data_50369 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50369 _Entry.Title ; Human AK3 apo-form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-29 _Entry.Accession_date 2020-06-29 _Entry.Last_release_date 2020-06-29 _Entry.Original_release_date 2020-06-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Bckbone assignments of Human AK3' _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 Per Rogne . . . 0000-0002-3687-9200 50369 2 Jack Goodman . . . . 50369 3 Magnus Wolf-Watz . . . . 50369 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Umea University, Department of Chemistry' . 50369 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50369 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 545 50369 '15N chemical shifts' 191 50369 '1H chemical shifts' 191 50369 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 . . 2021-04-12 2020-03-01 update BMRB 'update entry citation' 50369 1 . . 2020-08-25 2020-03-01 original author 'original release' 50369 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50369 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32822537 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for GTP versus ATP selectivity in the NMP kinase AK3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 38 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3570 _Citation.Page_last 3581 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Per Rogne . . . . 50369 1 2 Beata Dulko-Smith . . . . 50369 1 3 Jack Goodman . . . . 50369 1 4 Marie Rosselin . . . . 50369 1 5 Christin Grundstrom . . . . 50369 1 6 Christian Hedberg . . . . 50369 1 7 Kwangho Nam . . . . 50369 1 8 Elisabeth Sauer-Eriksson . . . . 50369 1 9 Magnus Wolf-Watz . . . . 50369 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Human AK3' 50369 1 'Solution NMR' 50369 1 'Substrate selectivity' 50369 1 'X-ray cristallography' 50369 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50369 _Assembly.ID 1 _Assembly.Name 'Human AK3' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25565 _Assembly.Enzyme_commission_number 2.7.4.10 _Assembly.Details 'Human AK3 bound to Mg2+' _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 AK3 1 $entity_1 . . yes native no no . . . 50369 1 2 Mg2+ 2 $entity_MG . . no native no no . . . 50369 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50369 _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 ; MGASARLLRAVIMGAPGSGK GTVSSRITTHFELKHLSSGD LLRDNMLRGTEIGVLAKAFI DQGKLIPDDVMTRLALHELK NLTQYSWLLDGFPRTLPQAE ALDRAYQIDTVINLNVPFEV IKQRLTARWIHPASGRVYNI EFNPPKTVGIDDLTGEPLIQ REDDKPETVIKRLKAYEDQT KPVLEYYQKKGVLETFSGTE TNKIWPYVYAFLQTKVPQRS QKASVTP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 227 _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 2.7.4.10 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25565 _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 . 50369 1 2 . GLY . 50369 1 3 . ALA . 50369 1 4 . SER . 50369 1 5 . ALA . 50369 1 6 . ARG . 50369 1 7 . LEU . 50369 1 8 . LEU . 50369 1 9 . ARG . 50369 1 10 . ALA . 50369 1 11 . VAL . 50369 1 12 . ILE . 50369 1 13 . MET . 50369 1 14 . GLY . 50369 1 15 . ALA . 50369 1 16 . PRO . 50369 1 17 . GLY . 50369 1 18 . SER . 50369 1 19 . GLY . 50369 1 20 . LYS . 50369 1 21 . GLY . 50369 1 22 . THR . 50369 1 23 . VAL . 50369 1 24 . SER . 50369 1 25 . SER . 50369 1 26 . ARG . 50369 1 27 . ILE . 50369 1 28 . THR . 50369 1 29 . THR . 50369 1 30 . HIS . 50369 1 31 . PHE . 50369 1 32 . GLU . 50369 1 33 . LEU . 50369 1 34 . LYS . 50369 1 35 . HIS . 50369 1 36 . LEU . 50369 1 37 . SER . 50369 1 38 . SER . 50369 1 39 . GLY . 50369 1 40 . ASP . 50369 1 41 . LEU . 50369 1 42 . LEU . 50369 1 43 . ARG . 50369 1 44 . ASP . 50369 1 45 . ASN . 50369 1 46 . MET . 50369 1 47 . LEU . 50369 1 48 . ARG . 50369 1 49 . GLY . 50369 1 50 . THR . 50369 1 51 . GLU . 50369 1 52 . ILE . 50369 1 53 . GLY . 50369 1 54 . VAL . 50369 1 55 . LEU . 50369 1 56 . ALA . 50369 1 57 . LYS . 50369 1 58 . ALA . 50369 1 59 . PHE . 50369 1 60 . ILE . 50369 1 61 . ASP . 50369 1 62 . GLN . 50369 1 63 . GLY . 50369 1 64 . LYS . 50369 1 65 . LEU . 50369 1 66 . ILE . 50369 1 67 . PRO . 50369 1 68 . ASP . 50369 1 69 . ASP . 50369 1 70 . VAL . 50369 1 71 . MET . 50369 1 72 . THR . 50369 1 73 . ARG . 50369 1 74 . LEU . 50369 1 75 . ALA . 50369 1 76 . LEU . 50369 1 77 . HIS . 50369 1 78 . GLU . 50369 1 79 . LEU . 50369 1 80 . LYS . 50369 1 81 . ASN . 50369 1 82 . LEU . 50369 1 83 . THR . 50369 1 84 . GLN . 50369 1 85 . TYR . 50369 1 86 . SER . 50369 1 87 . TRP . 50369 1 88 . LEU . 50369 1 89 . LEU . 50369 1 90 . ASP . 50369 1 91 . GLY . 50369 1 92 . PHE . 50369 1 93 . PRO . 50369 1 94 . ARG . 50369 1 95 . THR . 50369 1 96 . LEU . 50369 1 97 . PRO . 50369 1 98 . GLN . 50369 1 99 . ALA . 50369 1 100 . GLU . 50369 1 101 . ALA . 50369 1 102 . LEU . 50369 1 103 . ASP . 50369 1 104 . ARG . 50369 1 105 . ALA . 50369 1 106 . TYR . 50369 1 107 . GLN . 50369 1 108 . ILE . 50369 1 109 . ASP . 50369 1 110 . THR . 50369 1 111 . VAL . 50369 1 112 . ILE . 50369 1 113 . ASN . 50369 1 114 . LEU . 50369 1 115 . ASN . 50369 1 116 . VAL . 50369 1 117 . PRO . 50369 1 118 . PHE . 50369 1 119 . GLU . 50369 1 120 . VAL . 50369 1 121 . ILE . 50369 1 122 . LYS . 50369 1 123 . GLN . 50369 1 124 . ARG . 50369 1 125 . LEU . 50369 1 126 . THR . 50369 1 127 . ALA . 50369 1 128 . ARG . 50369 1 129 . TRP . 50369 1 130 . ILE . 50369 1 131 . HIS . 50369 1 132 . PRO . 50369 1 133 . ALA . 50369 1 134 . SER . 50369 1 135 . GLY . 50369 1 136 . ARG . 50369 1 137 . VAL . 50369 1 138 . TYR . 50369 1 139 . ASN . 50369 1 140 . ILE . 50369 1 141 . GLU . 50369 1 142 . PHE . 50369 1 143 . ASN . 50369 1 144 . PRO . 50369 1 145 . PRO . 50369 1 146 . LYS . 50369 1 147 . THR . 50369 1 148 . VAL . 50369 1 149 . GLY . 50369 1 150 . ILE . 50369 1 151 . ASP . 50369 1 152 . ASP . 50369 1 153 . LEU . 50369 1 154 . THR . 50369 1 155 . GLY . 50369 1 156 . GLU . 50369 1 157 . PRO . 50369 1 158 . LEU . 50369 1 159 . ILE . 50369 1 160 . GLN . 50369 1 161 . ARG . 50369 1 162 . GLU . 50369 1 163 . ASP . 50369 1 164 . ASP . 50369 1 165 . LYS . 50369 1 166 . PRO . 50369 1 167 . GLU . 50369 1 168 . THR . 50369 1 169 . VAL . 50369 1 170 . ILE . 50369 1 171 . LYS . 50369 1 172 . ARG . 50369 1 173 . LEU . 50369 1 174 . LYS . 50369 1 175 . ALA . 50369 1 176 . TYR . 50369 1 177 . GLU . 50369 1 178 . ASP . 50369 1 179 . GLN . 50369 1 180 . THR . 50369 1 181 . LYS . 50369 1 182 . PRO . 50369 1 183 . VAL . 50369 1 184 . LEU . 50369 1 185 . GLU . 50369 1 186 . TYR . 50369 1 187 . TYR . 50369 1 188 . GLN . 50369 1 189 . LYS . 50369 1 190 . LYS . 50369 1 191 . GLY . 50369 1 192 . VAL . 50369 1 193 . LEU . 50369 1 194 . GLU . 50369 1 195 . THR . 50369 1 196 . PHE . 50369 1 197 . SER . 50369 1 198 . GLY . 50369 1 199 . THR . 50369 1 200 . GLU . 50369 1 201 . THR . 50369 1 202 . ASN . 50369 1 203 . LYS . 50369 1 204 . ILE . 50369 1 205 . TRP . 50369 1 206 . PRO . 50369 1 207 . TYR . 50369 1 208 . VAL . 50369 1 209 . TYR . 50369 1 210 . ALA . 50369 1 211 . PHE . 50369 1 212 . LEU . 50369 1 213 . GLN . 50369 1 214 . THR . 50369 1 215 . LYS . 50369 1 216 . VAL . 50369 1 217 . PRO . 50369 1 218 . GLN . 50369 1 219 . ARG . 50369 1 220 . SER . 50369 1 221 . GLN . 50369 1 222 . LYS . 50369 1 223 . ALA . 50369 1 224 . SER . 50369 1 225 . VAL . 50369 1 226 . THR . 50369 1 227 . PRO . 50369 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 50369 1 . GLY 2 2 50369 1 . ALA 3 3 50369 1 . SER 4 4 50369 1 . ALA 5 5 50369 1 . ARG 6 6 50369 1 . LEU 7 7 50369 1 . LEU 8 8 50369 1 . ARG 9 9 50369 1 . ALA 10 10 50369 1 . VAL 11 11 50369 1 . ILE 12 12 50369 1 . MET 13 13 50369 1 . GLY 14 14 50369 1 . ALA 15 15 50369 1 . PRO 16 16 50369 1 . GLY 17 17 50369 1 . SER 18 18 50369 1 . GLY 19 19 50369 1 . LYS 20 20 50369 1 . GLY 21 21 50369 1 . THR 22 22 50369 1 . VAL 23 23 50369 1 . SER 24 24 50369 1 . SER 25 25 50369 1 . ARG 26 26 50369 1 . ILE 27 27 50369 1 . THR 28 28 50369 1 . THR 29 29 50369 1 . HIS 30 30 50369 1 . PHE 31 31 50369 1 . GLU 32 32 50369 1 . LEU 33 33 50369 1 . LYS 34 34 50369 1 . HIS 35 35 50369 1 . LEU 36 36 50369 1 . SER 37 37 50369 1 . SER 38 38 50369 1 . GLY 39 39 50369 1 . ASP 40 40 50369 1 . LEU 41 41 50369 1 . LEU 42 42 50369 1 . ARG 43 43 50369 1 . ASP 44 44 50369 1 . ASN 45 45 50369 1 . MET 46 46 50369 1 . LEU 47 47 50369 1 . ARG 48 48 50369 1 . GLY 49 49 50369 1 . THR 50 50 50369 1 . GLU 51 51 50369 1 . ILE 52 52 50369 1 . GLY 53 53 50369 1 . VAL 54 54 50369 1 . LEU 55 55 50369 1 . ALA 56 56 50369 1 . LYS 57 57 50369 1 . ALA 58 58 50369 1 . PHE 59 59 50369 1 . ILE 60 60 50369 1 . ASP 61 61 50369 1 . GLN 62 62 50369 1 . GLY 63 63 50369 1 . LYS 64 64 50369 1 . LEU 65 65 50369 1 . ILE 66 66 50369 1 . PRO 67 67 50369 1 . ASP 68 68 50369 1 . ASP 69 69 50369 1 . VAL 70 70 50369 1 . MET 71 71 50369 1 . THR 72 72 50369 1 . ARG 73 73 50369 1 . LEU 74 74 50369 1 . ALA 75 75 50369 1 . LEU 76 76 50369 1 . HIS 77 77 50369 1 . GLU 78 78 50369 1 . LEU 79 79 50369 1 . LYS 80 80 50369 1 . ASN 81 81 50369 1 . LEU 82 82 50369 1 . THR 83 83 50369 1 . GLN 84 84 50369 1 . TYR 85 85 50369 1 . SER 86 86 50369 1 . TRP 87 87 50369 1 . LEU 88 88 50369 1 . LEU 89 89 50369 1 . ASP 90 90 50369 1 . GLY 91 91 50369 1 . PHE 92 92 50369 1 . PRO 93 93 50369 1 . ARG 94 94 50369 1 . THR 95 95 50369 1 . LEU 96 96 50369 1 . PRO 97 97 50369 1 . GLN 98 98 50369 1 . ALA 99 99 50369 1 . GLU 100 100 50369 1 . ALA 101 101 50369 1 . LEU 102 102 50369 1 . ASP 103 103 50369 1 . ARG 104 104 50369 1 . ALA 105 105 50369 1 . TYR 106 106 50369 1 . GLN 107 107 50369 1 . ILE 108 108 50369 1 . ASP 109 109 50369 1 . THR 110 110 50369 1 . VAL 111 111 50369 1 . ILE 112 112 50369 1 . ASN 113 113 50369 1 . LEU 114 114 50369 1 . ASN 115 115 50369 1 . VAL 116 116 50369 1 . PRO 117 117 50369 1 . PHE 118 118 50369 1 . GLU 119 119 50369 1 . VAL 120 120 50369 1 . ILE 121 121 50369 1 . LYS 122 122 50369 1 . GLN 123 123 50369 1 . ARG 124 124 50369 1 . LEU 125 125 50369 1 . THR 126 126 50369 1 . ALA 127 127 50369 1 . ARG 128 128 50369 1 . TRP 129 129 50369 1 . ILE 130 130 50369 1 . HIS 131 131 50369 1 . PRO 132 132 50369 1 . ALA 133 133 50369 1 . SER 134 134 50369 1 . GLY 135 135 50369 1 . ARG 136 136 50369 1 . VAL 137 137 50369 1 . TYR 138 138 50369 1 . ASN 139 139 50369 1 . ILE 140 140 50369 1 . GLU 141 141 50369 1 . PHE 142 142 50369 1 . ASN 143 143 50369 1 . PRO 144 144 50369 1 . PRO 145 145 50369 1 . LYS 146 146 50369 1 . THR 147 147 50369 1 . VAL 148 148 50369 1 . GLY 149 149 50369 1 . ILE 150 150 50369 1 . ASP 151 151 50369 1 . ASP 152 152 50369 1 . LEU 153 153 50369 1 . THR 154 154 50369 1 . GLY 155 155 50369 1 . GLU 156 156 50369 1 . PRO 157 157 50369 1 . LEU 158 158 50369 1 . ILE 159 159 50369 1 . GLN 160 160 50369 1 . ARG 161 161 50369 1 . GLU 162 162 50369 1 . ASP 163 163 50369 1 . ASP 164 164 50369 1 . LYS 165 165 50369 1 . PRO 166 166 50369 1 . GLU 167 167 50369 1 . THR 168 168 50369 