data_16044 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16044 _Entry.Title ; N-terminal backbone assignment of the polyoma virus large T antigen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-27 _Entry.Accession_date 2008-11-27 _Entry.Last_release_date . _Entry.Original_release_date . _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 Konstantin Knoblich . . . 16044 2 Tao Jiang . . . 16044 3 Brian Schaffhausen . . . 16044 4 Ulrich Gunther . . . 16044 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . HWB-NMR . 16044 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16044 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 16044 '15N chemical shifts' 142 16044 '1H chemical shifts' 261 16044 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 3 . . 2009-08-20 2008-11-27 update BMRB 'added PubMed ID' 16044 2 . . 2009-06-05 2008-11-27 update BMRB 'completed entry citation' 16044 1 . . 2009-04-16 2008-11-27 original author 'original release' 16044 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16044 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636961 _Citation.Full_citation . _Citation.Title 'Backbone assignment of the N-terminal polyomavirus large T antigen' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 119 _Citation.Page_last 123 _Citation.Year 2009 _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 Konstantin Knoblich . . . 16044 1 2 Sara Whittaker . . . 16044 1 3 Christian Ludwig . . . 16044 1 4 Paul Michiels . . . 16044 1 5 Tao Jiang . . . 16044 1 6 Brian Schaffhausen . . . 16044 1 7 Ulrich Gunther . . . 16044 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16044 _Assembly.ID 1 _Assembly.Name PyLTNT _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 28000 _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 PyLTNT 1 $PyLTNT A . yes native no no . . . 16044 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PyLTNT _Entity.Sf_category entity _Entity.Sf_framecode PyLTNT _Entity.Entry_ID 16044 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PyLTNT _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 ; MDRVLSRADKERLLELLKLP RQLWGDFGRMQQAYKQQSLL LHPDKGGSHALMQELNSLWG TFKTEVYNLRMNLGGTGFQG SPPRTAERGTEESGHSPLHD DYWSFSYGSKYFTREWNDFF RKWDPSYQSPPKTAESSEQP DLFCYEEPLLSPNPSSPTDT PAHTAGRRRNPCVAEPDDSI SPDPPRTPVSRKRPRPAGAT GGGGGGVHANGGSVFGHPTG GTSTPAHPPPYHSQGGSESM GGSDSSGFAEGSFRSDGSHH HHHH ; _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 264 _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 EMBL CAA42510 . "large T antigen [Mus musculus]" . . . . . 96.97 782 99.22 99.22 0.00e+00 . . . . 16044 1 2 no GB AAA46872 . "large t-antigen [Murine polyomavirus strain A3]" . . . . . 96.97 782 100.00 100.00 0.00e+00 . . . . 16044 1 3 no GB AAA93241 . "large t antigen [Murine polyomavirus]" . . . . . 96.97 782 100.00 100.00 0.00e+00 . . . . 16044 1 4 no GB AAA93245 . "large t antigen [Murine polyomavirus]" . . . . . 96.97 782 100.00 100.00 0.00e+00 . . . . 16044 1 5 no GB AAB59901 . "large t-antigen [Murine polyomavirus strain A2]" . . . . . 96.97 785 100.00 100.00 0.00e+00 . . . . 16044 1 6 no GB AAL35609 . "large T antigen [Murine polyomavirus strain BG]" . . . . . 96.97 782 100.00 100.00 0.00e+00 . . . . 16044 1 7 no REF YP_009111413 . "large T antigen [Murine polyomavirus strain BG]" . . . . . 96.97 782 100.00 100.00 0.00e+00 . . . . 16044 1 8 no SP P03073 . "RecName: Full=Large T antigen; Short=LT; Short=LT-AG" . . . . . 96.97 785 100.00 100.00 0.00e+00 . . . . 16044 1 9 no SP P03074 . "RecName: Full=Large T antigen; Short=LT; Short=LT-AG" . . . . . 96.97 782 100.00 100.00 0.00e+00 . . . . 16044 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 . 16044 1 2 . ASP . 16044 1 3 . ARG . 16044 1 4 . VAL . 16044 1 5 . LEU . 16044 1 6 . SER . 16044 1 7 . ARG . 16044 1 8 . ALA . 16044 1 9 . ASP . 16044 1 10 . LYS . 16044 1 11 . GLU . 16044 1 12 . ARG . 16044 1 13 . LEU . 16044 1 14 . LEU . 16044 1 15 . GLU . 16044 1 16 . LEU . 16044 1 17 . LEU . 16044 1 18 . LYS . 16044 1 19 . LEU . 16044 1 20 . PRO . 16044 1 21 . ARG . 16044 1 22 . GLN . 16044 1 23 . LEU . 16044 1 24 . TRP . 16044 1 25 . GLY . 16044 1 26 . ASP . 16044 1 27 . PHE . 16044 1 28 . GLY . 16044 1 29 . ARG . 16044 1 30 . MET . 16044 1 31 . GLN . 16044 1 32 . GLN . 16044 1 33 . ALA . 16044 1 34 . TYR . 16044 1 35 . LYS . 16044 1 36 . GLN . 16044 1 37 . GLN . 16044 1 38 . SER . 16044 1 39 . LEU . 16044 1 40 . LEU . 16044 1 41 . LEU . 16044 1 42 . HIS . 16044 1 43 . PRO . 16044 1 44 . ASP . 16044 1 45 . LYS . 16044 1 46 . GLY . 16044 1 47 . GLY . 16044 1 48 . SER . 16044 1 49 . HIS . 16044 1 50 . ALA . 16044 1 51 . LEU . 16044 1 52 . MET . 16044 1 53 . GLN . 16044 1 54 . GLU . 16044 1 55 . LEU . 16044 1 56 . ASN . 16044 1 57 . SER . 16044 1 58 . LEU . 16044 1 59 . TRP . 16044 1 60 . GLY . 16044 1 61 . THR . 16044 1 62 . PHE . 16044 1 63 . LYS . 16044 1 64 . THR . 16044 1 65 . GLU . 16044 1 66 . VAL . 16044 1 67 . TYR . 16044 1 68 . ASN . 16044 1 69 . LEU . 16044 1 70 . ARG . 16044 1 71 . MET . 16044 1 72 . ASN . 16044 1 73 . LEU . 16044 1 74 . GLY . 16044 1 75 . GLY . 16044 1 76 . THR . 16044 1 77 . GLY . 16044 1 78 . PHE . 16044 1 79 . GLN . 16044 1 80 . GLY . 16044 1 81 . SER . 16044 1 82 . PRO . 16044 1 83 . PRO . 16044 1 84 . ARG . 16044 1 85 . THR . 16044 1 86 . ALA . 