . . . . 136 LYS N . 51115 1 602 . 1 . 1 137 137 ILE H H 1 7.909 0.011 . 1 . . . . . 137 ILE H . 51115 1 603 . 1 . 1 137 137 ILE C C 13 178.002 0.008 . 1 . . . . . 137 ILE C . 51115 1 604 . 1 . 1 137 137 ILE CA C 13 63.504 0.144 . 1 . . . . . 137 ILE CA . 51115 1 605 . 1 . 1 137 137 ILE CB C 13 38.072 0.012 . 1 . . . . . 137 ILE CB . 51115 1 606 . 1 . 1 137 137 ILE N N 15 119.773 0.133 . 1 . . . . . 137 ILE N . 51115 1 607 . 1 . 1 138 138 ARG H H 1 8.063 0.011 . 1 . . . . . 138 ARG H . 51115 1 608 . 1 . 1 138 138 ARG C C 13 179.027 0.017 . 1 . . . . . 138 ARG C . 51115 1 609 . 1 . 1 138 138 ARG CA C 13 59.006 0.149 . 1 . . . . . 138 ARG CA . 51115 1 610 . 1 . 1 138 138 ARG CB C 13 30.114 0.000 . 1 . . . . . 138 ARG CB . 51115 1 611 . 1 . 1 138 138 ARG N N 15 121.254 0.116 . 1 . . . . . 138 ARG N . 51115 1 612 . 1 . 1 139 139 LYS H H 1 8.318 0.001 . 1 . . . . . 139 LYS H . 51115 1 613 . 1 . 1 139 139 LYS C C 13 179.237 0.008 . 1 . . . . . 139 LYS C . 51115 1 614 . 1 . 1 139 139 LYS CA C 13 58.573 0.160 . 1 . . . . . 139 LYS CA . 51115 1 615 . 1 . 1 139 139 LYS CB C 13 32.215 0.048 . 1 . . . . . 139 LYS CB . 51115 1 616 . 1 . 1 139 139 LYS N N 15 119.219 0.097 . 1 . . . . . 139 LYS N . 51115 1 617 . 1 . 1 140 140 GLU H H 1 8.096 0.010 . 1 . . . . . 140 GLU H . 51115 1 618 . 1 . 1 140 140 GLU C C 13 179.032 0.010 . 1 . . . . . 140 GLU C . 51115 1 619 . 1 . 1 140 140 GLU CA C 13 58.361 0.162 . 1 . . . . . 140 GLU CA . 51115 1 620 . 1 . 1 140 140 GLU CB C 13 29.399 0.000 . 1 . . . . . 140 GLU CB . 51115 1 621 . 1 . 1 140 140 GLU N N 15 120.503 0.117 . 1 . . . . . 140 GLU N . 51115 1 622 . 1 . 1 141 141 LEU H H 1 8.225 0.004 . 1 . . . . . 141 LEU H . 51115 1 623 . 1 . 1 141 141 LEU C C 13 179.496 0.004 . 1 . . . . . 141 LEU C . 51115 1 624 . 1 . 1 141 141 LEU CA C 13 57.253 0.088 . 1 . . . . . 141 LEU CA . 51115 1 625 . 1 . 1 141 141 LEU CB C 13 41.621 0.006 . 1 . . . . . 141 LEU CB . 51115 1 626 . 1 . 1 141 141 LEU N N 15 121.245 0.133 . 1 . . . . . 141 LEU N . 51115 1 627 . 1 . 1 142 142 GLU H H 1 8.125 0.011 . 1 . . . . . 142 GLU H . 51115 1 628 . 1 . 1 142 142 GLU C C 13 178.764 0.006 . 1 . . . . . 142 GLU C . 51115 1 629 . 1 . 1 142 142 GLU CA C 13 58.264 0.166 . 1 . . . . . 142 GLU CA . 51115 1 630 . 1 . 1 142 142 GLU CB C 13 29.764 0.025 . 1 . . . . . 142 GLU CB . 51115 1 631 . 1 . 1 142 142 GLU N N 15 119.807 0.101 . 1 . . . . . 142 GLU N . 51115 1 632 . 1 . 1 143 143 LYS H H 1 7.918 0.015 . 1 . . . . . 143 LYS H . 51115 1 633 . 1 . 1 143 143 LYS C C 13 178.349 0.008 . 1 . . . . . 143 LYS C . 51115 1 634 . 1 . 1 143 143 LYS CB C 13 32.440 0.023 . 1 . . . . . 143 LYS CB . 51115 1 635 . 1 . 1 143 143 LYS N N 15 120.219 0.085 . 1 . . . . . 143 LYS N . 51115 1 636 . 1 . 1 144 144 GLN H H 1 8.108 0.010 . 1 . . . . . 144 GLN H . 51115 1 637 . 1 . 1 144 144 GLN C C 13 177.237 0.010 . 1 . . . . . 144 GLN C . 51115 1 638 . 1 . 1 144 144 GLN CA C 13 57.136 0.140 . 1 . . . . . 144 GLN CA . 51115 1 639 . 1 . 1 144 144 GLN CB C 13 28.750 0.010 . 1 . . . . . 144 GLN CB . 51115 1 640 . 1 . 1 144 144 GLN N N 15 119.309 0.112 . 1 . . . . . 144 GLN N . 51115 1 641 . 1 . 1 145 145 HIS H H 1 8.308 0.007 . 1 . . . . . 145 HIS H . 51115 1 642 . 1 . 1 145 145 HIS C C 13 175.634 0.006 . 1 . . . . . 145 HIS C . 51115 1 643 . 1 . 1 145 145 HIS CA C 13 56.776 0.146 . 1 . . . . . 145 HIS CA . 51115 1 644 . 1 . 1 145 145 HIS CB C 13 29.518 0.018 . 1 . . . . . 145 HIS CB . 51115 1 645 . 1 . 1 145 145 HIS N N 15 118.372 0.112 . 1 . . . . . 145 HIS N . 51115 1 646 . 1 . 1 146 146 ALA H H 1 8.094 0.017 . 1 . . . . . 146 ALA H . 51115 1 647 . 1 . 1 146 146 ALA C C 13 178.823 0.009 . 1 . . . . . 146 ALA C . 51115 1 648 . 1 . 1 146 146 ALA CA C 13 53.468 0.163 . 1 . . . . . 146 ALA CA . 51115 1 649 . 1 . 1 146 146 ALA CB C 13 18.781 0.035 . 1 . . . . . 146 ALA CB . 51115 1 650 . 1 . 1 146 146 ALA N N 15 122.894 0.096 . 1 . . . . . 146 ALA N . 51115 1 651 . 1 . 1 147 147 ARG H H 1 8.119 0.017 . 1 . . . . . 147 ARG H . 51115 1 652 . 1 . 1 147 147 ARG C C 13 177.069 0.005 . 1 . . . . . 147 ARG C . 51115 1 653 . 1 . 1 147 147 ARG CA C 13 56.892 0.164 . 1 . . . . . 147 ARG CA . 51115 1 654 . 1 . 1 147 147 ARG CB C 13 30.450 0.029 . 1 . . . . . 147 ARG CB . 51115 1 655 . 1 . 1 147 147 ARG N N 15 118.919 0.120 . 1 . . . . . 147 ARG N . 51115 1 656 . 1 . 1 148 148 ASP H H 1 8.257 0.012 . 1 . . . . . 148 ASP H . 51115 1 657 . 1 . 1 148 148 ASP C C 13 177.230 0.007 . 1 . . . . . 148 ASP C . 51115 1 658 . 1 . 1 148 148 ASP CA C 13 55.379 0.204 . 1 . . . . . 148 ASP CA . 51115 1 659 . 1 . 1 148 148 ASP CB C 13 41.159 0.009 . 1 . . . . . 148 ASP CB . 51115 1 660 . 1 . 1 148 148 ASP N N 15 120.894 0.103 . 1 . . . . . 