1 . VAL 169 169 50369 1 . ILE 170 170 50369 1 . LYS 171 171 50369 1 . ARG 172 172 50369 1 . LEU 173 173 50369 1 . LYS 174 174 50369 1 . ALA 175 175 50369 1 . TYR 176 176 50369 1 . GLU 177 177 50369 1 . ASP 178 178 50369 1 . GLN 179 179 50369 1 . THR 180 180 50369 1 . LYS 181 181 50369 1 . PRO 182 182 50369 1 . VAL 183 183 50369 1 . LEU 184 184 50369 1 . GLU 185 185 50369 1 . TYR 186 186 50369 1 . TYR 187 187 50369 1 . GLN 188 188 50369 1 . LYS 189 189 50369 1 . LYS 190 190 50369 1 . GLY 191 191 50369 1 . VAL 192 192 50369 1 . LEU 193 193 50369 1 . GLU 194 194 50369 1 . THR 195 195 50369 1 . PHE 196 196 50369 1 . SER 197 197 50369 1 . GLY 198 198 50369 1 . THR 199 199 50369 1 . GLU 200 200 50369 1 . THR 201 201 50369 1 . ASN 202 202 50369 1 . LYS 203 203 50369 1 . ILE 204 204 50369 1 . TRP 205 205 50369 1 . PRO 206 206 50369 1 . TYR 207 207 50369 1 . VAL 208 208 50369 1 . TYR 209 209 50369 1 . ALA 210 210 50369 1 . PHE 211 211 50369 1 . LEU 212 212 50369 1 . GLN 213 213 50369 1 . THR 214 214 50369 1 . LYS 215 215 50369 1 . VAL 216 216 50369 1 . PRO 217 217 50369 1 . GLN 218 218 50369 1 . ARG 219 219 50369 1 . SER 220 220 50369 1 . GLN 221 221 50369 1 . LYS 222 222 50369 1 . ALA 223 223 50369 1 . SER 224 224 50369 1 . VAL 225 225 50369 1 . THR 226 226 50369 1 . PRO 227 227 50369 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 50369 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 50369 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 50369 2 MG 'Three letter code' 50369 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 50369 2 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 50369 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50369 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 50369 _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 . . pET24d-AK3 . . . 50369 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 50369 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 50369 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 50369 MG [Mg++] SMILES CACTVS 3.341 50369 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 50369 MG [Mg+2] SMILES ACDLabs 10.04 50369 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 50369 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50369 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 50369 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50369 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50369 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50369 _Sample.ID 1 _Sample.Name 'Triple label AK3' _Sample.Type solution _Sample.Sub_type . _Sample.Details '700uM triple labeled Human AK3' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Human AK3' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 700 . . uM . . . . 50369 1 2 MOPS 'natural abundance' . . . . . . 30 . . mM . . . . 50369 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50369 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 50369 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Normal conditions' _Sample_condition_list.Details '25oC ambient pressure pH 7' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 50369 1 pH 7 . pH 50369 1 pressure 1 . atm 50369 1 temperature 298 0 K 50369 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50369 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50369 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50369 _Software.ID 2 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50369 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50369 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50369 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50369 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50369 4 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 50369 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50369 _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 HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50369 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50369 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50369 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50369 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50369 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50369 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 50369 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'AK3 apo' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25 . . . . . 50369 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50369 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1 . . . . . 50369 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 50369 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AK3 apo' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 HNCO' . . . 50369 1 3 '3D HNCA' . . . 50369 1 4 '3D HN(CO)CA' . . . 50369 1 5 '3D HNCACB' . . . 50369 1 6 '3D CBCA(CO)NH' . . . 50369 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 4 $software_4 . . 50369 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 5 5 ALA H H 1 8.158 0.01 . . . . . . . 5 ALA H . 50369 1 2 . 1 . 1 5 5 ALA C C 13 177.013 0.05 . . . . . . . 5 ALA C . 50369 1 3 . 1 . 1 5 5 ALA CA C 13 51.779 0.05 . . . . . . . 5 ALA CA . 50369 1 4 . 1 . 1 5 5 ALA CB C 13 18.495 0.05 . . . . . . . 5 ALA CB . 50369 1 5 . 1 . 1 5 5 ALA N N 15 126.330 0.05 . . . . . . . 5 ALA N . 50369 1 6 . 1 . 1 6 6 ARG H H 1 8.114 0.01 . . . . . . . 6 ARG H . 50369 1 7 . 1 . 1 6 6 ARG C C 13 175.542 0.05 . . . . . . . 6 ARG C . 50369 1 8 . 1 . 1 6 6 ARG CA C 13 55.219 0.05 . . . . . . . 6 ARG CA . 50369 1 9 . 1 . 1 6 6 ARG CB C 13 29.835 0.05 . . . . . . . 6 ARG CB . 50369 1 10 . 1 . 1 6 6 ARG N N 15 121.402 0.05 . . . . . . . 6 ARG N . 50369 1 11 . 1 . 1 7 7 LEU H H 1 7.995 0.01 . . . . . . . 7 LEU H . 50369 1 12 . 1 . 1 7 7 LEU C C 13 175.895 0.05 . . . . . . . 7 LEU C . 50369 1 13 . 1 . 1 7 7 LEU CA C 13 53.484 0.05 . . . . . . . 7 LEU CA . 50369 1 14 . 1 . 1 7 7 LEU CB C 13 40.968 0.05 . . . . . . . 7 LEU CB . 50369 1 15 . 1 . 1 7 7 LEU N N 15 124.691 0.05 . . . . . . . 7 LEU N . 50369 1 16 . 1 . 1 8 8 LEU H H 1 8.473 0.01 . . . . . . . 8 LEU H . 50369 1 17 . 1 . 1 8 8 LEU C C 13 175.881 0.05 . . . . . . . 8 LEU C . 50369 1 18 . 1 . 1 8 8 LEU CA C 13 53.954 0.05 . . . . . . . 8 LEU CA . 50369 1 19 . 1 . 1 8 8 LEU CB C 13 43.250 0.05 . . . . . . . 8 LEU CB . 50369 1 20 . 1 . 1 8 8 LEU N N 15 125.758 0.05 . . . . . . . 8 LEU N . 50369 1 21 . 1 . 1 9 9 ARG H H 1 9.266 0.01 . . . . . . . 9 ARG H . 50369 1 22 . 1 . 1 9 9 ARG C C 13 173.380 0.05 . . . . . . . 9 ARG C . 50369 1 23 . 1 . 1 9 9 ARG CA C 13 55.219 0.05 . . . . . . . 9 ARG CA . 50369 1 24 . 1 . 1 9 9 ARG CB C 13 28.660 0.05 . . . . . . . 9 ARG CB . 50369 1 25 . 1 . 1 9 9 ARG N N 15 130.973 0.05 . . . . . . . 9 ARG N . 50369 1 26 . 1 . 1 10 10 ALA H H 1 8.005 0.01 . . . . . . . 10 ALA H . 50369 1 27 . 1 . 1 10 10 ALA C C 13 182.412 0.05 . . . . . . . 10 ALA C . 50369 1 28 . 1 . 1 10 10 ALA CA C 13 49.074 0.05 . . . . . . . 10 ALA CA . 50369 1 29 . 1 . 1 10 10 ALA CB C 13 22.160 0.05 . . . . . . . 10 ALA CB . 50369 1 30 . 1 . 1 10 10 ALA N N 15 124.624 0.05 . . . . . . . 10 ALA N . 50369 1 31 . 1 . 1 11 11 VAL H H 1 7.961 0.01 . . . . . . . 11 VAL H . 50369 1 32 . 1 . 1 11 11 VAL C C 13 174.145 0.05 . . . . . . . 11 VAL C . 50369 1 33 . 1 . 1 11 11 VAL CA C 13 59.834 0.05 . . . . . . . 11 VAL CA . 50369 1 34 . 1 . 1 11 11 VAL CB C 13 36.405 0.05 . . . . . . . 11 VAL CB . 50369 1 35 . 1 . 1 11 11 VAL N N 15 120.163 0.05 . . . . . . . 11 VAL N . 50369 1 36 . 1 . 1 12 12 ILE H H 1 8.673 0.01 . . . . . . . 12 ILE H . 50369 1 37 . 1 . 1 12 12 ILE C C 13 172.762 0.05 . . . . . . . 12 ILE C . 50369 1 38 . 1 . 1 12 12 ILE CA C 13 57.482 0.05 . . . . . . . 12 ILE CA . 50369 1 39 . 1 . 1 12 12 ILE CB C 13 41.383 0.05 . . . . . . . 12 ILE CB . 50369 1 40 . 1 . 1 12 12 ILE N N 15 123.711 0.05 . . . . . . . 12 ILE N . 50369 1 41 . 1 . 1 13 13 MET H H 1 9.331 0.01 . . . . . . . 13 MET H . 50369 1 42 . 1 . 1 13 13 MET C C 13 173.718 0.05 . . . . . . . 13 MET C . 50369 1 43 . 1 . 1 13 13 MET CA C 13 53.778 0.05 . . . . . . . 13 MET CA . 50369 1 44 . 1 . 1 13 13 MET CB C 13 35.644 0.05 . . . . . . . 13 MET CB . 50369 1 45 . 1 . 1 13 13 MET N N 15 126.942 0.05 . . . . . . . 13 MET N . 50369 1 46 . 1 . 1 14 14 GLY H H 1 7.457 0.01 . . . . . . . 14 GLY H . 50369 1 47 . 1 . 1 14 14 GLY C C 13 171.394 0.05 . . . . . . . 14 GLY C . 50369 1 48 . 1 . 1 14 14 GLY CA C 13 44.987 0.05 . . . . . . . 14 GLY CA . 50369 1 49 . 1 . 1 14 14 GLY N N 15 106.533 0.05 . . . . . . . 14 GLY N . 50369 1 50 . 1 . 1 15 15 ALA H H 1 8.929 0.01 . . . . . . . 15 ALA H . 50369 1 51 . 1 . 1 15 15 ALA C C 13 175.616 0.05 . . . . . . . 15 ALA C . 50369 1 52 . 1 . 1 15 15 ALA CA C 13 49.838 0.05 . . . . . . . 15 ALA CA . 50369 1 53 . 1 . 1 15 15 ALA CB C 13 16.351 0.05 . . . . . . . 15 ALA CB . 50369 1 54 . 1 . 1 15 15 ALA N N 15 125.415 0.05 . . . . . . . 15 ALA N . 50369 1 55 . 1 . 1 17 17 GLY H H 1 8.038 0.01 . . . . . . . 17 GLY H . 50369 1 56 . 1 . 1 17 17 GLY C C 13 175.042 0.05 . . . . . . . 17 GLY C . 50369 1 57 . 1 . 1 17 17 GLY CA C 13 45.193 0.05 . . . . . . . 17 GLY CA . 50369 1 58 . 1 . 1 17 17 GLY N N 15 108.183 0.05 . . . . . . . 17 GLY N . 50369 1 59 . 1 . 1 18 18 SER H H 1 7.995 0.01 . . . . . . . 18 SER H . 50369 1 60 . 1 . 1 18 18 SER C C 13 174.395 0.05 . . . . . . . 18 SER C . 50369 1 61 . 1 . 1 18 18 SER CA C 13 59.834 0.05 . . . . . . . 18 SER CA . 50369 1 62 . 1 . 1 18 18 SER CB C 13 64.687 0.05 . . . . . . . 18 SER CB . 50369 1 63 . 1 . 1 18 18 SER N N 15 113.266 0.05 . . . . . . . 18 SER N . 50369 1 64 . 1 . 1 19 19 GLY H H 1 8.406 0.01 . . . . . . . 19 GLY H . 50369 1 65 . 1 . 1 19 19 GLY CA C 13 44.399 0.05 . . . . . . . 19 GLY CA . 50369 1 66 . 1 . 1 19 19 GLY N N 15 109.612 0.05 . . . . . . . 19 GLY N . 50369 1 67 . 1 . 1 20 20 LYS H H 1 7.440 0.01 . . . . . . . 20 LYS H . 50369 1 68 . 1 . 1 20 20 LYS C C 13 177.102 0.05 . . . . . . . 20 LYS C . 50369 1 69 . 1 . 1 20 20 LYS CA C 13 59.540 0.05 . . . . . . . 20 LYS CA . 50369 1 70 . 1 . 1 20 20 LYS CB C 13 30.458 0.05 . . . . . . . 20 LYS CB . 50369 1 71 . 1 . 1 20 20 LYS N N 15 121.211 0.05 . . . . . . . 20 LYS N . 50369 1 72 . 1 . 1 22 22 THR H H 1 7.492 0.01 . . . . . . . 22 THR H . 50369 1 73 . 1 . 1 22 22 THR CA C 13 65.391 0.05 . . . . . . . 22 THR CA . 50369 1 74 . 1 . 1 22 22 THR CB C 13 67.730 0.05 . . . . . . . 22 THR CB . 50369 1 75 . 1 . 1 22 22 THR N N 15 120.383 0.05 . . . . . . . 22 THR N . 50369 1 76 . 1 . 1 23 23 VAL H H 1 7.921 0.01 . . . . . . . 23 VAL H . 50369 1 77 . 1 . 1 23 23 VAL C C 13 177.219 0.05 . . . . . . . 23 VAL C . 50369 1 78 . 1 . 1 23 23 VAL CA C 13 67.067 0.05 . . . . . . . 23 VAL CA . 50369 1 79 . 1 . 1 23 23 VAL CB C 13 30.181 0.05 . . . . . . . 23 VAL CB . 50369 1 80 . 1 . 1 23 23 VAL N N 15 121.445 0.05 . . . . . . . 23 VAL N . 