data_16003 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16003 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for brain abundant protein 1 (BASP1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-24 _Entry.Accession_date 2008-10-24 _Entry.Last_release_date 2008-12-03 _Entry.Original_release_date 2008-12-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andreas Schedlbauer . . . 16003 2 Georg Kontaxis . . . 16003 3 Robert Konrat . . . 16003 4 Klaus Bister . . . 16003 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16003 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 16003 '15N chemical shifts' 158 16003 '1H chemical shifts' 158 16003 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-12-03 2008-10-24 original author . 16003 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16003 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H 13C and 15N Assigned Chemical Backbone Shifts for BASP1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Andreas Schedlbauer . . . 16003 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16003 _Assembly.ID 1 _Assembly.Name BASP1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BASP1 1 $BASP1 A . yes native no no . . . 16003 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BASP1 _Entity.Sf_category entity _Entity.Sf_framecode BASP1 _Entity.Entry_ID 16003 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BASP1 _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 ; MGGKLSKKKKGYSVNDEKAK DKDKKAEGAATEEEETPKEA EDAQQTTETTEVKENNKEEK VEKDAQVSANKTEEKEGEKE KTVTQEEAQKAEPEKSEAVV DAKVEPQKNNEQAPKQEEPA AASAPAASSEAPKTSEPSSD AKASQPSEATAPSKADDKSK EEGEAKKTEAPATPAAQETK SEVAPASDSKPSSSEAAPSS KETVAATAAPSSTAKASDPS APPEEAKPSEAPATNSDQTI AVQD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 244 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAM77680 . "CAP23 [Gallus gallus]" . . . . . 100.00 244 100.00 100.00 1.06e-151 . . . . 16003 1 2 no REF NP_989447 . "brain acid soluble protein 1 homolog [Gallus gallus]" . . . . . 100.00 244 100.00 100.00 1.06e-151 . . . . 16003 1 3 no REF XP_003204865 . "PREDICTED: brain acid soluble protein 1 [Meleagris gallopavo]" . . . . . 100.00 244 98.77 99.18 6.06e-149 . . . . 16003 1 4 no SP P23614 . "RecName: Full=Brain acid soluble protein 1 homolog; AltName: Full=23 kDa cortical cytoskeleton-associated protein; Short=CAP-23" . . . . . 100.00 244 100.00 100.00 1.06e-151 . . . . 16003 1 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 . MET . 16003 1 2 . GLY . 16003 1 3 . GLY . 16003 1 4 . LYS . 16003 1 5 . LEU . 16003 1 6 . SER . 16003 1 7 . LYS . 16003 1 8 . LYS . 16003 1 9 . LYS . 16003 1 10 . LYS . 16003 1 11 . GLY . 16003 1 12 . TYR . 16003 1 13 . SER . 16003 1 14 . VAL . 16003 1 15 . ASN . 16003 1 16 . ASP . 16003 1 17 . GLU . 16003 1 18 . LYS . 16003 1 19 . ALA . 16003 1 20 . LYS . 16003 1 21 . ASP . 16003 1 22 . LYS . 16003 1 23 . ASP . 16003 1 24 . LYS . 16003 1 25 . LYS . 16003 1 26 . ALA . 16003 1 27 . GLU . 16003 1 28 . GLY . 16003 1 29 . ALA . 16003 1 30 . ALA . 16003 1 31 . THR . 16003 1 32 . GLU . 16003 1 33 . GLU . 16003 1 34 . GLU . 16003 1 35 . GLU . 16003 1 36 . THR . 16003 1 37 . PRO . 16003 1 38 . LYS . 16003 1 39 . GLU . 16003 1 40 . ALA . 16003 1 41 . GLU . 16003 1 42 . ASP . 16003 1 43 . ALA . 16003 1 44 . GLN . 16003 1 45 . GLN . 16003 1 46 . THR . 16003 1 47 . THR . 16003 1 48 . GLU . 16003 1 49 . THR . 16003 1 50 . THR . 16003 1 51 . GLU . 16003 1 52 . VAL . 16003 1 53 . LYS . 16003 1 54 . GLU . 16003 1 55 . ASN . 16003 1 56 . ASN . 16003 1 57 . LYS . 16003 1 58 . GLU . 16003 1 59 . GLU . 16003 1 60 . LYS . 16003 1 61 . VAL . 16003 1 62 . GLU . 16003 1 63 . LYS . 16003 1 64 . ASP . 16003 1 65 . ALA . 16003 1 66 . GLN . 16003 1 67 . VAL . 16003 1 68 . SER . 16003 1 69 . ALA . 16003 1 70 . ASN . 16003 1 71 . LYS . 16003 1 72 . THR . 16003 1 73 . GLU . 16003 1 74 . GLU . 16003 1 75 . LYS . 16003 1 76 . GLU . 16003 1 77 . GLY . 16003 1 78 . GLU . 16003 1 79 . LYS . 16003 1 80 . GLU . 16003 1 81 . LYS . 16003 1 82 . THR . 16003 1 83 . VAL . 16003 1 84 . THR . 16003 1 85 . GLN . 16003 1 86 . GLU . 16003 1 87 . GLU . 16003 1 88 . ALA . 16003 1 89 . GLN . 16003 1 90 . LYS . 16003 1 91 . ALA . 16003 1 92 . GLU . 16003 1 93 . PRO . 16003 1 94 . GLU . 16003 1 95 . LYS . 16003 1 96 . SER . 16003 1 97 . GLU . 16003 1 98 . ALA . 16003 1 99 . VAL . 16003 1 100 . VAL . 16003 1 101 . ASP . 16003 1 102 . ALA . 16003 1 103 . LYS . 16003 1 104 . VAL . 16003 1 105 . GLU . 16003 1 106 . PRO . 16003 1 107 . GLN . 16003 1 108 . LYS . 16003 1 109 . ASN . 16003 1 110 . ASN . 16003 1 111 . GLU . 16003 1 112 . GLN . 16003 1 113 . ALA . 16003 1 114 . PRO . 16003 1 115 . LYS . 16003 1 116 . GLN . 16003 1 117 . GLU . 16003 1 118 . GLU . 16003 1 119 . PRO . 16003 1 120 . ALA . 16003 1 121 . ALA . 16003 1 122 . ALA . 16003 1 123 . SER . 16003 1 124 . ALA . 16003 1 125 . PRO . 16003 1 126 . ALA . 16003 1 127 . ALA . 16003 1 128 . SER . 16003 1 129 . SER . 16003 1 130 . GLU . 16003 1 131 . ALA . 16003 1 132 . PRO . 16003 1 133 . LYS . 16003 1 134 . THR . 16003 1 135 . SER . 16003 1 136 . GLU . 16003 1 137 . PRO . 16003 1 138 . SER . 16003 1 139 . SER . 16003 1 140 . ASP . 16003 1 141 . ALA . 16003 1 142 . LYS . 16003 1 143 . ALA . 16003 1 144 . SER . 16003 1 145 . GLN . 16003 1 146 . PRO . 16003 1 147 . SER . 16003 1 148 . GLU . 16003 1 149 . ALA . 16003 1 150 . THR . 16003 1 151 . ALA . 16003 1 152 . PRO . 16003 1 153 . SER . 16003 1 154 . LYS . 16003 1 155 . ALA . 16003 1 156 . ASP . 16003 1 157 . ASP . 16003 1 158 . LYS . 16003 1 159 . SER . 16003 1 160 . LYS . 16003 1 161 . GLU . 16003 1 162 . GLU . 16003 1 163 . GLY . 16003 1 164 . GLU . 16003 1 165 . ALA . 16003 1 166 . LYS . 16003 1 167 . LYS . 16003 1 168 . THR . 16003 1 169 . GLU . 16003 1 170 . ALA . 16003 1 171 . PRO . 16003 1 172 . ALA . 16003 1 173 . THR . 16003 1 174 . PRO . 16003 1 175 . ALA . 16003 1 176 . ALA . 16003 1 177 . GLN . 16003 1 178 . GLU . 16003 1 179 . THR . 16003 1 180 . LYS . 16003 1 181 . SER . 16003 1 182 . GLU . 16003 1 183 . VAL . 16003 1 184 . ALA . 16003 1 185 . PRO . 16003 1 186 . ALA . 16003 1 187 . SER . 16003 1 188 . ASP . 16003 1 189 . SER . 16003 1 190 . LYS . 16003 1 191 . PRO . 16003 1 192 . SER . 16003 1 193 . SER . 16003 1 194 . SER . 16003 1 195 . GLU . 16003 1 196 . ALA . 16003 1 197 . ALA . 16003 1 198 . PRO . 16003 1 199 . SER . 16003 1 200 . SER . 16003 1 201 . LYS . 16003 1 202 . GLU . 16003 1 203 . THR . 16003 1 204 . VAL . 16003 1 205 . ALA . 16003 1 206 . ALA . 16003 1 207 . THR . 16003 1 208 . ALA . 16003 1 209 . ALA . 16003 1 210 . PRO . 16003 1 211 . SER . 16003 1 212 . SER . 16003 1 213 . THR . 16003 1 214 . ALA . 16003 1 215 . LYS . 16003 1 216 . ALA . 16003 1 217 . SER . 16003 1 218 . ASP . 16003 1 219 . PRO . 16003 1 220 . SER . 16003 1 221 . ALA . 16003 1 222 . PRO . 16003 1 223 . PRO . 16003 1 224 . GLU . 16003 1 225 . GLU . 16003 1 226 . ALA . 16003 1 227 . LYS . 16003 1 228 . PRO . 16003 1 229 . SER . 16003 1 230 . GLU . 16003 1 231 . ALA . 16003 1 232 . PRO . 16003 1 233 . ALA . 16003 1 234 . THR . 16003 1 235 . ASN . 16003 1 236 . SER . 16003 1 237 . ASP . 16003 1 238 . GLN . 16003 1 239 . THR . 16003 1 240 . ILE . 16003 1 241 . ALA . 16003 1 242 . VAL . 16003 1 243 . GLN . 16003 1 244 . ASP . 