148 ASP N . 51115 1 661 . 1 . 1 149 149 VAL H H 1 7.977 0.009 . 1 . . . . . 149 VAL H . 51115 1 662 . 1 . 1 149 149 VAL C C 13 176.882 0.008 . 1 . . . . . 149 VAL C . 51115 1 663 . 1 . 1 149 149 VAL CA C 13 63.169 0.155 . 1 . . . . . 149 VAL CA . 51115 1 664 . 1 . 1 149 149 VAL CB C 13 32.495 0.009 . 1 . . . . . 149 VAL CB . 51115 1 665 . 1 . 1 149 149 VAL N N 15 118.868 0.125 . 1 . . . . . 149 VAL N . 51115 1 666 . 1 . 1 150 150 GLU H H 1 8.168 0.017 . 1 . . . . . 150 GLU H . 51115 1 667 . 1 . 1 150 150 GLU C C 13 176.569 0.347 . 1 . . . . . 150 GLU C . 51115 1 668 . 1 . 1 150 150 GLU CA C 13 57.015 0.208 . 1 . . . . . 150 GLU CA . 51115 1 669 . 1 . 1 150 150 GLU CB C 13 29.988 0.013 . 1 . . . . . 150 GLU CB . 51115 1 670 . 1 . 1 150 150 GLU N N 15 122.289 0.052 . 1 . . . . . 150 GLU N . 51115 1 671 . 1 . 1 151 151 PHE H H 1 8.198 0.006 . 1 . . . . . 151 PHE H . 51115 1 672 . 1 . 1 151 151 PHE C C 13 176.077 0.000 . 1 . . . . . 151 PHE C . 51115 1 673 . 1 . 1 151 151 PHE CA C 13 57.878 0.079 . 1 . . . . . 151 PHE CA . 51115 1 674 . 1 . 1 151 151 PHE CB C 13 39.634 0.001 . 1 . . . . . 151 PHE CB . 51115 1 675 . 1 . 1 151 151 PHE N N 15 120.404 0.124 . 1 . . . . . 151 PHE N . 51115 1 676 . 1 . 1 152 152 ARG H H 1 8.085 0.014 . 1 . . . . . 152 ARG H . 51115 1 677 . 1 . 1 152 152 ARG C C 13 176.540 0.002 . 1 . . . . . 152 ARG C . 51115 1 678 . 1 . 1 152 152 ARG CA C 13 56.232 0.186 . 1 . . . . . 152 ARG CA . 51115 1 679 . 1 . 1 152 152 ARG CB C 13 30.512 0.024 . 1 . . . . . 152 ARG CB . 51115 1 680 . 1 . 1 152 152 ARG N N 15 121.977 0.121 . 1 . . . . . 152 ARG N . 51115 1 681 . 1 . 1 153 153 LYS H H 1 8.258 0.008 . 1 . . . . . 153 LYS H . 51115 1 682 . 1 . 1 153 153 LYS C C 13 177.174 0.493 . 1 . . . . . 153 LYS C . 51115 1 683 . 1 . 1 153 153 LYS CA C 13 57.108 0.168 . 1 . . . . . 153 LYS CA . 51115 1 684 . 1 . 1 153 153 LYS CB C 13 32.809 0.087 . 1 . . . . . 153 LYS CB . 51115 1 685 . 1 . 1 153 153 LYS N N 15 122.215 0.103 . 1 . . . . . 153 LYS N . 51115 1 686 . 1 . 1 154 154 ASP H H 1 8.369 0.004 . 1 . . . . . 154 ASP H . 51115 1 687 . 1 . 1 154 154 ASP C C 13 176.361 0.005 . 1 . . . . . 154 ASP C . 51115 1 688 . 1 . 1 154 154 ASP CA C 13 54.570 0.159 . 1 . . . . . 154 ASP CA . 51115 1 689 . 1 . 1 154 154 ASP CB C 13 41.032 0.006 . 1 . . . . . 154 ASP CB . 51115 1 690 . 1 . 1 154 154 ASP N N 15 119.639 0.129 . 1 . . . . . 154 ASP N . 51115 1 691 . 1 . 1 155 155 LEU H H 1 7.950 0.007 . 1 . . . . . 155 LEU H . 51115 1 692 . 1 . 1 155 155 LEU CA C 13 55.344 0.153 . 1 . . . . . 155 LEU CA . 51115 1 693 . 1 . 1 155 155 LEU CB C 13 42.020 0.000 . 1 . . . . . 155 LEU CB . 51115 1 694 . 1 . 1 155 155 LEU N N 15 121.521 0.119 . 1 . . . . . 155 LEU N . 51115 1 695 . 1 . 1 156 156 ILE H H 1 8.062 0.005 . 1 . . . . . 156 ILE H . 51115 1 696 . 1 . 1 156 156 ILE CA C 13 61.237 0.000 . 1 . . . . . 156 ILE CA . 51115 1 697 . 1 . 1 156 156 ILE CB C 13 38.402 0.004 . 1 . . . . . 156 ILE CB . 51115 1 698 . 1 . 1 156 156 ILE N N 15 121.608 0.126 . 1 . . . . . 156 ILE N . 51115 1 699 . 1 . 1 157 157 GLU H H 1 8.475 0.000 . 1 . . . . . 157 GLU H . 51115 1 700 . 1 . 1 157 157 GLU C C 13 176.702 0.058 . 1 . . . . . 157 GLU C . 51115 1 701 . 1 . 1 157 157 GLU N N 15 124.137 0.000 . 1 . . . . . 157 GLU N . 51115 1 702 . 1 . 1 158 158 SER H H 1 8.463 0.009 . 1 . . . . . 158 SER H . 51115 1 703 . 1 . 1 158 158 SER C C 13 175.181 0.007 . 1 . . . . . 158 SER C . 51115 1 704 . 1 . 1 158 158 SER CA C 13 58.450 0.163 . 1 . . . . . 158 SER CA . 51115 1 705 . 1 . 1 158 158 SER CB C 13 64.595 0.003 . 1 . . . . . 158 SER CB . 51115 1 706 . 1 . 1 158 158 SER N N 15 124.316 0.141 . 1 . . . . . 158 SER N . 51115 1 707 . 1 . 1 159 159 THR H H 1 8.285 0.002 . 1 . . . . . 159 THR H . 51115 1 708 . 1 . 1 159 159 THR C C 13 175.213 0.012 . 1 . . . . . 159 THR C . 51115 1 709 . 1 . 1 159 159 THR CA C 13 62.779 0.149 . 1 . . . . . 159 THR CA . 51115 1 710 . 1 . 1 159 159 THR CB C 13 69.893 0.000 . 1 . . . . . 159 THR CB . 51115 1 711 . 1 . 1 159 159 THR N N 15 116.592 0.109 . 1 . . . . . 159 THR N . 51115 1 712 . 1 . 1 160 160 ILE H H 1 8.032 0.010 . 1 . . . . . 160 ILE H . 51115 1 713 . 1 . 1 160 160 ILE C C 13 176.515 0.007 . 1 . . . . . 160 ILE C . 51115 1 714 . 1 . 1 160 160 ILE CA C 13 61.811 0.130 . 1 . . . . . 160 ILE CA . 51115 1 715 . 1 . 1 160 160 ILE CB C 13 38.565 0.068 . 1 . . . . . 160 ILE CB . 51115 1 716 . 1 . 1 160 160 ILE N N 15 122.397 0.101 . 1 . . . . . 160 ILE N . 51115 1 717 . 1 . 1 161 161 ASP H H 1 8.276 0.014 . 1 . . . . . 161 ASP H . 51115 1 718 . 1 . 1 161 161 ASP C C 13 177.045 0.005 . 1 . . . . . 161 ASP C . 51115 1 719 . 1 . 1 161 161 ASP CA C 13 54.891 0.151 . 1 . . . . . 