16044 1 87 . GLU . 16044 1 88 . ARG . 16044 1 89 . GLY . 16044 1 90 . THR . 16044 1 91 . GLU . 16044 1 92 . GLU . 16044 1 93 . SER . 16044 1 94 . GLY . 16044 1 95 . HIS . 16044 1 96 . SER . 16044 1 97 . PRO . 16044 1 98 . LEU . 16044 1 99 . HIS . 16044 1 100 . ASP . 16044 1 101 . ASP . 16044 1 102 . TYR . 16044 1 103 . TRP . 16044 1 104 . SER . 16044 1 105 . PHE . 16044 1 106 . SER . 16044 1 107 . TYR . 16044 1 108 . GLY . 16044 1 109 . SER . 16044 1 110 . LYS . 16044 1 111 . TYR . 16044 1 112 . PHE . 16044 1 113 . THR . 16044 1 114 . ARG . 16044 1 115 . GLU . 16044 1 116 . TRP . 16044 1 117 . ASN . 16044 1 118 . ASP . 16044 1 119 . PHE . 16044 1 120 . PHE . 16044 1 121 . ARG . 16044 1 122 . LYS . 16044 1 123 . TRP . 16044 1 124 . ASP . 16044 1 125 . PRO . 16044 1 126 . SER . 16044 1 127 . TYR . 16044 1 128 . GLN . 16044 1 129 . SER . 16044 1 130 . PRO . 16044 1 131 . PRO . 16044 1 132 . LYS . 16044 1 133 . THR . 16044 1 134 . ALA . 16044 1 135 . GLU . 16044 1 136 . SER . 16044 1 137 . SER . 16044 1 138 . GLU . 16044 1 139 . GLN . 16044 1 140 . PRO . 16044 1 141 . ASP . 16044 1 142 . LEU . 16044 1 143 . PHE . 16044 1 144 . CYS . 16044 1 145 . TYR . 16044 1 146 . GLU . 16044 1 147 . GLU . 16044 1 148 . PRO . 16044 1 149 . LEU . 16044 1 150 . LEU . 16044 1 151 . SER . 16044 1 152 . PRO . 16044 1 153 . ASN . 16044 1 154 . PRO . 16044 1 155 . SER . 16044 1 156 . SER . 16044 1 157 . PRO . 16044 1 158 . THR . 16044 1 159 . ASP . 16044 1 160 . THR . 16044 1 161 . PRO . 16044 1 162 . ALA . 16044 1 163 . HIS . 16044 1 164 . THR . 16044 1 165 . ALA . 16044 1 166 . GLY . 16044 1 167 . ARG . 16044 1 168 . ARG . 16044 1 169 . ARG . 16044 1 170 . ASN . 16044 1 171 . PRO . 16044 1 172 . CYS . 16044 1 173 . VAL . 16044 1 174 . ALA . 16044 1 175 . GLU . 16044 1 176 . PRO . 16044 1 177 . ASP . 16044 1 178 . ASP . 16044 1 179 . SER . 16044 1 180 . ILE . 16044 1 181 . SER . 16044 1 182 . PRO . 16044 1 183 . ASP . 16044 1 184 . PRO . 16044 1 185 . PRO . 16044 1 186 . ARG . 16044 1 187 . THR . 16044 1 188 . PRO . 16044 1 189 . VAL . 16044 1 190 . SER . 16044 1 191 . ARG . 16044 1 192 . LYS . 16044 1 193 . ARG . 16044 1 194 . PRO . 16044 1 195 . ARG . 16044 1 196 . PRO . 16044 1 197 . ALA . 16044 1 198 . GLY . 16044 1 199 . ALA . 16044 1 200 . THR . 16044 1 201 . GLY . 16044 1 202 . GLY . 16044 1 203 . GLY . 16044 1 204 . GLY . 16044 1 205 . GLY . 16044 1 206 . GLY . 16044 1 207 . VAL . 16044 1 208 . HIS . 16044 1 209 . ALA . 16044 1 210 . ASN . 16044 1 211 . GLY . 16044 1 212 . GLY . 16044 1 213 . SER . 16044 1 214 . VAL . 16044 1 215 . PHE . 16044 1 216 . GLY . 16044 1 217 . HIS . 16044 1 218 . PRO . 16044 1 219 . THR . 16044 1 220 . GLY . 16044 1 221 . GLY . 16044 1 222 . THR . 16044 1 223 . SER . 16044 1 224 . THR . 16044 1 225 . PRO . 16044 1 226 . ALA . 16044 1 227 . HIS . 16044 1 228 . PRO . 16044 1 229 . PRO . 16044 1 230 . PRO . 16044 1 231 . TYR . 16044 1 232 . HIS . 16044 1 233 . SER . 16044 1 234 . GLN . 16044 1 235 . GLY . 16044 1 236 . GLY . 16044 1 237 . SER . 16044 1 238 . GLU . 16044 1 239 . SER . 16044 1 240 . MET . 16044 1 241 . GLY . 16044 1 242 . GLY . 16044 1 243 . SER . 16044 1 244 . ASP . 16044 1 245 . SER . 16044 1 246 . SER . 16044 1 247 . GLY . 16044 1 248 . PHE . 16044 1 249 . ALA . 16044 1 250 . GLU . 16044 1 251 . GLY . 16044 1 252 . SER . 16044 1 253 . PHE . 16044 1 254 . ARG . 16044 1 255 . SER . 16044 1 256 . ASP . 16044 1 257 . GLY . 16044 1 258 . SER . 16044 1 259 . HIS . 16044 1 260 . HIS . 16044 1 261 . HIS . 16044 1 262 . HIS . 16044 1 263 . HIS . 16044 1 264 . HIS . 16044 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 16044 1 . ASP 2 2 16044 1 . ARG 3 3 16044 1 . VAL 4 4 16044 1 . LEU 5 5 16044 1 . SER 6 6 16044 1 . ARG 7 7 16044 1 . ALA 8 8 16044 1 . ASP 9 9 16044 1 . LYS 10 10 16044 1 . GLU 11 11 16044 1 . ARG 12 12 16044 1 . LEU 13 13 16044 1 . LEU 14 14 16044 1 . GLU 15 15 16044 1 . LEU 16 16 16044 1 . LEU 17 17 16044 1 . LYS 18 18 16044 1 . LEU 19 19 16044 1 . PRO 20 20 16044 1 . ARG 21 21 16044 1 . GLN 22 22 16044 1 . LEU 23 23 16044 1 . TRP 24 24 16044 1 . GLY 25 25 16044 1 . ASP 26 26 16044 1 . PHE 27 27 16044 1 . GLY 28 28 16044 1 . ARG 29 29 16044 1 . MET 30 30 16044 1 . GLN 31 31 16044 1 . GLN 32 32 16044 1 . ALA 33 33 16044 1 . TYR 34 34 16044 1 . LYS 35 35 16044 1 . GLN 36 36 16044 1 . GLN 37 37 16044 1 . SER 38 38 16044 1 . LEU 39 39 16044 1 . LEU 40 40 16044 1 . LEU 41 41 16044 1 . HIS 42 42 16044 1 . PRO 43 43 16044 1 . ASP 44 44 16044 1 . LYS 45 45 16044 1 . GLY 46 46 16044 1 . GLY 47 47 16044 1 . SER 48 48 16044 1 . HIS 49 49 16044 1 . ALA 50 50 16044 1 . LEU 51 51 16044 1 . MET 52 52 16044 1 . GLN 53 53 16044 1 . GLU 54 54 16044 1 . LEU 55 55 16044 1 . ASN 56 56 16044 1 . SER 57 57 16044 1 . LEU 58 58 16044 1 . TRP 59 59 16044 1 . GLY 60 60 16044 1 . THR 61 61 16044 1 . PHE 62 62 16044 1 . LYS 63 63 16044 1 . THR 64 64 16044 1 . GLU 65 65 16044 1 . VAL 66 66 16044 1 . TYR 67 67 16044 1 . ASN 68 68 16044 1 . LEU 69 69 16044 1 . ARG 70 70 16044 1 . MET 71 71 16044 1 . ASN 72 72 16044 1 . LEU 73 73 16044 1 . GLY 74 74 16044 1 . GLY 75 75 16044 1 . THR 76 76 16044 1 . GLY 77 77 16044 1 . PHE 78 78 16044 1 . GLN 79 79 16044 1 . GLY 80 80 16044 1 . SER 81 81 16044 1 . PRO 82 82 16044 1 . PRO 83 83 16044 1 . ARG 84 84 16044 1 . THR 85 85 16044 1 . ALA 