16003 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 16003 1 . GLY 2 2 16003 1 . GLY 3 3 16003 1 . LYS 4 4 16003 1 . LEU 5 5 16003 1 . SER 6 6 16003 1 . LYS 7 7 16003 1 . LYS 8 8 16003 1 . LYS 9 9 16003 1 . LYS 10 10 16003 1 . GLY 11 11 16003 1 . TYR 12 12 16003 1 . SER 13 13 16003 1 . VAL 14 14 16003 1 . ASN 15 15 16003 1 . ASP 16 16 16003 1 . GLU 17 17 16003 1 . LYS 18 18 16003 1 . ALA 19 19 16003 1 . LYS 20 20 16003 1 . ASP 21 21 16003 1 . LYS 22 22 16003 1 . ASP 23 23 16003 1 . LYS 24 24 16003 1 . LYS 25 25 16003 1 . ALA 26 26 16003 1 . GLU 27 27 16003 1 . GLY 28 28 16003 1 . ALA 29 29 16003 1 . ALA 30 30 16003 1 . THR 31 31 16003 1 . GLU 32 32 16003 1 . GLU 33 33 16003 1 . GLU 34 34 16003 1 . GLU 35 35 16003 1 . THR 36 36 16003 1 . PRO 37 37 16003 1 . LYS 38 38 16003 1 . GLU 39 39 16003 1 . ALA 40 40 16003 1 . GLU 41 41 16003 1 . ASP 42 42 16003 1 . ALA 43 43 16003 1 . GLN 44 44 16003 1 . GLN 45 45 16003 1 . THR 46 46 16003 1 . THR 47 47 16003 1 . GLU 48 48 16003 1 . THR 49 49 16003 1 . THR 50 50 16003 1 . GLU 51 51 16003 1 . VAL 52 52 16003 1 . LYS 53 53 16003 1 . GLU 54 54 16003 1 . ASN 55 55 16003 1 . ASN 56 56 16003 1 . LYS 57 57 16003 1 . GLU 58 58 16003 1 . GLU 59 59 16003 1 . LYS 60 60 16003 1 . VAL 61 61 16003 1 . GLU 62 62 16003 1 . LYS 63 63 16003 1 . ASP 64 64 16003 1 . ALA 65 65 16003 1 . GLN 66 66 16003 1 . VAL 67 67 16003 1 . SER 68 68 16003 1 . ALA 69 69 16003 1 . ASN 70 70 16003 1 . LYS 71 71 16003 1 . THR 72 72 16003 1 . GLU 73 73 16003 1 . GLU 74 74 16003 1 . LYS 75 75 16003 1 . GLU 76 76 16003 1 . GLY 77 77 16003 1 . GLU 78 78 16003 1 . LYS 79 79 16003 1 . GLU 80 80 16003 1 . LYS 81 81 16003 1 . THR 82 82 16003 1 . VAL 83 83 16003 1 . THR 84 84 16003 1 . GLN 85 85 16003 1 . GLU 86 86 16003 1 . GLU 87 87 16003 1 . ALA 88 88 16003 1 . GLN 89 89 16003 1 . LYS 90 90 16003 1 . ALA 91 91 16003 1 . GLU 92 92 16003 1 . PRO 93 93 16003 1 . GLU 94 94 16003 1 . LYS 95 95 16003 1 . SER 96 96 16003 1 . GLU 97 97 16003 1 . ALA 98 98 16003 1 . VAL 99 99 16003 1 . VAL 100 100 16003 1 . ASP 101 101 16003 1 . ALA 102 102 16003 1 . LYS 103 103 16003 1 . VAL 104 104 16003 1 . GLU 105 105 16003 1 . PRO 106 106 16003 1 . GLN 107 107 16003 1 . LYS 108 108 16003 1 . ASN 109 109 16003 1 . ASN 110 110 16003 1 . GLU 111 111 16003 1 . GLN 112 112 16003 1 . ALA 113 113 16003 1 . PRO 114 114 16003 1 . LYS 115 115 16003 1 . GLN 116 116 16003 1 . GLU 117 117 16003 1 . GLU 118 118 16003 1 . PRO 119 119 16003 1 . ALA 120 120 16003 1 . ALA 121 121 16003 1 . ALA 122 122 16003 1 . SER 123 123 16003 1 . ALA 124 124 16003 1 . PRO 125 125 16003 1 . ALA 126 126 16003 1 . ALA 127 127 16003 1 . SER 128 128 16003 1 . SER 129 129 16003 1 . GLU 130 130 16003 1 . ALA 131 131 16003 1 . PRO 132 132 16003 1 . LYS 133 133 16003 1 . THR 134 134 16003 1 . SER 135 135 16003 1 . GLU 136 136 16003 1 . PRO 137 137 16003 1 . SER 138 138 16003 1 . SER 139 139 16003 1 . ASP 140 140 16003 1 . ALA 141 141 16003 1 . LYS 142 142 16003 1 . ALA 143 143 16003 1 . SER 144 144 16003 1 . GLN 145 145 16003 1 . PRO 146 146 16003 1 . SER 147 147 16003 1 . GLU 148 148 16003 1 . ALA 149 149 16003 1 . THR 150 150 16003 1 . ALA 151 151 16003 1 . PRO 152 152 16003 1 . SER 153 153 16003 1 . LYS 154 154 16003 1 . ALA 155 155 16003 1 . ASP 156 156 16003 1 . ASP 157 157 16003 1 . LYS 158 158 16003 1 . SER 159 159 16003 1 . LYS 160 160 16003 1 . GLU 161 161 16003 1 . GLU 162 162 16003 1 . GLY 163 163 16003 1 . GLU 164 164 16003 1 . ALA 165 165 16003 1 . LYS 166 166 16003 1 . LYS 167 167 16003 1 . THR 168 168 16003 1 . GLU 169 169 16003 1 . ALA 170 170 16003 1 . PRO 171 171 16003 1 . ALA 172 172 16003 1 . THR 173 173 16003 1 . PRO 174 174 16003 1 . ALA 175 175 16003 1 . ALA 176 176 16003 1 . GLN 177 177 16003 1 . GLU 178 178 16003 1 . THR 179 179 16003 1 . LYS 180 180 16003 1 . SER 181 181 16003 1 . GLU 182 182 16003 1 . VAL 183 183 16003 1 . ALA 184 184 16003 1 . PRO 185 185 16003 1 . ALA 186 186 16003 1 . SER 187 187 16003 1 . ASP 188 188 16003 1 . SER 189 189 16003 1 . LYS 190 190 16003 1 . PRO 191 191 16003 1 . SER 192 192 16003 1 . SER 193 193 16003 1 . SER 194 194 16003 1 . GLU 195 195 16003 1 . ALA 196 196 16003 1 . ALA 197 197 16003 1 . PRO 198 198 16003 1 . SER 199 199 16003 1 . SER 200 200 16003 1 . LYS 201 201 16003 1 . GLU 202 202 16003 1 . THR 203 203 16003 1 . VAL 204 204 16003 1 . ALA 205 205 16003 1 . ALA 206 206 16003 1 . THR 207 207 16003 1 . ALA 208 208 16003 1 . ALA 209 209 16003 1 . PRO 210 210 16003 1 . SER 211 211 16003 1 . SER 212 212 16003 1 . THR 213 213 16003 1 . ALA 214 214 16003 1 . LYS 215 215 16003 1 . ALA 216 216 16003 1 . SER 217 217 16003 1 . ASP 218 218 16003 1 . PRO 219 219 16003 1 . SER 220 220 16003 1 . ALA 221 221 16003 1 . PRO 222 222 16003 1 . PRO 223 223 16003 1 . GLU 224 224 16003 1 . GLU 225 225 16003 1 . ALA 226 226 16003 1 . LYS 227 227 16003 1 . PRO 228 228 16003 1 . SER 229 229 16003 1 . GLU 230 230 16003 1 . ALA 231 231 16003 1 . PRO 232 232 16003 1 . ALA 233 233 16003 1 . THR 234 234 16003 1 . ASN 235 235 16003 1 . SER 236 236 16003 1 . ASP 237 237 16003 1 . GLN 238 238 16003 1 . THR 239 239 16003 1 . ILE 240 240 16003 1 . ALA 241 241 16003 1 . VAL 242 242 16003 1 . GLN 243 243 16003 1 . ASP 244 244 16003 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16003 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BASP1 . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 16003 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16003 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BASP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pBR322 . . . . . . 16003 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16003 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BASP1 '[U-13C; U-15N]' . . 1 $BASP1 . . 2.0 . . mM . . . . 16003 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16003 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16003 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 16003 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 16003 1 pH 6.5 . pH 16003 1 pressure 1 . atm 16003 1 temperature 298 . K 16003 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16003 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16003 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16003 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16003 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16003 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16003 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 16003 1 2 spectrometer_2 Varian INOVA . 500 . . . 16003 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16003 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16003 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16003 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16003 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16003 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16003 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16003 1 7 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16003 1 8 '3D HNCN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16003 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16003 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16003 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16003 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16003 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16003 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16003 1 2 '3D CBCA(CO)NH' . . . 16003 1 3 '3D HNCACB' . . . 16003 1 7 '3D HNN' . . . 16003 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 10 10 LYS H H 1 8.417 0.01 . 1 . . . . 10 K HN . 16003 1 2 . 1 1 10 10 LYS C C 13 176.900 0.4 . 1 . . . . 10 K C . 16003 1 3 . 1 1 10 10 LYS CA C 13 56.620 0.4 . 1 . . . . 10 K CA . 16003 1 4 . 1 1 10 10 LYS CB C 13 33.190 0.4 . 1 . . . . 10 K CB . 16003 1 5 . 1 1 10 10 LYS N N 15 123.300 0.1 . 1 . . . . 10 K N . 16003 1 6 . 1 1 11 11 GLY H H 1 8.457 0.01 . 1 . . . . 11 G HN . 16003 1 7 . 1 1 11 11 GLY C C 13 173.600 0.4 . 1 . . . . 11 G C . 16003 1 8 . 1 1 11 11 GLY CA C 13 45.090 0.4 . 1 . . . . 11 G CA . 16003 1 9 . 1 1 11 11 GLY N N 15 110.600 0.1 . 1 . . . . 11 G N . 16003 1 10 . 1 1 12 12 TYR H H 1 8.055 0.01 . 1 . . . . 12 Y HN . 16003 1 11 . 1 1 12 12 TYR C C 13 175.700 0.4 . 1 . . . . 12 Y C . 16003 1 12 . 1 1 12 12 TYR CA C 13 57.920 0.4 . 1 . . . . 12 Y CA . 16003 1 13 . 1 1 12 12 TYR CB C 13 39.260 0.4 . 1 . . . . 12 Y CB . 16003 1 14 . 1 1 12 12 TYR N N 15 120.100 0.1 . 1 . . . . 12 Y N . 16003 1 15 . 1 1 13 13 SER H H 1 8.312 0.01 . 1 . . . . 13 S HN . 16003 1 16 . 1 1 13 13 SER CA C 13 57.800 0.4 . 1 . . . . 13 S CA . 16003 1 17 . 1 1 13 13 SER CB C 13 64.180 0.4 . 1 . . . . 13 S CB . 16003 1 18 . 1 1 13 13 SER N N 15 118.500 0.1 . 1 . . . . 13 S N . 16003 1 19 . 1 1 14 14 VAL H H 1 8.229 0.01 . 1 . . . . 14 V HN . 16003 1 20 . 1 1 14 14 VAL C C 13 176.000 0.4 . 1 . . . . 14 V C . 16003 1 21 . 1 1 14 14 VAL CA C 13 62.730 0.4 . 1 . . . . 14 V CA . 16003 1 22 . 1 1 14 14 VAL CB C 13 32.960 0.4 . 1 . . . . 14 V CB . 16003 1 23 . 1 1 14 14 VAL N N 15 121.800 0.1 . 1 . . . . 14 V N . 16003 1 24 . 1 1 15 15 ASN H H 1 8.398 0.01 . 1 . . . . 15 N HN . 16003 1 25 . 1 1 15 15 ASN C C 13 175.000 0.4 . 1 . . . . 15 N C . 16003 1 26 . 1 1 15 15 ASN CA C 13 53.330 0.4 . 1 . . . . 15 N CA . 16003 1 27 . 1 1 15 15 ASN CB C 13 38.920 0.4 . 1 . . . . 15 N CB . 16003 1 28 . 1 1 15 15 ASN N N 15 121.000 0.1 . 1 . . . . 15 N N . 16003 1 29 . 1 1 18 18 LYS H H 1 8.247 0.01 . 1 . . . . 18 K HN . 16003 1 30 . 1 1 18 18 LYS C C 13 176.800 0.4 . 1 . . . . 18 K C . 16003 1 31 . 1 1 18 18 LYS CA C 13 56.630 0.4 . 1 . . . . 18 K CA . 16003 1 32 . 1 1 18 18 LYS CB C 13 32.830 0.4 . 1 . . . . 18 K CB . 