161 ASP CA . 51115 1 720 . 1 . 1 161 161 ASP CB C 13 41.087 0.122 . 1 . . . . . 161 ASP CB . 51115 1 721 . 1 . 1 161 161 ASP N N 15 123.307 0.107 . 1 . . . . . 161 ASP N . 51115 1 722 . 1 . 1 162 162 ARG H H 1 8.262 0.006 . 1 . . . . . 162 ARG H . 51115 1 723 . 1 . 1 162 162 ARG C C 13 177.180 0.011 . 1 . . . . . 162 ARG C . 51115 1 724 . 1 . 1 162 162 ARG CA C 13 57.083 0.152 . 1 . . . . . 162 ARG CA . 51115 1 725 . 1 . 1 162 162 ARG CB C 13 30.361 0.064 . 1 . . . . . 162 ARG CB . 51115 1 726 . 1 . 1 162 162 ARG N N 15 121.637 0.118 . 1 . . . . . 162 ARG N . 51115 1 727 . 1 . 1 163 163 GLN H H 1 8.343 0.009 . 1 . . . . . 163 GLN H . 51115 1 728 . 1 . 1 163 163 GLN C C 13 176.869 0.008 . 1 . . . . . 163 GLN C . 51115 1 729 . 1 . 1 163 163 GLN CA C 13 56.920 0.001 . 1 . . . . . 163 GLN CA . 51115 1 730 . 1 . 1 163 163 GLN CB C 13 28.981 0.103 . 1 . . . . . 163 GLN CB . 51115 1 731 . 1 . 1 163 163 GLN N N 15 119.911 0.109 . 1 . . . . . 163 GLN N . 51115 1 732 . 1 . 1 164 164 LYS H H 1 8.180 0.013 . 1 . . . . . 164 LYS H . 51115 1 733 . 1 . 1 164 164 LYS C C 13 177.083 0.010 . 1 . . . . . 164 LYS C . 51115 1 734 . 1 . 1 164 164 LYS CA C 13 56.962 0.149 . 1 . . . . . 164 LYS CA . 51115 1 735 . 1 . 1 164 164 LYS CB C 13 32.674 0.000 . 1 . . . . . 164 LYS CB . 51115 1 736 . 1 . 1 164 164 LYS N N 15 121.463 0.141 . 1 . . . . . 164 LYS N . 51115 1 737 . 1 . 1 165 165 ARG H H 1 8.217 0.018 . 1 . . . . . 165 ARG H . 51115 1 738 . 1 . 1 165 165 ARG C C 13 177.043 0.001 . 1 . . . . . 165 ARG C . 51115 1 739 . 1 . 1 165 165 ARG CA C 13 56.468 0.156 . 1 . . . . . 165 ARG CA . 51115 1 740 . 1 . 1 165 165 ARG CB C 13 30.750 0.056 . 1 . . . . . 165 ARG CB . 51115 1 741 . 1 . 1 165 165 ARG N N 15 121.227 0.135 . 1 . . . . . 165 ARG N . 51115 1 742 . 1 . 1 166 166 GLU H H 1 8.389 0.010 . 1 . . . . . 166 GLU H . 51115 1 743 . 1 . 1 166 166 GLU C C 13 177.255 0.006 . 1 . . . . . 166 GLU C . 51115 1 744 . 1 . 1 166 166 GLU CA C 13 57.034 0.154 . 1 . . . . . 166 GLU CA . 51115 1 745 . 1 . 1 166 166 GLU CB C 13 29.726 0.273 . 1 . . . . . 166 GLU CB . 51115 1 746 . 1 . 1 166 166 GLU N N 15 121.559 0.055 . 1 . . . . . 166 GLU N . 51115 1 747 . 1 . 1 167 167 VAL H H 1 8.117 0.007 . 1 . . . . . 167 VAL H . 51115 1 748 . 1 . 1 167 167 VAL C C 13 176.576 0.003 . 1 . . . . . 167 VAL C . 51115 1 749 . 1 . 1 167 167 VAL CA C 13 62.942 0.150 . 1 . . . . . 167 VAL CA . 51115 1 750 . 1 . 1 167 167 VAL CB C 13 32.660 0.014 . 1 . . . . . 167 VAL CB . 51115 1 751 . 1 . 1 167 167 VAL N N 15 120.437 0.092 . 1 . . . . . 167 VAL N . 51115 1 752 . 1 . 1 168 168 ASP H H 1 8.357 0.009 . 1 . . . . . 168 ASP H . 51115 1 753 . 1 . 1 168 168 ASP C C 13 177.127 0.006 . 1 . . . . . 168 ASP C . 51115 1 754 . 1 . 1 168 168 ASP CA C 13 54.577 0.160 . 1 . . . . . 168 ASP CA . 51115 1 755 . 1 . 1 168 168 ASP CB C 13 41.006 0.119 . 1 . . . . . 168 ASP CB . 51115 1 756 . 1 . 1 168 168 ASP N N 15 123.180 0.090 . 1 . . . . . 168 ASP N . 51115 1 757 . 1 . 1 169 169 LEU H H 1 8.241 0.011 . 1 . . . . . 169 LEU H . 51115 1 758 . 1 . 1 169 169 LEU C C 13 178.562 0.006 . 1 . . . . . 169 LEU C . 51115 1 759 . 1 . 1 169 169 LEU CA C 13 56.496 0.153 . 1 . . . . . 169 LEU CA . 51115 1 760 . 1 . 1 169 169 LEU CB C 13 41.978 0.116 . 1 . . . . . 169 LEU CB . 51115 1 761 . 1 . 1 169 169 LEU N N 15 122.837 0.095 . 1 . . . . . 169 LEU N . 51115 1 762 . 1 . 1 170 170 GLU H H 1 8.307 0.009 . 1 . . . . . 170 GLU H . 51115 1 763 . 1 . 1 170 170 GLU C C 13 177.943 0.006 . 1 . . . . . 170 GLU C . 51115 1 764 . 1 . 1 170 170 GLU CA C 13 57.814 0.160 . 1 . . . . . 170 GLU CA . 51115 1 765 . 1 . 1 170 170 GLU CB C 13 29.548 0.026 . 1 . . . . . 170 GLU CB . 51115 1 766 . 1 . 1 170 170 GLU N N 15 119.869 0.142 . 1 . . . . . 170 GLU N . 51115 1 767 . 1 . 1 171 171 ALA H H 1 8.060 0.008 . 1 . . . . . 171 ALA H . 51115 1 768 . 1 . 1 171 171 ALA C C 13 179.240 0.007 . 1 . . . . . 171 ALA C . 51115 1 769 . 1 . 1 171 171 ALA CA C 13 53.465 0.165 . 1 . . . . . 171 ALA CA . 51115 1 770 . 1 . 1 171 171 ALA CB C 13 18.670 0.050 . 1 . . . . . 171 ALA CB . 51115 1 771 . 1 . 1 171 171 ALA N N 15 123.328 0.092 . 1 . . . . . 171 ALA N . 51115 1 772 . 1 . 1 172 172 LYS H H 1 8.114 0.009 . 1 . . . . . 172 LYS H . 51115 1 773 . 1 . 1 172 172 LYS C C 13 178.071 0.021 . 1 . . . . . 172 LYS C . 51115 1 774 . 1 . 1 172 172 LYS CA C 13 57.426 0.150 . 1 . . . . . 172 LYS CA . 51115 1 775 . 1 . 1 172 172 LYS CB C 13 32.710 0.071 . 1 . . . . . 172 LYS CB . 51115 1 776 . 1 . 1 172 172 LYS N N 15 119.363 0.117 . 1 . . . . . 172 LYS N . 51115 1 777 . 1 . 1 173 173 MET H H 1 8.233 0.008 . 1 . . . . . 173 MET H . 51115 1 778 . 1 . 1 173 173 MET C C 13 176.995 0.002 . 1 . . . . . 173 MET C . 