50369 1 81 . 1 . 1 24 24 SER H H 1 8.937 0.01 . . . . . . . 24 SER H . 50369 1 82 . 1 . 1 24 24 SER CA C 13 62.598 0.05 . . . . . . . 24 SER CA . 50369 1 83 . 1 . 1 24 24 SER CB C 13 61.437 0.05 . . . . . . . 24 SER CB . 50369 1 84 . 1 . 1 24 24 SER N N 15 117.062 0.05 . . . . . . . 24 SER N . 50369 1 85 . 1 . 1 25 25 SER H H 1 7.408 0.01 . . . . . . . 25 SER H . 50369 1 86 . 1 . 1 25 25 SER CA C 13 60.834 0.05 . . . . . . . 25 SER CA . 50369 1 87 . 1 . 1 25 25 SER CB C 13 62.254 0.05 . . . . . . . 25 SER CB . 50369 1 88 . 1 . 1 25 25 SER N N 15 116.721 0.05 . . . . . . . 25 SER N . 50369 1 89 . 1 . 1 26 26 ARG H H 1 7.680 0.01 . . . . . . . 26 ARG H . 50369 1 90 . 1 . 1 26 26 ARG C C 13 179.161 0.05 . . . . . . . 26 ARG C . 50369 1 91 . 1 . 1 26 26 ARG CA C 13 59.188 0.05 . . . . . . . 26 ARG CA . 50369 1 92 . 1 . 1 26 26 ARG CB C 13 26.654 0.05 . . . . . . . 26 ARG CB . 50369 1 93 . 1 . 1 26 26 ARG N N 15 122.287 0.05 . . . . . . . 26 ARG N . 50369 1 94 . 1 . 1 27 27 ILE H H 1 8.620 0.01 . . . . . . . 27 ILE H . 50369 1 95 . 1 . 1 27 27 ILE C C 13 177.307 0.05 . . . . . . . 27 ILE C . 50369 1 96 . 1 . 1 27 27 ILE CA C 13 66.743 0.05 . . . . . . . 27 ILE CA . 50369 1 97 . 1 . 1 27 27 ILE CB C 13 36.405 0.05 . . . . . . . 27 ILE CB . 50369 1 98 . 1 . 1 27 27 ILE N N 15 120.651 0.05 . . . . . . . 27 ILE N . 50369 1 99 . 1 . 1 28 28 THR H H 1 7.768 0.01 . . . . . . . 28 THR H . 50369 1 100 . 1 . 1 28 28 THR C C 13 176.101 0.05 . . . . . . . 28 THR C . 50369 1 101 . 1 . 1 28 28 THR CA C 13 64.803 0.05 . . . . . . . 28 THR CA . 50369 1 102 . 1 . 1 28 28 THR CB C 13 68.144 0.05 . . . . . . . 28 THR CB . 50369 1 103 . 1 . 1 28 28 THR N N 15 111.042 0.05 . . . . . . . 28 THR N . 50369 1 104 . 1 . 1 29 29 THR H H 1 7.770 0.01 . . . . . . . 29 THR H . 50369 1 105 . 1 . 1 29 29 THR C C 13 175.469 0.05 . . . . . . . 29 THR C . 50369 1 106 . 1 . 1 29 29 THR CA C 13 65.215 0.05 . . . . . . . 29 THR CA . 50369 1 107 . 1 . 1 29 29 THR CB C 13 68.468 0.05 . . . . . . . 29 THR CB . 50369 1 108 . 1 . 1 29 29 THR N N 15 116.713 0.05 . . . . . . . 29 THR N . 50369 1 109 . 1 . 1 30 30 HIS H H 1 7.614 0.01 . . . . . . . 30 HIS H . 50369 1 110 . 1 . 1 30 30 HIS C C 13 175.719 0.05 . . . . . . . 30 HIS C . 50369 1 111 . 1 . 1 30 30 HIS CA C 13 59.011 0.05 . . . . . . . 30 HIS CA . 50369 1 112 . 1 . 1 30 30 HIS CB C 13 31.218 0.05 . . . . . . . 30 HIS CB . 50369 1 113 . 1 . 1 30 30 HIS N N 15 117.045 0.05 . . . . . . . 30 HIS N . 50369 1 114 . 1 . 1 31 31 PHE H H 1 8.556 0.01 . . . . . . . 31 PHE H . 50369 1 115 . 1 . 1 31 31 PHE C C 13 174.130 0.05 . . . . . . . 31 PHE C . 50369 1 116 . 1 . 1 31 31 PHE CA C 13 57.424 0.05 . . . . . . . 31 PHE CA . 50369 1 117 . 1 . 1 31 31 PHE CB C 13 40.623 0.05 . . . . . . . 31 PHE CB . 50369 1 118 . 1 . 1 31 31 PHE N N 15 118.605 0.05 . . . . . . . 31 PHE N . 50369 1 119 . 1 . 1 32 32 GLU H H 1 8.337 0.01 . . . . . . . 32 GLU H . 50369 1 120 . 1 . 1 32 32 GLU C C 13 173.557 0.05 . . . . . . . 32 GLU C . 50369 1 121 . 1 . 1 32 32 GLU CA C 13 54.719 0.05 . . . . . . . 32 GLU CA . 50369 1 122 . 1 . 1 32 32 GLU CB C 13 27.484 0.05 . . . . . . . 32 GLU CB . 50369 1 123 . 1 . 1 32 32 GLU N N 15 120.998 0.05 . . . . . . . 32 GLU N . 50369 1 124 . 1 . 1 33 33 LEU H H 1 7.800 0.01 . . . . . . . 33 LEU H . 50369 1 125 . 1 . 1 33 33 LEU C C 13 174.939 0.05 . . . . . . . 33 LEU C . 50369 1 126 . 1 . 1 33 33 LEU CA C 13 53.602 0.05 . . . . . . . 33 LEU CA . 50369 1 127 . 1 . 1 33 33 LEU CB C 13 43.942 0.05 . . . . . . . 33 LEU CB . 50369 1 128 . 1 . 1 33 33 LEU N N 15 123.167 0.05 . . . . . . . 33 LEU N . 50369 1 129 . 1 . 1 34 34 LYS H H 1 8.410 0.01 . . . . . . . 34 LYS H . 50369 1 130 . 1 . 1 34 34 LYS C C 13 174.483 0.05 . . . . . . . 34 LYS C . 50369 1 131 . 1 . 1 34 34 LYS CA C 13 54.248 0.05 . . . . . . . 34 LYS CA . 50369 1 132 . 1 . 1 34 34 LYS CB C 13 32.463 0.05 . . . . . . . 34 LYS CB . 50369 1 133 . 1 . 1 34 34 LYS N N 15 121.702 0.05 . . . . . . . 34 LYS N . 50369 1 134 . 1 . 1 35 35 HIS H H 1 8.755 0.01 . . . . . . . 35 HIS H . 50369 1 135 . 1 . 1 35 35 HIS C C 13 173.998 0.05 . . . . . . . 35 HIS C . 50369 1 136 . 1 . 1 35 35 HIS CA C 13 54.101 0.05 . . . . . . . 35 HIS CA . 50369 1 137 . 1 . 1 35 35 HIS CB C 13 31.871 0.05 . . . . . . . 35 HIS CB . 50369 1 138 . 1 . 1 35 35 HIS N N 15 126.871 0.05 . . . . . . . 35 HIS N . 50369 1 139 . 1 . 1 36 36 LEU H H 1 8.726 0.01 . . . . . . . 36 LEU H . 50369 1 140 . 1 . 1 36 36 LEU C C 13 173.895 0.05 . . . . . . . 36 LEU C . 50369 1 141 . 1 . 1 36 36 LEU CA C 13 52.396 0.05 . . . . . . . 36 LEU CA . 50369 1 142 . 1 . 1 36 36 LEU CB C 13 42.213 0.05 . . . . . . . 36 LEU CB . 50369 1 143 . 1 . 1 36 36 LEU N N 15 131.961 0.05 . . . . . . . 36 LEU N . 50369 1 144 . 1 . 1 37 37 SER H H 1 8.404 0.01 . . . . . . . 37 SER H . 50369 1 145 . 1 . 1 37 37 SER C C 13 176.557 0.05 . . . . . . . 37 SER C . 50369 1 146 . 1 . 1 37 37 SER CA C 13 54.836 0.05 . . . . . . . 37 SER CA . 50369 1 147 . 1 . 1 37 37 SER CB C 13 64.039 0.05 . . . . . . . 37 SER CB . 50369 1 148 . 1 . 1 37 37 SER N N 15 119.118 0.05 . . . . . . . 37 SER N . 50369 1 149 . 1 . 1 38 38 SER H H 1 8.562 0.01 . . . . . . . 38 SER H . 50369 1 150 . 1 . 1 38 38 SER CA C 13 61.951 0.05 . . . . . . . 38 SER CA . 50369 1 151 . 1 . 1 38 38 SER N N 15 121.570 0.05 . . . . . . . 38 SER N . 50369 1 152 . 1 . 1 39 39 GLY H H 1 8.348 0.01 . . . . . . . 39 GLY H . 50369 1 153 . 1 . 1 39 39 GLY C C 13 176.528 0.05 . . . . . . . 39 GLY C . 50369 1 154 . 1 . 1 39 39 GLY CA C 13 46.457 0.05 . . . . . . . 39 GLY CA . 50369 1 155 . 1 . 1 39 39 GLY N N 15 108.545 0.05 . . . . . . . 39 GLY N . 50369 1 156 . 1 . 1 40 40 ASP H H 1 7.343 0.01 . . . . . . . 40 ASP H . 50369 1 157 . 1 . 1 40 40 ASP C C 13 177.852 0.05 . . . . . . . 40 ASP C . 50369 1 158 . 1 . 1 40 40 ASP CA C 13 56.600 0.05 . . . . . . . 40 ASP CA . 50369 1 159 . 1 . 1 40 40 ASP CB C 13 39.447 0.05 . . . . . . . 40 ASP CB . 50369 1 160 . 1 . 1 40 40 ASP N N 15 123.400 0.05 . . . . . . . 40 ASP N . 50369 1 161 . 1 . 1 41 41 LEU H H 1 7.752 0.01 . . . . . . . 41 LEU H . 50369 1 162 . 1 . 1 41 41 LEU C C 13 179.632 0.05 . . . . . . . 41 LEU C . 50369 1 163 . 1 . 1 41 41 LEU CA C 13 56.983 0.05 . . . . . . . 41 LEU CA . 50369 1 164 . 1 . 1 41 41 LEU CB C 13 40.623 0.05 . . . . . . . 41 LEU CB . 50369 1 165 . 1 . 1 41 41 LEU N N 15 119.592 0.05 . . . . . . . 41 LEU N . 50369 1 166 . 1 . 1 43 43 ARG H H 1 7.731 0.01 . . . . . . . 43 ARG H . 50369 1 167 . 1 . 1 43 43 ARG C C 13 178.661 0.05 . . . . . . . 43 ARG C . 50369 1 168 . 1 . 1 43 43 ARG CA C 13 59.070 0.05 . . . . . . . 43 ARG CA . 50369 1 169 . 1 . 1 43 43 ARG CB C 13 29.006 0.05 . . . . . . . 43 ARG CB . 50369 1 170 . 1 . 1 43 43 ARG N N 15 119.563 0.05 . . . . . . . 43 ARG N . 50369 1 171 . 1 . 1 44 44 ASP H H 1 8.426 0.01 . . . . . . . 44 ASP H . 50369 1 172 . 1 . 1 44 44 ASP C C 13 178.411 0.05 . . . . . . . 44 ASP C . 50369 1 173 . 1 . 1 44 44 ASP CA C 13 57.100 0.05 . . . . . . . 44 ASP CA . 50369 1 174 . 1 . 1 44 44 ASP CB C 13 40.208 0.05 . . . . . . . 44 ASP CB . 50369 1 175 . 1 . 1 44 44 ASP N N 15 118.915 0.05 . . . . . . . 44 ASP N . 50369 1 176 . 1 . 1 45 45 ASN H H 1 7.769 0.01 . . . . . . . 45 ASN H . 50369 1 177 . 1 . 1 45 45 ASN C C 13 177.587 0.05 . . . . . . . 45 ASN C . 50369 1 178 . 1 . 1 45 45 ASN CA C 13 57.365 0.05 . . . . . . . 45 ASN CA . 50369 1 179 . 1 . 1 45 45 ASN CB C 13 38.756 0.05 . . . . . . . 45 ASN CB . 50369 1 180 . 1 . 1 45 45 ASN N N 15 117.130 0.05 . . . . . . . 45 ASN N . 50369 1 181 . 1 . 1 46 46 MET H H 1 8.103 0.01 . . . . . . . 46 MET H . 50369 1 182 . 1 . 1 46 46 MET C C 13 178.837 0.05 . . . . . . . 46 MET C . 50369 1 183 . 1 . 1 46 46 MET CA C 13 59.393 0.05 . . . . . . . 46 MET CA . 50369 1 184 . 1 . 1 46 46 MET CB C 13 32.117 0.05 . . . . . . . 46 MET CB . 50369 1 185 . 1 . 1 46 46 MET N N 15 117.821 0.05 . . . . . . . 46 MET N . 50369 1 186 . 1 . 1 47 47 LEU H H 1 8.144 0.01 . . . . . . . 47 LEU H . 50369 1 187 . 1 . 1 47 47 LEU C C 13 179.146 0.05 . . . . . . . 47 LEU C . 50369 1 188 . 1 . 1 47 47 LEU CA C 13 57.071 0.05 . . . . . . . 47 LEU CA . 50369 1 189 . 1 . 1 47 47 LEU CB C 13 40.830 0.05 . . . . . . . 47 LEU CB . 50369 1 190 . 1 . 1 47 47 LEU N N 15 120.766 0.05 . . . . . . . 47 LEU N . 50369 1 191 . 1 . 1 48 48 ARG H H 1 7.618 0.01 . . . . . . . 48 ARG H . 50369 1 192 . 1 . 1 48 48 ARG C C 13 177.410 0.05 . . . . . . . 48 ARG C . 50369 1 193 . 1 . 1 48 48 ARG CA C 13 56.747 0.05 . . . . . . . 48 ARG CA . 50369 1 194 . 1 . 1 48 48 ARG CB C 13 30.250 0.05 . . . . . . . 48 ARG CB . 50369 1 195 . 1 . 1 48 48 ARG N N 15 115.797 0.05 . . . . . . . 48 ARG N . 50369 1 196 . 1 . 1 49 49 GLY H H 1 7.594 0.01 . . . . . . . 49 GLY H . 50369 1 197 . 1 . 1 49 49 GLY C C 13 175.631 0.05 . . . . . . . 49 GLY C . 50369 1 198 . 1 . 1 49 49 GLY CA C 13 46.281 0.05 . . . . . . . 49 GLY CA . 50369 1 199 . 1 . 1 49 49 GLY N N 15 108.133 0.05 . . . . . . . 49 GLY N . 50369 1 200 . 1 . 1 50 50 THR H H 1 7.296 0.01 . . . . . . . 50 THR H . 50369 1 201 . 1 . 1 50 50 THR C C 13 174.057 0.05 . . . . . . . 50 THR C . 50369 1 202 . 1 . 1 50 50 THR CA C 13 60.217 0.05 . . . . . . . 50 THR CA . 50369 1 203 . 1 . 1 50 50 THR CB C 13 69.804 0.05 . . . . . . . 50 THR CB . 50369 1 204 . 1 . 1 50 50 THR N N 15 109.255 0.05 . . . . . . . 50 THR N . 50369 1 205 . 1 . 1 51 51 GLU H H 1 8.751 0.01 . . . . . . . 51 GLU H . 50369 1 206 . 1 . 1 51 51 GLU C C 13 179.543 0.05 . . . . . . . 51 GLU C . 50369 1 207 . 1 . 1 51 51 GLU CA C 13 59.834 0.05 . . . . . . . 51 GLU CA . 50369 1 208 . 1 . 1 51 51 GLU CB C 13 28.245 0.05 . . . . . . . 51 GLU CB . 50369 1 209 . 1 . 1 51 51 GLU N N 15 121.568 0.05 . . . . . . . 51 GLU N . 50369 1 210 . 1 . 1 52 52 ILE H H 1 8.039 0.01 . . . . . . . 52 ILE H . 50369 1 211 . 1 . 1 52 52 ILE C C 13 176.440 0.05 . . . . . . . 52 ILE C . 50369 1 212 . 1 . 1 52 52 ILE CA C 13 61.598 0.05 . . . . . . . 52 ILE CA . 50369 1 213 . 1 . 1 52 52 ILE CB C 13 36.612 0.05 . . . . . . . 52 ILE CB . 50369 1 214 . 1 . 1 52 52 ILE N N 15 117.482 0.05 . . . . . . . 52 ILE N . 50369 1 215 . 1 . 1 53 53 GLY H H 1 7.818 0.01 . . . . . . . 53 GLY H . 50369 1 216 . 1 . 1 53 53 GLY C C 13 175.469 0.05 . . . . . . . 53 GLY C . 50369 1 217 . 1 . 1 53 53 GLY CA C 13 46.134 0.05 . . . . . . . 53 GLY CA . 50369 1 218 . 1 . 1 53 53 GLY N N 15 111.791 0.05 . . . . . . . 53 GLY N . 50369 1 219 . 1 . 1 54 54 VAL H H 1 8.378 0.01 . . . . . . . 54 VAL H . 50369 1 220 . 1 . 1 54 54 VAL C C 13 178.837 0.05 . . . . . . . 54 VAL C . 50369 1 221 . 1 . 1 54 54 VAL CA C 13 65.685 0.05 . . . . . . . 54 VAL CA . 50369 1 222 . 1 . 1 54 54 VAL N N 15 121.795 0.05 . . . . . . . 54 VAL N . 50369 1 223 . 1 . 1 55 55 LEU H H 1 7.234 0.01 . . . . . . . 55 LEU H . 50369 1 224 . 1 . 1 55 55 LEU C C 13 178.631 0.05 . . . . . . . 55 LEU C . 50369 1 225 . 1 . 1 55 55 LEU CA C 13 57.218 0.05 . . . . . . . 55 LEU CA . 