16003 1 33 . 1 1 18 18 LYS N N 15 121.000 0.1 . 1 . . . . 18 K N . 16003 1 34 . 1 1 19 19 ALA H H 1 8.100 0.01 . 1 . . . . 19 A HN . 16003 1 35 . 1 1 19 19 ALA C C 13 178.000 0.4 . 1 . . . . 19 A C . 16003 1 36 . 1 1 19 19 ALA CA C 13 52.910 0.4 . 1 . . . . 19 A CA . 16003 1 37 . 1 1 19 19 ALA CB C 13 19.250 0.4 . 1 . . . . 19 A CB . 16003 1 38 . 1 1 19 19 ALA N N 15 124.200 0.1 . 1 . . . . 19 A N . 16003 1 39 . 1 1 20 20 LYS H H 1 8.175 0.01 . 1 . . . . 20 K HN . 16003 1 40 . 1 1 20 20 LYS C C 13 176.700 0.4 . 1 . . . . 20 K C . 16003 1 41 . 1 1 20 20 LYS CA C 13 56.680 0.4 . 1 . . . . 20 K CA . 16003 1 42 . 1 1 20 20 LYS CB C 13 32.900 0.4 . 1 . . . . 20 K CB . 16003 1 43 . 1 1 20 20 LYS N N 15 120.000 0.1 . 1 . . . . 20 K N . 16003 1 44 . 1 1 21 21 ASP H H 1 8.255 0.01 . 1 . . . . 21 D HN . 16003 1 45 . 1 1 21 21 ASP CA C 13 54.730 0.4 . 1 . . . . 21 D CA . 16003 1 46 . 1 1 21 21 ASP CB C 13 41.190 0.4 . 1 . . . . 21 D CB . 16003 1 47 . 1 1 21 21 ASP N N 15 120.800 0.1 . 1 . . . . 21 D N . 16003 1 48 . 1 1 23 23 ASP H H 1 8.294 0.01 . 1 . . . . 23 D HN . 16003 1 49 . 1 1 23 23 ASP C C 13 176.300 0.4 . 1 . . . . 23 D C . 16003 1 50 . 1 1 23 23 ASP CA C 13 54.650 0.4 . 1 . . . . 23 D CA . 16003 1 51 . 1 1 23 23 ASP CB C 13 41.130 0.4 . 1 . . . . 23 D CB . 16003 1 52 . 1 1 23 23 ASP N N 15 120.500 0.1 . 1 . . . . 23 D N . 16003 1 53 . 1 1 24 24 LYS H H 1 8.074 0.01 . 1 . . . . 24 K HN . 16003 1 54 . 1 1 24 24 LYS C C 13 176.800 0.4 . 1 . . . . 24 K C . 16003 1 55 . 1 1 24 24 LYS CA C 13 56.610 0.4 . 1 . . . . 24 K CA . 16003 1 56 . 1 1 24 24 LYS CB C 13 32.870 0.4 . 1 . . . . 24 K CB . 16003 1 57 . 1 1 24 24 LYS N N 15 121.600 0.1 . 1 . . . . 24 K N . 16003 1 58 . 1 1 27 27 GLU H H 1 8.374 0.01 . 1 . . . . 27 E HN . 16003 1 59 . 1 1 27 27 GLU C C 13 177.100 0.4 . 1 . . . . 27 E C . 16003 1 60 . 1 1 27 27 GLU CA C 13 56.860 0.4 . 1 . . . . 27 E CA . 16003 1 61 . 1 1 27 27 GLU CB C 13 30.380 0.4 . 1 . . . . 27 E CB . 16003 1 62 . 1 1 27 27 GLU N N 15 120.500 0.1 . 1 . . . . 27 E N . 16003 1 63 . 1 1 28 28 GLY H H 1 8.414 0.01 . 1 . . . . 28 G HN . 16003 1 64 . 1 1 28 28 GLY C C 13 173.800 0.4 . 1 . . . . 28 G C . 16003 1 65 . 1 1 28 28 GLY CA C 13 45.310 0.4 . 1 . . . . 28 G CA . 16003 1 66 . 1 1 28 28 GLY N N 15 110.100 0.1 . 1 . . . . 28 G N . 16003 1 67 . 1 1 29 29 ALA H H 1 8.100 0.01 . 1 . . . . 29 A HN . 16003 1 68 . 1 1 29 29 ALA C C 13 177.500 0.4 . 1 . . . . 29 A C . 16003 1 69 . 1 1 29 29 ALA CA C 13 52.370 0.4 . 1 . . . . 29 A CA . 16003 1 70 . 1 1 29 29 ALA CB C 13 19.440 0.4 . 1 . . . . 29 A CB . 16003 1 71 . 1 1 29 29 ALA N N 15 123.700 0.1 . 1 . . . . 29 A N . 16003 1 72 . 1 1 30 30 ALA H H 1 8.356 0.01 . 1 . . . . 30 A HN . 16003 1 73 . 1 1 30 30 ALA C C 13 178.000 0.4 . 1 . . . . 30 A C . 16003 1 74 . 1 1 30 30 ALA CA C 13 52.500 0.4 . 1 . . . . 30 A CA . 16003 1 75 . 1 1 30 30 ALA CB C 13 19.320 0.4 . 1 . . . . 30 A CB . 16003 1 76 . 1 1 30 30 ALA N N 15 123.600 0.1 . 1 . . . . 30 A N . 16003 1 77 . 1 1 31 31 THR H H 1 8.129 0.01 . 1 . . . . 31 T HN . 16003 1 78 . 1 1 31 31 THR C C 13 174.600 0.4 . 1 . . . . 31 T C . 16003 1 79 . 1 1 31 31 THR CA C 13 61.800 0.4 . 1 . . . . 31 T CA . 16003 1 80 . 1 1 31 31 THR CB C 13 69.880 0.4 . 1 . . . . 31 T CB . 16003 1 81 . 1 1 31 31 THR N N 15 113.300 0.1 . 1 . . . . 31 T N . 16003 1 82 . 1 1 32 32 GLU H H 1 8.447 0.01 . 1 . . . . 32 E HN . 16003 1 83 . 1 1 32 32 GLU CA C 13 56.560 0.4 . 1 . . . . 32 E CA . 16003 1 84 . 1 1 32 32 GLU CB C 13 30.450 0.4 . 1 . . . . 32 E CB . 16003 1 85 . 1 1 32 32 GLU N N 15 122.900 0.1 . 1 . . . . 32 E N . 16003 1 86 . 1 1 33 33 GLU H H 1 8.397 0.01 . 1 . . . . 33 E HN . 16003 1 87 . 1 1 33 33 GLU CA C 13 56.720 0.4 . 1 . . . . 33 E CA . 16003 1 88 . 1 1 33 33 GLU CB C 13 30.440 0.4 . 1 . . . . 33 E CB . 16003 1 89 . 1 1 33 33 GLU N N 15 121.800 0.1 . 1 . . . . 33 E N . 16003 1 90 . 1 1 35 35 GLU H H 1 8.442 0.01 . 1 . . . . 35 E HN . 16003 1 91 . 1 1 35 35 GLU C C 13 176.400 0.4 . 1 . . . . 35 E C . 16003 1 92 . 1 1 35 35 GLU CA C 13 56.540 0.4 . 1 . . . . 35 E CA . 16003 1 93 . 1 1 35 35 GLU CB C 13 30.100 0.4 . 1 . . . . 35 E CB . 16003 1 94 . 1 1 35 35 GLU N N 15 122.600 0.1 . 1 . . . . 35 E N . 16003 1 95 . 1 1 36 36 THR H H 1 8.306 0.01 . 1 . . . . 36 T HN . 16003 1 96 . 1 1 36 36 THR C C 13 172.700 0.4 . 1 . . . . 36 T C . 16003 1 97 . 1 1 36 36 THR CA C 13 60.040 0.4 . 1 . . . . 36 T CA . 16003 1 98 . 1 1 36 36 THR CB C 13 69.760 0.4 . 1 . . . . 36 T CB . 16003 1 99 . 1 1 36 36 THR N N 15 118.800 0.1 . 1 . . . . 36 T N . 16003 1 100 . 1 1 40 40 ALA H H 1 8.353 0.01 . 1 . . . . 40 A HN . 16003 1 101 . 1 1 40 40 ALA C C 13 177.900 0.4 . 1 . . . . 40 A C . 16003 1 102 . 1 1 40 40 ALA CA C 13 52.660 0.4 . 1 . . . . 40 A CA . 16003 1 103 . 1 1 40 40 ALA CB C 13 19.360 0.4 . 1 . . . . 40 A CB . 16003 1 104 . 1 1 40 40 ALA N N 15 125.100 0.1 . 1 . . . . 40 A N . 16003 1 105 . 1 1 41 41 GLU H H 1 8.422 0.01 . 1 . . . . 41 E HN . 16003 1 106 . 1 1 41 41 GLU C C 13 176.500 0.4 . 1 . . . . 41 E C . 16003 1 107 . 1 1 41 41 GLU CA C 13 56.890 0.4 . 1 . . . . 41 E CA . 16003 1 108 . 1 1 41 41 GLU CB C 13 30.410 0.4 . 1 . . . . 41 E CB . 16003 1 109 . 1 1 41 41 GLU N N 15 120.400 0.1 . 1 . . . . 41 E N . 16003 1 110 . 1 1 42 42 ASP H H 1 8.353 0.01 . 1 . . . . 42 D HN . 16003 1 111 . 1 1 42 42 ASP C C 13 176.200 0.4 . 1 . . . . 42 D C . 16003 1 112 . 1 1 42 42 ASP CA C 13 54.370 0.4 . 1 . . . . 42 D CA . 16003 1 113 . 1 1 42 42 ASP CB C 13 41.120 0.4 . 1 . . . . 42 D CB . 16003 1 114 . 1 1 42 42 ASP N N 15 121.200 0.1 . 1 . . . . 42 D N . 16003 1 115 . 1 1 43 43 ALA H H 1 8.178 0.01 . 1 . . . . 43 A HN . 16003 1 116 . 1 1 43 43 ALA C C 13 177.900 0.4 . 1 . . . . 43 A C . 16003 1 117 . 1 1 43 43 ALA CA C 13 52.840 0.4 . 1 . . . . 43 A CA . 16003 1 118 . 1 1 43 43 ALA CB C 13 19.230 0.4 . 1 . . . . 43 A CB . 16003 1 119 . 1 1 43 43 ALA N N 15 124.300 0.1 . 1 . . . . 43 A N . 16003 1 120 . 1 1 44 44 GLN H H 1 8.329 0.01 . 1 . . . . 44 Q HN . 16003 1 121 . 1 1 44 44 GLN C C 13 176.100 0.4 . 1 . . . . 44 Q C . 16003 1 122 . 1 1 44 44 GLN CA C 13 56.010 0.4 . 1 . . . . 44 Q CA . 16003 1 123 . 1 1 44 44 GLN CB C 13 29.460 0.4 . 1 . . . . 44 Q CB . 16003 1 124 . 1 1 44 44 GLN N N 15 119.000 0.1 . 1 . . . . 44 Q N . 16003 1 125 . 1 1 45 45 GLN H H 1 8.369 0.01 . 1 . . . . 45 Q HN . 16003 1 126 . 1 1 45 45 GLN CA C 13 55.950 0.4 . 1 . . . . 45 Q CA . 16003 1 127 . 1 1 45 45 GLN N N 15 121.300 0.1 . 1 . . . . 45 Q N . 16003 1 128 . 1 1 46 46 THR H H 1 8.295 0.01 . 1 . . . . 46 T HN . 16003 1 129 . 1 1 46 46 THR C C 13 174.600 0.4 . 1 . . . . 46 T C . 16003 1 130 . 1 1 46 46 THR CA C 13 61.790 0.4 . 1 . . . . 46 T CA . 16003 1 131 . 1 1 46 46 THR CB C 13 69.800 0.4 . 1 . . . . 46 T CB . 16003 1 132 . 1 1 46 46 THR N N 15 115.700 0.1 . 1 . . . . 46 T N . 16003 1 133 . 1 1 47 47 THR H H 1 8.239 0.01 . 1 . . . . 47 T HN . 16003 1 134 . 1 1 47 47 THR C C 13 174.500 0.4 . 1 . . . . 47 T C . 16003 1 135 . 1 1 47 47 THR CA C 13 62.040 0.4 . 1 . . . . 47 T CA . 16003 1 136 . 1 1 47 47 THR CB C 13 69.830 0.4 . 1 . . . . 47 T CB . 16003 1 137 . 1 1 47 47 THR N N 15 116.500 0.1 . 1 . . . . 47 T N . 16003 1 138 . 1 1 48 48 GLU H H 1 8.503 0.01 . 1 . . . . 48 E HN . 16003 1 139 . 1 1 48 48 GLU C C 13 176.600 0.4 . 1 . . . . 48 E C . 16003 1 140 . 1 1 48 48 GLU CA C 13 56.660 0.4 . 1 . . . . 48 E CA . 16003 1 141 . 1 1 48 48 GLU CB C 13 29.540 0.4 . 1 . . . . 48 E CB . 16003 1 142 . 1 1 48 48 GLU N N 15 123.700 0.1 . 1 . . . . 48 E N . 16003 1 143 . 1 1 49 49 THR H H 1 8.284 0.01 . 1 . . . . 49 T HN . 16003 1 144 . 1 1 49 49 THR C C 13 174.700 0.4 . 1 . . . . 49 T C . 16003 1 145 . 1 1 49 49 THR CA C 13 61.790 0.4 . 1 . . . . 49 T CA . 16003 1 146 . 1 1 49 49 THR CB C 13 69.690 0.4 . 1 . . . . 49 T CB . 16003 1 147 . 1 1 49 49 THR N N 15 115.700 0.1 . 1 . . . . 49 T N . 16003 1 148 . 1 1 50 50 THR H H 1 8.223 0.01 . 1 . . . . 50 T HN . 16003 1 149 . 1 1 50 50 THR CA C 13 62.000 0.4 . 1 . . . . 50 T CA . 16003 1 150 . 1 1 50 50 THR CB C 13 69.730 0.4 . 1 . . . . 50 T CB . 16003 1 151 . 1 1 50 50 THR N N 15 116.600 0.1 . 1 . . . . 50 T N . 16003 1 152 . 1 1 51 51 GLU H H 1 8.407 0.01 . 1 . . . . 51 E HN . 16003 1 153 . 1 1 51 51 GLU C C 13 176.200 0.4 . 1 . . . . 51 E C . 16003 1 154 . 1 1 51 51 GLU CA C 13 56.410 0.4 . 1 . . . . 51 E CA . 16003 1 155 . 1 1 51 51 GLU CB C 13 30.340 0.4 . 1 . . . . 51 E CB . 16003 1 156 . 1 1 51 51 GLU N N 15 123.900 0.1 . 1 . . . . 51 E N . 16003 1 157 . 1 1 52 52 VAL H H 1 8.256 0.01 . 1 . . . . 52 V HN . 16003 1 158 . 