51115 1 779 . 1 . 1 173 173 MET CA C 13 56.135 0.154 . 1 . . . . . 173 MET CA . 51115 1 780 . 1 . 1 173 173 MET CB C 13 32.565 0.007 . 1 . . . . . 173 MET CB . 51115 1 781 . 1 . 1 173 173 MET N N 15 119.641 0.072 . 1 . . . . . 173 MET N . 51115 1 782 . 1 . 1 174 174 ALA H H 1 8.160 0.008 . 1 . . . . . 174 ALA H . 51115 1 783 . 1 . 1 174 174 ALA C C 13 178.549 0.007 . 1 . . . . . 174 ALA C . 51115 1 784 . 1 . 1 174 174 ALA CA C 13 53.070 0.152 . 1 . . . . . 174 ALA CA . 51115 1 785 . 1 . 1 174 174 ALA CB C 13 18.870 0.033 . 1 . . . . . 174 ALA CB . 51115 1 786 . 1 . 1 174 174 ALA N N 15 123.984 0.091 . 1 . . . . . 174 ALA N . 51115 1 787 . 1 . 1 175 175 LYS H H 1 8.095 0.009 . 1 . . . . . 175 LYS H . 51115 1 788 . 1 . 1 175 175 LYS C C 13 177.070 0.020 . 1 . . . . . 175 LYS C . 51115 1 789 . 1 . 1 175 175 LYS CA C 13 56.887 0.142 . 1 . . . . . 175 LYS CA . 51115 1 790 . 1 . 1 175 175 LYS CB C 13 32.701 0.062 . 1 . . . . . 175 LYS CB . 51115 1 791 . 1 . 1 175 175 LYS N N 15 119.960 0.086 . 1 . . . . . 175 LYS N . 51115 1 792 . 1 . 1 176 176 ARG H H 1 8.201 0.007 . 1 . . . . . 176 ARG H . 51115 1 793 . 1 . 1 176 176 ARG C C 13 177.113 0.050 . 1 . . . . . 176 ARG C . 51115 1 794 . 1 . 1 176 176 ARG CB C 13 30.602 0.045 . 1 . . . . . 176 ARG CB . 51115 1 795 . 1 . 1 176 176 ARG N N 15 121.198 0.087 . 1 . . . . . 176 ARG N . 51115 1 796 . 1 . 1 177 177 GLU H H 1 8.331 0.008 . 1 . . . . . 177 GLU H . 51115 1 797 . 1 . 1 177 177 GLU C C 13 177.094 0.004 . 1 . . . . . 177 GLU C . 51115 1 798 . 1 . 1 177 177 GLU CA C 13 56.833 0.176 . 1 . . . . . 177 GLU CA . 51115 1 799 . 1 . 1 177 177 GLU CB C 13 30.111 0.102 . 1 . . . . . 177 GLU CB . 51115 1 800 . 1 . 1 177 177 GLU N N 15 121.224 0.102 . 1 . . . . . 177 GLU N . 51115 1 801 . 1 . 1 178 178 LEU H H 1 8.183 0.005 . 1 . . . . . 178 LEU H . 51115 1 802 . 1 . 1 178 178 LEU C C 13 178.106 0.011 . 1 . . . . . 178 LEU C . 51115 1 803 . 1 . 1 178 178 LEU CA C 13 55.703 0.163 . 1 . . . . . 178 LEU CA . 51115 1 804 . 1 . 1 178 178 LEU CB C 13 42.373 0.097 . 1 . . . . . 178 LEU CB . 51115 1 805 . 1 . 1 178 178 LEU N N 15 122.456 0.141 . 1 . . . . . 178 LEU N . 51115 1 806 . 1 . 1 179 179 ASP H H 1 8.389 0.006 . 1 . . . . . 179 ASP H . 51115 1 807 . 1 . 1 179 179 ASP C C 13 177.027 0.014 . 1 . . . . . 179 ASP C . 51115 1 808 . 1 . 1 179 179 ASP CA C 13 54.438 0.167 . 1 . . . . . 179 ASP CA . 51115 1 809 . 1 . 1 179 179 ASP CB C 13 41.027 0.010 . 1 . . . . . 179 ASP CB . 51115 1 810 . 1 . 1 179 179 ASP N N 15 121.102 0.112 . 1 . . . . . 179 ASP N . 51115 1 811 . 1 . 1 180 180 ARG H H 1 8.278 0.007 . 1 . . . . . 180 ARG H . 51115 1 812 . 1 . 1 180 180 ARG C C 13 177.688 0.002 . 1 . . . . . 180 ARG C . 51115 1 813 . 1 . 1 180 180 ARG CA C 13 57.652 0.160 . 1 . . . . . 180 ARG CA . 51115 1 814 . 1 . 1 180 180 ARG CB C 13 30.173 0.029 . 1 . . . . . 180 ARG CB . 51115 1 815 . 1 . 1 180 180 ARG N N 15 121.577 0.123 . 1 . . . . . 180 ARG N . 51115 1 816 . 1 . 1 181 181 GLU H H 1 8.437 0.003 . 1 . . . . . 181 GLU H . 51115 1 817 . 1 . 1 181 181 GLU C C 13 178.753 0.006 . 1 . . . . . 181 GLU C . 51115 1 818 . 1 . 1 181 181 GLU CA C 13 58.121 0.151 . 1 . . . . . 181 GLU CA . 51115 1 819 . 1 . 1 181 181 GLU CB C 13 29.582 0.033 . 1 . . . . . 181 GLU CB . 51115 1 820 . 1 . 1 181 181 GLU N N 15 119.659 0.144 . 1 . . . . . 181 GLU N . 51115 1 821 . 1 . 1 182 182 GLY H H 1 8.437 0.008 . 1 . . . . . 182 GLY H . 51115 1 822 . 1 . 1 182 182 GLY C C 13 175.749 0.007 . 1 . . . . . 182 GLY C . 51115 1 823 . 1 . 1 182 182 GLY CA C 13 46.057 0.155 . 1 . . . . . 182 GLY CA . 51115 1 824 . 1 . 1 182 182 GLY N N 15 109.225 0.098 . 1 . . . . . 182 GLY N . 51115 1 825 . 1 . 1 183 183 GLN H H 1 8.276 0.004 . 1 . . . . . 183 GLN H . 51115 1 826 . 1 . 1 183 183 GLN C C 13 177.682 0.004 . 1 . . . . . 183 GLN C . 51115 1 827 . 1 . 1 183 183 GLN CA C 13 57.286 0.152 . 1 . . . . . 183 GLN CA . 51115 1 828 . 1 . 1 183 183 GLN CB C 13 28.704 0.071 . 1 . . . . . 183 GLN CB . 51115 1 829 . 1 . 1 183 183 GLN N N 15 121.735 0.125 . 1 . . . . . 183 GLN N . 51115 1 830 . 1 . 1 184 184 LEU H H 1 8.301 0.007 . 1 . . . . . 184 LEU H . 51115 1 831 . 1 . 1 184 184 LEU C C 13 179.159 0.011 . 1 . . . . . 184 LEU C . 51115 1 832 . 1 . 1 184 184 LEU CA C 13 56.481 0.265 . 1 . . . . . 184 LEU CA . 51115 1 833 . 1 . 1 184 184 LEU CB C 13 41.754 0.080 . 1 . . . . . 184 LEU CB . 51115 1 834 . 1 . 1 184 184 LEU N N 15 121.209 0.102 . 1 . . . . . 184 LEU N . 51115 1 835 . 1 . 1 185 185 ALA H H 1 8.148 0.010 . 1 . . . . . 185 ALA H . 51115 1 836 . 1 . 1 185 185 ALA C C 13 179.565 0.006 . 1 . . . . . 185 ALA C . 51115 1 837 . 1 . 1 185 185 ALA CA C 13 53.671 0.143 . 1 . . . . . 185 ALA CA . 