50369 1 226 . 1 . 1 55 55 LEU CB C 13 40.830 0.05 . . . . . . . 55 LEU CB . 50369 1 227 . 1 . 1 55 55 LEU N N 15 122.453 0.05 . . . . . . . 55 LEU N . 50369 1 228 . 1 . 1 56 56 ALA H H 1 8.261 0.01 . . . . . . . 56 ALA H . 50369 1 229 . 1 . 1 56 56 ALA C C 13 179.117 0.05 . . . . . . . 56 ALA C . 50369 1 230 . 1 . 1 56 56 ALA CA C 13 55.130 0.05 . . . . . . . 56 ALA CA . 50369 1 231 . 1 . 1 56 56 ALA CB C 13 17.388 0.05 . . . . . . . 56 ALA CB . 50369 1 232 . 1 . 1 56 56 ALA N N 15 119.710 0.05 . . . . . . . 56 ALA N . 50369 1 233 . 1 . 1 57 57 LYS H H 1 8.158 0.01 . . . . . . . 57 LYS H . 50369 1 234 . 1 . 1 57 57 LYS C C 13 176.748 0.05 . . . . . . . 57 LYS C . 50369 1 235 . 1 . 1 57 57 LYS CA C 13 58.541 0.05 . . . . . . . 57 LYS CA . 50369 1 236 . 1 . 1 57 57 LYS CB C 13 31.979 0.05 . . . . . . . 57 LYS CB . 50369 1 237 . 1 . 1 57 57 LYS N N 15 117.646 0.05 . . . . . . . 57 LYS N . 50369 1 238 . 1 . 1 58 58 ALA H H 1 7.397 0.01 . . . . . . . 58 ALA H . 50369 1 239 . 1 . 1 58 58 ALA C C 13 180.941 0.05 . . . . . . . 58 ALA C . 50369 1 240 . 1 . 1 58 58 ALA CA C 13 54.366 0.05 . . . . . . . 58 ALA CA . 50369 1 241 . 1 . 1 58 58 ALA CB C 13 16.628 0.05 . . . . . . . 58 ALA CB . 50369 1 242 . 1 . 1 58 58 ALA N N 15 119.991 0.05 . . . . . . . 58 ALA N . 50369 1 243 . 1 . 1 59 59 PHE H H 1 7.328 0.01 . . . . . . . 59 PHE H . 50369 1 244 . 1 . 1 59 59 PHE C C 13 178.028 0.05 . . . . . . . 59 PHE C . 50369 1 245 . 1 . 1 59 59 PHE CA C 13 62.245 0.05 . . . . . . . 59 PHE CA . 50369 1 246 . 1 . 1 59 59 PHE CB C 13 37.442 0.05 . . . . . . . 59 PHE CB . 50369 1 247 . 1 . 1 59 59 PHE N N 15 115.296 0.05 . . . . . . . 59 PHE N . 50369 1 248 . 1 . 1 60 60 ILE H H 1 7.616 0.01 . . . . . . . 60 ILE H . 50369 1 249 . 1 . 1 60 60 ILE C C 13 181.191 0.05 . . . . . . . 60 ILE C . 50369 1 250 . 1 . 1 60 60 ILE CA C 13 63.686 0.05 . . . . . . . 60 ILE CA . 50369 1 251 . 1 . 1 60 60 ILE CB C 13 36.474 0.05 . . . . . . . 60 ILE CB . 50369 1 252 . 1 . 1 60 60 ILE N N 15 120.500 0.05 . . . . . . . 60 ILE N . 50369 1 253 . 1 . 1 61 61 ASP H H 1 9.092 0.01 . . . . . . . 61 ASP H . 50369 1 254 . 1 . 1 61 61 ASP C C 13 177.896 0.05 . . . . . . . 61 ASP C . 50369 1 255 . 1 . 1 61 61 ASP CA C 13 56.571 0.05 . . . . . . . 61 ASP CA . 50369 1 256 . 1 . 1 61 61 ASP CB C 13 39.240 0.05 . . . . . . . 61 ASP CB . 50369 1 257 . 1 . 1 61 61 ASP N N 15 122.393 0.05 . . . . . . . 61 ASP N . 50369 1 258 . 1 . 1 62 62 GLN H H 1 7.255 0.01 . . . . . . . 62 GLN H . 50369 1 259 . 1 . 1 62 62 GLN C C 13 176.101 0.05 . . . . . . . 62 GLN C . 50369 1 260 . 1 . 1 62 62 GLN CA C 13 54.925 0.05 . . . . . . . 62 GLN CA . 50369 1 261 . 1 . 1 62 62 GLN CB C 13 29.282 0.05 . . . . . . . 62 GLN CB . 50369 1 262 . 1 . 1 62 62 GLN N N 15 116.281 0.05 . . . . . . . 62 GLN N . 50369 1 263 . 1 . 1 63 63 GLY H H 1 8.093 0.01 . . . . . . . 63 GLY H . 50369 1 264 . 1 . 1 63 63 GLY C C 13 174.454 0.05 . . . . . . . 63 GLY C . 50369 1 265 . 1 . 1 63 63 GLY CA C 13 45.664 0.05 . . . . . . . 63 GLY CA . 50369 1 266 . 1 . 1 63 63 GLY N N 15 109.818 0.05 . . . . . . . 63 GLY N . 50369 1 267 . 1 . 1 64 64 LYS H H 1 7.962 0.01 . . . . . . . 64 LYS H . 50369 1 268 . 1 . 1 64 64 LYS C C 13 175.778 0.05 . . . . . . . 64 LYS C . 50369 1 269 . 1 . 1 64 64 LYS CA C 13 53.984 0.05 . . . . . . . 64 LYS CA . 50369 1 270 . 1 . 1 64 64 LYS CB C 13 34.745 0.05 . . . . . . . 64 LYS CB . 50369 1 271 . 1 . 1 64 64 LYS N N 15 119.710 0.05 . . . . . . . 64 LYS N . 50369 1 272 . 1 . 1 65 65 LEU H H 1 7.863 0.01 . . . . . . . 65 LEU H . 50369 1 273 . 1 . 1 65 65 LEU C C 13 177.263 0.05 . . . . . . . 65 LEU C . 50369 1 274 . 1 . 1 65 65 LEU CA C 13 53.719 0.05 . . . . . . . 65 LEU CA . 50369 1 275 . 1 . 1 65 65 LEU CB C 13 40.761 0.05 . . . . . . . 65 LEU CB . 50369 1 276 . 1 . 1 65 65 LEU N N 15 120.163 0.05 . . . . . . . 65 LEU N . 50369 1 277 . 1 . 1 66 66 ILE H H 1 8.153 0.01 . . . . . . . 66 ILE H . 50369 1 278 . 1 . 1 66 66 ILE C C 13 174.498 0.05 . . . . . . . 66 ILE C . 50369 1 279 . 1 . 1 66 66 ILE CA C 13 58.600 0.05 . . . . . . . 66 ILE CA . 50369 1 280 . 1 . 1 66 66 ILE CB C 13 37.027 0.05 . . . . . . . 66 ILE CB . 50369 1 281 . 1 . 1 66 66 ILE N N 15 122.833 0.05 . . . . . . . 66 ILE N . 50369 1 282 . 1 . 1 70 70 VAL H H 1 7.014 0.01 . . . . . . . 70 VAL H . 50369 1 283 . 1 . 1 70 70 VAL C C 13 176.999 0.05 . . . . . . . 70 VAL C . 50369 1 284 . 1 . 1 70 70 VAL CA C 13 65.450 0.05 . . . . . . . 70 VAL CA . 50369 1 285 . 1 . 1 70 70 VAL CB C 13 30.181 0.05 . . . . . . . 70 VAL CB . 50369 1 286 . 1 . 1 70 70 VAL N N 15 122.217 0.05 . . . . . . . 70 VAL N . 50369 1 287 . 1 . 1 71 71 MET H H 1 7.404 0.01 . . . . . . . 71 MET H . 50369 1 288 . 1 . 1 71 71 MET C C 13 178.175 0.05 . . . . . . . 71 MET C . 50369 1 289 . 1 . 1 71 71 MET CA C 13 56.159 0.05 . . . . . . . 71 MET CA . 50369 1 290 . 1 . 1 71 71 MET CB C 13 29.490 0.05 . . . . . . . 71 MET CB . 50369 1 291 . 1 . 1 71 71 MET N N 15 118.108 0.05 . . . . . . . 71 MET N . 50369 1 292 . 1 . 1 72 72 THR H H 1 8.327 0.01 . . . . . . . 72 THR H . 50369 1 293 . 1 . 1 72 72 THR C C 13 175.204 0.05 . . . . . . . 72 THR C . 50369 1 294 . 1 . 1 72 72 THR CA C 13 66.214 0.05 . . . . . . . 72 THR CA . 50369 1 295 . 1 . 1 72 72 THR CB C 13 67.522 0.05 . . . . . . . 72 THR CB . 50369 1 296 . 1 . 1 72 72 THR N N 15 116.786 0.05 . . . . . . . 72 THR N . 50369 1 297 . 1 . 1 73 73 ARG H H 1 7.394 0.01 . . . . . . . 73 ARG H . 50369 1 298 . 1 . 1 73 73 ARG C C 13 178.955 0.05 . . . . . . . 73 ARG C . 50369 1 299 . 1 . 1 73 73 ARG CA C 13 59.364 0.05 . . . . . . . 73 ARG CA . 50369 1 300 . 1 . 1 73 73 ARG CB C 13 29.420 0.05 . . . . . . . 73 ARG CB . 50369 1 301 . 1 . 1 73 73 ARG N N 15 119.856 0.05 . . . . . . . 73 ARG N . 50369 1 302 . 1 . 1 74 74 LEU H H 1 8.076 0.01 . . . . . . . 74 LEU H . 50369 1 303 . 1 . 1 74 74 LEU C C 13 177.866 0.05 . . . . . . . 74 LEU C . 50369 1 304 . 1 . 1 74 74 LEU CA C 13 58.159 0.05 . . . . . . . 74 LEU CA . 50369 1 305 . 1 . 1 74 74 LEU CB C 13 40.761 0.05 . . . . . . . 74 LEU CB . 50369 1 306 . 1 . 1 74 74 LEU N N 15 120.603 0.05 . . . . . . . 74 LEU N . 50369 1 307 . 1 . 1 75 75 ALA H H 1 8.112 0.01 . . . . . . . 75 ALA H . 50369 1 308 . 1 . 1 75 75 ALA C C 13 178.999 0.05 . . . . . . . 75 ALA C . 50369 1 309 . 1 . 1 75 75 ALA CA C 13 54.807 0.05 . . . . . . . 75 ALA CA . 50369 1 310 . 1 . 1 75 75 ALA CB C 13 15.245 0.05 . . . . . . . 75 ALA CB . 50369 1 311 . 1 . 1 75 75 ALA N N 15 120.642 0.05 . . . . . . . 75 ALA N . 50369 1 312 . 1 . 1 76 76 LEU H H 1 8.249 0.01 . . . . . . . 76 LEU H . 50369 1 313 . 1 . 1 76 76 LEU C C 13 179.837 0.05 . . . . . . . 76 LEU C . 50369 1 314 . 1 . 1 76 76 LEU CA C 13 57.718 0.05 . . . . . . . 76 LEU CA . 50369 1 315 . 1 . 1 76 76 LEU CB C 13 38.963 0.05 . . . . . . . 76 LEU CB . 50369 1 316 . 1 . 1 76 76 LEU N N 15 114.603 0.05 . . . . . . . 76 LEU N . 50369 1 317 . 1 . 1 77 77 HIS H H 1 7.853 0.01 . . . . . . . 77 HIS H . 50369 1 318 . 1 . 1 77 77 HIS C C 13 177.410 0.05 . . . . . . . 77 HIS C . 50369 1 319 . 1 . 1 77 77 HIS CA C 13 59.658 0.05 . . . . . . . 77 HIS CA . 50369 1 320 . 1 . 1 77 77 HIS CB C 13 29.766 0.05 . . . . . . . 77 HIS CB . 50369 1 321 . 1 . 1 77 77 HIS N N 15 119.597 0.05 . . . . . . . 77 HIS N . 50369 1 322 . 1 . 1 78 78 GLU H H 1 7.567 0.01 . . . . . . . 78 GLU H . 50369 1 323 . 1 . 1 78 78 GLU C C 13 179.882 0.05 . . . . . . . 78 GLU C . 50369 1 324 . 1 . 1 78 78 GLU CA C 13 57.365 0.05 . . . . . . . 78 GLU CA . 50369 1 325 . 1 . 1 78 78 GLU CB C 13 28.245 0.05 . . . . . . . 78 GLU CB . 50369 1 326 . 1 . 1 78 78 GLU N N 15 117.623 0.05 . . . . . . . 78 GLU N . 50369 1 327 . 1 . 1 79 79 LEU H H 1 8.133 0.01 . . . . . . . 79 LEU H . 50369 1 328 . 1 . 1 79 79 LEU C C 13 179.381 0.05 . . . . . . . 79 LEU C . 50369 1 329 . 1 . 1 79 79 LEU CA C 13 56.953 0.05 . . . . . . . 79 LEU CA . 50369 1 330 . 1 . 1 79 79 LEU CB C 13 39.862 0.05 . . . . . . . 79 LEU CB . 50369 1 331 . 1 . 1 79 79 LEU N N 15 118.413 0.05 . . . . . . . 79 LEU N . 50369 1 332 . 1 . 1 80 80 LYS H H 1 7.092 0.01 . . . . . . . 80 LYS H . 50369 1 333 . 1 . 1 80 80 LYS C C 13 177.690 0.05 . . . . . . . 80 LYS C . 50369 1 334 . 1 . 1 80 80 LYS CA C 13 58.394 0.05 . . . . . . . 80 LYS CA . 50369 1 335 . 1 . 1 80 80 LYS CB C 13 31.011 0.05 . . . . . . . 80 LYS CB . 50369 1 336 . 1 . 1 80 80 LYS N N 15 118.819 0.05 . . . . . . . 80 LYS N . 50369 1 337 . 1 . 1 81 81 ASN H H 1 7.246 0.01 . . . . . . . 81 ASN H . 50369 1 338 . 1 . 1 81 81 ASN C C 13 175.660 0.05 . . . . . . . 81 ASN C . 50369 1 339 . 1 . 1 81 81 ASN CA C 13 53.161 0.05 . . . . . . . 81 ASN CA . 50369 1 340 . 1 . 1 81 81 ASN CB C 13 38.479 0.05 . . . . . . . 81 ASN CB . 50369 1 341 . 1 . 1 81 81 ASN N N 15 114.303 0.05 . . . . . . . 81 ASN N . 50369 1 342 . 1 . 1 82 82 LEU H H 1 7.694 0.01 . . . . . . . 82 LEU H . 50369 1 343 . 1 . 1 82 82 LEU C C 13 177.616 0.05 . . . . . . . 82 LEU C . 50369 1 344 . 1 . 1 82 82 LEU CA C 13 53.807 0.05 . . . . . . . 82 LEU CA . 50369 1 345 . 1 . 1 82 82 LEU CB C 13 42.352 0.05 . . . . . . . 82 LEU CB . 50369 1 346 . 1 . 1 82 82 LEU N N 15 120.371 0.05 . . . . . . . 82 LEU N . 50369 1 347 . 1 . 1 83 83 THR H H 1 7.432 0.01 . . . . . . . 83 THR H . 50369 1 348 . 1 . 1 83 83 THR C C 13 175.748 0.05 . . . . . . . 83 THR C . 50369 1 349 . 1 . 1 83 83 THR CA C 13 64.333 0.05 . . . . . . . 83 THR CA . 50369 1 350 . 1 . 1 83 83 THR CB C 13 68.559 0.05 . . . . . . . 83 THR CB . 50369 1 351 . 1 . 1 83 83 THR N N 15 111.804 0.05 . . . . . . . 83 THR N . 50369 1 352 . 1 . 1 84 84 GLN H H 1 8.949 0.01 . . . . . . . 84 GLN H . 50369 1 353 . 1 . 1 84 84 GLN C C 13 174.263 0.05 . . . . . . . 84 GLN C . 50369 1 354 . 1 . 1 84 84 GLN CA C 13 55.277 0.05 . . . . . . . 84 GLN CA . 50369 1 355 . 1 . 1 84 84 GLN CB C 13 27.069 0.05 . . . . . . . 84 GLN CB . 50369 1 356 . 1 . 1 84 84 GLN N N 15 119.355 0.05 . . . . . . . 84 GLN N . 50369 1 357 . 1 . 1 85 85 TYR H H 1 7.697 0.01 . . . . . . . 85 TYR H . 50369 1 358 . 1 . 1 85 85 TYR C C 13 175.748 0.05 . . . . . . . 85 TYR C . 50369 1 359 . 1 . 1 85 85 TYR CA C 13 56.248 0.05 . . . . . . . 85 TYR CA . 50369 1 360 . 1 . 1 85 85 TYR CB C 13 40.623 0.05 . . . . . . . 85 TYR CB . 50369 1 361 . 1 . 1 85 85 TYR N N 15 119.490 0.05 . . . . . . . 85 TYR N . 50369 1 362 . 1 . 1 86 86 SER H H 1 8.663 0.01 . . . . . . . 86 SER H . 50369 1 363 . 1 . 1 86 86 SER C C 13 174.292 0.05 . . . . . . . 86 SER C . 50369 1 364 . 1 . 1 86 86 SER CA C 13 59.423 0.05 . . . . . . . 86 SER CA . 50369 1 365 . 1 . 1 86 86 SER CB C 13 63.245 0.05 . . . . . . . 86 SER CB . 50369 1 366 . 1 . 1 86 86 SER N N 15 118.402 0.05 . . . . . . . 86 SER N . 50369 1 367 . 1 . 1 87 87 TRP H H 1 8.412 0.01 . . . . . . . 87 TRP H . 50369 1 368 . 1 . 1 87 87 TRP C C 13 173.998 0.05 . . . . . . . 87 TRP C . 50369 1 369 . 1 . 1 87 87 TRP CA C 13 54.307 0.05 . . . . . . . 87 TRP CA . 50369 1 370 . 1 . 