1 1 52 52 VAL C C 13 176.200 0.4 . 1 . . . . 52 V C . 16003 1 159 . 1 1 52 52 VAL CA C 13 62.440 0.4 . 1 . . . . 52 V CA . 16003 1 160 . 1 1 52 52 VAL CB C 13 32.770 0.4 . 1 . . . . 52 V CB . 16003 1 161 . 1 1 52 52 VAL N N 15 122.800 0.1 . 1 . . . . 52 V N . 16003 1 162 . 1 1 53 53 LYS H H 1 8.437 0.01 . 1 . . . . 53 K HN . 16003 1 163 . 1 1 53 53 LYS C C 13 176.500 0.4 . 1 . . . . 53 K C . 16003 1 164 . 1 1 53 53 LYS CA C 13 56.180 0.4 . 1 . . . . 53 K CA . 16003 1 165 . 1 1 53 53 LYS CB C 13 33.090 0.4 . 1 . . . . 53 K CB . 16003 1 166 . 1 1 53 53 LYS N N 15 125.900 0.1 . 1 . . . . 53 K N . 16003 1 167 . 1 1 54 54 GLU H H 1 8.476 0.01 . 1 . . . . 54 E HN . 16003 1 168 . 1 1 54 54 GLU C C 13 176.200 0.4 . 1 . . . . 54 E C . 16003 1 169 . 1 1 54 54 GLU CA C 13 56.470 0.4 . 1 . . . . 54 E CA . 16003 1 170 . 1 1 54 54 GLU CB C 13 30.210 0.4 . 1 . . . . 54 E CB . 16003 1 171 . 1 1 54 54 GLU N N 15 122.200 0.1 . 1 . . . . 54 E N . 16003 1 172 . 1 1 55 55 ASN H H 1 8.495 0.01 . 1 . . . . 55 N HN . 16003 1 173 . 1 1 55 55 ASN C C 13 174.900 0.4 . 1 . . . . 55 N C . 16003 1 174 . 1 1 55 55 ASN CA C 13 53.330 0.4 . 1 . . . . 55 N CA . 16003 1 175 . 1 1 55 55 ASN CB C 13 38.920 0.4 . 1 . . . . 55 N CB . 16003 1 176 . 1 1 55 55 ASN N N 15 119.800 0.1 . 1 . . . . 55 N N . 16003 1 177 . 1 1 56 56 ASN H H 1 8.465 0.01 . 1 . . . . 56 N HN . 16003 1 178 . 1 1 56 56 ASN C C 13 175.300 0.4 . 1 . . . . 56 N C . 16003 1 179 . 1 1 56 56 ASN CA C 13 53.430 0.4 . 1 . . . . 56 N CA . 16003 1 180 . 1 1 56 56 ASN CB C 13 38.920 0.4 . 1 . . . . 56 N CB . 16003 1 181 . 1 1 56 56 ASN N N 15 119.300 0.1 . 1 . . . . 56 N N . 16003 1 182 . 1 1 60 60 LYS H H 1 8.383 0.01 . 1 . . . . 60 K HN . 16003 1 183 . 1 1 60 60 LYS C C 13 176.300 0.4 . 1 . . . . 60 K C . 16003 1 184 . 1 1 60 60 LYS CA C 13 56.200 0.4 . 1 . . . . 60 K CA . 16003 1 185 . 1 1 60 60 LYS CB C 13 33.140 0.4 . 1 . . . . 60 K CB . 16003 1 186 . 1 1 60 60 LYS N N 15 123.100 0.1 . 1 . . . . 60 K N . 16003 1 187 . 1 1 61 61 VAL H H 1 8.197 0.01 . 1 . . . . 61 V HN . 16003 1 188 . 1 1 61 61 VAL C C 13 176.200 0.4 . 1 . . . . 61 V C . 16003 1 189 . 1 1 61 61 VAL CA C 13 62.390 0.4 . 1 . . . . 61 V CA . 16003 1 190 . 1 1 61 61 VAL CB C 13 32.960 0.4 . 1 . . . . 61 V CB . 16003 1 191 . 1 1 61 61 VAL N N 15 122.100 0.1 . 1 . . . . 61 V N . 16003 1 192 . 1 1 62 62 GLU H H 1 8.514 0.01 . 1 . . . . 62 E HN . 16003 1 193 . 1 1 62 62 GLU C C 13 176.500 0.4 . 1 . . . . 62 E C . 16003 1 194 . 1 1 62 62 GLU CA C 13 56.470 0.4 . 1 . . . . 62 E CA . 16003 1 195 . 1 1 62 62 GLU CB C 13 30.290 0.4 . 1 . . . . 62 E CB . 16003 1 196 . 1 1 62 62 GLU N N 15 125.200 0.1 . 1 . . . . 62 E N . 16003 1 197 . 1 1 63 63 LYS H H 1 8.397 0.01 . 1 . . . . 63 K HN . 16003 1 198 . 1 1 63 63 LYS CA C 13 56.440 0.4 . 1 . . . . 63 K CA . 16003 1 199 . 1 1 63 63 LYS CB C 13 33.150 0.4 . 1 . . . . 63 K CB . 16003 1 200 . 1 1 63 63 LYS N N 15 122.800 0.1 . 1 . . . . 63 K N . 16003 1 201 . 1 1 67 67 VAL H H 1 8.105 0.01 . 1 . . . . 67 V HN . 16003 1 202 . 1 1 67 67 VAL C C 13 176.400 0.4 . 1 . . . . 67 V C . 16003 1 203 . 1 1 67 67 VAL CA C 13 62.600 0.4 . 1 . . . . 67 V CA . 16003 1 204 . 1 1 67 67 VAL CB C 13 32.870 0.4 . 1 . . . . 67 V CB . 16003 1 205 . 1 1 67 67 VAL N N 15 120.900 0.1 . 1 . . . . 67 V N . 16003 1 206 . 1 1 68 68 SER H H 1 8.360 0.01 . 1 . . . . 68 S HN . 16003 1 207 . 1 1 68 68 SER C C 13 174.400 0.4 . 1 . . . . 68 S C . 16003 1 208 . 1 1 68 68 SER CA C 13 58.410 0.4 . 1 . . . . 68 S CA . 16003 1 209 . 1 1 68 68 SER CB C 13 63.780 0.4 . 1 . . . . 68 S CB . 16003 1 210 . 1 1 68 68 SER N N 15 119.200 0.1 . 1 . . . . 68 S N . 16003 1 211 . 1 1 69 69 ALA H H 1 8.336 0.01 . 1 . . . . 69 A HN . 16003 1 212 . 1 1 69 69 ALA C C 13 179.400 0.4 . 1 . . . . 69 A C . 16003 1 213 . 1 1 69 69 ALA CA C 13 52.650 0.4 . 1 . . . . 69 A CA . 16003 1 214 . 1 1 69 69 ALA CB C 13 19.380 0.4 . 1 . . . . 69 A CB . 16003 1 215 . 1 1 69 69 ALA N N 15 126.000 0.1 . 1 . . . . 69 A N . 16003 1 216 . 1 1 70 70 ASN H H 1 8.336 0.01 . 1 . . . . 70 N HN . 16003 1 217 . 1 1 70 70 ASN C C 13 175.200 0.4 . 1 . . . . 70 N C . 16003 1 218 . 1 1 70 70 ASN CA C 13 53.320 0.4 . 1 . . . . 70 N CA . 16003 1 219 . 1 1 70 70 ASN CB C 13 38.910 0.4 . 1 . . . . 70 N CB . 16003 1 220 . 1 1 70 70 ASN N N 15 117.700 0.1 . 1 . . . . 70 N N . 16003 1 221 . 1 1 71 71 LYS H H 1 8.281 0.01 . 1 . . . . 71 K HN . 16003 1 222 . 1 1 71 71 LYS C C 13 176.700 0.4 . 1 . . . . 71 K C . 16003 1 223 . 1 1 71 71 LYS CA C 13 56.570 0.4 . 1 . . . . 71 K CA . 16003 1 224 . 1 1 71 71 LYS CB C 13 33.150 0.4 . 1 . . . . 71 K CB . 16003 1 225 . 1 1 71 71 LYS N N 15 121.900 0.1 . 1 . . . . 71 K N . 16003 1 226 . 1 1 72 72 THR H H 1 8.222 0.01 . 1 . . . . 72 T HN . 16003 1 227 . 1 1 72 72 THR C C 13 174.500 0.4 . 1 . . . . 72 T C . 16003 1 228 . 1 1 72 72 THR CA C 13 62.160 0.4 . 1 . . . . 72 T CA . 16003 1 229 . 1 1 72 72 THR CB C 13 69.780 0.4 . 1 . . . . 72 T CB . 16003 1 230 . 1 1 72 72 THR N N 15 116.000 0.1 . 1 . . . . 72 T N . 16003 1 231 . 1 1 76 76 GLU H H 1 8.506 0.01 . 1 . . . . 76 E HN . 16003 1 232 . 1 1 76 76 GLU C C 13 177.100 0.4 . 1 . . . . 76 E C . 16003 1 233 . 1 1 76 76 GLU CA C 13 57.070 0.4 . 1 . . . . 76 E CA . 16003 1 234 . 1 1 76 76 GLU CB C 13 30.180 0.4 . 1 . . . . 76 E CB . 16003 1 235 . 1 1 76 76 GLU N N 15 122.400 0.1 . 1 . . . . 76 E N . 16003 1 236 . 1 1 77 77 GLY H H 1 8.481 0.01 . 1 . . . . 77 G HN . 16003 1 237 . 1 1 77 77 GLY C C 13 174.200 0.4 . 1 . . . . 77 G C . 16003 1 238 . 1 1 77 77 GLY CA C 13 45.380 0.4 . 1 . . . . 77 G CA . 16003 1 239 . 1 1 77 77 GLY N N 15 110.200 0.1 . 1 . . . . 77 G N . 16003 1 240 . 1 1 78 78 GLU H H 1 8.218 0.01 . 1 . . . . 78 E HN . 16003 1 241 . 1 1 78 78 GLU CA C 13 56.620 0.4 . 1 . . . . 78 E CA . 16003 1 242 . 1 1 78 78 GLU CB C 13 30.440 0.4 . 1 . . . . 78 E CB . 16003 1 243 . 1 1 78 78 GLU N N 15 120.700 0.1 . 1 . . . . 78 E N . 16003 1 244 . 1 1 82 82 THR H H 1 8.241 0.01 . 1 . . . . 82 T HN . 16003 1 245 . 1 1 82 82 THR C C 13 174.500 0.4 . 1 . . . . 82 T C . 16003 1 246 . 1 1 82 82 THR CA C 13 62.000 0.4 . 1 . . . . 82 T CA . 16003 1 247 . 1 1 82 82 THR CB C 13 69.830 0.4 . 1 . . . . 82 T CB . 16003 1 248 . 1 1 82 82 THR N N 15 116.700 0.1 . 1 . . . . 82 T N . 16003 1 249 . 1 1 83 83 VAL H H 1 8.262 0.01 . 1 . . . . 83 V HN . 16003 1 250 . 1 1 83 83 VAL C C 13 176.300 0.4 . 1 . . . . 83 V C . 16003 1 251 . 1 1 83 83 VAL CA C 13 62.350 0.4 . 1 . . . . 83 V CA . 16003 1 252 . 1 1 83 83 VAL CB C 13 32.950 0.4 . 1 . . . . 83 V CB . 16003 1 253 . 1 1 83 83 VAL N N 15 123.000 0.1 . 1 . . . . 83 V N . 16003 1 254 . 1 1 84 84 THR H H 1 8.293 0.01 . 1 . . . . 84 T HN . 16003 1 255 . 1 1 84 84 THR C C 13 174.600 0.4 . 1 . . . . 84 T C . 16003 1 256 . 1 1 84 84 THR CA C 13 61.990 0.4 . 1 . . . . 84 T CA . 16003 1 257 . 1 1 84 84 THR CB C 13 69.780 0.4 . 1 . . . . 84 T CB . 16003 1 258 . 1 1 84 84 THR N N 15 118.400 0.1 . 1 . . . . 84 T N . 16003 1 259 . 1 1 85 85 GLN H H 1 8.484 0.01 . 1 . . . . 85 Q HN . 16003 1 260 . 1 1 85 85 GLN CA C 13 55.700 0.4 . 1 . . . . 85 Q CA . 16003 1 261 . 1 1 85 85 GLN CB C 13 29.500 0.4 . 1 . . . . 85 Q CB . 16003 1 262 . 1 1 85 85 GLN N N 15 122.900 0.1 . 1 . . . . 85 Q N . 16003 1 263 . 1 1 87 87 GLU H H 1 8.389 0.01 . 1 . . . . 87 E HN . 16003 1 264 . 1 1 87 87 GLU CA C 13 56.720 0.4 . 1 . . . . 87 E CA . 16003 1 265 . 1 1 87 87 GLU N N 15 121.800 0.1 . 1 . . . . 87 E N . 16003 1 266 . 1 1 88 88 ALA H H 1 8.295 0.01 . 1 . . . . 88 A HN . 16003 1 267 . 1 1 88 88 ALA C C 13 178.000 0.4 . 1 . . . . 88 A C . 16003 1 268 . 1 1 88 88 ALA CA C 13 52.860 0.4 . 1 . . . . 88 A CA . 16003 1 269 . 1 1 88 88 ALA CB C 13 19.200 0.4 . 1 . . . . 88 A CB . 16003 1 270 . 1 1 88 88 ALA N N 15 124.600 0.1 . 1 . . . . 88 A N . 16003 1 271 . 1 1 89 89 GLN H H 1 8.245 0.01 . 1 . . . . 89 Q HN . 16003 1 272 . 1 1 89 89 GLN C C 13 176.000 0.4 . 1 . . . . 89 Q C . 16003 1 273 . 1 1 89 89 GLN CA C 13 55.950 0.4 . 1 . . . . 89 Q CA . 16003 1 274 . 1 1 89 89 GLN CB C 13 29.370 0.4 . 1 . . . . 89 Q CB . 16003 1 275 . 1 1 89 89 GLN N N 15 119.100 0.1 . 1 . . . . 89 Q N . 16003 1 276 . 1 1 90 90 LYS H H 1 8.211 0.01 . 1 . . . . 90 K HN . 16003 1 277 . 1 1 90 90 LYS C C 13 176.100 0.4 . 1 . . . . 90 K C . 16003 1 278 . 1 1 90 90 LYS CA C 13 56.330 0.4 . 1 . . . . 90 K CA . 16003 1 279 . 1 1 90 90 LYS CB C 13 33.140 0.4 . 1 . . . . 90 K CB . 16003 1 280 . 1 1 90 90 LYS N N 15 122.600 0.1 . 1 . . . . 90 K N . 16003 1 281 . 1 1 91 91 ALA H H 1 8.273 0.01 . 1 . . . . 91 A HN . 16003 1 282 . 