86 86 16044 1 . GLU 87 87 16044 1 . ARG 88 88 16044 1 . GLY 89 89 16044 1 . THR 90 90 16044 1 . GLU 91 91 16044 1 . GLU 92 92 16044 1 . SER 93 93 16044 1 . GLY 94 94 16044 1 . HIS 95 95 16044 1 . SER 96 96 16044 1 . PRO 97 97 16044 1 . LEU 98 98 16044 1 . HIS 99 99 16044 1 . ASP 100 100 16044 1 . ASP 101 101 16044 1 . TYR 102 102 16044 1 . TRP 103 103 16044 1 . SER 104 104 16044 1 . PHE 105 105 16044 1 . SER 106 106 16044 1 . TYR 107 107 16044 1 . GLY 108 108 16044 1 . SER 109 109 16044 1 . LYS 110 110 16044 1 . TYR 111 111 16044 1 . PHE 112 112 16044 1 . THR 113 113 16044 1 . ARG 114 114 16044 1 . GLU 115 115 16044 1 . TRP 116 116 16044 1 . ASN 117 117 16044 1 . ASP 118 118 16044 1 . PHE 119 119 16044 1 . PHE 120 120 16044 1 . ARG 121 121 16044 1 . LYS 122 122 16044 1 . TRP 123 123 16044 1 . ASP 124 124 16044 1 . PRO 125 125 16044 1 . SER 126 126 16044 1 . TYR 127 127 16044 1 . GLN 128 128 16044 1 . SER 129 129 16044 1 . PRO 130 130 16044 1 . PRO 131 131 16044 1 . LYS 132 132 16044 1 . THR 133 133 16044 1 . ALA 134 134 16044 1 . GLU 135 135 16044 1 . SER 136 136 16044 1 . SER 137 137 16044 1 . GLU 138 138 16044 1 . GLN 139 139 16044 1 . PRO 140 140 16044 1 . ASP 141 141 16044 1 . LEU 142 142 16044 1 . PHE 143 143 16044 1 . CYS 144 144 16044 1 . TYR 145 145 16044 1 . GLU 146 146 16044 1 . GLU 147 147 16044 1 . PRO 148 148 16044 1 . LEU 149 149 16044 1 . LEU 150 150 16044 1 . SER 151 151 16044 1 . PRO 152 152 16044 1 . ASN 153 153 16044 1 . PRO 154 154 16044 1 . SER 155 155 16044 1 . SER 156 156 16044 1 . PRO 157 157 16044 1 . THR 158 158 16044 1 . ASP 159 159 16044 1 . THR 160 160 16044 1 . PRO 161 161 16044 1 . ALA 162 162 16044 1 . HIS 163 163 16044 1 . THR 164 164 16044 1 . ALA 165 165 16044 1 . GLY 166 166 16044 1 . ARG 167 167 16044 1 . ARG 168 168 16044 1 . ARG 169 169 16044 1 . ASN 170 170 16044 1 . PRO 171 171 16044 1 . CYS 172 172 16044 1 . VAL 173 173 16044 1 . ALA 174 174 16044 1 . GLU 175 175 16044 1 . PRO 176 176 16044 1 . ASP 177 177 16044 1 . ASP 178 178 16044 1 . SER 179 179 16044 1 . ILE 180 180 16044 1 . SER 181 181 16044 1 . PRO 182 182 16044 1 . ASP 183 183 16044 1 . PRO 184 184 16044 1 . PRO 185 185 16044 1 . ARG 186 186 16044 1 . THR 187 187 16044 1 . PRO 188 188 16044 1 . VAL 189 189 16044 1 . SER 190 190 16044 1 . ARG 191 191 16044 1 . LYS 192 192 16044 1 . ARG 193 193 16044 1 . PRO 194 194 16044 1 . ARG 195 195 16044 1 . PRO 196 196 16044 1 . ALA 197 197 16044 1 . GLY 198 198 16044 1 . ALA 199 199 16044 1 . THR 200 200 16044 1 . GLY 201 201 16044 1 . GLY 202 202 16044 1 . GLY 203 203 16044 1 . GLY 204 204 16044 1 . GLY 205 205 16044 1 . GLY 206 206 16044 1 . VAL 207 207 16044 1 . HIS 208 208 16044 1 . ALA 209 209 16044 1 . ASN 210 210 16044 1 . GLY 211 211 16044 1 . GLY 212 212 16044 1 . SER 213 213 16044 1 . VAL 214 214 16044 1 . PHE 215 215 16044 1 . GLY 216 216 16044 1 . HIS 217 217 16044 1 . PRO 218 218 16044 1 . THR 219 219 16044 1 . GLY 220 220 16044 1 . GLY 221 221 16044 1 . THR 222 222 16044 1 . SER 223 223 16044 1 . THR 224 224 16044 1 . PRO 225 225 16044 1 . ALA 226 226 16044 1 . HIS 227 227 16044 1 . PRO 228 228 16044 1 . PRO 229 229 16044 1 . PRO 230 230 16044 1 . TYR 231 231 16044 1 . HIS 232 232 16044 1 . SER 233 233 16044 1 . GLN 234 234 16044 1 . GLY 235 235 16044 1 . GLY 236 236 16044 1 . SER 237 237 16044 1 . GLU 238 238 16044 1 . SER 239 239 16044 1 . MET 240 240 16044 1 . GLY 241 241 16044 1 . GLY 242 242 16044 1 . SER 243 243 16044 1 . ASP 244 244 16044 1 . SER 245 245 16044 1 . SER 246 246 16044 1 . GLY 247 247 16044 1 . PHE 248 248 16044 1 . ALA 249 249 16044 1 . GLU 250 250 16044 1 . GLY 251 251 16044 1 . SER 252 252 16044 1 . PHE 253 253 16044 1 . ARG 254 254 16044 1 . SER 255 255 16044 1 . ASP 256 256 16044 1 . GLY 257 257 16044 1 . SER 258 258 16044 1 . HIS 259 259 16044 1 . HIS 260 260 16044 1 . HIS 261 261 16044 1 . HIS 262 262 16044 1 . HIS 263 263 16044 1 . HIS 264 264 16044 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 16044 _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 $PyLTNT . 10634 virus . 'Murine polyomavirus' 'Murine polyomavirus' . . Viruses . Polyomavirus 'Murine polyomavirus' . . . . . . . . . . . . . . . . . . . . . 16044 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 16044 _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 $PyLTNT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-30b . . . . . . 16044 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16044 _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 PyLTNT '[U-99% 15N]' . . 1 $PyLTNT . . 700 . . uM . . . . 16044 1 2 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 16044 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16044 _Sample.ID 2 _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 PyLTNT '[U-99% 13C; U-99% 15N]' . . 1 $PyLTNT . . 700 . . uM . . . . 16044 2 2 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 16044 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16044 _Sample.ID 3 _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 PyLTNT '[U-99% 13C; U-99% 15N]' . . 1 $PyLTNT . . 400 . . uM . . . . 