1 87 87 TRP CB C 13 34.053 0.05 . . . . . . . 87 TRP CB . 50369 1 371 . 1 . 1 87 87 TRP N N 15 120.753 0.05 . . . . . . . 87 TRP N . 50369 1 372 . 1 . 1 88 88 LEU H H 1 8.609 0.01 . . . . . . . 88 LEU H . 50369 1 373 . 1 . 1 88 88 LEU CA C 13 52.720 0.05 . . . . . . . 88 LEU CA . 50369 1 374 . 1 . 1 88 88 LEU CB C 13 45.048 0.05 . . . . . . . 88 LEU CB . 50369 1 375 . 1 . 1 88 88 LEU N N 15 121.381 0.05 . . . . . . . 88 LEU N . 50369 1 376 . 1 . 1 89 89 LEU H H 1 9.522 0.01 . . . . . . . 89 LEU H . 50369 1 377 . 1 . 1 89 89 LEU C C 13 176.351 0.05 . . . . . . . 89 LEU C . 50369 1 378 . 1 . 1 89 89 LEU CA C 13 55.042 0.05 . . . . . . . 89 LEU CA . 50369 1 379 . 1 . 1 89 89 LEU CB C 13 42.697 0.05 . . . . . . . 89 LEU CB . 50369 1 380 . 1 . 1 89 89 LEU N N 15 129.631 0.05 . . . . . . . 89 LEU N . 50369 1 381 . 1 . 1 90 90 ASP H H 1 8.292 0.01 . . . . . . . 90 ASP H . 50369 1 382 . 1 . 1 90 90 ASP C C 13 176.013 0.05 . . . . . . . 90 ASP C . 50369 1 383 . 1 . 1 90 90 ASP CA C 13 52.573 0.05 . . . . . . . 90 ASP CA . 50369 1 384 . 1 . 1 90 90 ASP CB C 13 43.312 0.05 . . . . . . . 90 ASP CB . 50369 1 385 . 1 . 1 90 90 ASP N N 15 121.455 0.05 . . . . . . . 90 ASP N . 50369 1 386 . 1 . 1 91 91 GLY H H 1 9.151 0.01 . . . . . . . 91 GLY H . 50369 1 387 . 1 . 1 91 91 GLY CA C 13 44.223 0.05 . . . . . . . 91 GLY CA . 50369 1 388 . 1 . 1 91 91 GLY N N 15 115.314 0.05 . . . . . . . 91 GLY N . 50369 1 389 . 1 . 1 92 92 PHE H H 1 7.328 0.01 . . . . . . . 92 PHE H . 50369 1 390 . 1 . 1 92 92 PHE C C 13 171.335 0.05 . . . . . . . 92 PHE C . 50369 1 391 . 1 . 1 92 92 PHE CA C 13 54.572 0.05 . . . . . . . 92 PHE CA . 50369 1 392 . 1 . 1 92 92 PHE CB C 13 41.798 0.05 . . . . . . . 92 PHE CB . 50369 1 393 . 1 . 1 92 92 PHE N N 15 121.070 0.05 . . . . . . . 92 PHE N . 50369 1 394 . 1 . 1 94 94 ARG H H 1 8.614 0.01 . . . . . . . 94 ARG H . 50369 1 395 . 1 . 1 94 94 ARG C C 13 174.851 0.05 . . . . . . . 94 ARG C . 50369 1 396 . 1 . 1 94 94 ARG CA C 13 55.748 0.05 . . . . . . . 94 ARG CA . 50369 1 397 . 1 . 1 94 94 ARG CB C 13 31.426 0.05 . . . . . . . 94 ARG CB . 50369 1 398 . 1 . 1 94 94 ARG N N 15 118.261 0.05 . . . . . . . 94 ARG N . 50369 1 399 . 1 . 1 95 95 THR H H 1 6.940 0.01 . . . . . . . 95 THR H . 50369 1 400 . 1 . 1 95 95 THR C C 13 175.072 0.05 . . . . . . . 95 THR C . 50369 1 401 . 1 . 1 95 95 THR CA C 13 57.600 0.05 . . . . . . . 95 THR CA . 50369 1 402 . 1 . 1 95 95 THR CB C 13 71.325 0.05 . . . . . . . 95 THR CB . 50369 1 403 . 1 . 1 95 95 THR N N 15 105.203 0.05 . . . . . . . 95 THR N . 50369 1 404 . 1 . 1 96 96 LEU H H 1 9.077 0.01 . . . . . . . 96 LEU H . 50369 1 405 . 1 . 1 96 96 LEU C C 13 174.571 0.05 . . . . . . . 96 LEU C . 50369 1 406 . 1 . 1 96 96 LEU CA C 13 58.717 0.05 . . . . . . . 96 LEU CA . 50369 1 407 . 1 . 1 96 96 LEU CB C 13 38.272 0.05 . . . . . . . 96 LEU CB . 50369 1 408 . 1 . 1 96 96 LEU N N 15 122.317 0.05 . . . . . . . 96 LEU N . 50369 1 409 . 1 . 1 98 98 GLN H H 1 6.804 0.01 . . . . . . . 98 GLN H . 50369 1 410 . 1 . 1 98 98 GLN C C 13 176.807 0.05 . . . . . . . 98 GLN C . 50369 1 411 . 1 . 1 98 98 GLN CA C 13 58.217 0.05 . . . . . . . 98 GLN CA . 50369 1 412 . 1 . 1 98 98 GLN CB C 13 27.415 0.05 . . . . . . . 98 GLN CB . 50369 1 413 . 1 . 1 98 98 GLN N N 15 115.319 0.05 . . . . . . . 98 GLN N . 50369 1 414 . 1 . 1 99 99 ALA H H 1 7.800 0.01 . . . . . . . 99 ALA H . 50369 1 415 . 1 . 1 99 99 ALA C C 13 180.676 0.05 . . . . . . . 99 ALA C . 50369 1 416 . 1 . 1 99 99 ALA CA C 13 54.454 0.05 . . . . . . . 99 ALA CA . 50369 1 417 . 1 . 1 99 99 ALA CB C 13 16.697 0.05 . . . . . . . 99 ALA CB . 50369 1 418 . 1 . 1 99 99 ALA N N 15 123.871 0.05 . . . . . . . 99 ALA N . 50369 1 419 . 1 . 1 100 100 GLU H H 1 8.228 0.01 . . . . . . . 100 GLU H . 50369 1 420 . 1 . 1 100 100 GLU C C 13 179.161 0.05 . . . . . . . 100 GLU C . 50369 1 421 . 1 . 1 100 100 GLU CA C 13 59.070 0.05 . . . . . . . 100 GLU CA . 50369 1 422 . 1 . 1 100 100 GLU CB C 13 28.936 0.05 . . . . . . . 100 GLU CB . 50369 1 423 . 1 . 1 100 100 GLU N N 15 118.571 0.05 . . . . . . . 100 GLU N . 50369 1 424 . 1 . 1 101 101 ALA H H 1 7.696 0.01 . . . . . . . 101 ALA H . 50369 1 425 . 1 . 1 101 101 ALA C C 13 181.000 0.05 . . . . . . . 101 ALA C . 50369 1 426 . 1 . 1 101 101 ALA CA C 13 54.484 0.05 . . . . . . . 101 ALA CA . 50369 1 427 . 1 . 1 101 101 ALA CB C 13 17.665 0.05 . . . . . . . 101 ALA CB . 50369 1 428 . 1 . 1 101 101 ALA N N 15 121.718 0.05 . . . . . . . 101 ALA N . 50369 1 429 . 1 . 1 102 102 LEU H H 1 8.341 0.01 . . . . . . . 102 LEU H . 50369 1 430 . 1 . 1 102 102 LEU C C 13 177.513 0.05 . . . . . . . 102 LEU C . 50369 1 431 . 1 . 1 102 102 LEU CA C 13 57.776 0.05 . . . . . . . 102 LEU CA . 50369 1 432 . 1 . 1 102 102 LEU CB C 13 40.623 0.05 . . . . . . . 102 LEU CB . 50369 1 433 . 1 . 1 102 102 LEU N N 15 119.940 0.05 . . . . . . . 102 LEU N . 50369 1 434 . 1 . 1 103 103 ASP H H 1 7.501 0.01 . . . . . . . 103 ASP H . 50369 1 435 . 1 . 1 103 103 ASP C C 13 178.058 0.05 . . . . . . . 103 ASP C . 50369 1 436 . 1 . 1 103 103 ASP CA C 13 55.983 0.05 . . . . . . . 103 ASP CA . 50369 1 437 . 1 . 1 103 103 ASP CB C 13 40.843 0.05 . . . . . . . 103 ASP CB . 50369 1 438 . 1 . 1 103 103 ASP N N 15 118.041 0.05 . . . . . . . 103 ASP N . 50369 1 439 . 1 . 1 104 104 ARG H H 1 7.306 0.01 . . . . . . . 104 ARG H . 50369 1 440 . 1 . 1 104 104 ARG C C 13 176.690 0.05 . . . . . . . 104 ARG C . 50369 1 441 . 1 . 1 104 104 ARG CA C 13 57.659 0.05 . . . . . . . 104 ARG CA . 50369 1 442 . 1 . 1 104 104 ARG CB C 13 29.282 0.05 . . . . . . . 104 ARG CB . 50369 1 443 . 1 . 1 104 104 ARG N N 15 116.191 0.05 . . . . . . . 104 ARG N . 50369 1 444 . 1 . 1 105 105 ALA H H 1 7.293 0.01 . . . . . . . 105 ALA H . 50369 1 445 . 1 . 1 105 105 ALA C C 13 176.807 0.05 . . . . . . . 105 ALA C . 50369 1 446 . 1 . 1 105 105 ALA CA C 13 53.249 0.05 . . . . . . . 105 ALA CA . 50369 1 447 . 1 . 1 105 105 ALA CB C 13 20.984 0.05 . . . . . . . 105 ALA CB . 50369 1 448 . 1 . 1 105 105 ALA N N 15 121.233 0.05 . . . . . . . 105 ALA N . 50369 1 449 . 1 . 1 106 106 TYR H H 1 8.654 0.01 . . . . . . . 106 TYR H . 50369 1 450 . 1 . 1 106 106 TYR C C 13 172.630 0.05 . . . . . . . 106 TYR C . 50369 1 451 . 1 . 1 106 106 TYR CA C 13 56.718 0.05 . . . . . . . 106 TYR CA . 50369 1 452 . 1 . 1 106 106 TYR CB C 13 40.899 0.05 . . . . . . . 106 TYR CB . 50369 1 453 . 1 . 1 106 106 TYR N N 15 116.374 0.05 . . . . . . . 106 TYR N . 50369 1 454 . 1 . 1 107 107 GLN H H 1 7.983 0.01 . . . . . . . 107 GLN H . 50369 1 455 . 1 . 1 107 107 GLN C C 13 175.542 0.05 . . . . . . . 107 GLN C . 50369 1 456 . 1 . 1 107 107 GLN CA C 13 56.483 0.05 . . . . . . . 107 GLN CA . 50369 1 457 . 1 . 1 107 107 GLN CB C 13 27.484 0.05 . . . . . . . 107 GLN CB . 50369 1 458 . 1 . 1 107 107 GLN N N 15 119.112 0.05 . . . . . . . 107 GLN N . 50369 1 459 . 1 . 1 108 108 ILE H H 1 8.186 0.01 . . . . . . . 108 ILE H . 50369 1 460 . 1 . 1 108 108 ILE C C 13 176.910 0.05 . . . . . . . 108 ILE C . 50369 1 461 . 1 . 1 108 108 ILE CA C 13 58.570 0.05 . . . . . . . 108 ILE CA . 50369 1 462 . 1 . 1 108 108 ILE CB C 13 35.160 0.05 . . . . . . . 108 ILE CB . 50369 1 463 . 1 . 1 108 108 ILE N N 15 126.579 0.05 . . . . . . . 108 ILE N . 50369 1 464 . 1 . 1 109 109 ASP H H 1 8.625 0.01 . . . . . . . 109 ASP H . 50369 1 465 . 1 . 1 109 109 ASP C C 13 176.042 0.05 . . . . . . . 109 ASP C . 50369 1 466 . 1 . 1 109 109 ASP CA C 13 55.219 0.05 . . . . . . . 109 ASP CA . 50369 1 467 . 1 . 1 109 109 ASP CB C 13 43.250 0.05 . . . . . . . 109 ASP CB . 50369 1 468 . 1 . 1 109 109 ASP N N 15 124.879 0.05 . . . . . . . 109 ASP N . 50369 1 469 . 1 . 1 110 110 THR H H 1 7.148 0.01 . . . . . . . 110 THR H . 50369 1 470 . 1 . 1 110 110 THR C C 13 170.850 0.05 . . . . . . . 110 THR C . 50369 1 471 . 1 . 1 110 110 THR CA C 13 61.922 0.05 . . . . . . . 110 THR CA . 50369 1 472 . 1 . 1 110 110 THR CB C 13 71.256 0.05 . . . . . . . 110 THR CB . 50369 1 473 . 1 . 1 110 110 THR N N 15 114.355 0.05 . . . . . . . 110 THR N . 50369 1 474 . 1 . 1 111 111 VAL H H 1 8.074 0.01 . . . . . . . 111 VAL H . 50369 1 475 . 1 . 1 111 111 VAL C C 13 173.718 0.05 . . . . . . . 111 VAL C . 50369 1 476 . 1 . 1 111 111 VAL CA C 13 60.246 0.05 . . . . . . . 111 VAL CA . 50369 1 477 . 1 . 1 111 111 VAL CB C 13 32.463 0.05 . . . . . . . 111 VAL CB . 50369 1 478 . 1 . 1 111 111 VAL N N 15 127.623 0.05 . . . . . . . 111 VAL N . 50369 1 479 . 1 . 1 112 112 ILE H H 1 8.911 0.01 . . . . . . . 112 ILE H . 50369 1 480 . 1 . 1 112 112 ILE C C 13 177.013 0.05 . . . . . . . 112 ILE C . 50369 1 481 . 1 . 1 112 112 ILE CA C 13 59.482 0.05 . . . . . . . 112 ILE CA . 50369 1 482 . 1 . 1 112 112 ILE CB C 13 39.171 0.05 . . . . . . . 112 ILE CB . 50369 1 483 . 1 . 1 112 112 ILE N N 15 127.432 0.05 . . . . . . . 112 ILE N . 50369 1 484 . 1 . 1 113 113 ASN H H 1 8.907 0.01 . . . . . . . 113 ASN H . 50369 1 485 . 1 . 1 113 113 ASN C C 13 173.630 0.05 . . . . . . . 113 ASN C . 50369 1 486 . 1 . 1 113 113 ASN CA C 13 51.103 0.05 . . . . . . . 113 ASN CA . 50369 1 487 . 1 . 1 113 113 ASN CB C 13 41.453 0.05 . . . . . . . 113 ASN CB . 50369 1 488 . 1 . 1 113 113 ASN N N 15 125.388 0.05 . . . . . . . 113 ASN N . 50369 1 489 . 1 . 1 114 114 LEU H H 1 8.046 0.01 . . . . . . . 114 LEU H . 50369 1 490 . 1 . 1 114 114 LEU C C 13 174.380 0.05 . . . . . . . 114 LEU C . 50369 1 491 . 1 . 1 114 114 LEU CA C 13 53.190 0.05 . . . . . . . 114 LEU CA . 50369 1 492 . 1 . 1 114 114 LEU CB C 13 40.519 0.05 . . . . . . . 114 LEU CB . 50369 1 493 . 1 . 1 114 114 LEU N N 15 127.267 0.05 . . . . . . . 114 LEU N . 50369 1 494 . 1 . 1 115 115 ASN H H 1 8.877 0.01 . . . . . . . 115 ASN H . 50369 1 495 . 1 . 1 115 115 ASN C C 13 172.821 0.05 . . . . . . . 115 ASN C . 50369 1 496 . 1 . 1 115 115 ASN CA C 13 52.043 0.05 . . . . . . . 115 ASN CA . 50369 1 497 . 1 . 1 115 115 ASN CB C 13 38.894 0.05 . . . . . . . 115 ASN CB . 50369 1 498 . 1 . 1 115 115 ASN N N 15 124.620 0.05 . . . . . . . 115 ASN N . 50369 1 499 . 1 . 1 116 116 VAL H H 1 7.249 0.01 . . . . . . . 116 VAL H . 50369 1 500 . 1 . 1 116 116 VAL C C 13 173.939 0.05 . . . . . . . 116 VAL C . 50369 1 501 . 1 . 1 116 116 VAL CA C 13 57.659 0.05 . . . . . . . 116 VAL CA . 50369 1 502 . 1 . 1 116 116 VAL CB C 13 34.883 0.05 . . . . . . . 116 VAL CB . 50369 1 503 . 1 . 1 116 116 VAL N N 15 128.322 0.05 . . . . . . . 116 VAL N . 50369 1 504 . 1 . 1 118 118 PHE H H 1 8.880 0.01 . . . . . . . 118 PHE H . 50369 1 505 . 1 . 1 118 118 PHE C C 13 176.999 0.05 . . . . . . . 118 PHE C . 50369 1 506 . 1 . 1 118 118 PHE CA C 13 60.217 0.05 . . . . . . . 118 PHE CA . 50369 1 507 . 1 . 1 118 118 PHE CB C 13 37.926 0.05 . . . . . . . 118 PHE CB . 50369 1 508 . 1 . 1 118 118 PHE N N 15 126.062 0.05 . . . . . . . 118 PHE N . 50369 1 509 . 1 . 1 119 119 GLU H H 1 9.260 0.01 . . . . . . . 119 GLU H . 50369 1 510 . 1 . 1 119 119 GLU C C 13 179.043 0.05 . . . . . . . 119 GLU C . 50369 1 511 . 1 . 