1 1 91 91 ALA C C 13 177.300 0.4 . 1 . . . . 91 A C . 16003 1 283 . 1 1 91 91 ALA CA C 13 52.360 0.4 . 1 . . . . 91 A CA . 16003 1 284 . 1 1 91 91 ALA CB C 13 19.470 0.4 . 1 . . . . 91 A CB . 16003 1 285 . 1 1 91 91 ALA N N 15 125.400 0.1 . 1 . . . . 91 A N . 16003 1 286 . 1 1 92 92 GLU H H 1 8.331 0.01 . 1 . . . . 92 E HN . 16003 1 287 . 1 1 92 92 GLU C C 13 174.500 0.4 . 1 . . . . 92 E C . 16003 1 288 . 1 1 92 92 GLU CA C 13 56.670 0.4 . 1 . . . . 92 E CA . 16003 1 289 . 1 1 92 92 GLU CB C 13 29.990 0.4 . 1 . . . . 92 E CB . 16003 1 290 . 1 1 92 92 GLU N N 15 121.700 0.1 . 1 . . . . 92 E N . 16003 1 291 . 1 1 94 94 GLU H H 1 8.535 0.01 . 1 . . . . 94 E HN . 16003 1 292 . 1 1 94 94 GLU C C 13 176.500 0.4 . 1 . . . . 94 E C . 16003 1 293 . 1 1 94 94 GLU CA C 13 56.710 0.4 . 1 . . . . 94 E CA . 16003 1 294 . 1 1 94 94 GLU CB C 13 30.370 0.4 . 1 . . . . 94 E CB . 16003 1 295 . 1 1 94 94 GLU N N 15 120.900 0.1 . 1 . . . . 94 E N . 16003 1 296 . 1 1 95 95 LYS H H 1 8.395 0.01 . 1 . . . . 95 K HN . 16003 1 297 . 1 1 95 95 LYS C C 13 176.400 0.4 . 1 . . . . 95 K C . 16003 1 298 . 1 1 95 95 LYS CA C 13 56.710 0.4 . 1 . . . . 95 K CA . 16003 1 299 . 1 1 95 95 LYS CB C 13 33.010 0.4 . 1 . . . . 95 K CB . 16003 1 300 . 1 1 95 95 LYS N N 15 121.900 0.1 . 1 . . . . 95 K N . 16003 1 301 . 1 1 96 96 SER H H 1 8.359 0.01 . 1 . . . . 96 S HN . 16003 1 302 . 1 1 96 96 SER CA C 13 58.520 0.4 . 1 . . . . 96 S CA . 16003 1 303 . 1 1 96 96 SER CB C 13 63.780 0.4 . 1 . . . . 96 S CB . 16003 1 304 . 1 1 96 96 SER N N 15 122.600 0.1 . 1 . . . . 96 S N . 16003 1 305 . 1 1 99 99 VAL H H 1 8.133 0.01 . 1 . . . . 99 V HN . 16003 1 306 . 1 1 99 99 VAL C C 13 176.300 0.4 . 1 . . . . 99 V C . 16003 1 307 . 1 1 99 99 VAL CA C 13 62.410 0.4 . 1 . . . . 99 V CA . 16003 1 308 . 1 1 99 99 VAL CB C 13 32.800 0.4 . 1 . . . . 99 V CB . 16003 1 309 . 1 1 99 99 VAL N N 15 120.400 0.1 . 1 . . . . 99 V N . 16003 1 310 . 1 1 100 100 VAL H H 1 8.234 0.01 . 1 . . . . 100 V HN . 16003 1 311 . 1 1 100 100 VAL C C 13 175.700 0.4 . 1 . . . . 100 V C . 16003 1 312 . 1 1 100 100 VAL CA C 13 62.260 0.4 . 1 . . . . 100 V CA . 16003 1 313 . 1 1 100 100 VAL CB C 13 32.850 0.4 . 1 . . . . 100 V CB . 16003 1 314 . 1 1 100 100 VAL N N 15 124.400 0.1 . 1 . . . . 100 V N . 16003 1 315 . 1 1 101 101 ASP H H 1 8.380 0.01 . 1 . . . . 101 D HN . 16003 1 316 . 1 1 101 101 ASP C C 13 175.700 0.4 . 1 . . . . 101 D C . 16003 1 317 . 1 1 101 101 ASP CA C 13 54.280 0.4 . 1 . . . . 101 D CA . 16003 1 318 . 1 1 101 101 ASP CB C 13 41.340 0.4 . 1 . . . . 101 D CB . 16003 1 319 . 1 1 101 101 ASP N N 15 124.500 0.1 . 1 . . . . 101 D N . 16003 1 320 . 1 1 102 102 ALA H H 1 8.198 0.01 . 1 . . . . 102 A HN . 16003 1 321 . 1 1 102 102 ALA C C 13 177.500 0.4 . 1 . . . . 102 A C . 16003 1 322 . 1 1 102 102 ALA CA C 13 52.490 0.4 . 1 . . . . 102 A CA . 16003 1 323 . 1 1 102 102 ALA CB C 13 19.360 0.4 . 1 . . . . 102 A CB . 16003 1 324 . 1 1 102 102 ALA N N 15 124.900 0.1 . 1 . . . . 102 A N . 16003 1 325 . 1 1 103 103 LYS H H 1 8.321 0.01 . 1 . . . . 103 K HN . 16003 1 326 . 1 1 103 103 LYS C C 13 176.400 0.4 . 1 . . . . 103 K C . 16003 1 327 . 1 1 103 103 LYS CA C 13 56.280 0.4 . 1 . . . . 103 K CA . 16003 1 328 . 1 1 103 103 LYS CB C 13 32.830 0.4 . 1 . . . . 103 K CB . 16003 1 329 . 1 1 103 103 LYS N N 15 120.500 0.1 . 1 . . . . 103 K N . 16003 1 330 . 1 1 104 104 VAL H H 1 8.082 0.01 . 1 . . . . 104 V HN . 16003 1 331 . 1 1 104 104 VAL C C 13 175.800 0.4 . 1 . . . . 104 V C . 16003 1 332 . 1 1 104 104 VAL CA C 13 62.020 0.4 . 1 . . . . 104 V CA . 16003 1 333 . 1 1 104 104 VAL CB C 13 32.860 0.4 . 1 . . . . 104 V CB . 16003 1 334 . 1 1 104 104 VAL N N 15 121.600 0.1 . 1 . . . . 104 V N . 16003 1 335 . 1 1 105 105 GLU H H 1 8.482 0.01 . 1 . . . . 105 E HN . 16003 1 336 . 1 1 105 105 GLU C C 13 174.400 0.4 . 1 . . . . 105 E C . 16003 1 337 . 1 1 105 105 GLU CA C 13 54.260 0.4 . 1 . . . . 105 E CA . 16003 1 338 . 1 1 105 105 GLU CB C 13 29.960 0.4 . 1 . . . . 105 E CB . 16003 1 339 . 1 1 105 105 GLU N N 15 126.600 0.1 . 1 . . . . 105 E N . 16003 1 340 . 1 1 107 107 GLN H H 1 8.515 0.01 . 1 . . . . 107 Q HN . 16003 1 341 . 1 1 107 107 GLN C C 13 176.100 0.4 . 1 . . . . 107 Q C . 16003 1 342 . 1 1 107 107 GLN CA C 13 55.880 0.4 . 1 . . . . 107 Q CA . 16003 1 343 . 1 1 107 107 GLN CB C 13 29.440 0.4 . 1 . . . . 107 Q CB . 16003 1 344 . 1 1 107 107 GLN N N 15 120.500 0.1 . 1 . . . . 107 Q N . 16003 1 345 . 1 1 108 108 LYS H H 1 8.386 0.01 . 1 . . . . 108 K HN . 16003 1 346 . 1 1 108 108 LYS CA C 13 56.210 0.4 . 1 . . . . 108 K CA . 16003 1 347 . 1 1 108 108 LYS CB C 13 33.150 0.4 . 1 . . . . 108 K CB . 16003 1 348 . 1 1 108 108 LYS N N 15 122.800 0.1 . 1 . . . . 108 K N . 16003 1 349 . 1 1 112 112 GLN H H 1 8.305 0.01 . 1 . . . . 112 Q HN . 16003 1 350 . 1 1 112 112 GLN C C 13 175.300 0.4 . 1 . . . . 112 Q C . 16003 1 351 . 1 1 112 112 GLN CA C 13 55.540 0.4 . 1 . . . . 112 Q CA . 16003 1 352 . 1 1 112 112 GLN CB C 13 29.560 0.4 . 1 . . . . 112 Q CB . 16003 1 353 . 1 1 112 112 GLN N N 15 120.700 0.1 . 1 . . . . 112 Q N . 16003 1 354 . 1 1 113 113 ALA H H 1 8.270 0.01 . 1 . . . . 113 A HN . 16003 1 355 . 1 1 113 113 ALA CA C 13 50.650 0.4 . 1 . . . . 113 A CA . 16003 1 356 . 1 1 113 113 ALA CB C 13 18.160 0.4 . 1 . . . . 113 A CB . 16003 1 357 . 1 1 113 113 ALA N N 15 126.700 0.1 . 1 . . . . 113 A N . 16003 1 358 . 1 1 117 117 GLU H H 1 8.501 0.01 . 1 . . . . 117 E HN . 16003 1 359 . 1 1 117 117 GLU C C 13 176.100 0.4 . 1 . . . . 117 E C . 16003 1 360 . 1 1 117 117 GLU CA C 13 56.280 0.4 . 1 . . . . 117 E CA . 16003 1 361 . 1 1 117 117 GLU CB C 13 30.170 0.4 . 1 . . . . 117 E CB . 16003 1 362 . 1 1 117 117 GLU N N 15 122.900 0.1 . 1 . . . . 117 E N . 16003 1 363 . 1 1 118 118 GLU H H 1 8.493 0.01 . 1 . . . . 118 E HN . 16003 1 364 . 1 1 118 118 GLU C C 13 174.500 0.4 . 1 . . . . 118 E C . 16003 1 365 . 1 1 118 118 GLU CA C 13 56.270 0.4 . 1 . . . . 118 E CA . 16003 1 366 . 1 1 118 118 GLU CB C 13 30.170 0.4 . 1 . . . . 118 E CB . 16003 1 367 . 1 1 118 118 GLU N N 15 123.800 0.1 . 1 . . . . 118 E N . 16003 1 368 . 1 1 122 122 ALA H H 1 8.283 0.01 . 1 . . . . 122 A HN . 16003 1 369 . 1 1 122 122 ALA C C 13 176.300 0.4 . 1 . . . . 122 A C . 16003 1 370 . 1 1 122 122 ALA CA C 13 52.470 0.4 . 1 . . . . 122 A CA . 16003 1 371 . 1 1 122 122 ALA CB C 13 19.280 0.4 . 1 . . . . 122 A CB . 16003 1 372 . 1 1 122 122 ALA N N 15 123.300 0.1 . 1 . . . . 122 A N . 16003 1 373 . 1 1 123 123 SER H H 1 8.195 0.01 . 1 . . . . 123 S HN . 16003 1 374 . 1 1 123 123 SER C C 13 173.800 0.4 . 1 . . . . 123 S C . 16003 1 375 . 1 1 123 123 SER CA C 13 57.990 0.4 . 1 . . . . 123 S CA . 16003 1 376 . 1 1 123 123 SER CB C 13 63.920 0.4 . 1 . . . . 123 S CB . 16003 1 377 . 1 1 123 123 SER N N 15 114.900 0.1 . 1 . . . . 123 S N . 16003 1 378 . 1 1 124 124 ALA H H 1 8.234 0.01 . 1 . . . . 124 A HN . 16003 1 379 . 1 1 124 124 ALA C C 13 175.300 0.4 . 1 . . . . 124 A C . 16003 1 380 . 1 1 124 124 ALA CA C 13 50.610 0.4 . 1 . . . . 124 A CA . 16003 1 381 . 1 1 124 124 ALA CB C 13 18.380 0.4 . 1 . . . . 124 A CB . 16003 1 382 . 1 1 124 124 ALA N N 15 127.000 0.1 . 1 . . . . 124 A N . 16003 1 383 . 1 1 126 126 ALA H H 1 8.398 0.01 . 1 . . . . 126 A HN . 16003 1 384 . 1 1 126 126 ALA C C 13 177.700 0.4 . 1 . . . . 126 A C . 16003 1 385 . 1 1 126 126 ALA CA C 13 52.350 0.4 . 1 . . . . 126 A CA . 16003 1 386 . 1 1 126 126 ALA CB C 13 19.220 0.4 . 1 . . . . 126 A CB . 16003 1 387 . 1 1 126 126 ALA N N 15 124.400 0.1 . 1 . . . . 126 A N . 16003 1 388 . 1 1 127 127 ALA H H 1 8.339 0.01 . 1 . . . . 127 A HN . 16003 1 389 . 1 1 127 127 ALA C C 13 177.900 0.4 . 1 . . . . 127 A C . 16003 1 390 . 1 1 127 127 ALA CA C 13 52.510 0.4 . 1 . . . . 127 A CA . 16003 1 391 . 1 1 127 127 ALA CB C 13 19.300 0.4 . 1 . . . . 127 A CB . 16003 1 392 . 1 1 127 127 ALA N N 15 123.600 0.1 . 1 . . . . 127 A N . 16003 1 393 . 1 1 128 128 SER H H 1 8.316 0.01 . 1 . . . . 128 S HN . 16003 1 394 . 1 1 128 128 SER C C 13 174.800 0.4 . 1 . . . . 128 S C . 16003 1 395 . 1 1 128 128 SER CA C 13 58.330 0.4 . 1 . . . . 128 S CA . 16003 1 396 . 1 1 128 128 SER CB C 13 63.820 0.4 . 1 . . . . 128 S CB . 16003 1 397 . 1 1 128 128 SER N N 15 115.000 0.1 . 1 . . . . 128 S N . 16003 1 398 . 1 1 129 129 SER H H 1 8.357 0.01 . 1 . . . . 129 S HN . 16003 1 399 . 1 1 129 129 SER C C 13 174.000 0.4 . 1 . . . . 129 S C . 16003 1 400 . 1 1 129 129 SER CA C 13 58.190 0.4 . 1 . . . . 129 S CA . 16003 1 401 . 1 1 129 129 SER CB C 13 63.830 0.4 . 1 . . . . 129 S CB . 16003 1 402 . 1 1 129 129 SER N N 15 117.900 0.1 . 