16044 3 2 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 16044 3 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 16044 _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 16044 1 pH 7 0.1 pH 16044 1 pressure 1 . atm 16044 1 temperature 298 . K 16044 1 stop_ save_ ############################ # Computer software used # ############################ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 16044 _Software.ID 1 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16044 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16044 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16044 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16044 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16044 2 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 16044 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16044 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16044 _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 . 900 . . . 16044 1 2 spectrometer_2 Varian INOVA . 800 . . . 16044 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 16044 _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 . . . . . . . . . . . . . . . . . . . . . 16044 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 1 6 '3D HNN' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 1 7 '3D HNCN' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 1 8 '3D CBCACON' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 1 9 '3D CBCANCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 1 10 '2D CON' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16044 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 16044 _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 protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16044 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16044 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16044 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 16044 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' . . . 16044 1 2 '3D CBCA(CO)NH' . . . 16044 1 3 '3D HNCO' . . . 16044 1 4 '3D HNCA' . . . 16044 1 5 '3D HNCACB' . . . 16044 1 6 '3D HNN' . . . 16044 1 7 '3D HNCN' . . . 16044 1 8 '3D CBCACON' . . . 16044 1 9 '3D CBCANCO' . . . 16044 1 10 '2D CON' . . . 16044 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 6 6 SER H H 1 9.475 0.05 . 1 . . . . 6 S HN . 16044 1 2 . 1 1 6 6 SER N N 15 121.190 0.4 . 1 . . . . 6 S N . 16044 1 3 . 1 1 7 7 ARG H H 1 8.827 0.05 . 1 . . . . 7 R HN . 16044 1 4 . 1 1 7 7 ARG N N 15 121.691 0.4 . 1 . . . . 7 R N . 16044 1 5 . 1 1 17 17 LEU CA C 13 55.457 0.2 . 1 . . . . 17 L CA . 16044 1 6 . 1 1 18 18 LYS H H 1 7.762 0.05 . 1 . . . . 18 K HN . 16044 1 7 . 1 1 18 18 LYS C C 13 175.672 0.2 . 1 . . . . 18 K C . 16044 1 8 . 1 1 18 18 LYS CA C 13 58.786 0.2 . 1 . . . . 18 K CA . 16044 1 9 . 1 1 18 18 LYS N N 15 114.286 0.4 . 1 . . . . 18 K N . 16044 1 10 . 1 1 19 19 LEU H H 1 7.549 0.05 . 1 . . . . 19 L HN . 16044 1 11 . 1 1 19 19 LEU CA C 13 51.218 0.2 . 1 . . . . 19 L CA . 16044 1 12 . 1 1 19 19 LEU N N 15 117.983 0.4 . 1 . . . . 19 L N . 16044 1 13 . 1 1 22 22 GLN H H 1 8.827 0.05 . 1 . . . . 22 Q HN . 16044 1 14 . 1 1 22 22 GLN N N 15 116.686 0.4 . 1 . . . . 22 Q N . 16044 1 15 . 1 1 36 36 GLN CA C 13 58.486 0.2 . 1 . . . . 36 Q CA . 16044 1 16 . 1 1 37 37 GLN H H 1 8.974 0.05 . 1 . . . . 37 Q HN . 16044 1 17 . 1 1 37 37 GLN CA C 13 57.582 0.2 . 1 . . . . 37 Q CA . 16044 1 18 . 1 1 37 37 GLN N N 15 116.958 0.4 . 1 . . . . 37 Q N . 16044 1 19 . 1 1 38 38 SER H H 1 8.196 0.05 . 1 . . . . 38 S HN . 16044 1 20 . 1 1 38 38 SER C C 13 175.648 0.2 . 1 . . . . 38 S C . 16044 1 21 . 1 1 38 38 SER CA C 13 62.349 0.2 . 1 . . . . 38 S CA . 16044 1 22 . 1 1 38 38 SER N N 15 114.343 0.4 . 1 . . . . 38 S N . 16044 1 23 . 1 1 39 39 LEU H H 1 6.704 0.05 . 1 . . . . 39 L HN . 16044 1 24 . 1 1 39 39 LEU C C 13 178.844 0.2 . 1 . . . . 39 L C . 16044 1 25 . 1 1 39 39 LEU CA C 13 57.150 0.2 . 1 . . . . 39 L CA . 16044 1 26 . 1 1 39 39 LEU N N 15 119.329 0.4 . 1 . . . . 39 L N . 16044 1 27 . 1 1 40 40 LEU H H 1 7.201 0.05 . 1 . . . . 40 L HN . 16044 1 28 . 1 1 40 40 LEU CA C 13 56.551 0.2 . 1 . . . . 40 L CA . 16044 1 29 . 1 1 40 40 LEU N N 15 117.362 0.4 . 1 . . . . 40 L N . 16044 1 30 . 1 1 41 41 LEU H H 1 7.931 0.05 . 1 . . . . 41 L HN . 16044 1 31 . 1 1 41 41 LEU C C 13 175.658 0.2 . 1 . . . . 41 L C . 16044 1 32 . 1 1 41 41 LEU CA C 13 54.728 0.2 . 1 . . . . 41 L CA . 16044 1 33 . 1 1 41 41 LEU N N 15 116.542 0.4 . 1 . . . . 41 L N . 16044 1 34 . 1 1 42 42 HIS H H 1 7.130 0.05 . 1 . . . . 42 H HN . 16044 1 35 . 1 1 42 42 HIS CA C 13 56.600 0.2 . 1 . . . . 42 H CA . 16044 1 36 . 1 1 42 42 HIS N N 15 120.569 0.4 . 1 . . . . 42 H N . 16044 1 37 . 1 1 43 43 PRO CA C 13 65.097 0.2 . 1 . . . . 43 P CA . 16044 1 38 . 1 1 44 44 ASP H H 1 11.199 0.05 . 1 . . . . 44 D HN . 16044 1 39 . 1 1 44 44 ASP C C 13 177.540 0.2 . 1 . . . . 44 D C . 16044 1 40 . 1 1 44 44 ASP CA C 13 56.389 0.2 . 1 . . . . 44 D CA . 16044 1 41 . 1 1 44 44 ASP N N 15 122.420 0.4 . 1 . . . . 44 D N . 16044 1 42 . 1 1 45 45 LYS H H 1 7.990 0.05 . 1 . . . . 45 K HN . 16044 1 43 . 1 1 45 45 LYS C C 13 176.709 0.2 . 1 . . . . 45 K C . 16044 1 44 . 1 1 45 45 LYS CA C 13 54.578 0.2 . 1 . . . . 45 K CA . 16044 1 45 . 1 1 45 45 LYS N N 15 118.405 0.4 . 1 . . . . 45 K N . 16044 1 46 . 1 1 46 46 GLY H H 1 7.894 0.05 . 1 . . . . 46 G HN . 16044 1 47 . 1 1 46 46 GLY C C 13 175.055 0.2 . 1 . . . . 46 G C . 16044 1 48 . 1 1 46 46 GLY CA C 13 45.216 0.2 . 