1 119 119 GLU CA C 13 59.188 0.05 . . . . . . . 119 GLU CA . 50369 1 512 . 1 . 1 119 119 GLU CB C 13 28.107 0.05 . . . . . . . 119 GLU CB . 50369 1 513 . 1 . 1 119 119 GLU N N 15 116.572 0.05 . . . . . . . 119 GLU N . 50369 1 514 . 1 . 1 120 120 VAL H H 1 6.923 0.01 . . . . . . . 120 VAL H . 50369 1 515 . 1 . 1 120 120 VAL C C 13 178.058 0.05 . . . . . . . 120 VAL C . 50369 1 516 . 1 . 1 120 120 VAL CA C 13 64.774 0.05 . . . . . . . 120 VAL CA . 50369 1 517 . 1 . 1 120 120 VAL CB C 13 30.803 0.05 . . . . . . . 120 VAL CB . 50369 1 518 . 1 . 1 120 120 VAL N N 15 119.315 0.05 . . . . . . . 120 VAL N . 50369 1 519 . 1 . 1 121 121 ILE H H 1 7.508 0.01 . . . . . . . 121 ILE H . 50369 1 520 . 1 . 1 121 121 ILE C C 13 177.763 0.05 . . . . . . . 121 ILE C . 50369 1 521 . 1 . 1 121 121 ILE CA C 13 65.303 0.05 . . . . . . . 121 ILE CA . 50369 1 522 . 1 . 1 121 121 ILE CB C 13 36.197 0.05 . . . . . . . 121 ILE CB . 50369 1 523 . 1 . 1 121 121 ILE N N 15 119.535 0.05 . . . . . . . 121 ILE N . 50369 1 524 . 1 . 1 122 122 LYS H H 1 8.458 0.01 . . . . . . . 122 LYS H . 50369 1 525 . 1 . 1 122 122 LYS C C 13 178.940 0.05 . . . . . . . 122 LYS C . 50369 1 526 . 1 . 1 122 122 LYS CA C 13 59.599 0.05 . . . . . . . 122 LYS CA . 50369 1 527 . 1 . 1 122 122 LYS CB C 13 30.873 0.05 . . . . . . . 122 LYS CB . 50369 1 528 . 1 . 1 122 122 LYS N N 15 118.689 0.05 . . . . . . . 122 LYS N . 50369 1 529 . 1 . 1 123 123 GLN H H 1 7.373 0.01 . . . . . . . 123 GLN H . 50369 1 530 . 1 . 1 123 123 GLN C C 13 177.749 0.05 . . . . . . . 123 GLN C . 50369 1 531 . 1 . 1 123 123 GLN CA C 13 58.335 0.05 . . . . . . . 123 GLN CA . 50369 1 532 . 1 . 1 123 123 GLN CB C 13 27.415 0.05 . . . . . . . 123 GLN CB . 50369 1 533 . 1 . 1 123 123 GLN N N 15 119.045 0.05 . . . . . . . 123 GLN N . 50369 1 534 . 1 . 1 124 124 ARG H H 1 7.697 0.01 . . . . . . . 124 ARG H . 50369 1 535 . 1 . 1 124 124 ARG C C 13 179.749 0.05 . . . . . . . 124 ARG C . 50369 1 536 . 1 . 1 124 124 ARG CA C 13 58.717 0.05 . . . . . . . 124 ARG CA . 50369 1 537 . 1 . 1 124 124 ARG CB C 13 29.490 0.05 . . . . . . . 124 ARG CB . 50369 1 538 . 1 . 1 124 124 ARG N N 15 118.114 0.05 . . . . . . . 124 ARG N . 50369 1 539 . 1 . 1 125 125 LEU H H 1 8.157 0.01 . . . . . . . 125 LEU H . 50369 1 540 . 1 . 1 125 125 LEU C C 13 178.381 0.05 . . . . . . . 125 LEU C . 50369 1 541 . 1 . 1 125 125 LEU CA C 13 56.101 0.05 . . . . . . . 125 LEU CA . 50369 1 542 . 1 . 1 125 125 LEU CB C 13 41.798 0.05 . . . . . . . 125 LEU CB . 50369 1 543 . 1 . 1 125 125 LEU N N 15 116.764 0.05 . . . . . . . 125 LEU N . 50369 1 544 . 1 . 1 126 126 THR H H 1 7.443 0.01 . . . . . . . 126 THR H . 50369 1 545 . 1 . 1 126 126 THR C C 13 174.660 0.05 . . . . . . . 126 THR C . 50369 1 546 . 1 . 1 126 126 THR CA C 13 60.658 0.05 . . . . . . . 126 THR CA . 50369 1 547 . 1 . 1 126 126 THR CB C 13 69.389 0.05 . . . . . . . 126 THR CB . 50369 1 548 . 1 . 1 126 126 THR N N 15 107.671 0.05 . . . . . . . 126 THR N . 50369 1 549 . 1 . 1 127 127 ALA H H 1 6.770 0.01 . . . . . . . 127 ALA H . 50369 1 550 . 1 . 1 127 127 ALA C C 13 177.219 0.05 . . . . . . . 127 ALA C . 50369 1 551 . 1 . 1 127 127 ALA CA C 13 52.631 0.05 . . . . . . . 127 ALA CA . 50369 1 552 . 1 . 1 127 127 ALA CB C 13 19.117 0.05 . . . . . . . 127 ALA CB . 50369 1 553 . 1 . 1 127 127 ALA N N 15 122.954 0.05 . . . . . . . 127 ALA N . 50369 1 554 . 1 . 1 128 128 ARG H H 1 7.546 0.01 . . . . . . . 128 ARG H . 50369 1 555 . 1 . 1 128 128 ARG C C 13 175.748 0.05 . . . . . . . 128 ARG C . 50369 1 556 . 1 . 1 128 128 ARG CA C 13 56.600 0.05 . . . . . . . 128 ARG CA . 50369 1 557 . 1 . 1 128 128 ARG CB C 13 30.873 0.05 . . . . . . . 128 ARG CB . 50369 1 558 . 1 . 1 128 128 ARG N N 15 118.560 0.05 . . . . . . . 128 ARG N . 50369 1 559 . 1 . 1 133 133 ALA H H 1 6.857 0.01 . . . . . . . 133 ALA H . 50369 1 560 . 1 . 1 133 133 ALA C C 13 178.161 0.05 . . . . . . . 133 ALA C . 50369 1 561 . 1 . 1 133 133 ALA CA C 13 54.395 0.05 . . . . . . . 133 ALA CA . 50369 1 562 . 1 . 1 133 133 ALA CB C 13 17.734 0.05 . . . . . . . 133 ALA CB . 50369 1 563 . 1 . 1 133 133 ALA N N 15 115.032 0.05 . . . . . . . 133 ALA N . 50369 1 564 . 1 . 1 134 134 SER H H 1 6.734 0.01 . . . . . . . 134 SER H . 50369 1 565 . 1 . 1 134 134 SER C C 13 176.675 0.05 . . . . . . . 134 SER C . 50369 1 566 . 1 . 1 134 134 SER CA C 13 58.600 0.05 . . . . . . . 134 SER CA . 50369 1 567 . 1 . 1 134 134 SER CB C 13 64.964 0.05 . . . . . . . 134 SER CB . 50369 1 568 . 1 . 1 134 134 SER N N 15 109.306 0.05 . . . . . . . 134 SER N . 50369 1 569 . 1 . 1 135 135 GLY H H 1 8.432 0.01 . . . . . . . 135 GLY H . 50369 1 570 . 1 . 1 135 135 GLY C C 13 174.292 0.05 . . . . . . . 135 GLY C . 50369 1 571 . 1 . 1 135 135 GLY CA C 13 44.929 0.05 . . . . . . . 135 GLY CA . 50369 1 572 . 1 . 1 135 135 GLY N N 15 113.824 0.05 . . . . . . . 135 GLY N . 50369 1 573 . 1 . 1 136 136 ARG H H 1 8.506 0.01 . . . . . . . 136 ARG H . 50369 1 574 . 1 . 1 136 136 ARG C C 13 174.983 0.05 . . . . . . . 136 ARG C . 50369 1 575 . 1 . 1 136 136 ARG CA C 13 58.835 0.05 . . . . . . . 136 ARG CA . 50369 1 576 . 1 . 1 136 136 ARG CB C 13 31.841 0.05 . . . . . . . 136 ARG CB . 50369 1 577 . 1 . 1 136 136 ARG N N 15 122.091 0.05 . . . . . . . 136 ARG N . 50369 1 578 . 1 . 1 137 137 VAL H H 1 7.837 0.01 . . . . . . . 137 VAL H . 50369 1 579 . 1 . 1 137 137 VAL C C 13 175.734 0.05 . . . . . . . 137 VAL C . 50369 1 580 . 1 . 1 137 137 VAL CA C 13 60.746 0.05 . . . . . . . 137 VAL CA . 50369 1 581 . 1 . 1 137 137 VAL CB C 13 33.224 0.05 . . . . . . . 137 VAL CB . 50369 1 582 . 1 . 1 137 137 VAL N N 15 120.654 0.05 . . . . . . . 137 VAL N . 50369 1 583 . 1 . 1 138 138 TYR H H 1 9.513 0.01 . . . . . . . 138 TYR H . 50369 1 584 . 1 . 1 138 138 TYR C C 13 173.998 0.05 . . . . . . . 138 TYR C . 50369 1 585 . 1 . 1 138 138 TYR CA C 13 56.424 0.05 . . . . . . . 138 TYR CA . 50369 1 586 . 1 . 1 138 138 TYR CB C 13 39.655 0.05 . . . . . . . 138 TYR CB . 50369 1 587 . 1 . 1 138 138 TYR N N 15 126.778 0.05 . . . . . . . 138 TYR N . 50369 1 588 . 1 . 1 139 139 ASN H H 1 8.235 0.01 . . . . . . . 139 ASN H . 50369 1 589 . 1 . 1 139 139 ASN C C 13 176.925 0.05 . . . . . . . 139 ASN C . 50369 1 590 . 1 . 1 139 139 ASN CA C 13 51.749 0.05 . . . . . . . 139 ASN CA . 50369 1 591 . 1 . 1 139 139 ASN CB C 13 40.235 0.05 . . . . . . . 139 ASN CB . 50369 1 592 . 1 . 1 139 139 ASN N N 15 121.919 0.05 . . . . . . . 139 ASN N . 50369 1 593 . 1 . 1 140 140 ILE H H 1 8.982 0.01 . . . . . . . 140 ILE H . 50369 1 594 . 1 . 1 140 140 ILE C C 13 175.410 0.05 . . . . . . . 140 ILE C . 50369 1 595 . 1 . 1 140 140 ILE CA C 13 64.009 0.05 . . . . . . . 140 ILE CA . 50369 1 596 . 1 . 1 140 140 ILE CB C 13 36.405 0.05 . . . . . . . 140 ILE CB . 50369 1 597 . 1 . 1 140 140 ILE N N 15 122.740 0.05 . . . . . . . 140 ILE N . 50369 1 598 . 1 . 1 141 141 GLU H H 1 8.081 0.01 . . . . . . . 141 GLU H . 50369 1 599 . 1 . 1 141 141 GLU C C 13 176.851 0.05 . . . . . . . 141 GLU C . 50369 1 600 . 1 . 1 141 141 GLU CA C 13 57.424 0.05 . . . . . . . 141 GLU CA . 50369 1 601 . 1 . 1 141 141 GLU CB C 13 29.282 0.05 . . . . . . . 141 GLU CB . 50369 1 602 . 1 . 1 141 141 GLU N N 15 117.759 0.05 . . . . . . . 141 GLU N . 50369 1 603 . 1 . 1 142 142 PHE H H 1 7.594 0.01 . . . . . . . 142 PHE H . 50369 1 604 . 1 . 1 142 142 PHE C C 13 174.674 0.05 . . . . . . . 142 PHE C . 50369 1 605 . 1 . 1 142 142 PHE CA C 13 58.276 0.05 . . . . . . . 142 PHE CA . 50369 1 606 . 1 . 1 142 142 PHE CB C 13 41.176 0.05 . . . . . . . 142 PHE CB . 50369 1 607 . 1 . 1 142 142 PHE N N 15 115.642 0.05 . . . . . . . 142 PHE N . 50369 1 608 . 1 . 1 143 143 ASN H H 1 9.050 0.01 . . . . . . . 143 ASN H . 50369 1 609 . 1 . 1 143 143 ASN C C 13 170.335 0.05 . . . . . . . 143 ASN C . 50369 1 610 . 1 . 1 143 143 ASN CA C 13 51.808 0.05 . . . . . . . 143 ASN CA . 50369 1 611 . 1 . 1 143 143 ASN CB C 13 37.373 0.05 . . . . . . . 143 ASN CB . 50369 1 612 . 1 . 1 143 143 ASN N N 15 118.763 0.05 . . . . . . . 143 ASN N . 50369 1 613 . 1 . 1 146 146 LYS H H 1 9.731 0.01 . . . . . . . 146 LYS H . 50369 1 614 . 1 . 1 146 146 LYS C C 13 177.705 0.05 . . . . . . . 146 LYS C . 50369 1 615 . 1 . 1 146 146 LYS CA C 13 58.717 0.05 . . . . . . . 146 LYS CA . 50369 1 616 . 1 . 1 146 146 LYS CB C 13 31.149 0.05 . . . . . . . 146 LYS CB . 50369 1 617 . 1 . 1 146 146 LYS N N 15 124.497 0.05 . . . . . . . 146 LYS N . 50369 1 618 . 1 . 1 147 147 THR H H 1 8.621 0.01 . . . . . . . 147 THR H . 50369 1 619 . 1 . 1 147 147 THR C C 13 172.512 0.05 . . . . . . . 147 THR C . 50369 1 620 . 1 . 1 147 147 THR CA C 13 60.746 0.05 . . . . . . . 147 THR CA . 50369 1 621 . 1 . 1 147 147 THR CB C 13 69.251 0.05 . . . . . . . 147 THR CB . 50369 1 622 . 1 . 1 147 147 THR N N 15 117.017 0.05 . . . . . . . 147 THR N . 50369 1 623 . 1 . 1 148 148 VAL H H 1 7.690 0.01 . . . . . . . 148 VAL H . 50369 1 624 . 1 . 1 148 148 VAL C C 13 176.837 0.05 . . . . . . . 148 VAL C . 50369 1 625 . 1 . 1 148 148 VAL CA C 13 63.598 0.05 . . . . . . . 148 VAL CA . 50369 1 626 . 1 . 1 148 148 VAL CB C 13 30.665 0.05 . . . . . . . 148 VAL CB . 50369 1 627 . 1 . 1 148 148 VAL N N 15 123.930 0.05 . . . . . . . 148 VAL N . 50369 1 628 . 1 . 1 149 149 GLY H H 1 7.675 0.01 . . . . . . . 149 GLY H . 50369 1 629 . 1 . 1 149 149 GLY C C 13 173.762 0.05 . . . . . . . 149 GLY C . 50369 1 630 . 1 . 1 149 149 GLY CA C 13 44.840 0.05 . . . . . . . 149 GLY CA . 50369 1 631 . 1 . 1 149 149 GLY N N 15 110.388 0.05 . . . . . . . 149 GLY N . 50369 1 632 . 1 . 1 150 150 ILE H H 1 7.385 0.01 . . . . . . . 150 ILE H . 50369 1 633 . 1 . 1 150 150 ILE C C 13 174.660 0.05 . . . . . . . 150 ILE C . 50369 1 634 . 1 . 1 150 150 ILE CA C 13 57.835 0.05 . . . . . . . 150 ILE CA . 50369 1 635 . 1 . 1 150 150 ILE CB C 13 39.862 0.05 . . . . . . . 150 ILE CB . 50369 1 636 . 1 . 1 150 150 ILE N N 15 119.648 0.05 . . . . . . . 150 ILE N . 50369 1 637 . 1 . 1 151 151 ASP H H 1 8.906 0.01 . . . . . . . 151 ASP H . 50369 1 638 . 1 . 1 151 151 ASP C C 13 176.646 0.05 . . . . . . . 151 ASP C . 50369 1 639 . 1 . 1 151 151 ASP CA C 13 54.072 0.05 . . . . . . . 151 ASP CA . 50369 1 640 . 1 . 1 151 151 ASP CB C 13 43.043 0.05 . . . . . . . 151 ASP CB . 50369 1 641 . 1 . 1 151 151 ASP N N 15 122.974 0.05 . . . . . . . 151 ASP N . 50369 1 642 . 1 . 1 152 152 ASP H H 1 7.539 0.01 . . . . . . . 152 ASP H . 50369 1 643 . 1 . 1 152 152 ASP C C 13 176.822 0.05 . . . . . . . 152 ASP C . 50369 1 644 . 1 . 1 152 152 ASP CA C 13 56.894 0.05 . . . . . . . 152 ASP CA . 50369 1 645 . 1 . 1 152 152 ASP CB C 13 40.048 0.05 . . . . . . . 152 ASP CB . 50369 1 646 . 1 . 1 152 152 ASP N N 15 126.025 0.05 . . . . . . . 152 ASP N . 50369 1 647 . 1 . 1 153 153 LEU H H 1 6.469 0.01 . . . . . . . 153 LEU H . 50369 1 648 . 1 . 1 153 153 LEU C C 13 178.528 0.05 . . . . . . . 153 LEU C . 50369 1 649 . 1 . 1 153 153 LEU CA C 13 56.793 0.05 . . . . . . . 153 LEU CA . 50369 1 650 . 1 . 