51115 1 838 . 1 . 1 185 185 ALA CB C 13 18.449 0.066 . 1 . . . . . 185 ALA CB . 51115 1 839 . 1 . 1 185 185 ALA N N 15 123.322 0.093 . 1 . . . . . 185 ALA N . 51115 1 840 . 1 . 1 186 186 LYS H H 1 8.068 0.011 . 1 . . . . . 186 LYS H . 51115 1 841 . 1 . 1 186 186 LYS C C 13 178.484 0.011 . 1 . . . . . 186 LYS C . 51115 1 842 . 1 . 1 186 186 LYS CA C 13 58.287 0.160 . 1 . . . . . 186 LYS CA . 51115 1 843 . 1 . 1 186 186 LYS CB C 13 32.604 0.001 . 1 . . . . . 186 LYS CB . 51115 1 844 . 1 . 1 186 186 LYS N N 15 120.348 0.123 . 1 . . . . . 186 LYS N . 51115 1 845 . 1 . 1 187 187 GLU H H 1 8.331 0.007 . 1 . . . . . 187 GLU H . 51115 1 846 . 1 . 1 187 187 GLU C C 13 178.236 0.010 . 1 . . . . . 187 GLU C . 51115 1 847 . 1 . 1 187 187 GLU CA C 13 58.083 0.147 . 1 . . . . . 187 GLU CA . 51115 1 848 . 1 . 1 187 187 GLU CB C 13 29.560 0.022 . 1 . . . . . 187 GLU CB . 51115 1 849 . 1 . 1 187 187 GLU N N 15 119.998 0.086 . 1 . . . . . 187 GLU N . 51115 1 850 . 1 . 1 188 188 ALA H H 1 8.074 0.009 . 1 . . . . . 188 ALA H . 51115 1 851 . 1 . 1 188 188 ALA C C 13 179.754 0.004 . 1 . . . . . 188 ALA C . 51115 1 852 . 1 . 1 188 188 ALA CA C 13 53.873 0.151 . 1 . . . . . 188 ALA CA . 51115 1 853 . 1 . 1 188 188 ALA CB C 13 18.436 0.052 . 1 . . . . . 188 ALA CB . 51115 1 854 . 1 . 1 188 188 ALA N N 15 122.565 0.092 . 1 . . . . . 188 ALA N . 51115 1 855 . 1 . 1 189 189 LEU H H 1 7.977 0.011 . 1 . . . . . 189 LEU H . 51115 1 856 . 1 . 1 189 189 LEU C C 13 179.191 0.005 . 1 . . . . . 189 LEU C . 51115 1 857 . 1 . 1 189 189 LEU CA C 13 56.539 0.142 . 1 . . . . . 189 LEU CA . 51115 1 858 . 1 . 1 189 189 LEU CB C 13 41.969 0.109 . 1 . . . . . 189 LEU CB . 51115 1 859 . 1 . 1 189 189 LEU N N 15 120.596 0.094 . 1 . . . . . 189 LEU N . 51115 1 860 . 1 . 1 190 190 GLU H H 1 8.191 0.011 . 1 . . . . . 190 GLU H . 51115 1 861 . 1 . 1 190 190 GLU C C 13 178.230 0.011 . 1 . . . . . 190 GLU C . 51115 1 862 . 1 . 1 190 190 GLU CA C 13 57.917 0.148 . 1 . . . . . 190 GLU CA . 51115 1 863 . 1 . 1 190 190 GLU CB C 13 29.562 0.041 . 1 . . . . . 190 GLU CB . 51115 1 864 . 1 . 1 190 190 GLU N N 15 120.145 0.158 . 1 . . . . . 190 GLU N . 51115 1 865 . 1 . 1 191 191 ARG H H 1 8.145 0.010 . 1 . . . . . 191 ARG H . 51115 1 866 . 1 . 1 191 191 ARG C C 13 178.034 0.009 . 1 . . . . . 191 ARG C . 51115 1 867 . 1 . 1 191 191 ARG CA C 13 57.682 0.137 . 1 . . . . . 191 ARG CA . 51115 1 868 . 1 . 1 191 191 ARG CB C 13 30.375 0.051 . 1 . . . . . 191 ARG CB . 51115 1 869 . 1 . 1 191 191 ARG N N 15 119.601 0.082 . 1 . . . . . 191 ARG N . 51115 1 870 . 1 . 1 192 192 SER H H 1 8.121 0.017 . 1 . . . . . 192 SER H . 51115 1 871 . 1 . 1 192 192 SER C C 13 175.367 0.000 . 1 . . . . . 192 SER C . 51115 1 872 . 1 . 1 192 192 SER CA C 13 59.601 0.160 . 1 . . . . . 192 SER CA . 51115 1 873 . 1 . 1 192 192 SER CB C 13 63.809 0.401 . 1 . . . . . 192 SER CB . 51115 1 874 . 1 . 1 192 192 SER N N 15 115.449 0.094 . 1 . . . . . 192 SER N . 51115 1 875 . 1 . 1 193 193 ARG H H 1 8.047 0.022 . 1 . . . . . 193 ARG H . 51115 1 876 . 1 . 1 193 193 ARG C C 13 176.953 0.005 . 1 . . . . . 193 ARG C . 51115 1 877 . 1 . 1 193 193 ARG CA C 13 56.883 0.155 . 1 . . . . . 193 ARG CA . 51115 1 878 . 1 . 1 193 193 ARG CB C 13 30.490 0.042 . 1 . . . . . 193 ARG CB . 51115 1 879 . 1 . 1 193 193 ARG N N 15 122.251 0.095 . 1 . . . . . 193 ARG N . 51115 1 880 . 1 . 1 194 194 LEU H H 1 7.964 0.015 . 1 . . . . . 194 LEU H . 51115 1 881 . 1 . 1 194 194 LEU C C 13 177.486 0.007 . 1 . . . . . 194 LEU C . 51115 1 882 . 1 . 1 194 194 LEU CA C 13 55.269 0.144 . 1 . . . . . 194 LEU CA . 51115 1 883 . 1 . 1 194 194 LEU CB C 13 42.256 0.095 . 1 . . . . . 194 LEU CB . 51115 1 884 . 1 . 1 194 194 LEU N N 15 121.175 0.085 . 1 . . . . . 194 LEU N . 51115 1 885 . 1 . 1 195 195 ALA H H 1 8.099 0.011 . 1 . . . . . 195 ALA H . 51115 1 886 . 1 . 1 195 195 ALA C C 13 176.762 1.703 . 1 . . . . . 195 ALA C . 51115 1 887 . 1 . 1 195 195 ALA CA C 13 52.565 0.159 . 1 . . . . . 195 ALA CA . 51115 1 888 . 1 . 1 195 195 ALA CB C 13 19.206 0.000 . 1 . . . . . 195 ALA CB . 51115 1 889 . 1 . 1 195 195 ALA N N 15 123.698 0.111 . 1 . . . . . 195 ALA N . 51115 1 890 . 1 . 1 196 196 THR H H 1 8.389 0.007 . 1 . . . . . 196 THR H . 51115 1 891 . 1 . 1 196 196 THR C C 13 174.368 0.000 . 1 . . . . . 196 THR C . 51115 1 892 . 1 . 1 196 196 THR CA C 13 61.754 0.159 . 1 . . . . . 196 THR CA . 51115 1 893 . 1 . 1 196 196 THR CB C 13 69.807 0.006 . 1 . . . . . 196 THR CB . 51115 1 894 . 1 . 1 196 196 THR N N 15 112.251 0.063 . 1 . . . . . 196 THR N . 51115 1 895 . 1 . 1 197 197 ASN H H 1 8.382 0.008 . 1 . . . . . 197 ASN H . 51115 1 896 . 1 . 1 197 197 ASN C C 13 175.031 0.006 . 1 . . . . . 197 ASN C . 