1 . . . . 46 G CA . 16044 1 49 . 1 1 46 46 GLY N N 15 107.611 0.4 . 1 . . . . 46 G N . 16044 1 50 . 1 1 47 47 GLY H H 1 7.720 0.05 . 1 . . . . 47 G HN . 16044 1 51 . 1 1 47 47 GLY C C 13 173.352 0.2 . 1 . . . . 47 G C . 16044 1 52 . 1 1 47 47 GLY CA C 13 43.991 0.2 . 1 . . . . 47 G CA . 16044 1 53 . 1 1 47 47 GLY N N 15 108.510 0.4 . 1 . . . . 47 G N . 16044 1 54 . 1 1 48 48 SER H H 1 8.082 0.05 . 1 . . . . 48 S HN . 16044 1 55 . 1 1 48 48 SER CA C 13 56.843 0.2 . 1 . . . . 48 S CA . 16044 1 56 . 1 1 48 48 SER N N 15 115.392 0.4 . 1 . . . . 48 S N . 16044 1 57 . 1 1 52 52 MET C C 13 178.691 0.2 . 1 . . . . 52 M C . 16044 1 58 . 1 1 52 52 MET CA C 13 58.742 0.2 . 1 . . . . 52 M CA . 16044 1 59 . 1 1 53 53 GLN H H 1 8.327 0.05 . 1 . . . . 53 Q HN . 16044 1 60 . 1 1 53 53 GLN N N 15 117.290 0.4 . 1 . . . . 53 Q N . 16044 1 61 . 1 1 54 54 GLU CA C 13 59.802 0.2 . 1 . . . . 54 E CA . 16044 1 62 . 1 1 55 55 LEU H H 1 8.546 0.05 . 1 . . . . 55 L HN . 16044 1 63 . 1 1 55 55 LEU CA C 13 58.687 0.2 . 1 . . . . 55 L CA . 16044 1 64 . 1 1 55 55 LEU N N 15 118.866 0.4 . 1 . . . . 55 L N . 16044 1 65 . 1 1 56 56 ASN H H 1 8.595 0.05 . 1 . . . . 56 N HN . 16044 1 66 . 1 1 56 56 ASN CA C 13 56.719 0.2 . 1 . . . . 56 N CA . 16044 1 67 . 1 1 56 56 ASN N N 15 116.100 0.4 . 1 . . . . 56 N N . 16044 1 68 . 1 1 57 57 SER H H 1 8.543 0.05 . 1 . . . . 57 S HN . 16044 1 69 . 1 1 57 57 SER CA C 13 61.765 0.2 . 1 . . . . 57 S CA . 16044 1 70 . 1 1 57 57 SER N N 15 117.656 0.4 . 1 . . . . 57 S N . 16044 1 71 . 1 1 59 59 TRP H H 1 9.225 0.05 . 1 . . . . 59 W HN . 16044 1 72 . 1 1 59 59 TRP CA C 13 59.560 0.2 . 1 . . . . 59 W CA . 16044 1 73 . 1 1 59 59 TRP N N 15 119.740 0.4 . 1 . . . . 59 W N . 16044 1 74 . 1 1 60 60 GLY H H 1 8.248 0.05 . 1 . . . . 60 G HN . 16044 1 75 . 1 1 60 60 GLY CA C 13 47.521 0.2 . 1 . . . . 60 G CA . 16044 1 76 . 1 1 60 60 GLY N N 15 104.185 0.4 . 1 . . . . 60 G N . 16044 1 77 . 1 1 64 64 THR H H 1 7.909 0.05 . 1 . . . . 64 T HN . 16044 1 78 . 1 1 64 64 THR CA C 13 58.731 0.2 . 1 . . . . 64 T CA . 16044 1 79 . 1 1 64 64 THR CB C 13 70.403 0.2 . 1 . . . . 64 T CB . 16044 1 80 . 1 1 64 64 THR N N 15 114.968 0.4 . 1 . . . . 64 T N . 16044 1 81 . 1 1 74 74 GLY C C 13 174.810 0.2 . 1 . . . . 74 G C . 16044 1 82 . 1 1 74 74 GLY CA C 13 45.655 0.2 . 1 . . . . 74 G CA . 16044 1 83 . 1 1 75 75 GLY H H 1 8.119 0.05 . 1 . . . . 75 G HN . 16044 1 84 . 1 1 75 75 GLY C C 13 177.203 0.2 . 1 . . . . 75 G C . 16044 1 85 . 1 1 75 75 GLY CA C 13 45.527 0.2 . 1 . . . . 75 G CA . 16044 1 86 . 1 1 75 75 GLY N N 15 108.386 0.4 . 1 . . . . 75 G N . 16044 1 87 . 1 1 76 76 THR H H 1 8.046 0.05 . 1 . . . . 76 T HN . 16044 1 88 . 1 1 76 76 THR CA C 13 62.086 0.2 . 1 . . . . 76 T CA . 16044 1 89 . 1 1 76 76 THR N N 15 112.441 0.4 . 1 . . . . 76 T N . 16044 1 90 . 1 1 77 77 GLY H H 1 8.330 0.05 . 1 . . . . 77 G HN . 16044 1 91 . 1 1 77 77 GLY N N 15 110.499 0.4 . 1 . . . . 77 G N . 16044 1 92 . 1 1 78 78 PHE H H 1 8.060 0.05 . 1 . . . . 78 F HN . 16044 1 93 . 1 1 78 78 PHE N N 15 120.028 0.4 . 1 . . . . 78 F N . 16044 1 94 . 1 1 79 79 GLN C C 13 175.883 0.2 . 1 . . . . 79 Q C . 16044 1 95 . 1 1 79 79 GLN CA C 13 55.880 0.2 . 1 . . . . 79 Q CA . 16044 1 96 . 1 1 79 79 GLN CB C 13 29.366 0.2 . 1 . . . . 79 Q CB . 16044 1 97 . 1 1 79 79 GLN CG C 13 33.766 0.2 . 1 . . . . 79 Q CG . 16044 1 98 . 1 1 80 80 GLY H H 1 7.849 0.05 . 1 . . . . 80 G HN . 16044 1 99 . 1 1 80 80 GLY C C 13 173.525 0.2 . 1 . . . . 80 G C . 16044 1 100 . 1 1 80 80 GLY CA C 13 45.189 0.2 . 1 . . . . 80 G CA . 16044 1 101 . 1 1 80 80 GLY N N 15 109.232 0.4 . 1 . . . . 80 G N . 16044 1 102 . 1 1 81 81 SER H H 1 8.124 0.05 . 1 . . . . 81 S HN . 16044 1 103 . 1 1 81 81 SER CA C 13 56.573 0.2 . 1 . . . . 81 S CA . 16044 1 104 . 1 1 81 81 SER CB C 13 63.243 0.2 . 1 . . . . 81 S CB . 16044 1 105 . 1 1 81 81 SER N N 15 116.776 0.4 . 1 . . . . 81 S N . 16044 1 106 . 1 1 84 84 ARG C C 13 176.550 0.2 . 1 . . . . 84 R C . 16044 1 107 . 1 1 84 84 ARG CA C 13 56.236 0.2 . 1 . . . . 84 R CA . 16044 1 108 . 1 1 84 84 ARG CB C 13 30.835 0.2 . 1 . . . . 84 R CB . 16044 1 109 . 1 1 84 84 ARG CD C 13 43.349 0.2 . 1 . . . . 84 R CD . 16044 1 110 . 1 1 84 84 ARG CG C 13 27.517 0.2 . 1 . . . . 84 R CG . 16044 1 111 . 1 1 85 85 THR H H 1 8.124 0.05 . 1 . . . . 85 T HN . 16044 1 112 . 1 1 85 85 THR C C 13 174.283 0.2 . 1 . . . . 85 T C . 16044 1 113 . 1 1 85 85 THR CA C 13 61.818 0.2 . 1 . . . . 85 T CA . 16044 1 114 . 1 1 85 85 THR CB C 13 69.884 0.2 . 1 . . . . 85 T CB . 16044 1 115 . 1 1 85 85 THR N N 15 115.083 0.4 . 1 . . . . 85 T N . 16044 1 116 . 1 1 86 86 ALA H H 1 8.335 0.05 . 1 . . . . 86 A HN . 16044 1 117 . 1 1 86 86 ALA HA H 1 4.305 0.05 . 1 . . . . 86 A HA . 16044 1 118 . 1 1 86 86 ALA HB1 H 1 1.351 0.05 . 1 . . . . 86 A HB1 . 16044 1 119 . 1 1 86 86 ALA HB2 H 1 1.351 0.05 . 1 . . . . 86 A HB2 . 16044 1 120 . 1 1 86 86 ALA HB3 H 1 1.351 0.05 . 1 . . . . 86 A HB3 . 16044 1 121 . 1 1 86 86 ALA C C 13 177.615 0.2 . 1 . . . . 86 A C . 16044 1 122 . 1 1 86 86 ALA CA C 13 52.650 0.2 . 1 . . . . 86 A CA . 16044 1 123 . 1 1 86 86 ALA CB C 13 19.313 0.2 . 1 . . . . 86 A CB . 16044 1 124 . 1 1 86 86 ALA N N 15 125.877 0.4 . 1 . . . . 86 A N . 16044 1 125 . 1 1 87 87 GLU H H 1 8.352 0.05 . 1 . . . . 87 E HN . 16044 1 126 . 1 1 87 87 GLU C C 13 176.548 0.2 . 1 . . . . 