1 . . . . 129 S N . 16003 1 403 . 1 1 130 130 GLU H H 1 8.389 0.01 . 1 . . . . 130 E HN . 16003 1 404 . 1 1 130 130 GLU C C 13 175.600 0.4 . 1 . . . . 130 E C . 16003 1 405 . 1 1 130 130 GLU CA C 13 56.110 0.4 . 1 . . . . 130 E CA . 16003 1 406 . 1 1 130 130 GLU CB C 13 30.280 0.4 . 1 . . . . 130 E CB . 16003 1 407 . 1 1 130 130 GLU N N 15 123.800 0.1 . 1 . . . . 130 E N . 16003 1 408 . 1 1 131 131 ALA H H 1 8.375 0.01 . 1 . . . . 131 A HN . 16003 1 409 . 1 1 131 131 ALA C C 13 175.300 0.4 . 1 . . . . 131 A C . 16003 1 410 . 1 1 131 131 ALA CA C 13 50.490 0.4 . 1 . . . . 131 A CA . 16003 1 411 . 1 1 131 131 ALA CB C 13 18.210 0.4 . 1 . . . . 131 A CB . 16003 1 412 . 1 1 131 131 ALA N N 15 127.000 0.1 . 1 . . . . 131 A N . 16003 1 413 . 1 1 133 133 LYS H H 1 8.520 0.01 . 1 . . . . 133 K HN . 16003 1 414 . 1 1 133 133 LYS C C 13 177.000 0.4 . 1 . . . . 133 K C . 16003 1 415 . 1 1 133 133 LYS CA C 13 56.170 0.4 . 1 . . . . 133 K CA . 16003 1 416 . 1 1 133 133 LYS CB C 13 33.070 0.4 . 1 . . . . 133 K CB . 16003 1 417 . 1 1 133 133 LYS N N 15 122.100 0.1 . 1 . . . . 133 K N . 16003 1 418 . 1 1 134 134 THR H H 1 8.201 0.01 . 1 . . . . 134 T HN . 16003 1 419 . 1 1 134 134 THR C C 13 174.200 0.4 . 1 . . . . 134 T C . 16003 1 420 . 1 1 134 134 THR CA C 13 61.590 0.4 . 1 . . . . 134 T CA . 16003 1 421 . 1 1 134 134 THR CB C 13 69.910 0.4 . 1 . . . . 134 T CB . 16003 1 422 . 1 1 134 134 THR N N 15 115.200 0.1 . 1 . . . . 134 T N . 16003 1 423 . 1 1 135 135 SER H H 1 8.350 0.01 . 1 . . . . 135 S HN . 16003 1 424 . 1 1 135 135 SER C C 13 174.400 0.4 . 1 . . . . 135 S C . 16003 1 425 . 1 1 135 135 SER CA C 13 58.230 0.4 . 1 . . . . 135 S CA . 16003 1 426 . 1 1 135 135 SER CB C 13 63.830 0.4 . 1 . . . . 135 S CB . 16003 1 427 . 1 1 135 135 SER N N 15 117.900 0.1 . 1 . . . . 135 S N . 16003 1 428 . 1 1 136 136 GLU H H 1 8.388 0.01 . 1 . . . . 136 E HN . 16003 1 429 . 1 1 136 136 GLU CA C 13 54.370 0.4 . 1 . . . . 136 E CA . 16003 1 430 . 1 1 136 136 GLU CB C 13 30.280 0.4 . 1 . . . . 136 E CB . 16003 1 431 . 1 1 136 136 GLU N N 15 123.800 0.1 . 1 . . . . 136 E N . 16003 1 432 . 1 1 138 138 SER H H 1 8.459 0.01 . 1 . . . . 138 S HN . 16003 1 433 . 1 1 138 138 SER C C 13 175.000 0.4 . 1 . . . . 138 S C . 16003 1 434 . 1 1 138 138 SER CA C 13 58.380 0.4 . 1 . . . . 138 S CA . 16003 1 435 . 1 1 138 138 SER CB C 13 63.810 0.4 . 1 . . . . 138 S CB . 16003 1 436 . 1 1 138 138 SER N N 15 116.100 0.1 . 1 . . . . 138 S N . 16003 1 437 . 1 1 139 139 SER H H 1 8.438 0.01 . 1 . . . . 139 S HN . 16003 1 438 . 1 1 139 139 SER C C 13 174.400 0.4 . 1 . . . . 139 S C . 16003 1 439 . 1 1 139 139 SER CA C 13 58.580 0.4 . 1 . . . . 139 S CA . 16003 1 440 . 1 1 139 139 SER CB C 13 63.760 0.4 . 1 . . . . 139 S CB . 16003 1 441 . 1 1 139 139 SER N N 15 118.100 0.1 . 1 . . . . 139 S N . 16003 1 442 . 1 1 140 140 ASP H H 1 8.323 0.01 . 1 . . . . 140 D HN . 16003 1 443 . 1 1 140 140 ASP C C 13 176.200 0.4 . 1 . . . . 140 D C . 16003 1 444 . 1 1 140 140 ASP CA C 13 54.370 0.4 . 1 . . . . 140 D CA . 16003 1 445 . 1 1 140 140 ASP CB C 13 41.190 0.4 . 1 . . . . 140 D CB . 16003 1 446 . 1 1 140 140 ASP N N 15 122.300 0.1 . 1 . . . . 140 D N . 16003 1 447 . 1 1 141 141 ALA H H 1 8.171 0.01 . 1 . . . . 141 A HN . 16003 1 448 . 1 1 141 141 ALA C C 13 178.000 0.4 . 1 . . . . 141 A C . 16003 1 449 . 1 1 141 141 ALA CA C 13 52.870 0.4 . 1 . . . . 141 A CA . 16003 1 450 . 1 1 141 141 ALA CB C 13 19.220 0.4 . 1 . . . . 141 A CB . 16003 1 451 . 1 1 141 141 ALA N N 15 124.600 0.1 . 1 . . . . 141 A N . 16003 1 452 . 1 1 142 142 LYS H H 1 8.227 0.01 . 1 . . . . 142 K HN . 16003 1 453 . 1 1 142 142 LYS C C 13 176.600 0.4 . 1 . . . . 142 K C . 16003 1 454 . 1 1 142 142 LYS CA C 13 56.420 0.4 . 1 . . . . 142 K CA . 16003 1 455 . 1 1 142 142 LYS CB C 13 32.880 0.4 . 1 . . . . 142 K CB . 16003 1 456 . 1 1 142 142 LYS N N 15 119.900 0.1 . 1 . . . . 142 K N . 16003 1 457 . 1 1 143 143 ALA H H 1 8.173 0.01 . 1 . . . . 143 A HN . 16003 1 458 . 1 1 143 143 ALA C C 13 177.700 0.4 . 1 . . . . 143 A C . 16003 1 459 . 1 1 143 143 ALA CA C 13 52.630 0.4 . 1 . . . . 143 A CA . 16003 1 460 . 1 1 143 143 ALA CB C 13 19.230 0.4 . 1 . . . . 143 A CB . 16003 1 461 . 1 1 143 143 ALA N N 15 124.500 0.1 . 1 . . . . 143 A N . 16003 1 462 . 1 1 144 144 SER H H 1 8.214 0.01 . 1 . . . . 144 S HN . 16003 1 463 . 1 1 144 144 SER CA C 13 58.280 0.4 . 1 . . . . 144 S CA . 16003 1 464 . 1 1 144 144 SER CB C 13 63.920 0.4 . 1 . . . . 144 S CB . 16003 1 465 . 1 1 144 144 SER N N 15 115.100 0.1 . 1 . . . . 144 S N . 16003 1 466 . 1 1 147 147 SER H H 1 8.445 0.01 . 1 . . . . 147 S HN . 16003 1 467 . 1 1 147 147 SER C C 13 174.700 0.4 . 1 . . . . 147 S C . 16003 1 468 . 1 1 147 147 SER CA C 13 58.440 0.4 . 1 . . . . 147 S CA . 16003 1 469 . 1 1 147 147 SER CB C 13 63.810 0.4 . 1 . . . . 147 S CB . 16003 1 470 . 1 1 147 147 SER N N 15 116.200 0.1 . 1 . . . . 147 S N . 16003 1 471 . 1 1 148 148 GLU H H 1 8.463 0.01 . 1 . . . . 148 E HN . 16003 1 472 . 1 1 148 148 GLU C C 13 176.500 0.4 . 1 . . . . 148 E C . 16003 1 473 . 1 1 148 148 GLU CA C 13 56.490 0.4 . 1 . . . . 148 E CA . 16003 1 474 . 1 1 148 148 GLU CB C 13 30.100 0.4 . 1 . . . . 148 E CB . 16003 1 475 . 1 1 148 148 GLU N N 15 122.600 0.1 . 1 . . . . 148 E N . 16003 1 476 . 1 1 149 149 ALA H H 1 8.292 0.01 . 1 . . . . 149 A HN . 16003 1 477 . 1 1 149 149 ALA C C 13 177.800 0.4 . 1 . . . . 149 A C . 16003 1 478 . 1 1 149 149 ALA CA C 13 52.690 0.4 . 1 . . . . 149 A CA . 16003 1 479 . 1 1 149 149 ALA CB C 13 19.350 0.4 . 1 . . . . 149 A CB . 16003 1 480 . 1 1 149 149 ALA N N 15 124.800 0.1 . 1 . . . . 149 A N . 16003 1 481 . 1 1 150 150 THR H H 1 8.053 0.01 . 1 . . . . 150 T HN . 16003 1 482 . 1 1 150 150 THR C C 13 174.000 0.4 . 1 . . . . 150 T C . 16003 1 483 . 1 1 150 150 THR CA C 13 61.660 0.4 . 1 . . . . 150 T CA . 16003 1 484 . 1 1 150 150 THR CB C 13 69.870 0.4 . 1 . . . . 150 T CB . 16003 1 485 . 1 1 150 150 THR N N 15 113.300 0.1 . 1 . . . . 150 T N . 16003 1 486 . 1 1 151 151 ALA H H 1 8.270 0.01 . 1 . . . . 151 A HN . 16003 1 487 . 1 1 151 151 ALA C C 13 175.400 0.4 . 1 . . . . 151 A C . 16003 1 488 . 1 1 151 151 ALA CA C 13 50.650 0.4 . 1 . . . . 151 A CA . 16003 1 489 . 1 1 151 151 ALA CB C 13 18.300 0.4 . 1 . . . . 151 A CB . 16003 1 490 . 1 1 151 151 ALA N N 15 128.000 0.1 . 1 . . . . 151 A N . 16003 1 491 . 1 1 153 153 SER H H 1 8.443 0.01 . 1 . . . . 153 S HN . 16003 1 492 . 1 1 153 153 SER C C 13 174.700 0.4 . 1 . . . . 153 S C . 16003 1 493 . 1 1 153 153 SER CA C 13 58.380 0.4 . 1 . . . . 153 S CA . 16003 1 494 . 1 1 153 153 SER CB C 13 63.960 0.4 . 1 . . . . 153 S CB . 16003 1 495 . 1 1 153 153 SER N N 15 116.300 0.1 . 1 . . . . 153 S N . 16003 1 496 . 1 1 154 154 LYS H H 1 8.399 0.01 . 1 . . . . 154 K HN . 16003 1 497 . 1 1 154 154 LYS C C 13 176.300 0.4 . 1 . . . . 154 K C . 16003 1 498 . 1 1 154 154 LYS CA C 13 56.310 0.4 . 1 . . . . 154 K CA . 16003 1 499 . 1 1 154 154 LYS CB C 13 33.160 0.4 . 1 . . . . 154 K CB . 16003 1 500 . 1 1 154 154 LYS N N 15 123.600 0.1 . 1 . . . . 154 K N . 16003 1 501 . 1 1 155 155 ALA H H 1 8.335 0.01 . 1 . . . . 155 A HN . 16003 1 502 . 1 1 155 155 ALA C C 13 177.500 0.4 . 1 . . . . 155 A C . 16003 1 503 . 1 1 155 155 ALA CA C 13 52.710 0.4 . 1 . . . . 155 A CA . 16003 1 504 . 1 1 155 155 ALA CB C 13 19.360 0.4 . 1 . . . . 155 A CB . 16003 1 505 . 1 1 155 155 ALA N N 15 125.200 0.1 . 1 . . . . 155 A N . 16003 1 506 . 1 1 156 156 ASP H H 1 8.272 0.01 . 1 . . . . 156 D HN . 16003 1 507 . 1 1 156 156 ASP C C 13 176.000 0.4 . 1 . . . . 156 D C . 16003 1 508 . 1 1 156 156 ASP CA C 13 54.310 0.4 . 1 . . . . 156 D CA . 16003 1 509 . 1 1 156 156 ASP CB C 13 41.300 0.4 . 1 . . . . 156 D CB . 16003 1 510 . 1 1 156 156 ASP N N 15 119.500 0.1 . 1 . . . . 156 D N . 16003 1 511 . 1 1 157 157 ASP H H 1 8.210 0.01 . 1 . . . . 157 D HN . 16003 1 512 . 1 1 157 157 ASP C C 13 176.700 0.4 . 1 . . . . 157 D C . 16003 1 513 . 1 1 157 157 ASP CA C 13 54.580 0.4 . 1 . . . . 157 D CA . 16003 1 514 . 1 1 157 157 ASP CB C 13 41.140 0.4 . 1 . . . . 157 D CB . 16003 1 515 . 1 1 157 157 ASP N N 15 121.000 0.1 . 1 . . . . 157 D N . 16003 1 516 . 1 1 158 158 LYS H H 1 8.324 0.01 . 1 . . . . 158 K HN . 16003 1 517 . 1 1 158 158 LYS CA C 13 56.630 0.4 . 1 . . . . 158 K CA . 16003 1 518 . 1 1 158 158 LYS N N 15 121.800 0.1 . 1 . . . . 158 K N . 16003 1 519 . 1 1 159 159 SER H H 1 8.345 0.01 . 1 . . . . 159 S HN . 16003 1 520 . 1 1 159 159 SER C C 13 175.100 0.4 . 1 . . . . 159 S C . 16003 1 521 . 