1 153 153 LEU CB C 13 41.383 0.05 . . . . . . . 153 LEU CB . 50369 1 651 . 1 . 1 153 153 LEU N N 15 114.600 0.05 . . . . . . . 153 LEU N . 50369 1 652 . 1 . 1 154 154 THR H H 1 7.250 0.01 . . . . . . . 154 THR H . 50369 1 653 . 1 . 1 154 154 THR C C 13 176.572 0.05 . . . . . . . 154 THR C . 50369 1 654 . 1 . 1 154 154 THR CA C 13 61.598 0.05 . . . . . . . 154 THR CA . 50369 1 655 . 1 . 1 154 154 THR CB C 13 72.432 0.05 . . . . . . . 154 THR CB . 50369 1 656 . 1 . 1 154 154 THR N N 15 105.345 0.05 . . . . . . . 154 THR N . 50369 1 657 . 1 . 1 155 155 GLY H H 1 7.754 0.01 . . . . . . . 155 GLY H . 50369 1 658 . 1 . 1 155 155 GLY C C 13 173.454 0.05 . . . . . . . 155 GLY C . 50369 1 659 . 1 . 1 155 155 GLY CA C 13 45.428 0.05 . . . . . . . 155 GLY CA . 50369 1 660 . 1 . 1 155 155 GLY N N 15 111.017 0.05 . . . . . . . 155 GLY N . 50369 1 661 . 1 . 1 156 156 GLU H H 1 7.502 0.01 . . . . . . . 156 GLU H . 50369 1 662 . 1 . 1 156 156 GLU C C 13 173.733 0.05 . . . . . . . 156 GLU C . 50369 1 663 . 1 . 1 156 156 GLU CA C 13 54.072 0.05 . . . . . . . 156 GLU CA . 50369 1 664 . 1 . 1 156 156 GLU CB C 13 28.591 0.05 . . . . . . . 156 GLU CB . 50369 1 665 . 1 . 1 156 156 GLU N N 15 119.905 0.05 . . . . . . . 156 GLU N . 50369 1 666 . 1 . 1 158 158 LEU H H 1 7.479 0.01 . . . . . . . 158 LEU H . 50369 1 667 . 1 . 1 158 158 LEU C C 13 177.057 0.05 . . . . . . . 158 LEU C . 50369 1 668 . 1 . 1 158 158 LEU CA C 13 51.985 0.05 . . . . . . . 158 LEU CA . 50369 1 669 . 1 . 1 158 158 LEU CB C 13 43.458 0.05 . . . . . . . 158 LEU CB . 50369 1 670 . 1 . 1 158 158 LEU N N 15 117.629 0.05 . . . . . . . 158 LEU N . 50369 1 671 . 1 . 1 159 159 ILE H H 1 9.212 0.01 . . . . . . . 159 ILE H . 50369 1 672 . 1 . 1 159 159 ILE C C 13 174.469 0.05 . . . . . . . 159 ILE C . 50369 1 673 . 1 . 1 159 159 ILE CA C 13 58.894 0.05 . . . . . . . 159 ILE CA . 50369 1 674 . 1 . 1 159 159 ILE CB C 13 41.548 0.05 . . . . . . . 159 ILE CB . 50369 1 675 . 1 . 1 159 159 ILE N N 15 114.914 0.05 . . . . . . . 159 ILE N . 50369 1 676 . 1 . 1 160 160 GLN H H 1 8.099 0.01 . . . . . . . 160 GLN H . 50369 1 677 . 1 . 1 160 160 GLN C C 13 176.234 0.05 . . . . . . . 160 GLN C . 50369 1 678 . 1 . 1 160 160 GLN CA C 13 54.454 0.05 . . . . . . . 160 GLN CA . 50369 1 679 . 1 . 1 160 160 GLN CB C 13 30.389 0.05 . . . . . . . 160 GLN CB . 50369 1 680 . 1 . 1 160 160 GLN N N 15 118.921 0.05 . . . . . . . 160 GLN N . 50369 1 681 . 1 . 1 161 161 ARG H H 1 9.021 0.01 . . . . . . . 161 ARG H . 50369 1 682 . 1 . 1 161 161 ARG C C 13 177.337 0.05 . . . . . . . 161 ARG C . 50369 1 683 . 1 . 1 161 161 ARG CA C 13 55.219 0.05 . . . . . . . 161 ARG CA . 50369 1 684 . 1 . 1 161 161 ARG CB C 13 29.490 0.05 . . . . . . . 161 ARG CB . 50369 1 685 . 1 . 1 161 161 ARG N N 15 124.102 0.05 . . . . . . . 161 ARG N . 50369 1 686 . 1 . 1 162 162 GLU H H 1 8.549 0.01 . . . . . . . 162 GLU H . 50369 1 687 . 1 . 1 162 162 GLU C C 13 178.337 0.05 . . . . . . . 162 GLU C . 50369 1 688 . 1 . 1 162 162 GLU CA C 13 58.982 0.05 . . . . . . . 162 GLU CA . 50369 1 689 . 1 . 1 162 162 GLU CB C 13 28.729 0.05 . . . . . . . 162 GLU CB . 50369 1 690 . 1 . 1 162 162 GLU N N 15 122.073 0.05 . . . . . . . 162 GLU N . 50369 1 691 . 1 . 1 163 163 ASP H H 1 7.309 0.01 . . . . . . . 163 ASP H . 50369 1 692 . 1 . 1 163 163 ASP C C 13 177.896 0.05 . . . . . . . 163 ASP C . 50369 1 693 . 1 . 1 163 163 ASP CA C 13 60.687 0.05 . . . . . . . 163 ASP CA . 50369 1 694 . 1 . 1 163 163 ASP CB C 13 37.373 0.05 . . . . . . . 163 ASP CB . 50369 1 695 . 1 . 1 163 163 ASP N N 15 121.601 0.05 . . . . . . . 163 ASP N . 50369 1 696 . 1 . 1 164 164 ASP H H 1 7.990 0.01 . . . . . . . 164 ASP H . 50369 1 697 . 1 . 1 164 164 ASP CA C 13 59.893 0.05 . . . . . . . 164 ASP CA . 50369 1 698 . 1 . 1 164 164 ASP CB C 13 37.304 0.05 . . . . . . . 164 ASP CB . 50369 1 699 . 1 . 1 164 164 ASP N N 15 118.377 0.05 . . . . . . . 164 ASP N . 50369 1 700 . 1 . 1 167 167 GLU H H 1 9.097 0.01 . . . . . . . 167 GLU H . 50369 1 701 . 1 . 1 167 167 GLU C C 13 178.778 0.05 . . . . . . . 167 GLU C . 50369 1 702 . 1 . 1 167 167 GLU CA C 13 59.452 0.05 . . . . . . . 167 GLU CA . 50369 1 703 . 1 . 1 167 167 GLU CB C 13 27.968 0.05 . . . . . . . 167 GLU CB . 50369 1 704 . 1 . 1 167 167 GLU N N 15 114.965 0.05 . . . . . . . 167 GLU N . 50369 1 705 . 1 . 1 168 168 THR H H 1 7.104 0.01 . . . . . . . 168 THR H . 50369 1 706 . 1 . 1 168 168 THR C C 13 176.395 0.05 . . . . . . . 168 THR C . 50369 1 707 . 1 . 1 168 168 THR CA C 13 64.656 0.05 . . . . . . . 168 THR CA . 50369 1 708 . 1 . 1 168 168 THR CB C 13 68.006 0.05 . . . . . . . 168 THR CB . 50369 1 709 . 1 . 1 168 168 THR N N 15 116.360 0.05 . . . . . . . 168 THR N . 50369 1 710 . 1 . 1 169 169 VAL H H 1 8.137 0.01 . . . . . . . 169 VAL H . 50369 1 711 . 1 . 1 169 169 VAL C C 13 177.749 0.05 . . . . . . . 169 VAL C . 50369 1 712 . 1 . 1 169 169 VAL CA C 13 66.626 0.05 . . . . . . . 169 VAL CA . 50369 1 713 . 1 . 1 169 169 VAL CB C 13 31.011 0.05 . . . . . . . 169 VAL CB . 50369 1 714 . 1 . 1 169 169 VAL N N 15 124.202 0.05 . . . . . . . 169 VAL N . 50369 1 715 . 1 . 1 170 170 ILE H H 1 8.472 0.01 . . . . . . . 170 ILE H . 50369 1 716 . 1 . 1 170 170 ILE CA C 13 65.240 0.05 . . . . . . . 170 ILE CA . 50369 1 717 . 1 . 1 170 170 ILE CB C 13 36.889 0.05 . . . . . . . 170 ILE CB . 50369 1 718 . 1 . 1 170 170 ILE N N 15 118.645 0.05 . . . . . . . 170 ILE N . 50369 1 719 . 1 . 1 171 171 LYS H H 1 7.108 0.01 . . . . . . . 171 LYS H . 50369 1 720 . 1 . 1 171 171 LYS C C 13 179.602 0.05 . . . . . . . 171 LYS C . 50369 1 721 . 1 . 1 171 171 LYS CA C 13 59.482 0.05 . . . . . . . 171 LYS CA . 50369 1 722 . 1 . 1 171 171 LYS CB C 13 31.426 0.05 . . . . . . . 171 LYS CB . 50369 1 723 . 1 . 1 171 171 LYS N N 15 119.389 0.05 . . . . . . . 171 LYS N . 50369 1 724 . 1 . 1 172 172 ARG H H 1 8.057 0.01 . . . . . . . 172 ARG H . 50369 1 725 . 1 . 1 172 172 ARG C C 13 180.073 0.05 . . . . . . . 172 ARG C . 50369 1 726 . 1 . 1 172 172 ARG CA C 13 58.835 0.05 . . . . . . . 172 ARG CA . 50369 1 727 . 1 . 1 172 172 ARG CB C 13 29.490 0.05 . . . . . . . 172 ARG CB . 50369 1 728 . 1 . 1 172 172 ARG N N 15 121.008 0.05 . . . . . . . 172 ARG N . 50369 1 729 . 1 . 1 173 173 LEU H H 1 8.532 0.01 . . . . . . . 173 LEU H . 50369 1 730 . 1 . 1 173 173 LEU C C 13 179.264 0.05 . . . . . . . 173 LEU C . 50369 1 731 . 1 . 1 173 173 LEU CA C 13 57.188 0.05 . . . . . . . 173 LEU CA . 50369 1 732 . 1 . 1 173 173 LEU CB C 13 40.000 0.05 . . . . . . . 173 LEU CB . 50369 1 733 . 1 . 1 173 173 LEU N N 15 121.907 0.05 . . . . . . . 173 LEU N . 50369 1 734 . 1 . 1 174 174 LYS H H 1 8.358 0.01 . . . . . . . 174 LYS H . 50369 1 735 . 1 . 1 174 174 LYS C C 13 178.308 0.05 . . . . . . . 174 LYS C . 50369 1 736 . 1 . 1 174 174 LYS CA C 13 58.570 0.05 . . . . . . . 174 LYS CA . 50369 1 737 . 1 . 1 174 174 LYS CB C 13 30.803 0.05 . . . . . . . 174 LYS CB . 50369 1 738 . 1 . 1 174 174 LYS N N 15 121.795 0.05 . . . . . . . 174 LYS N . 50369 1 739 . 1 . 1 175 175 ALA H H 1 7.863 0.01 . . . . . . . 175 ALA H . 50369 1 740 . 1 . 1 175 175 ALA C C 13 180.441 0.05 . . . . . . . 175 ALA C . 50369 1 741 . 1 . 1 175 175 ALA CA C 13 54.542 0.05 . . . . . . . 175 ALA CA . 50369 1 742 . 1 . 1 175 175 ALA CB C 13 16.835 0.05 . . . . . . . 175 ALA CB . 50369 1 743 . 1 . 1 175 175 ALA N N 15 120.811 0.05 . . . . . . . 175 ALA N . 50369 1 744 . 1 . 1 176 176 TYR H H 1 7.815 0.01 . . . . . . . 176 TYR H . 50369 1 745 . 1 . 1 176 176 TYR C C 13 178.631 0.05 . . . . . . . 176 TYR C . 50369 1 746 . 1 . 1 176 176 TYR CA C 13 61.716 0.05 . . . . . . . 176 TYR CA . 50369 1 747 . 1 . 1 176 176 TYR CB C 13 36.889 0.05 . . . . . . . 176 TYR CB . 50369 1 748 . 1 . 1 176 176 TYR N N 15 118.830 0.05 . . . . . . . 176 TYR N . 50369 1 749 . 1 . 1 177 177 GLU H H 1 8.559 0.01 . . . . . . . 177 GLU H . 50369 1 750 . 1 . 1 177 177 GLU C C 13 178.440 0.05 . . . . . . . 177 GLU C . 50369 1 751 . 1 . 1 177 177 GLU CA C 13 59.393 0.05 . . . . . . . 177 GLU CA . 50369 1 752 . 1 . 1 177 177 GLU CB C 13 28.936 0.05 . . . . . . . 177 GLU CB . 50369 1 753 . 1 . 1 177 177 GLU N N 15 124.144 0.05 . . . . . . . 177 GLU N . 50369 1 754 . 1 . 1 178 178 ASP H H 1 8.474 0.01 . . . . . . . 178 ASP H . 50369 1 755 . 1 . 1 178 178 ASP C C 13 178.131 0.05 . . . . . . . 178 ASP C . 50369 1 756 . 1 . 1 178 178 ASP CA C 13 56.689 0.05 . . . . . . . 178 ASP CA . 50369 1 757 . 1 . 1 178 178 ASP CB C 13 39.793 0.05 . . . . . . . 178 ASP CB . 50369 1 758 . 1 . 1 178 178 ASP N N 15 118.706 0.05 . . . . . . . 178 ASP N . 50369 1 759 . 1 . 1 179 179 GLN H H 1 7.727 0.01 . . . . . . . 179 GLN H . 50369 1 760 . 1 . 1 179 179 GLN C C 13 177.410 0.05 . . . . . . . 179 GLN C . 50369 1 761 . 1 . 1 179 179 GLN CA C 13 57.482 0.05 . . . . . . . 179 GLN CA . 50369 1 762 . 1 . 1 179 179 GLN CB C 13 28.521 0.05 . . . . . . . 179 GLN CB . 50369 1 763 . 1 . 1 179 179 GLN N N 15 116.718 0.05 . . . . . . . 179 GLN N . 50369 1 764 . 1 . 1 180 180 THR H H 1 7.772 0.01 . . . . . . . 180 THR H . 50369 1 765 . 1 . 1 180 180 THR C C 13 176.175 0.05 . . . . . . . 180 THR C . 50369 1 766 . 1 . 1 180 180 THR CA C 13 64.362 0.05 . . . . . . . 180 THR CA . 50369 1 767 . 1 . 1 180 180 THR CB C 13 68.836 0.05 . . . . . . . 180 THR CB . 50369 1 768 . 1 . 1 180 180 THR N N 15 110.749 0.05 . . . . . . . 180 THR N . 50369 1 769 . 1 . 1 181 181 LYS H H 1 8.049 0.01 . . . . . . . 181 LYS H . 50369 1 770 . 1 . 1 181 181 LYS C C 13 175.381 0.05 . . . . . . . 181 LYS C . 50369 1 771 . 1 . 1 181 181 LYS CA C 13 61.804 0.05 . . . . . . . 181 LYS CA . 50369 1 772 . 1 . 1 181 181 LYS CB C 13 28.729 0.05 . . . . . . . 181 LYS CB . 50369 1 773 . 1 . 1 181 181 LYS N N 15 125.646 0.05 . . . . . . . 181 LYS N . 50369 1 774 . 1 . 1 183 183 VAL H H 1 6.891 0.01 . . . . . . . 183 VAL H . 50369 1 775 . 1 . 1 183 183 VAL C C 13 176.748 0.05 . . . . . . . 183 VAL C . 50369 1 776 . 1 . 1 183 183 VAL CA C 13 65.479 0.05 . . . . . . . 183 VAL CA . 50369 1 777 . 1 . 1 183 183 VAL CB C 13 30.879 0.05 . . . . . . . 183 VAL CB . 50369 1 778 . 1 . 1 183 183 VAL N N 15 118.842 0.05 . . . . . . . 183 VAL N . 50369 1 779 . 1 . 1 184 184 LEU H H 1 8.057 0.01 . . . . . . . 184 LEU H . 50369 1 780 . 1 . 1 184 184 LEU C C 13 179.426 0.05 . . . . . . . 184 LEU C . 50369 1 781 . 1 . 1 184 184 LEU CA C 13 57.835 0.05 . . . . . . . 184 LEU CA . 50369 1 782 . 1 . 1 184 184 LEU CB C 13 39.793 0.05 . . . . . . . 184 LEU CB . 50369 1 783 . 1 . 1 184 184 LEU N N 15 119.128 0.05 . . . . . . . 184 LEU N . 50369 1 784 . 1 . 1 185 185 GLU H H 1 7.955 0.01 . . . . . . . 185 GLU H . 50369 1 785 . 1 . 1 185 185 GLU C C 13 178.219 0.05 . . . . . . . 185 GLU C . 50369 1 786 . 1 . 1 185 185 GLU CA C 13 59.041 0.05 . . . . . . . 185 GLU CA . 50369 1 787 . 1 . 1 185 185 GLU CB C 13 28.591 0.05 . . . . . . . 185 GLU CB . 50369 1 788 . 1 . 1 185 185 GLU N N 15 117.680 0.05 . . . . . . . 185 GLU N . 50369 1 789 . 1 . 