51115 1 897 . 1 . 1 197 197 ASN CA C 13 53.257 0.151 . 1 . . . . . 197 ASN CA . 51115 1 898 . 1 . 1 197 197 ASN CB C 13 39.011 0.133 . 1 . . . . . 197 ASN CB . 51115 1 899 . 1 . 1 197 197 ASN N N 15 121.021 0.113 . 1 . . . . . 197 ASN N . 51115 1 900 . 1 . 1 198 198 VAL H H 1 8.058 0.006 . 1 . . . . . 198 VAL H . 51115 1 901 . 1 . 1 198 198 VAL C C 13 176.021 0.005 . 1 . . . . . 198 VAL C . 51115 1 902 . 1 . 1 198 198 VAL CA C 13 62.082 0.157 . 1 . . . . . 198 VAL CA . 51115 1 903 . 1 . 1 198 198 VAL CB C 13 32.757 0.004 . 1 . . . . . 198 VAL CB . 51115 1 904 . 1 . 1 198 198 VAL N N 15 119.962 0.096 . 1 . . . . . 198 VAL N . 51115 1 905 . 1 . 1 199 199 GLU H H 1 8.455 0.006 . 1 . . . . . 199 GLU H . 51115 1 906 . 1 . 1 199 199 GLU C C 13 176.364 0.005 . 1 . . . . . 199 GLU C . 51115 1 907 . 1 . 1 199 199 GLU CA C 13 56.244 0.146 . 1 . . . . . 199 GLU CA . 51115 1 908 . 1 . 1 199 199 GLU CB C 13 30.278 0.002 . 1 . . . . . 199 GLU CB . 51115 1 909 . 1 . 1 199 199 GLU N N 15 124.489 0.136 . 1 . . . . . 199 GLU N . 51115 1 910 . 1 . 1 200 200 VAL H H 1 8.159 0.006 . 1 . . . . . 200 VAL H . 51115 1 911 . 1 . 1 200 200 VAL C C 13 175.500 0.006 . 1 . . . . . 200 VAL C . 51115 1 912 . 1 . 1 200 200 VAL CA C 13 61.940 0.153 . 1 . . . . . 200 VAL CA . 51115 1 913 . 1 . 1 200 200 VAL CB C 13 32.840 0.027 . 1 . . . . . 200 VAL CB . 51115 1 914 . 1 . 1 200 200 VAL N N 15 121.220 0.000 . 1 . . . . . 200 VAL N . 51115 1 915 . 1 . 1 201 201 ASN H H 1 8.426 0.007 . 1 . . . . . 201 ASN H . 51115 1 916 . 1 . 1 201 201 ASN C C 13 174.821 0.005 . 1 . . . . . 201 ASN C . 51115 1 917 . 1 . 1 201 201 ASN CA C 13 52.619 0.002 . 1 . . . . . 201 ASN CA . 51115 1 918 . 1 . 1 201 201 ASN CB C 13 39.352 0.141 . 1 . . . . . 201 ASN CB . 51115 1 919 . 1 . 1 201 201 ASN N N 15 122.046 0.135 . 1 . . . . . 201 ASN N . 51115 1 920 . 1 . 1 202 202 PHE H H 1 8.294 0.006 . 1 . . . . . 202 PHE H . 51115 1 921 . 1 . 1 202 202 PHE C C 13 175.416 0.009 . 1 . . . . . 202 PHE C . 51115 1 922 . 1 . 1 202 202 PHE CA C 13 57.856 0.169 . 1 . . . . . 202 PHE CA . 51115 1 923 . 1 . 1 202 202 PHE CB C 13 39.655 0.039 . 1 . . . . . 202 PHE CB . 51115 1 924 . 1 . 1 202 202 PHE N N 15 121.604 0.117 . 1 . . . . . 202 PHE N . 51115 1 925 . 1 . 1 203 203 ASP H H 1 8.333 0.009 . 1 . . . . . 203 ASP H . 51115 1 926 . 1 . 1 203 203 ASP C C 13 176.415 0.010 . 1 . . . . . 203 ASP C . 51115 1 927 . 1 . 1 203 203 ASP CA C 13 54.016 0.157 . 1 . . . . . 203 ASP CA . 51115 1 928 . 1 . 1 203 203 ASP CB C 13 41.478 0.000 . 1 . . . . . 203 ASP CB . 51115 1 929 . 1 . 1 203 203 ASP N N 15 122.248 0.100 . 1 . . . . . 203 ASP N . 51115 1 930 . 1 . 1 204 204 SER H H 1 8.260 0.005 . 1 . . . . . 204 SER H . 51115 1 931 . 1 . 1 204 204 SER C C 13 175.811 1.433 . 1 . . . . . 204 SER C . 51115 1 932 . 1 . 1 204 204 SER CA C 13 58.702 0.163 . 1 . . . . . 204 SER CA . 51115 1 933 . 1 . 1 204 204 SER CB C 13 64.071 0.383 . 1 . . . . . 204 SER CB . 51115 1 934 . 1 . 1 204 204 SER N N 15 117.217 0.122 . 1 . . . . . 204 SER N . 51115 1 935 . 1 . 1 205 205 ALA H H 1 8.332 0.009 . 1 . . . . . 205 ALA H . 51115 1 936 . 1 . 1 205 205 ALA C C 13 177.849 0.000 . 1 . . . . . 205 ALA C . 51115 1 937 . 1 . 1 205 205 ALA CA C 13 52.617 0.156 . 1 . . . . . 205 ALA CA . 51115 1 938 . 1 . 1 205 205 ALA CB C 13 19.029 0.039 . 1 . . . . . 205 ALA CB . 51115 1 939 . 1 . 1 205 205 ALA N N 15 125.581 0.094 . 1 . . . . . 205 ALA N . 51115 1 940 . 1 . 1 206 206 ALA H H 1 8.226 0.172 . 1 . . . . . 206 ALA H . 51115 1 941 . 1 . 1 206 206 ALA C C 13 178.376 0.000 . 1 . . . . . 206 ALA C . 51115 1 942 . 1 . 1 206 206 ALA CA C 13 52.588 0.155 . 1 . . . . . 206 ALA CA . 51115 1 943 . 1 . 1 206 206 ALA N N 15 122.303 0.092 . 1 . . . . . 206 ALA N . 51115 1 944 . 1 . 1 207 207 GLY H H 1 8.254 0.002 . 1 . . . . . 207 GLY H . 51115 1 945 . 1 . 1 207 207 GLY C C 13 174.077 0.005 . 1 . . . . . 207 GLY C . 51115 1 946 . 1 . 1 207 207 GLY CA C 13 45.128 0.163 . 1 . . . . . 207 GLY CA . 51115 1 947 . 1 . 1 207 207 GLY N N 15 107.383 0.092 . 1 . . . . . 207 GLY N . 51115 1 948 . 1 . 1 208 208 HIS H H 1 8.195 0.006 . 1 . . . . . 208 HIS H . 51115 1 949 . 1 . 1 208 208 HIS C C 13 174.989 0.009 . 1 . . . . . 208 HIS C . 51115 1 950 . 1 . 1 208 208 HIS CA C 13 55.321 0.000 . 1 . . . . . 208 HIS CA . 51115 1 951 . 1 . 1 208 208 HIS CB C 13 30.274 0.005 . 1 . . . . . 208 HIS CB . 51115 1 952 . 1 . 1 208 208 HIS N N 15 118.560 0.125 . 1 . . . . . 208 HIS N . 51115 1 953 . 1 . 1 209 209 THR H H 1 8.278 0.007 . 1 . . . . . 209 THR H . 51115 1 954 . 1 . 1 209 209 THR C C 13 174.483 0.006 . 1 . . . . . 209 THR C . 51115 1 955 . 1 . 1 209 209 THR CA C 13 61.721 0.161 . 1 . . . . . 209 THR CA . 