87 E C . 16044 1 127 . 1 1 87 87 GLU CA C 13 56.704 0.2 . 1 . . . . 87 E CA . 16044 1 128 . 1 1 87 87 GLU CB C 13 30.324 0.2 . 1 . . . . 87 E CB . 16044 1 129 . 1 1 87 87 GLU CG C 13 36.284 0.2 . 1 . . . . 87 E CG . 16044 1 130 . 1 1 87 87 GLU N N 15 120.219 0.4 . 1 . . . . 87 E N . 16044 1 131 . 1 1 88 88 ARG H H 1 8.388 0.05 . 1 . . . . 88 R HN . 16044 1 132 . 1 1 88 88 ARG HA H 1 4.315 0.05 . 1 . . . . 88 R HA . 16044 1 133 . 1 1 88 88 ARG C C 13 176.823 0.2 . 1 . . . . 88 R C . 16044 1 134 . 1 1 88 88 ARG CA C 13 56.349 0.2 . 1 . . . . 88 R CA . 16044 1 135 . 1 1 88 88 ARG CB C 13 30.852 0.2 . 1 . . . . 88 R CB . 16044 1 136 . 1 1 88 88 ARG CD C 13 43.327 0.2 . 1 . . . . 88 R CD . 16044 1 137 . 1 1 88 88 ARG CG C 13 27.275 0.2 . 1 . . . . 88 R CG . 16044 1 138 . 1 1 88 88 ARG N N 15 121.933 0.4 . 1 . . . . 88 R N . 16044 1 139 . 1 1 89 89 GLY H H 1 8.542 0.05 . 1 . . . . 89 G HN . 16044 1 140 . 1 1 89 89 GLY HA2 H 1 4.011 0.05 . 1 . . . . 89 G HA# . 16044 1 141 . 1 1 89 89 GLY HA3 H 1 4.011 0.05 . 1 . . . . 89 G HA# . 16044 1 142 . 1 1 89 89 GLY C C 13 174.519 0.2 . 1 . . . . 89 G C . 16044 1 143 . 1 1 89 89 GLY CA C 13 45.408 0.2 . 1 . . . . 89 G CA . 16044 1 144 . 1 1 89 89 GLY N N 15 110.221 0.4 . 1 . . . . 89 G N . 16044 1 145 . 1 1 90 90 THR H H 1 8.076 0.05 . 1 . . . . 90 T HN . 16044 1 146 . 1 1 90 90 THR HA H 1 4.775 0.05 . 1 . . . . 90 T HA . 16044 1 147 . 1 1 90 90 THR HB H 1 4.321 0.05 . 1 . . . . 90 T HB . 16044 1 148 . 1 1 90 90 THR C C 13 174.992 0.2 . 1 . . . . 90 T C . 16044 1 149 . 1 1 90 90 THR CA C 13 61.982 0.2 . 1 . . . . 90 T CA . 16044 1 150 . 1 1 90 90 THR CB C 13 69.745 0.2 . 1 . . . . 90 T CB . 16044 1 151 . 1 1 90 90 THR N N 15 112.972 0.4 . 1 . . . . 90 T N . 16044 1 152 . 1 1 91 91 GLU H H 1 8.621 0.05 . 1 . . . . 91 E HN . 16044 1 153 . 1 1 91 91 GLU HA H 1 4.262 0.05 . 1 . . . . 91 E HA . 16044 1 154 . 1 1 91 91 GLU C C 13 176.809 0.2 . 1 . . . . 91 E C . 16044 1 155 . 1 1 91 91 GLU CA C 13 57.003 0.2 . 1 . . . . 91 E CA . 16044 1 156 . 1 1 91 91 GLU CB C 13 30.065 0.2 . 1 . . . . 91 E CB . 16044 1 157 . 1 1 91 91 GLU CG C 13 36.303 0.2 . 1 . . . . 91 E CG . 16044 1 158 . 1 1 91 91 GLU N N 15 122.828 0.4 . 1 . . . . 91 E N . 16044 1 159 . 1 1 92 92 GLU H H 1 8.449 0.05 . 1 . . . . 92 E HN . 16044 1 160 . 1 1 92 92 GLU HA H 1 4.274 0.05 . 1 . . . . 92 E HA . 16044 1 161 . 1 1 92 92 GLU C C 13 176.658 0.2 . 1 . . . . 92 E C . 16044 1 162 . 1 1 92 92 GLU CA C 13 56.862 0.2 . 1 . . . . 92 E CA . 16044 1 163 . 1 1 92 92 GLU CB C 13 30.291 0.2 . 1 . . . . 92 E CB . 16044 1 164 . 1 1 92 92 GLU CG C 13 36.295 0.2 . 1 . . . . 92 E CG . 16044 1 165 . 1 1 92 92 GLU N N 15 121.626 0.4 . 1 . . . . 92 E N . 16044 1 166 . 1 1 93 93 SER H H 1 8.311 0.05 . 1 . . . . 93 S HN . 16044 1 167 . 1 1 93 93 SER C C 13 175.111 0.2 . 1 . . . . 93 S C . 16044 1 168 . 1 1 93 93 SER CA C 13 58.787 0.2 . 1 . . . . 93 S CA . 16044 1 169 . 1 1 93 93 SER CB C 13 63.877 0.2 . 1 . . . . 93 S CB . 16044 1 170 . 1 1 93 93 SER N N 15 116.577 0.4 . 1 . . . . 93 S N . 16044 1 171 . 1 1 94 94 GLY H H 1 8.372 0.05 . 1 . . . . 94 G HN . 16044 1 172 . 1 1 94 94 GLY CA C 13 45.398 0.2 . 1 . . . . 94 G CA . 16044 1 173 . 1 1 94 94 GLY N N 15 110.367 0.4 . 1 . . . . 94 G N . 16044 1 174 . 1 1 132 132 LYS C C 13 176.871 0.2 . 1 . . . . 132 K C . 16044 1 175 . 1 1 132 132 LYS CA C 13 56.355 0.2 . 1 . . . . 132 K CA . 16044 1 176 . 1 1 132 132 LYS CB C 13 33.066 0.2 . 1 . . . . 132 K CB . 16044 1 177 . 1 1 132 132 LYS CD C 13 29.073 0.2 . 1 . . . . 132 K CD . 16044 1 178 . 1 1 132 132 LYS CG C 13 24.678 0.2 . 1 . . . . 132 K CG . 16044 1 179 . 1 1 133 133 THR H H 1 8.143 0.05 . 1 . . . . 133 T HN . 16044 1 180 . 1 1 133 133 THR HA H 1 4.299 0.05 . 1 . . . . 133 T HA . 16044 1 181 . 1 1 133 133 THR C C 13 174.381 0.2 . 1 . . . . 133 T C . 16044 1 182 . 1 1 133 133 THR CA C 13 61.707 0.2 . 1 . . . . 133 T CA . 16044 1 183 . 1 1 133 133 THR CB C 13 69.927 0.2 . 1 . . . . 133 T CB . 16044 1 184 . 1 1 133 133 THR CG2 C 13 22.207 0.2 . 1 . . . . 133 T CG2 . 16044 1 185 . 1 1 133 133 THR N N 15 115.197 0.4 . 1 . . . . 133 T N . 16044 1 186 . 1 1 134 134 ALA H H 1 8.397 0.05 . 1 . . . . 134 A HN . 16044 1 187 . 1 1 134 134 ALA HB1 H 1 1.379 0.05 . 1 . . . . 134 A HB1 . 16044 1 188 . 1 1 134 134 ALA HB2 H 1 1.379 0.05 . 1 . . . . 134 A HB2 . 16044 1 189 . 1 1 134 134 ALA HB3 H 1 1.379 0.05 . 1 . . . . 134 A HB3 . 16044 1 190 . 1 1 134 134 ALA C C 13 177.821 0.2 . 1 . . . . 134 A C . 16044 1 191 . 1 1 134 134 ALA CA C 13 52.778 0.2 . 1 . . . . 134 A CA . 16044 1 192 . 1 1 134 134 ALA CB C 13 19.301 0.2 . 1 . . . . 134 A CB . 16044 1 193 . 1 1 134 134 ALA N N 15 126.064 0.4 . 1 . . . . 134 A N . 16044 1 194 . 1 1 135 135 GLU H H 1 8.410 0.05 . 1 . . . . 135 E HN . 16044 1 195 . 1 1 135 135 GLU HA H 1 4.281 0.05 . 1 . . . . 135 E HA . 16044 1 196 . 1 1 135 135 GLU C C 13 176.604 0.2 . 1 . . . . 135 E C . 16044 1 197 . 1 1 135 135 GLU CA C 13 56.871 0.2 . 1 . . . . 135 E CA . 16044 1 198 . 1 1 135 135 GLU CB C 13 30.259 0.2 . 1 . . . . 135 E CB . 16044 1 199 . 1 1 135 135 GLU CG C 13 36.522 0.2 . 1 . . . . 135 E CG . 16044 1 200 . 1 1 135 135 GLU N N 15 119.913 0.4 . 1 . . . . 135 E N . 16044 1 201 . 1 1 136 136 SER H H 1 8.300 0.05 . 1 . . . . 136 S HN . 16044 1 202 . 1 1 136 136 SER C C 13 174.689 0.2 . 1 . . . . 