1 188 188 GLN H H 1 8.900 0.01 . . . . . . . 188 GLN H . 50369 1 790 . 1 . 1 188 188 GLN C C 13 180.396 0.05 . . . . . . . 188 GLN C . 50369 1 791 . 1 . 1 188 188 GLN CA C 13 58.019 0.05 . . . . . . . 188 GLN CA . 50369 1 792 . 1 . 1 188 188 GLN CB C 13 27.277 0.05 . . . . . . . 188 GLN CB . 50369 1 793 . 1 . 1 188 188 GLN N N 15 122.873 0.05 . . . . . . . 188 GLN N . 50369 1 794 . 1 . 1 189 189 LYS H H 1 8.105 0.01 . . . . . . . 189 LYS H . 50369 1 795 . 1 . 1 189 189 LYS C C 13 178.749 0.05 . . . . . . . 189 LYS C . 50369 1 796 . 1 . 1 189 189 LYS CA C 13 58.688 0.05 . . . . . . . 189 LYS CA . 50369 1 797 . 1 . 1 189 189 LYS CB C 13 30.803 0.05 . . . . . . . 189 LYS CB . 50369 1 798 . 1 . 1 189 189 LYS N N 15 121.612 0.05 . . . . . . . 189 LYS N . 50369 1 799 . 1 . 1 190 190 LYS H H 1 7.236 0.01 . . . . . . . 190 LYS H . 50369 1 800 . 1 . 1 190 190 LYS C C 13 177.043 0.05 . . . . . . . 190 LYS C . 50369 1 801 . 1 . 1 190 190 LYS CA C 13 55.983 0.05 . . . . . . . 190 LYS CA . 50369 1 802 . 1 . 1 190 190 LYS CB C 13 31.979 0.05 . . . . . . . 190 LYS CB . 50369 1 803 . 1 . 1 190 190 LYS N N 15 116.371 0.05 . . . . . . . 190 LYS N . 50369 1 804 . 1 . 1 191 191 GLY H H 1 7.618 0.01 . . . . . . . 191 GLY H . 50369 1 805 . 1 . 1 191 191 GLY C C 13 175.601 0.05 . . . . . . . 191 GLY C . 50369 1 806 . 1 . 1 191 191 GLY CA C 13 45.487 0.05 . . . . . . . 191 GLY CA . 50369 1 807 . 1 . 1 191 191 GLY N N 15 107.223 0.05 . . . . . . . 191 GLY N . 50369 1 808 . 1 . 1 192 192 VAL H H 1 7.101 0.01 . . . . . . . 192 VAL H . 50369 1 809 . 1 . 1 192 192 VAL C C 13 174.748 0.05 . . . . . . . 192 VAL C . 50369 1 810 . 1 . 1 192 192 VAL CA C 13 59.687 0.05 . . . . . . . 192 VAL CA . 50369 1 811 . 1 . 1 192 192 VAL CB C 13 31.564 0.05 . . . . . . . 192 VAL CB . 50369 1 812 . 1 . 1 192 192 VAL N N 15 107.948 0.05 . . . . . . . 192 VAL N . 50369 1 813 . 1 . 1 193 193 LEU H H 1 7.234 0.01 . . . . . . . 193 LEU H . 50369 1 814 . 1 . 1 193 193 LEU C C 13 174.571 0.05 . . . . . . . 193 LEU C . 50369 1 815 . 1 . 1 193 193 LEU CA C 13 54.278 0.05 . . . . . . . 193 LEU CA . 50369 1 816 . 1 . 1 193 193 LEU CB C 13 42.628 0.05 . . . . . . . 193 LEU CB . 50369 1 817 . 1 . 1 193 193 LEU N N 15 125.693 0.05 . . . . . . . 193 LEU N . 50369 1 818 . 1 . 1 194 194 GLU H H 1 9.220 0.01 . . . . . . . 194 GLU H . 50369 1 819 . 1 . 1 194 194 GLU C C 13 173.630 0.05 . . . . . . . 194 GLU C . 50369 1 820 . 1 . 1 194 194 GLU CA C 13 54.337 0.05 . . . . . . . 194 GLU CA . 50369 1 821 . 1 . 1 194 194 GLU CB C 13 29.835 0.05 . . . . . . . 194 GLU CB . 50369 1 822 . 1 . 1 194 194 GLU N N 15 132.431 0.05 . . . . . . . 194 GLU N . 50369 1 823 . 1 . 1 195 195 THR H H 1 8.031 0.01 . . . . . . . 195 THR H . 50369 1 824 . 1 . 1 195 195 THR C C 13 173.865 0.05 . . . . . . . 195 THR C . 50369 1 825 . 1 . 1 195 195 THR CA C 13 61.598 0.05 . . . . . . . 195 THR CA . 50369 1 826 . 1 . 1 195 195 THR CB C 13 68.836 0.05 . . . . . . . 195 THR CB . 50369 1 827 . 1 . 1 195 195 THR N N 15 122.883 0.05 . . . . . . . 195 THR N . 50369 1 828 . 1 . 1 196 196 PHE H H 1 8.927 0.01 . . . . . . . 196 PHE H . 50369 1 829 . 1 . 1 196 196 PHE C C 13 174.277 0.05 . . . . . . . 196 PHE C . 50369 1 830 . 1 . 1 196 196 PHE CA C 13 56.365 0.05 . . . . . . . 196 PHE CA . 50369 1 831 . 1 . 1 196 196 PHE CB C 13 39.931 0.05 . . . . . . . 196 PHE CB . 50369 1 832 . 1 . 1 196 196 PHE N N 15 128.034 0.05 . . . . . . . 196 PHE N . 50369 1 833 . 1 . 1 197 197 SER H H 1 8.676 0.01 . . . . . . . 197 SER H . 50369 1 834 . 1 . 1 197 197 SER C C 13 173.968 0.05 . . . . . . . 197 SER C . 50369 1 835 . 1 . 1 197 197 SER CA C 13 56.428 0.05 . . . . . . . 197 SER CA . 50369 1 836 . 1 . 1 197 197 SER CB C 13 64.134 0.05 . . . . . . . 197 SER CB . 50369 1 837 . 1 . 1 197 197 SER N N 15 120.248 0.05 . . . . . . . 197 SER N . 50369 1 838 . 1 . 1 198 198 GLY H H 1 7.691 0.01 . . . . . . . 198 GLY H . 50369 1 839 . 1 . 1 198 198 GLY C C 13 171.159 0.05 . . . . . . . 198 GLY C . 50369 1 840 . 1 . 1 198 198 GLY CA C 13 44.546 0.05 . . . . . . . 198 GLY CA . 50369 1 841 . 1 . 1 198 198 GLY N N 15 109.760 0.05 . . . . . . . 198 GLY N . 50369 1 842 . 1 . 1 199 199 THR H H 1 8.606 0.01 . . . . . . . 199 THR H . 50369 1 843 . 1 . 1 199 199 THR C C 13 174.263 0.05 . . . . . . . 199 THR C . 50369 1 844 . 1 . 1 199 199 THR CA C 13 61.951 0.05 . . . . . . . 199 THR CA . 50369 1 845 . 1 . 1 199 199 THR CB C 13 69.182 0.05 . . . . . . . 199 THR CB . 50369 1 846 . 1 . 1 199 199 THR N N 15 106.007 0.05 . . . . . . . 199 THR N . 50369 1 847 . 1 . 1 200 200 GLU H H 1 7.433 0.01 . . . . . . . 200 GLU H . 50369 1 848 . 1 . 1 200 200 GLU C C 13 177.249 0.05 . . . . . . . 200 GLU C . 50369 1 849 . 1 . 1 200 200 GLU CA C 13 54.219 0.05 . . . . . . . 200 GLU CA . 50369 1 850 . 1 . 1 200 200 GLU CB C 13 31.633 0.05 . . . . . . . 200 GLU CB . 50369 1 851 . 1 . 1 200 200 GLU N N 15 119.146 0.05 . . . . . . . 200 GLU N . 50369 1 852 . 1 . 1 203 203 LYS H H 1 7.307 0.01 . . . . . . . 203 LYS H . 50369 1 853 . 1 . 1 203 203 LYS C C 13 177.881 0.05 . . . . . . . 203 LYS C . 50369 1 854 . 1 . 1 203 203 LYS CA C 13 56.600 0.05 . . . . . . . 203 LYS CA . 50369 1 855 . 1 . 1 203 203 LYS CB C 13 31.979 0.05 . . . . . . . 203 LYS CB . 50369 1 856 . 1 . 1 203 203 LYS N N 15 117.341 0.05 . . . . . . . 203 LYS N . 50369 1 857 . 1 . 1 204 204 ILE H H 1 7.496 0.01 . . . . . . . 204 ILE H . 50369 1 858 . 1 . 1 204 204 ILE C C 13 177.912 0.05 . . . . . . . 204 ILE C . 50369 1 859 . 1 . 1 204 204 ILE CA C 13 63.451 0.05 . . . . . . . 204 ILE CA . 50369 1 860 . 1 . 1 204 204 ILE CB C 13 39.585 0.05 . . . . . . . 204 ILE CB . 50369 1 861 . 1 . 1 204 204 ILE N N 15 120.273 0.05 . . . . . . . 204 ILE N . 50369 1 862 . 1 . 1 205 205 TRP H H 1 8.362 0.01 . . . . . . . 205 TRP H . 50369 1 863 . 1 . 1 205 205 TRP HE1 H 1 10.331 0.01 . . . . . . . 205 TRP HE1 . 50369 1 864 . 1 . 1 205 205 TRP C C 13 171.541 0.05 . . . . . . . 205 TRP C . 50369 1 865 . 1 . 1 205 205 TRP CA C 13 60.540 0.05 . . . . . . . 205 TRP CA . 50369 1 866 . 1 . 1 205 205 TRP CB C 13 27.484 0.05 . . . . . . . 205 TRP CB . 50369 1 867 . 1 . 1 205 205 TRP N N 15 118.261 0.05 . . . . . . . 205 TRP N . 50369 1 868 . 1 . 1 205 205 TRP NE1 N 15 131.635 0.05 . . . . . . . 205 TRP NE1 . 50369 1 869 . 1 . 1 207 207 TYR H H 1 7.025 0.01 . . . . . . . 207 TYR H . 50369 1 870 . 1 . 1 207 207 TYR C C 13 178.558 0.05 . . . . . . . 207 TYR C . 50369 1 871 . 1 . 1 207 207 TYR CA C 13 60.628 0.05 . . . . . . . 207 TYR CA . 50369 1 872 . 1 . 1 207 207 TYR CB C 13 37.027 0.05 . . . . . . . 207 TYR CB . 50369 1 873 . 1 . 1 207 207 TYR N N 15 114.848 0.05 . . . . . . . 207 TYR N . 50369 1 874 . 1 . 1 208 208 VAL H H 1 7.115 0.01 . . . . . . . 208 VAL H . 50369 1 875 . 1 . 1 208 208 VAL C C 13 176.778 0.05 . . . . . . . 208 VAL C . 50369 1 876 . 1 . 1 208 208 VAL CA C 13 65.126 0.05 . . . . . . . 208 VAL CA . 50369 1 877 . 1 . 1 208 208 VAL CB C 13 29.835 0.05 . . . . . . . 208 VAL CB . 50369 1 878 . 1 . 1 208 208 VAL N N 15 123.805 0.05 . . . . . . . 208 VAL N . 50369 1 879 . 1 . 1 209 209 TYR H H 1 7.842 0.01 . . . . . . . 209 TYR H . 50369 1 880 . 1 . 1 209 209 TYR C C 13 176.513 0.05 . . . . . . . 209 TYR C . 50369 1 881 . 1 . 1 209 209 TYR CA C 13 60.422 0.05 . . . . . . . 209 TYR CA . 50369 1 882 . 1 . 1 209 209 TYR CB C 13 36.059 0.05 . . . . . . . 209 TYR CB . 50369 1 883 . 1 . 1 209 209 TYR N N 15 119.930 0.05 . . . . . . . 209 TYR N . 50369 1 884 . 1 . 1 210 210 ALA H H 1 7.367 0.01 . . . . . . . 210 ALA H . 50369 1 885 . 1 . 1 210 210 ALA C C 13 179.911 0.05 . . . . . . . 210 ALA C . 50369 1 886 . 1 . 1 210 210 ALA CA C 13 53.954 0.05 . . . . . . . 210 ALA CA . 50369 1 887 . 1 . 1 210 210 ALA CB C 13 17.250 0.05 . . . . . . . 210 ALA CB . 50369 1 888 . 1 . 1 210 210 ALA N N 15 118.734 0.05 . . . . . . . 210 ALA N . 50369 1 889 . 1 . 1 211 211 PHE H H 1 7.475 0.01 . . . . . . . 211 PHE H . 50369 1 890 . 1 . 1 211 211 PHE C C 13 177.940 0.05 . . . . . . . 211 PHE C . 50369 1 891 . 1 . 1 211 211 PHE CA C 13 59.776 0.05 . . . . . . . 211 PHE CA . 50369 1 892 . 1 . 1 211 211 PHE CB C 13 38.963 0.05 . . . . . . . 211 PHE CB . 50369 1 893 . 1 . 1 211 211 PHE N N 15 117.804 0.05 . . . . . . . 211 PHE N . 50369 1 894 . 1 . 1 212 212 LEU H H 1 8.144 0.01 . . . . . . . 212 LEU H . 50369 1 895 . 1 . 1 212 212 LEU C C 13 178.631 0.05 . . . . . . . 212 LEU C . 50369 1 896 . 1 . 1 212 212 LEU CA C 13 56.248 0.05 . . . . . . . 212 LEU CA . 50369 1 897 . 1 . 1 212 212 LEU CB C 13 39.655 0.05 . . . . . . . 212 LEU CB . 50369 1 898 . 1 . 1 212 212 LEU N N 15 119.739 0.05 . . . . . . . 212 LEU N . 50369 1 899 . 1 . 1 213 213 GLN H H 1 7.744 0.01 . . . . . . . 213 GLN H . 50369 1 900 . 1 . 1 213 213 GLN C C 13 177.572 0.05 . . . . . . . 213 GLN C . 50369 1 901 . 1 . 1 213 213 GLN CA C 13 58.159 0.05 . . . . . . . 213 GLN CA . 50369 1 902 . 1 . 1 213 213 GLN CB C 13 27.899 0.05 . . . . . . . 213 GLN CB . 50369 1 903 . 1 . 1 213 213 GLN N N 15 117.578 0.05 . . . . . . . 213 GLN N . 50369 1 904 . 1 . 1 222 222 LYS H H 1 8.155 0.01 . . . . . . . 222 LYS H . 50369 1 905 . 1 . 1 222 222 LYS C C 13 176.160 0.05 . . . . . . . 222 LYS C . 50369 1 906 . 1 . 1 222 222 LYS CA C 13 55.689 0.05 . . . . . . . 222 LYS CA . 50369 1 907 . 1 . 1 222 222 LYS CB C 13 31.979 0.05 . . . . . . . 222 LYS CB . 50369 1 908 . 1 . 1 222 222 LYS N N 15 122.938 0.05 . . . . . . . 222 LYS N . 50369 1 909 . 1 . 1 223 223 ALA H H 1 8.202 0.01 . . . . . . . 223 ALA H . 50369 1 910 . 1 . 1 223 223 ALA C C 13 177.572 0.05 . . . . . . . 223 ALA C . 50369 1 911 . 1 . 1 223 223 ALA CA C 13 51.838 0.05 . . . . . . . 223 ALA CA . 50369 1 912 . 1 . 1 223 223 ALA CB C 13 18.426 0.05 . . . . . . . 223 ALA CB . 50369 1 913 . 1 . 1 223 223 ALA N N 15 125.783 0.05 . . . . . . . 223 ALA N . 50369 1 914 . 1 . 1 224 224 SER H H 1 8.148 0.01 . . . . . . . 224 SER H . 50369 1 915 . 1 . 1 224 224 SER CA C 13 57.688 0.05 . . . . . . . 224 SER CA . 50369 1 916 . 1 . 1 224 224 SER CB C 13 63.511 0.05 . . . . . . . 224 SER CB . 50369 1 917 . 1 . 1 224 224 SER N N 15 115.762 0.05 . . . . . . . 224 SER N . 50369 1 918 . 1 . 1 225 225 VAL H H 1 8.032 0.01 . . . . . . . 225 VAL H . 50369 1 919 . 1 . 1 225 225 VAL C C 13 174.925 0.05 . . . . . . . 225 VAL C . 50369 1 920 . 1 . 1 225 225 VAL CA C 13 61.657 0.05 . . . . . . . 225 VAL CA . 50369 1 921 . 1 . 1 225 225 VAL CB C 13 31.910 0.05 . . . . . . . 225 VAL CB . 50369 1 922 . 1 . 1 225 225 VAL N N 15 122.330 0.05 . . . . . . . 225 VAL N . 50369 1 923 . 1 . 1 226 226 THR H H 1 7.745 0.01 . . . . . . . 226 THR H . 50369 1 924 . 1 . 1 226 226 THR C C 13 172.144 0.05 . . . . . . . 226 THR C . 50369 1 925 . 1 . 1 226 226 THR CA C 13 58.129 0.05 . . . . . . . 226 THR CA . 50369 1 926 . 1 . 1 226 226 THR CB C 13 70.012 0.05 . . . . . . . 226 THR CB . 50369 1 927 . 1 . 1 226 226 THR N N 15 117.849 0.05 . . . . . . . 226 THR N . 50369 1 stop_ save_