51115 1 956 . 1 . 1 209 209 THR CB C 13 70.169 0.132 . 1 . . . . . 209 THR CB . 51115 1 957 . 1 . 1 209 209 THR N N 15 116.308 0.142 . 1 . . . . . 209 THR N . 51115 1 958 . 1 . 1 210 210 VAL H H 1 8.341 0.006 . 1 . . . . . 210 VAL H . 51115 1 959 . 1 . 1 210 210 VAL C C 13 176.252 0.001 . 1 . . . . . 210 VAL C . 51115 1 960 . 1 . 1 210 210 VAL CA C 13 61.929 0.177 . 1 . . . . . 210 VAL CA . 51115 1 961 . 1 . 1 210 210 VAL CB C 13 32.883 0.015 . 1 . . . . . 210 VAL CB . 51115 1 962 . 1 . 1 210 210 VAL N N 15 122.657 0.105 . 1 . . . . . 210 VAL N . 51115 1 963 . 1 . 1 211 211 SER H H 1 8.500 0.006 . 1 . . . . . 211 SER H . 51115 1 964 . 1 . 1 211 211 SER C C 13 175.121 0.004 . 1 . . . . . 211 SER C . 51115 1 965 . 1 . 1 211 211 SER CA C 13 58.214 0.143 . 1 . . . . . 211 SER CA . 51115 1 966 . 1 . 1 211 211 SER CB C 13 64.594 0.000 . 1 . . . . . 211 SER CB . 51115 1 967 . 1 . 1 211 211 SER N N 15 119.697 0.143 . 1 . . . . . 211 SER N . 51115 1 968 . 1 . 1 212 212 GLY H H 1 8.522 0.001 . 1 . . . . . 212 GLY H . 51115 1 969 . 1 . 1 212 212 GLY C C 13 174.688 0.007 . 1 . . . . . 212 GLY C . 51115 1 970 . 1 . 1 212 212 GLY CA C 13 45.214 0.156 . 1 . . . . . 212 GLY CA . 51115 1 971 . 1 . 1 212 212 GLY N N 15 108.725 0.116 . 1 . . . . . 212 GLY N . 51115 1 972 . 1 . 1 213 213 GLY H H 1 8.337 0.004 . 1 . . . . . 213 GLY H . 51115 1 973 . 1 . 1 213 213 GLY C C 13 174.355 0.014 . 1 . . . . . 213 GLY C . 51115 1 974 . 1 . 1 213 213 GLY CA C 13 45.030 0.155 . 1 . . . . . 213 GLY CA . 51115 1 975 . 1 . 1 213 213 GLY N N 15 108.847 0.000 . 1 . . . . . 213 GLY N . 51115 1 976 . 1 . 1 214 214 THR H H 1 8.192 0.007 . 1 . . . . . 214 THR H . 51115 1 977 . 1 . 1 214 214 THR C C 13 174.766 0.006 . 1 . . . . . 214 THR C . 51115 1 978 . 1 . 1 214 214 THR CA C 13 61.589 0.166 . 1 . . . . . 214 THR CA . 51115 1 979 . 1 . 1 214 214 THR CB C 13 70.102 0.168 . 1 . . . . . 214 THR CB . 51115 1 980 . 1 . 1 214 214 THR N N 15 113.960 0.087 . 1 . . . . . 214 THR N . 51115 1 981 . 1 . 1 215 215 THR H H 1 8.320 0.007 . 1 . . . . . 215 THR H . 51115 1 982 . 1 . 1 215 215 THR C C 13 174.431 0.005 . 1 . . . . . 215 THR C . 51115 1 983 . 1 . 1 215 215 THR CA C 13 61.706 0.175 . 1 . . . . . 215 THR CA . 51115 1 984 . 1 . 1 215 215 THR CB C 13 70.089 0.174 . 1 . . . . . 215 THR CB . 51115 1 985 . 1 . 1 215 215 THR N N 15 117.497 0.107 . 1 . . . . . 215 THR N . 51115 1 986 . 1 . 1 216 216 VAL H H 1 8.277 0.006 . 1 . . . . . 216 VAL H . 51115 1 987 . 1 . 1 216 216 VAL C C 13 176.093 0.006 . 1 . . . . . 216 VAL C . 51115 1 988 . 1 . 1 216 216 VAL CA C 13 61.898 0.178 . 1 . . . . . 216 VAL CA . 51115 1 989 . 1 . 1 216 216 VAL CB C 13 32.934 0.011 . 1 . . . . . 216 VAL CB . 51115 1 990 . 1 . 1 216 216 VAL N N 15 123.001 0.129 . 1 . . . . . 216 VAL N . 51115 1 991 . 1 . 1 217 217 SER H H 1 8.565 0.006 . 1 . . . . . 217 SER H . 51115 1 992 . 1 . 1 217 217 SER C C 13 174.964 0.003 . 1 . . . . . 217 SER C . 51115 1 993 . 1 . 1 217 217 SER CA C 13 57.930 0.152 . 1 . . . . . 217 SER CA . 51115 1 994 . 1 . 1 217 217 SER CB C 13 64.355 0.379 . 1 . . . . . 217 SER CB . 51115 1 995 . 1 . 1 217 217 SER N N 15 120.144 0.135 . 1 . . . . . 217 SER N . 51115 1 996 . 1 . 1 218 218 THR H H 1 8.349 0.006 . 1 . . . . . 218 THR H . 51115 1 997 . 1 . 1 218 218 THR C C 13 174.852 0.001 . 1 . . . . . 218 THR C . 51115 1 998 . 1 . 1 218 218 THR CA C 13 61.641 0.019 . 1 . . . . . 218 THR CA . 51115 1 999 . 1 . 1 218 218 THR CB C 13 69.838 0.173 . 1 . . . . . 218 THR CB . 51115 1 1000 . 1 . 1 218 218 THR N N 15 116.212 0.087 . 1 . . . . . 218 THR N . 51115 1 1001 . 1 . 1 219 219 SER H H 1 8.359 0.008 . 1 . . . . . 219 SER H . 51115 1 1002 . 1 . 1 219 219 SER C C 13 174.474 0.013 . 1 . . . . . 219 SER C . 51115 1 1003 . 1 . 1 219 219 SER CA C 13 58.493 0.165 . 1 . . . . . 219 SER CA . 51115 1 1004 . 1 . 1 219 219 SER CB C 13 64.323 0.342 . 1 . . . . . 219 SER CB . 51115 1 1005 . 1 . 1 219 219 SER N N 15 117.536 0.133 . 1 . . . . . 219 SER N . 51115 1 1006 . 1 . 1 220 220 ASP H H 1 8.373 0.009 . 1 . . . . . 220 ASP H . 51115 1 1007 . 1 . 1 220 220 ASP C C 13 176.407 0.023 . 1 . . . . . 220 ASP C . 51115 1 1008 . 1 . 1 220 220 ASP CA C 13 54.493 0.159 . 1 . . . . . 220 ASP CA . 51115 1 1009 . 1 . 1 220 220 ASP CB C 13 41.179 0.115 . 1 . . . . . 220 ASP CB . 51115 1 1010 . 1 . 1 220 220 ASP N N 15 122.586 0.100 . 1 . . . . . 220 ASP N . 51115 1 1011 . 1 . 1 221 221 LYS H H 1 8.234 0.033 . 1 . . . . . 221 LYS H . 51115 1 1012 . 1 . 1 221 221 LYS C C 13 176.783 0.007 . 1 . . . . . 221 LYS C . 51115 1 1013 . 1 . 1 221 221 LYS CA C 13 56.441 0.131 . 1 . . . . . 221 LYS CA . 51115 1 1014 . 1 . 1 221 221 LYS CB C 13 32.714 0.040 . 1 . . . . . 221 LYS CB . 