1 1 159 159 SER CA C 13 59.290 0.4 . 1 . . . . 159 S CA . 16003 1 522 . 1 1 159 159 SER CB C 13 63.630 0.4 . 1 . . . . 159 S CB . 16003 1 523 . 1 1 159 159 SER N N 15 116.600 0.1 . 1 . . . . 159 S N . 16003 1 524 . 1 1 160 160 LYS H H 1 8.216 0.01 . 1 . . . . 160 K HN . 16003 1 525 . 1 1 160 160 LYS C C 13 176.900 0.4 . 1 . . . . 160 K C . 16003 1 526 . 1 1 160 160 LYS CA C 13 56.580 0.4 . 1 . . . . 160 K CA . 16003 1 527 . 1 1 160 160 LYS CB C 13 32.990 0.4 . 1 . . . . 160 K CB . 16003 1 528 . 1 1 160 160 LYS N N 15 122.800 0.1 . 1 . . . . 160 K N . 16003 1 529 . 1 1 161 161 GLU H H 1 8.307 0.01 . 1 . . . . 161 E HN . 16003 1 530 . 1 1 161 161 GLU C C 13 176.500 0.4 . 1 . . . . 161 E C . 16003 1 531 . 1 1 161 161 GLU CA C 13 56.770 0.4 . 1 . . . . 161 E CA . 16003 1 532 . 1 1 161 161 GLU CB C 13 30.070 0.4 . 1 . . . . 161 E CB . 16003 1 533 . 1 1 161 161 GLU N N 15 121.500 0.1 . 1 . . . . 161 E N . 16003 1 534 . 1 1 162 162 GLU H H 1 8.401 0.01 . 1 . . . . 162 E HN . 16003 1 535 . 1 1 162 162 GLU C C 13 177.200 0.4 . 1 . . . . 162 E C . 16003 1 536 . 1 1 162 162 GLU CA C 13 56.850 0.4 . 1 . . . . 162 E CA . 16003 1 537 . 1 1 162 162 GLU CB C 13 30.340 0.4 . 1 . . . . 162 E CB . 16003 1 538 . 1 1 162 162 GLU N N 15 121.800 0.1 . 1 . . . . 162 E N . 16003 1 539 . 1 1 163 163 GLY H H 1 8.371 0.01 . 1 . . . . 163 G HN . 16003 1 540 . 1 1 163 163 GLY C C 13 174.300 0.4 . 1 . . . . 163 G C . 16003 1 541 . 1 1 163 163 GLY CA C 13 45.460 0.4 . 1 . . . . 163 G CA . 16003 1 542 . 1 1 163 163 GLY N N 15 109.500 0.1 . 1 . . . . 163 G N . 16003 1 543 . 1 1 164 164 GLU H H 1 8.219 0.01 . 1 . . . . 164 E HN . 16003 1 544 . 1 1 164 164 GLU CA C 13 56.620 0.4 . 1 . . . . 164 E CA . 16003 1 545 . 1 1 164 164 GLU CB C 13 30.330 0.4 . 1 . . . . 164 E CB . 16003 1 546 . 1 1 164 164 GLU N N 15 120.700 0.1 . 1 . . . . 164 E N . 16003 1 547 . 1 1 165 165 ALA H H 1 8.294 0.01 . 1 . . . . 165 A HN . 16003 1 548 . 1 1 165 165 ALA CA C 13 52.730 0.4 . 1 . . . . 165 A CA . 16003 1 549 . 1 1 165 165 ALA CB C 13 19.200 0.4 . 1 . . . . 165 A CB . 16003 1 550 . 1 1 165 165 ALA N N 15 125.000 0.1 . 1 . . . . 165 A N . 16003 1 551 . 1 1 169 169 GLU H H 1 8.469 0.01 . 1 . . . . 169 E HN . 16003 1 552 . 1 1 169 169 GLU CA C 13 56.560 0.4 . 1 . . . . 169 E CA . 16003 1 553 . 1 1 169 169 GLU CB C 13 30.190 0.4 . 1 . . . . 169 E CB . 16003 1 554 . 1 1 169 169 GLU N N 15 123.500 0.1 . 1 . . . . 169 E N . 16003 1 555 . 1 1 172 172 ALA H H 1 8.433 0.01 . 1 . . . . 172 A HN . 16003 1 556 . 1 1 172 172 ALA C C 13 177.700 0.4 . 1 . . . . 172 A C . 16003 1 557 . 1 1 172 172 ALA CA C 13 52.370 0.4 . 1 . . . . 172 A CA . 16003 1 558 . 1 1 172 172 ALA CB C 13 19.300 0.4 . 1 . . . . 172 A CB . 16003 1 559 . 1 1 172 172 ALA N N 15 124.500 0.1 . 1 . . . . 172 A N . 16003 1 560 . 1 1 173 173 THR H H 1 8.170 0.01 . 1 . . . . 173 T HN . 16003 1 561 . 1 1 173 173 THR C C 13 172.900 0.4 . 1 . . . . 173 T C . 16003 1 562 . 1 1 173 173 THR CA C 13 61.810 0.4 . 1 . . . . 173 T CA . 16003 1 563 . 1 1 173 173 THR CB C 13 69.780 0.4 . 1 . . . . 173 T CB . 16003 1 564 . 1 1 173 173 THR N N 15 115.900 0.1 . 1 . . . . 173 T N . 16003 1 565 . 1 1 179 179 THR H H 1 8.275 0.01 . 1 . . . . 179 T HN . 16003 1 566 . 1 1 179 179 THR C C 13 174.400 0.4 . 1 . . . . 179 T C . 16003 1 567 . 1 1 179 179 THR CA C 13 62.000 0.4 . 1 . . . . 179 T CA . 16003 1 568 . 1 1 179 179 THR CB C 13 69.830 0.4 . 1 . . . . 179 T CB . 16003 1 569 . 1 1 179 179 THR N N 15 116.400 0.1 . 1 . . . . 179 T N . 16003 1 570 . 1 1 180 180 LYS H H 1 8.424 0.01 . 1 . . . . 180 K HN . 16003 1 571 . 1 1 180 180 LYS C C 13 176.400 0.4 . 1 . . . . 180 K C . 16003 1 572 . 1 1 180 180 LYS CA C 13 56.280 0.4 . 1 . . . . 180 K CA . 16003 1 573 . 1 1 180 180 LYS CB C 13 33.190 0.4 . 1 . . . . 180 K CB . 16003 1 574 . 1 1 180 180 LYS N N 15 124.400 0.1 . 1 . . . . 180 K N . 16003 1 575 . 1 1 181 181 SER H H 1 8.376 0.01 . 1 . . . . 181 S HN . 16003 1 576 . 1 1 181 181 SER C C 13 174.500 0.4 . 1 . . . . 181 S C . 16003 1 577 . 1 1 181 181 SER CA C 13 58.430 0.4 . 1 . . . . 181 S CA . 16003 1 578 . 1 1 181 181 SER N N 15 117.600 0.1 . 1 . . . . 181 S N . 16003 1 579 . 1 1 182 182 GLU H H 1 8.489 0.01 . 1 . . . . 182 E HN . 16003 1 580 . 1 1 182 182 GLU C C 13 176.200 0.4 . 1 . . . . 182 E C . 16003 1 581 . 1 1 182 182 GLU CA C 13 56.400 0.4 . 1 . . . . 182 E CA . 16003 1 582 . 1 1 182 182 GLU CB C 13 30.000 0.4 . 1 . . . . 182 E CB . 16003 1 583 . 1 1 182 182 GLU N N 15 123.200 0.1 . 1 . . . . 182 E N . 16003 1 584 . 1 1 183 183 VAL H H 1 8.149 0.01 . 1 . . . . 183 V HN . 16003 1 585 . 1 1 183 183 VAL C C 13 175.500 0.4 . 1 . . . . 183 V C . 16003 1 586 . 1 1 183 183 VAL CA C 13 62.000 0.4 . 1 . . . . 183 V CA . 16003 1 587 . 1 1 183 183 VAL CB C 13 32.830 0.4 . 1 . . . . 183 V CB . 16003 1 588 . 1 1 183 183 VAL N N 15 121.200 0.1 . 1 . . . . 183 V N . 16003 1 589 . 1 1 184 184 ALA H H 1 8.390 0.01 . 1 . . . . 184 A HN . 16003 1 590 . 1 1 184 184 ALA C C 13 175.300 0.4 . 1 . . . . 184 A C . 16003 1 591 . 1 1 184 184 ALA CA C 13 50.420 0.4 . 1 . . . . 184 A CA . 16003 1 592 . 1 1 184 184 ALA CB C 13 18.250 0.4 . 1 . . . . 184 A CB . 16003 1 593 . 1 1 184 184 ALA N N 15 129.500 0.1 . 1 . . . . 184 A N . 16003 1 594 . 1 1 186 186 ALA H H 1 8.459 0.01 . 1 . . . . 186 A HN . 16003 1 595 . 1 1 186 186 ALA C C 13 178.100 0.4 . 1 . . . . 186 A C . 16003 1 596 . 1 1 186 186 ALA CA C 13 52.490 0.4 . 1 . . . . 186 A CA . 16003 1 597 . 1 1 186 186 ALA N N 15 124.600 0.1 . 1 . . . . 186 A N . 16003 1 598 . 1 1 187 187 SER H H 1 8.346 0.01 . 1 . . . . 187 S HN . 16003 1 599 . 1 1 187 187 SER C C 13 174.400 0.4 . 1 . . . . 187 S C . 16003 1 600 . 1 1 187 187 SER CA C 13 58.430 0.4 . 1 . . . . 187 S CA . 16003 1 601 . 1 1 187 187 SER CB C 13 63.830 0.4 . 1 . . . . 187 S CB . 16003 1 602 . 1 1 187 187 SER N N 15 115.000 0.1 . 1 . . . . 187 S N . 16003 1 603 . 1 1 188 188 ASP H H 1 8.337 0.01 . 1 . . . . 188 D HN . 16003 1 604 . 1 1 188 188 ASP C C 13 176.200 0.4 . 1 . . . . 188 D C . 16003 1 605 . 1 1 188 188 ASP CA C 13 54.200 0.4 . 1 . . . . 188 D CA . 16003 1 606 . 1 1 188 188 ASP N N 15 122.300 0.1 . 1 . . . . 188 D N . 16003 1 607 . 1 1 189 189 SER H H 1 8.150 0.01 . 1 . . . . 189 S HN . 16003 1 608 . 1 1 189 189 SER C C 13 174.100 0.4 . 1 . . . . 189 S C . 16003 1 609 . 1 1 189 189 SER CA C 13 58.370 0.4 . 1 . . . . 189 S CA . 16003 1 610 . 1 1 189 189 SER N N 15 115.800 0.1 . 1 . . . . 189 S N . 16003 1 611 . 1 1 190 190 LYS H H 1 8.292 0.01 . 1 . . . . 190 K HN . 16003 1 612 . 1 1 190 190 LYS C C 13 174.500 0.4 . 1 . . . . 190 K C . 16003 1 613 . 1 1 190 190 LYS CA C 13 54.320 0.4 . 1 . . . . 190 K CA . 16003 1 614 . 1 1 190 190 LYS CB C 13 32.590 0.4 . 1 . . . . 190 K CB . 16003 1 615 . 1 1 190 190 LYS N N 15 124.300 0.1 . 1 . . . . 190 K N . 16003 1 616 . 1 1 192 192 SER H H 1 8.510 0.01 . 1 . . . . 192 S HN . 16003 1 617 . 1 1 192 192 SER C C 13 174.900 0.4 . 1 . . . . 192 S C . 16003 1 618 . 1 1 192 192 SER CA C 13 58.420 0.4 . 1 . . . . 192 S CA . 16003 1 619 . 1 1 192 192 SER CB C 13 63.810 0.4 . 1 . . . . 192 S CB . 16003 1 620 . 1 1 192 192 SER N N 15 116.400 0.1 . 1 . . . . 192 S N . 16003 1 621 . 1 1 193 193 SER H H 1 8.404 0.01 . 1 . . . . 193 S HN . 16003 1 622 . 1 1 193 193 SER CA C 13 58.450 0.4 . 1 . . . . 193 S CA . 16003 1 623 . 1 1 193 193 SER CB C 13 63.800 0.4 . 1 . . . . 193 S CB . 16003 1 624 . 1 1 193 193 SER N N 15 117.800 0.1 . 1 . . . . 193 S N . 16003 1 625 . 1 1 204 204 VAL H H 1 8.164 0.01 . 1 . . . . 204 V HN . 16003 1 626 . 1 1 204 204 VAL C C 13 175.800 0.4 . 1 . . . . 204 V C . 16003 1 627 . 1 1 204 204 VAL CA C 13 62.270 0.4 . 1 . . . . 204 V CA . 16003 1 628 . 1 1 204 204 VAL CB C 13 32.840 0.4 . 1 . . . . 204 V CB . 16003 1 629 . 1 1 204 204 VAL N N 15 123.100 0.1 . 1 . . . . 204 V N . 16003 1 630 . 1 1 205 205 ALA H H 1 8.368 0.01 . 1 . . . . 205 A HN . 16003 1 631 . 1 1 205 205 ALA C C 13 177.500 0.4 . 1 . . . . 205 A C . 16003 1 632 . 1 1 205 205 ALA CA C 13 52.490 0.4 . 1 . . . . 205 A CA . 16003 1 633 . 1 1 205 205 ALA CB C 13 19.260 0.4 . 1 . . . . 205 A CB . 16003 1 634 . 1 1 205 205 ALA N N 15 127.900 0.1 . 1 . . . . 205 A N . 16003 1 635 . 1 1 206 206 ALA H H 1 8.304 0.01 . 1 . . . . 206 A HN . 16003 1 636 . 1 1 206 206 ALA C C 13 177.900 0.4 . 1 . . . . 206 A C . 16003 1 637 . 1 1 206 206 ALA CA C 13 52.620 0.4 . 1 . . . . 206 A CA . 16003 1 638 . 1 1 206 206 ALA CB C 13 19.310 0.4 . 1 . . . . 206 A CB . 16003 1 639 . 1 1 206 206 ALA N N 15 123.600 0.1 . 1 . . . . 206 A N . 16003 1 640 . 