136 S C . 16044 1 203 . 1 1 136 136 SER CA C 13 58.469 0.2 . 1 . . . . 136 S CA . 16044 1 204 . 1 1 136 136 SER CB C 13 63.853 0.2 . 1 . . . . 136 S CB . 16044 1 205 . 1 1 136 136 SER N N 15 116.476 0.4 . 1 . . . . 136 S N . 16044 1 206 . 1 1 137 137 SER H H 1 8.352 0.05 . 1 . . . . 137 S HN . 16044 1 207 . 1 1 137 137 SER N N 15 117.875 0.4 . 1 . . . . 137 S N . 16044 1 208 . 1 1 140 140 PRO C C 13 176.520 0.2 . 1 . . . . 140 P C . 16044 1 209 . 1 1 140 140 PRO CA C 13 63.238 0.2 . 1 . . . . 140 P CA . 16044 1 210 . 1 1 140 140 PRO CB C 13 32.025 0.2 . 1 . . . . 140 P CB . 16044 1 211 . 1 1 141 141 ASP H H 1 8.389 0.05 . 1 . . . . 141 D HN . 16044 1 212 . 1 1 141 141 ASP HA H 1 4.535 0.05 . 1 . . . . 141 D HA . 16044 1 213 . 1 1 141 141 ASP C C 13 176.152 0.2 . 1 . . . . 141 D C . 16044 1 214 . 1 1 141 141 ASP CA C 13 54.351 0.2 . 1 . . . . 141 D CA . 16044 1 215 . 1 1 141 141 ASP CB C 13 41.078 0.2 . 1 . . . . 141 D CB . 16044 1 216 . 1 1 141 141 ASP N N 15 119.908 0.4 . 1 . . . . 141 D N . 16044 1 217 . 1 1 142 142 LEU H H 1 8.021 0.05 . 1 . . . . 142 L HN . 16044 1 218 . 1 1 142 142 LEU HA H 1 4.228 0.05 . 1 . . . . 142 L HA . 16044 1 219 . 1 1 142 142 LEU C C 13 173.757 0.2 . 1 . . . . 142 L C . 16044 1 220 . 1 1 142 142 LEU CA C 13 55.182 0.2 . 1 . . . . 142 L CA . 16044 1 221 . 1 1 142 142 LEU CB C 13 42.308 0.2 . 1 . . . . 142 L CB . 16044 1 222 . 1 1 142 142 LEU N N 15 122.150 0.4 . 1 . . . . 142 L N . 16044 1 223 . 1 1 143 143 PHE H H 1 8.188 0.05 . 1 . . . . 143 F HN . 16044 1 224 . 1 1 143 143 PHE HA H 1 4.372 0.05 . 1 . . . . 143 F HA . 16044 1 225 . 1 1 143 143 PHE CA C 13 54.699 0.2 . 1 . . . . 143 F CA . 16044 1 226 . 1 1 143 143 PHE CB C 13 42.538 0.2 . 1 . . . . 143 F CB . 16044 1 227 . 1 1 143 143 PHE N N 15 123.137 0.4 . 1 . . . . 143 F N . 16044 1 228 . 1 1 154 154 PRO C C 13 176.979 0.2 . 1 . . . . 154 P C . 16044 1 229 . 1 1 154 154 PRO CA C 13 63.243 0.2 . 1 . . . . 154 P CA . 16044 1 230 . 1 1 154 154 PRO CB C 13 32.094 0.2 . 1 . . . . 154 P CB . 16044 1 231 . 1 1 154 154 PRO CD C 13 50.626 0.2 . 1 . . . . 154 P CD . 16044 1 232 . 1 1 154 154 PRO CG C 13 27.537 0.2 . 1 . . . . 154 P CG . 16044 1 233 . 1 1 155 155 SER H H 1 8.380 0.05 . 1 . . . . 155 S HN . 16044 1 234 . 1 1 155 155 SER HA H 1 4.442 0.05 . 1 . . . . 155 S HA . 16044 1 235 . 1 1 155 155 SER C C 13 174.203 0.2 . 1 . . . . 155 S C . 16044 1 236 . 1 1 155 155 SER CA C 13 58.387 0.2 . 1 . . . . 155 S CA . 16044 1 237 . 1 1 155 155 SER CB C 13 63.837 0.2 . 1 . . . . 155 S CB . 16044 1 238 . 1 1 155 155 SER N N 15 115.791 0.4 . 1 . . . . 155 S N . 16044 1 239 . 1 1 156 156 SER H H 1 8.228 0.05 . 1 . . . . 156 S HN . 16044 1 240 . 1 1 156 156 SER CA C 13 59.793 0.2 . 1 . . . . 156 S CA . 16044 1 241 . 1 1 156 156 SER CB C 13 69.803 0.2 . 1 . . . . 156 S CB . 16044 1 242 . 1 1 156 156 SER N N 15 118.479 0.4 . 1 . . . . 156 S N . 16044 1 243 . 1 1 157 157 PRO C C 13 177.257 0.2 . 1 . . . . 157 P C . 16044 1 244 . 1 1 157 157 PRO CA C 13 63.627 0.2 . 1 . . . . 157 P CA . 16044 1 245 . 1 1 157 157 PRO CB C 13 32.203 0.2 . 1 . . . . 157 P CB . 16044 1 246 . 1 1 157 157 PRO CD C 13 50.810 0.2 . 1 . . . . 157 P CD . 16044 1 247 . 1 1 157 157 PRO CG C 13 27.597 0.2 . 1 . . . . 157 P CG . 16044 1 248 . 1 1 158 158 THR H H 1 8.127 0.05 . 1 . . . . 158 T HN . 16044 1 249 . 1 1 158 158 THR HA H 1 4.776 0.05 . 1 . . . . 158 T HA . 16044 1 250 . 1 1 158 158 THR HB H 1 4.299 0.05 . 1 . . . . 158 T HB . 16044 1 251 . 1 1 158 158 THR HG21 H 1 1.155 0.05 . 1 . . . . 158 T HG1 . 16044 1 252 . 1 1 158 158 THR HG22 H 1 1.155 0.05 . 1 . . . . 158 T HG1 . 16044 1 253 . 1 1 158 158 THR HG23 H 1 1.155 0.05 . 1 . . . . 158 T HG1 . 16044 1 254 . 1 1 158 158 THR C C 13 174.366 0.2 . 1 . . . . 158 T C . 16044 1 255 . 1 1 158 158 THR CA C 13 61.769 0.2 . 1 . . . . 158 T CA . 16044 1 256 . 1 1 158 158 THR CB C 13 69.635 0.2 . 1 . . . . 158 T CB . 16044 1 257 . 1 1 158 158 THR N N 15 112.532 0.4 . 1 . . . . 158 T N . 16044 1 258 . 1 1 159 159 ASP H H 1 8.200 0.05 . 1 . . . . 159 D HN . 16044 1 259 . 1 1 159 159 ASP HA H 1 4.642 0.05 . 1 . . . . 159 D HA . 16044 1 260 . 1 1 159 159 ASP C C 13 175.910 0.2 . 1 . . . . 159 D C . 16044 1 261 . 1 1 159 159 ASP CA C 13 54.353 0.2 . 1 . . . . 159 D CA . 16044 1 262 . 1 1 159 159 ASP CB C 13 41.278 0.2 . 1 . . . . 159 D CB . 16044 1 263 . 1 1 159 159 ASP N N 15 122.573 0.4 . 1 . . . . 159 D N . 16044 1 264 . 1 1 160 160 THR H H 1 8.102 0.05 . 1 . . . . 160 T HN . 16044 1 265 . 1 1 160 160 THR HA H 1 4.574 0.05 . 1 . . . . 160 T HA . 16044 1 266 . 1 1 160 160 THR C C 13 172.894 0.2 . 1 . . . . 160 T C . 16044 1 267 . 1 1 160 160 THR CA C 13 59.854 0.2 . 1 . . . . 160 T CA . 16044 1 268 . 1 1 160 160 THR CB C 13 69.742 0.2 . 1 . . . . 160 T CB . 16044 1 269 . 1 1 160 160 THR N N 15 116.437 0.4 . 1 . . . . 160 T N . 16044 1 270 . 1 1 161 161 PRO C C 13 176.824 0.2 . 1 . . . . 161 P C . 16044 1 271 . 1 1 161 161 PRO CA C 13 63.423 0.2 . 1 . . . . 161 P CA . 16044 1 272 . 1 1 161 161 PRO CB C 13 32.053 0.2 . 1 . . . . 161 P CB . 16044 1 273 . 1 1 161 161 PRO N N 15 138.841 0.4 . 1 . . . . 161 P N . 16044 1 274 . 1 1 162 162 ALA H H 1 8.362 0.05 . 1 . . . . 162 A HN . 16044 1 275 . 1 1 162 162 ALA HA H 1 4.586 0.05 . 1 . . . . 162 A HA . 16044 1 276 . 1 1 162 162 ALA HB1 H 1 1.319 0.05 . 1 . . . . 