51115 1 1015 . 1 . 1 221 221 LYS N N 15 121.009 0.095 . 1 . . . . . 221 LYS N . 51115 1 1016 . 1 . 1 222 222 MET H H 1 8.315 0.006 . 1 . . . . . 222 MET H . 51115 1 1017 . 1 . 1 222 222 MET C C 13 176.311 0.003 . 1 . . . . . 222 MET C . 51115 1 1018 . 1 . 1 222 222 MET CA C 13 55.485 0.160 . 1 . . . . . 222 MET CA . 51115 1 1019 . 1 . 1 222 222 MET CB C 13 32.683 0.009 . 1 . . . . . 222 MET CB . 51115 1 1020 . 1 . 1 222 222 MET N N 15 120.734 0.121 . 1 . . . . . 222 MET N . 51115 1 1021 . 1 . 1 223 223 GLU H H 1 8.364 0.007 . 1 . . . . . 223 GLU H . 51115 1 1022 . 1 . 1 223 223 GLU C C 13 176.386 0.001 . 1 . . . . . 223 GLU C . 51115 1 1023 . 1 . 1 223 223 GLU CA C 13 56.420 0.155 . 1 . . . . . 223 GLU CA . 51115 1 1024 . 1 . 1 223 223 GLU CB C 13 30.280 0.002 . 1 . . . . . 223 GLU CB . 51115 1 1025 . 1 . 1 223 223 GLU N N 15 122.481 0.148 . 1 . . . . . 223 GLU N . 51115 1 1026 . 1 . 1 224 224 ILE H H 1 8.187 0.006 . 1 . . . . . 224 ILE H . 51115 1 1027 . 1 . 1 224 224 ILE C C 13 176.378 0.000 . 1 . . . . . 224 ILE C . 51115 1 1028 . 1 . 1 224 224 ILE CA C 13 61.130 0.156 . 1 . . . . . 224 ILE CA . 51115 1 1029 . 1 . 1 224 224 ILE CB C 13 38.504 0.039 . 1 . . . . . 224 ILE CB . 51115 1 1030 . 1 . 1 224 224 ILE N N 15 122.607 0.127 . 1 . . . . . 224 ILE N . 51115 1 1031 . 1 . 1 225 225 LYS H H 1 8.380 0.000 . 1 . . . . . 225 LYS H . 51115 1 1032 . 1 . 1 225 225 LYS C C 13 176.585 0.006 . 1 . . . . . 225 LYS C . 51115 1 1033 . 1 . 1 225 225 LYS CA C 13 56.121 0.161 . 1 . . . . . 225 LYS CA . 51115 1 1034 . 1 . 1 225 225 LYS CB C 13 32.773 0.048 . 1 . . . . . 225 LYS CB . 51115 1 1035 . 1 . 1 225 225 LYS N N 15 125.250 0.000 . 1 . . . . . 225 LYS N . 51115 1 1036 . 1 . 1 226 226 ARG H H 1 8.403 0.007 . 1 . . . . . 226 ARG H . 51115 1 1037 . 1 . 1 226 226 ARG C C 13 176.192 0.036 . 1 . . . . . 226 ARG C . 51115 1 1038 . 1 . 1 226 226 ARG CB C 13 30.811 0.004 . 1 . . . . . 226 ARG CB . 51115 1 1039 . 1 . 1 226 226 ARG N N 15 122.518 0.148 . 1 . . . . . 226 ARG N . 51115 1 1040 . 1 . 1 227 227 ASN H H 1 8.501 0.003 . 1 . . . . . 227 ASN H . 51115 1 1041 . 1 . 1 227 227 ASN C C 13 175.442 0.008 . 1 . . . . . 227 ASN C . 51115 1 1042 . 1 . 1 227 227 ASN CA C 13 53.299 0.160 . 1 . . . . . 227 ASN CA . 51115 1 1043 . 1 . 1 227 227 ASN CB C 13 39.023 0.021 . 1 . . . . . 227 ASN CB . 51115 1 1044 . 1 . 1 227 227 ASN N N 15 119.815 0.122 . 1 . . . . . 227 ASN N . 51115 1 1045 . 1 . 1 228 228 GLU H H 1 8.498 0.001 . 1 . . . . . 228 GLU H . 51115 1 1046 . 1 . 1 228 228 GLU C C 13 176.256 0.004 . 1 . . . . . 228 GLU C . 51115 1 1047 . 1 . 1 228 228 GLU CA C 13 56.871 0.156 . 1 . . . . . 228 GLU CA . 51115 1 1048 . 1 . 1 228 228 GLU CB C 13 30.152 0.002 . 1 . . . . . 228 GLU CB . 51115 1 1049 . 1 . 1 228 228 GLU N N 15 121.497 0.120 . 1 . . . . . 228 GLU N . 51115 1 1050 . 1 . 1 229 229 ASN H H 1 8.416 0.007 . 1 . . . . . 229 ASN H . 51115 1 1051 . 1 . 1 229 229 ASN CA C 13 53.320 0.157 . 1 . . . . . 229 ASN CA . 51115 1 1052 . 1 . 1 229 229 ASN CB C 13 39.069 0.005 . 1 . . . . . 229 ASN CB . 51115 1 1053 . 1 . 1 229 229 ASN N N 15 118.602 0.115 . 1 . . . . . 229 ASN N . 51115 1 1054 . 1 . 1 230 230 LEU H H 1 7.976 0.007 . 1 . . . . . 230 LEU H . 51115 1 1055 . 1 . 1 230 230 LEU C C 13 176.762 0.005 . 1 . . . . . 230 LEU C . 51115 1 1056 . 1 . 1 230 230 LEU CA C 13 55.115 0.135 . 1 . . . . . 230 LEU CA . 51115 1 1057 . 1 . 1 230 230 LEU CB C 13 42.207 0.093 . 1 . . . . . 230 LEU CB . 51115 1 1058 . 1 . 1 230 230 LEU N N 15 121.502 0.121 . 1 . . . . . 230 LEU N . 51115 1 1059 . 1 . 1 231 231 TYR H H 1 7.973 0.008 . 1 . . . . . 231 TYR H . 51115 1 1060 . 1 . 1 231 231 TYR C C 13 175.229 0.009 . 1 . . . . . 231 TYR C . 51115 1 1061 . 1 . 1 231 231 TYR CA C 13 57.504 0.154 . 1 . . . . . 231 TYR CA . 51115 1 1062 . 1 . 1 231 231 TYR CB C 13 39.082 0.011 . 1 . . . . . 231 TYR CB . 51115 1 1063 . 1 . 1 231 231 TYR N N 15 119.520 0.106 . 1 . . . . . 231 TYR N . 51115 1 1064 . 1 . 1 232 232 PHE H H 1 8.013 0.008 . 1 . . . . . 232 PHE H . 51115 1 1065 . 1 . 1 232 232 PHE C C 13 173.772 1.067 . 1 . . . . . 232 PHE C . 51115 1 1066 . 1 . 1 232 232 PHE CA C 13 57.362 0.137 . 1 . . . . . 232 PHE CA . 51115 1 1067 . 1 . 1 232 232 PHE CB C 13 39.823 0.010 . 1 . . . . . 232 PHE CB . 51115 1 1068 . 1 . 1 232 232 PHE N N 15 121.314 0.119 . 1 . . . . . 232 PHE N . 51115 1 1069 . 1 . 1 233 233 GLN H H 1 7.792 0.009 . 1 . . . . . 233 GLN H . 51115 1 1070 . 1 . 1 233 233 GLN CA C 13 57.036 0.000 . 1 . . . . . 233 GLN CA . 51115 1 1071 . 1 . 1 233 233 GLN CB C 13 30.593 0.000 . 1 . . . . . 233 GLN CB . 51115 1 1072 . 1 . 1 233 233 GLN N N 15 126.130 0.118 . 1 . . . . . 233 GLN N . 51115 1 stop_ save_