1 1 207 207 THR H H 1 8.042 0.01 . 1 . . . . 207 T HN . 16003 1 641 . 1 1 207 207 THR C C 13 174.100 0.4 . 1 . . . . 207 T C . 16003 1 642 . 1 1 207 207 THR CA C 13 61.620 0.4 . 1 . . . . 207 T CA . 16003 1 643 . 1 1 207 207 THR CB C 13 69.840 0.4 . 1 . . . . 207 T CB . 16003 1 644 . 1 1 207 207 THR N N 15 113.000 0.1 . 1 . . . . 207 T N . 16003 1 645 . 1 1 208 208 ALA H H 1 8.216 0.01 . 1 . . . . 208 A HN . 16003 1 646 . 1 1 208 208 ALA C C 13 176.900 0.4 . 1 . . . . 208 A C . 16003 1 647 . 1 1 208 208 ALA CA C 13 52.210 0.4 . 1 . . . . 208 A CA . 16003 1 648 . 1 1 208 208 ALA CB C 13 18.130 0.4 . 1 . . . . 208 A CB . 16003 1 649 . 1 1 208 208 ALA N N 15 126.600 0.1 . 1 . . . . 208 A N . 16003 1 650 . 1 1 209 209 ALA H H 1 8.271 0.01 . 1 . . . . 209 A HN . 16003 1 651 . 1 1 209 209 ALA C C 13 175.600 0.4 . 1 . . . . 209 A C . 16003 1 652 . 1 1 209 209 ALA CA C 13 50.470 0.4 . 1 . . . . 209 A CA . 16003 1 653 . 1 1 209 209 ALA CB C 13 18.250 0.4 . 1 . . . . 209 A CB . 16003 1 654 . 1 1 209 209 ALA N N 15 125.000 0.1 . 1 . . . . 209 A N . 16003 1 655 . 1 1 213 213 THR H H 1 8.179 0.01 . 1 . . . . 213 T HN . 16003 1 656 . 1 1 213 213 THR C C 13 174.300 0.4 . 1 . . . . 213 T C . 16003 1 657 . 1 1 213 213 THR CA C 13 61.900 0.4 . 1 . . . . 213 T CA . 16003 1 658 . 1 1 213 213 THR CB C 13 69.730 0.4 . 1 . . . . 213 T CB . 16003 1 659 . 1 1 213 213 THR N N 15 115.600 0.1 . 1 . . . . 213 T N . 16003 1 660 . 1 1 214 214 ALA H H 1 8.195 0.01 . 1 . . . . 214 A HN . 16003 1 661 . 1 1 214 214 ALA C C 13 177.600 0.4 . 1 . . . . 214 A C . 16003 1 662 . 1 1 214 214 ALA CA C 13 52.630 0.4 . 1 . . . . 214 A CA . 16003 1 663 . 1 1 214 214 ALA CB C 13 19.440 0.4 . 1 . . . . 214 A CB . 16003 1 664 . 1 1 214 214 ALA N N 15 126.600 0.1 . 1 . . . . 214 A N . 16003 1 665 . 1 1 215 215 LYS H H 1 8.274 0.01 . 1 . . . . 215 K HN . 16003 1 666 . 1 1 215 215 LYS C C 13 176.400 0.4 . 1 . . . . 215 K C . 16003 1 667 . 1 1 215 215 LYS CA C 13 56.170 0.4 . 1 . . . . 215 K CA . 16003 1 668 . 1 1 215 215 LYS CB C 13 33.170 0.4 . 1 . . . . 215 K CB . 16003 1 669 . 1 1 215 215 LYS N N 15 121.000 0.1 . 1 . . . . 215 K N . 16003 1 670 . 1 1 216 216 ALA H H 1 8.359 0.01 . 1 . . . . 216 A HN . 16003 1 671 . 1 1 216 216 ALA C C 13 177.600 0.4 . 1 . . . . 216 A C . 16003 1 672 . 1 1 216 216 ALA CA C 13 52.630 0.4 . 1 . . . . 216 A CA . 16003 1 673 . 1 1 216 216 ALA CB C 13 19.350 0.4 . 1 . . . . 216 A CB . 16003 1 674 . 1 1 216 216 ALA N N 15 125.700 0.1 . 1 . . . . 216 A N . 16003 1 675 . 1 1 220 220 SER H H 1 8.449 0.01 . 1 . . . . 220 S HN . 16003 1 676 . 1 1 220 220 SER C C 13 173.800 0.4 . 1 . . . . 220 S C . 16003 1 677 . 1 1 220 220 SER CA C 13 58.490 0.4 . 1 . . . . 220 S CA . 16003 1 678 . 1 1 220 220 SER CB C 13 63.870 0.4 . 1 . . . . 220 S CB . 16003 1 679 . 1 1 220 220 SER N N 15 115.600 0.1 . 1 . . . . 220 S N . 16003 1 680 . 1 1 221 221 ALA H H 1 8.068 0.01 . 1 . . . . 221 A HN . 16003 1 681 . 1 1 221 221 ALA C C 13 174.800 0.4 . 1 . . . . 221 A C . 16003 1 682 . 1 1 221 221 ALA CA C 13 50.500 0.4 . 1 . . . . 221 A CA . 16003 1 683 . 1 1 221 221 ALA CB C 13 18.370 0.4 . 1 . . . . 221 A CB . 16003 1 684 . 1 1 221 221 ALA N N 15 126.000 0.1 . 1 . . . . 221 A N . 16003 1 685 . 1 1 225 225 GLU H H 1 8.394 0.01 . 1 . . . . 225 E HN . 16003 1 686 . 1 1 225 225 GLU C C 13 175.900 0.4 . 1 . . . . 225 E C . 16003 1 687 . 1 1 225 225 GLU CA C 13 56.420 0.4 . 1 . . . . 225 E CA . 16003 1 688 . 1 1 225 225 GLU CB C 13 30.170 0.4 . 1 . . . . 225 E CB . 16003 1 689 . 1 1 225 225 GLU N N 15 122.200 0.1 . 1 . . . . 225 E N . 16003 1 690 . 1 1 226 226 ALA H H 1 8.311 0.01 . 1 . . . . 226 A HN . 16003 1 691 . 1 1 226 226 ALA C C 13 177.300 0.4 . 1 . . . . 226 A C . 16003 1 692 . 1 1 226 226 ALA CA C 13 52.300 0.4 . 1 . . . . 226 A CA . 16003 1 693 . 1 1 226 226 ALA CB C 13 19.390 0.4 . 1 . . . . 226 A CB . 16003 1 694 . 1 1 226 226 ALA N N 15 125.800 0.1 . 1 . . . . 226 A N . 16003 1 695 . 1 1 227 227 LYS H H 1 8.325 0.01 . 1 . . . . 227 K HN . 16003 1 696 . 1 1 227 227 LYS C C 13 174.600 0.4 . 1 . . . . 227 K C . 16003 1 697 . 1 1 227 227 LYS CA C 13 56.590 0.4 . 1 . . . . 227 K CA . 16003 1 698 . 1 1 227 227 LYS CB C 13 32.740 0.4 . 1 . . . . 227 K CB . 16003 1 699 . 1 1 227 227 LYS N N 15 122.300 0.1 . 1 . . . . 227 K N . 16003 1 700 . 1 1 230 230 GLU H H 1 8.299 0.01 . 1 . . . . 230 E HN . 16003 1 701 . 1 1 230 230 GLU C C 13 175.800 0.4 . 1 . . . . 230 E C . 16003 1 702 . 1 1 230 230 GLU CA C 13 56.120 0.4 . 1 . . . . 230 E CA . 16003 1 703 . 1 1 230 230 GLU CB C 13 30.500 0.4 . 1 . . . . 230 E CB . 16003 1 704 . 1 1 230 230 GLU N N 15 122.500 0.1 . 1 . . . . 230 E N . 16003 1 705 . 1 1 231 231 ALA H H 1 8.300 0.01 . 1 . . . . 231 A HN . 16003 1 706 . 1 1 231 231 ALA C C 13 175.300 0.4 . 1 . . . . 231 A C . 16003 1 707 . 1 1 231 231 ALA CA C 13 50.570 0.4 . 1 . . . . 231 A CA . 16003 1 708 . 1 1 231 231 ALA CB C 13 18.140 0.4 . 1 . . . . 231 A CB . 16003 1 709 . 1 1 231 231 ALA N N 15 126.700 0.1 . 1 . . . . 231 A N . 16003 1 710 . 1 1 233 233 ALA H H 1 8.462 0.01 . 1 . . . . 233 A HN . 16003 1 711 . 1 1 233 233 ALA C C 13 178.000 0.4 . 1 . . . . 233 A C . 16003 1 712 . 1 1 233 233 ALA CA C 13 52.500 0.4 . 1 . . . . 233 A CA . 16003 1 713 . 1 1 233 233 ALA CB C 13 19.260 0.4 . 1 . . . . 233 A CB . 16003 1 714 . 1 1 233 233 ALA N N 15 124.600 0.1 . 1 . . . . 233 A N . 16003 1 715 . 1 1 234 234 THR H H 1 8.176 0.01 . 1 . . . . 234 T HN . 16003 1 716 . 1 1 234 234 THR C C 13 174.300 0.4 . 1 . . . . 234 T C . 16003 1 717 . 1 1 234 234 THR CA C 13 61.780 0.4 . 1 . . . . 234 T CA . 16003 1 718 . 1 1 234 234 THR CB C 13 69.890 0.4 . 1 . . . . 234 T CB . 16003 1 719 . 1 1 234 234 THR N N 15 113.200 0.1 . 1 . . . . 234 T N . 16003 1 720 . 1 1 235 235 ASN H H 1 8.480 0.01 . 1 . . . . 235 N HN . 16003 1 721 . 1 1 235 235 ASN C C 13 175.400 0.4 . 1 . . . . 235 N C . 16003 1 722 . 1 1 235 235 ASN CA C 13 53.330 0.4 . 1 . . . . 235 N CA . 16003 1 723 . 1 1 235 235 ASN CB C 13 38.990 0.4 . 1 . . . . 235 N CB . 16003 1 724 . 1 1 235 235 ASN N N 15 121.000 0.1 . 1 . . . . 235 N N . 16003 1 725 . 1 1 236 236 SER H H 1 8.361 0.01 . 1 . . . . 236 S HN . 16003 1 726 . 1 1 236 236 SER CA C 13 58.710 0.4 . 1 . . . . 236 S CA . 16003 1 727 . 1 1 236 236 SER CB C 13 63.680 0.4 . 1 . . . . 236 S CB . 16003 1 728 . 1 1 236 236 SER N N 15 116.400 0.1 . 1 . . . . 236 S N . 16003 1 729 . 1 1 239 239 THR H H 1 8.252 0.01 . 1 . . . . 239 T HN . 16003 1 730 . 1 1 239 239 THR C C 13 174.500 0.4 . 1 . . . . 239 T C . 16003 1 731 . 1 1 239 239 THR CA C 13 62.380 0.4 . 1 . . . . 239 T CA . 16003 1 732 . 1 1 239 239 THR CB C 13 69.680 0.4 . 1 . . . . 239 T CB . 16003 1 733 . 1 1 239 239 THR N N 15 115.700 0.1 . 1 . . . . 239 T N . 16003 1 734 . 1 1 240 240 ILE H H 1 8.058 0.01 . 1 . . . . 240 I HN . 16003 1 735 . 1 1 240 240 ILE C C 13 175.600 0.4 . 1 . . . . 240 I C . 16003 1 736 . 1 1 240 240 ILE CA C 13 60.970 0.4 . 1 . . . . 240 I CA . 16003 1 737 . 1 1 240 240 ILE CB C 13 38.830 0.4 . 1 . . . . 240 I CB . 16003 1 738 . 1 1 240 240 ILE N N 15 123.300 0.1 . 1 . . . . 240 I N . 16003 1 739 . 1 1 241 241 ALA H H 1 8.330 0.01 . 1 . . . . 241 A HN . 16003 1 740 . 1 1 241 241 ALA C C 13 177.300 0.4 . 1 . . . . 241 A C . 16003 1 741 . 1 1 241 241 ALA CA C 13 52.280 0.4 . 1 . . . . 241 A CA . 16003 1 742 . 1 1 241 241 ALA CB C 13 19.340 0.4 . 1 . . . . 241 A CB . 16003 1 743 . 1 1 241 241 ALA N N 15 128.600 0.1 . 1 . . . . 241 A N . 16003 1 744 . 1 1 242 242 VAL H H 1 8.133 0.01 . 1 . . . . 242 V HN . 16003 1 745 . 1 1 242 242 VAL C C 13 175.900 0.4 . 1 . . . . 242 V C . 16003 1 746 . 1 1 242 242 VAL CA C 13 62.340 0.4 . 1 . . . . 242 V CA . 16003 1 747 . 1 1 242 242 VAL CB C 13 32.820 0.4 . 1 . . . . 242 V CB . 16003 1 748 . 1 1 242 242 VAL N N 15 120.300 0.1 . 1 . . . . 242 V N . 16003 1 749 . 1 1 243 243 GLN H H 1 8.442 0.01 . 1 . . . . 243 Q HN . 16003 1 750 . 1 1 243 243 GLN C C 13 174.600 0.4 . 1 . . . . 243 Q C . 16003 1 751 . 1 1 243 243 GLN CA C 13 55.580 0.4 . 1 . . . . 243 Q CA . 16003 1 752 . 1 1 243 243 GLN CB C 13 29.990 0.4 . 1 . . . . 243 Q CB . 16003 1 753 . 1 1 243 243 GLN N N 15 124.900 0.1 . 1 . . . . 243 Q N . 16003 1 754 . 1 1 244 244 ASP H H 1 8.041 0.01 . 1 . . . . 244 D HN . 16003 1 755 . 1 1 244 244 ASP C C 13 177.700 0.4 . 1 . . . . 244 D C . 16003 1 756 . 1 1 244 244 ASP CA C 13 55.850 0.4 . 1 . . . . 244 D CA . 16003 1 757 . 1 1 244 244 ASP CB C 13 42.200 0.4 . 1 . . . . 244 D CB . 16003 1 758 . 1 1 244 244 ASP N N 15 128.300 0.1 . 1 . . . . 244 D N . 16003 1 stop_ save_