162 A HB1 . 16044 1 277 . 1 1 162 162 ALA HB2 H 1 1.319 0.05 . 1 . . . . 162 A HB2 . 16044 1 278 . 1 1 162 162 ALA HB3 H 1 1.319 0.05 . 1 . . . . 162 A HB3 . 16044 1 279 . 1 1 162 162 ALA C C 13 177.905 0.2 . 1 . . . . 162 A C . 16044 1 280 . 1 1 162 162 ALA CA C 13 52.849 0.2 . 1 . . . . 162 A CA . 16044 1 281 . 1 1 162 162 ALA CB C 13 19.132 0.2 . 1 . . . . 162 A CB . 16044 1 282 . 1 1 162 162 ALA N N 15 123.662 0.4 . 1 . . . . 162 A N . 16044 1 283 . 1 1 163 163 HIS H H 1 8.226 0.05 . 1 . . . . 163 H HN . 16044 1 284 . 1 1 163 163 HIS C C 13 175.724 0.2 . 1 . . . . 163 H C . 16044 1 285 . 1 1 163 163 HIS CA C 13 56.479 0.2 . 1 . . . . 163 H CA . 16044 1 286 . 1 1 163 163 HIS CB C 13 30.615 0.2 . 1 . . . . 163 H CB . 16044 1 287 . 1 1 163 163 HIS N N 15 118.137 0.4 . 1 . . . . 163 H N . 16044 1 288 . 1 1 164 164 THR H H 1 8.005 0.05 . 1 . . . . 164 T HN . 16044 1 289 . 1 1 164 164 THR C C 13 174.390 0.2 . 1 . . . . 164 T C . 16044 1 290 . 1 1 164 164 THR CA C 13 62.034 0.2 . 1 . . . . 164 T CA . 16044 1 291 . 1 1 164 164 THR CB C 13 69.743 0.2 . 1 . . . . 164 T CB . 16044 1 292 . 1 1 164 164 THR N N 15 115.112 0.4 . 1 . . . . 164 T N . 16044 1 293 . 1 1 165 165 ALA H H 1 8.311 0.05 . 1 . . . . 165 A HN . 16044 1 294 . 1 1 165 165 ALA HA H 1 4.292 0.05 . 1 . . . . 165 A HA . 16044 1 295 . 1 1 165 165 ALA HB1 H 1 1.381 0.05 . 1 . . . . 165 A HB1 . 16044 1 296 . 1 1 165 165 ALA HB2 H 1 1.381 0.05 . 1 . . . . 165 A HB2 . 16044 1 297 . 1 1 165 165 ALA HB3 H 1 1.381 0.05 . 1 . . . . 165 A HB3 . 16044 1 298 . 1 1 165 165 ALA C C 13 178.226 0.2 . 1 . . . . 165 A C . 16044 1 299 . 1 1 165 165 ALA CA C 13 52.933 0.2 . 1 . . . . 165 A CA . 16044 1 300 . 1 1 165 165 ALA CB C 13 19.212 0.2 . 1 . . . . 165 A CB . 16044 1 301 . 1 1 165 165 ALA N N 15 126.216 0.4 . 1 . . . . 165 A N . 16044 1 302 . 1 1 166 166 GLY H H 1 8.346 0.05 . 1 . . . . 166 G HN . 16044 1 303 . 1 1 166 166 GLY HA2 H 1 3.913 0.05 . 1 . . . . 166 G HA# . 16044 1 304 . 1 1 166 166 GLY HA3 H 1 3.913 0.05 . 1 . . . . 166 G HA# . 16044 1 305 . 1 1 166 166 GLY C C 13 174.137 0.2 . 1 . . . . 166 G C . 16044 1 306 . 1 1 166 166 GLY CA C 13 45.337 0.2 . 1 . . . . 166 G CA . 16044 1 307 . 1 1 166 166 GLY N N 15 107.965 0.4 . 1 . . . . 166 G N . 16044 1 308 . 1 1 167 167 ARG H H 1 8.101 0.05 . 1 . . . . 167 R HN . 16044 1 309 . 1 1 167 167 ARG C C 13 176.337 0.2 . 1 . . . . 167 R C . 16044 1 310 . 1 1 167 167 ARG CA C 13 56.084 0.2 . 1 . . . . 167 R CA . 16044 1 311 . 1 1 167 167 ARG CB C 13 30.860 0.2 . 1 . . . . 167 R CB . 16044 1 312 . 1 1 167 167 ARG CD C 13 43.389 0.2 . 1 . . . . 167 R CD . 16044 1 313 . 1 1 167 167 ARG CG C 13 27.392 0.2 . 1 . . . . 167 R CG . 16044 1 314 . 1 1 167 167 ARG N N 15 120.502 0.4 . 1 . . . . 167 R N . 16044 1 315 . 1 1 168 168 ARG H H 1 8.393 0.05 . 1 . . . . 168 R HN . 16044 1 316 . 1 1 168 168 ARG HA H 1 4.288 0.05 . 1 . . . . 168 R HA . 16044 1 317 . 1 1 168 168 ARG N N 15 122.553 0.4 . 1 . . . . 168 R N . 16044 1 318 . 1 1 170 170 ASN C C 13 173.933 0.2 . 1 . . . . 170 N C . 16044 1 319 . 1 1 170 170 ASN CA C 13 53.602 0.2 . 1 . . . . 170 N CA . 16044 1 320 . 1 1 170 170 ASN CB C 13 29.121 0.2 . 1 . . . . 170 N CB . 16044 1 321 . 1 1 171 171 PRO C C 13 176.757 0.2 . 1 . . . . 171 P C . 16044 1 322 . 1 1 171 171 PRO CA C 13 63.512 0.2 . 1 . . . . 171 P CA . 16044 1 323 . 1 1 171 171 PRO CB C 13 32.221 0.2 . 1 . . . . 171 P CB . 16044 1 324 . 1 1 171 171 PRO CD C 13 50.734 0.2 . 1 . . . . 171 P CD . 16044 1 325 . 1 1 171 171 PRO CG C 13 27.503 0.2 . 1 . . . . 171 P CG . 16044 1 326 . 1 1 171 171 PRO N N 15 136.758 0.4 . 1 . . . . 171 P N . 16044 1 327 . 1 1 172 172 CYS H H 1 8.361 0.05 . 1 . . . . 172 C HN . 16044 1 328 . 1 1 172 172 CYS C C 13 174.495 0.2 . 1 . . . . 172 C C . 16044 1 329 . 1 1 172 172 CYS CA C 13 58.791 0.2 . 1 . . . . 172 C CA . 16044 1 330 . 1 1 172 172 CYS CB C 13 28.011 0.2 . 1 . . . . 172 C CB . 16044 1 331 . 1 1 172 172 CYS N N 15 118.818 0.4 . 1 . . . . 172 C N . 16044 1 332 . 1 1 173 173 VAL H H 1 8.019 0.05 . 1 . . . . 173 V HN . 16044 1 333 . 1 1 173 173 VAL HA H 1 4.119 0.05 . 1 . . . . 173 V HA . 16044 1 334 . 1 1 173 173 VAL C C 13 175.370 0.2 . 1 . . . . 173 V C . 16044 1 335 . 1 1 173 173 VAL CA C 13 62.059 0.2 . 1 . . . . 173 V CA . 16044 1 336 . 1 1 173 173 VAL CB C 13 33.009 0.2 . 1 . . . . 173 V CB . 16044 1 337 . 1 1 173 173 VAL CG1 C 13 20.835 0.2 . 1 . . . . 173 V CG1 . 16044 1 338 . 1 1 173 173 VAL N N 15 121.746 0.4 . 1 . . . . 173 V N . 16044 1 339 . 1 1 174 174 ALA H H 1 8.311 0.05 . 1 . . . . 174 A HN . 16044 1 340 . 1 1 174 174 ALA HA H 1 4.315 0.05 . 1 . . . . 174 A HA . 16044 1 341 . 1 1 174 174 ALA HB1 H 1 1.334 0.05 . 1 . . . . 174 A HB1 . 16044 1 342 . 1 1 174 174 ALA HB2 H 1 1.334 0.05 . 1 . . . . 174 A HB2 . 16044 1 343 . 1 1 174 174 ALA HB3 H 1 1.334 0.05 . 1 . . . . 174 A HB3 . 16044 1 344 . 1 1 174 174 ALA C C 13 177.239 0.2 . 1 . . . . 174 A C . 16044 1 345 . 1 1 174 174 ALA CA C 13 52.264 0.2 . 1 . . . . 174 A CA . 16044 1 346 . 1 1 174 174 ALA CB C 13 19.502 0.2 . 1 . . . . 174 A CB . 16044 1 347 . 1 1 174 174 ALA N N 15 127.718 0.4 . 1 . . . . 174 A N . 16044 1 348 . 1 1 175 175 GLU H H 1 8.356 0.05 . 1 . . . . 175 E HN . 16044 1 349 . 1 1 175 175 GLU C C 13 173.435 0.2 . 1 . . . . 175 E C . 16044 1 350 . 1 1 175 175 GLU CA C 13 54.353 0.2 . 1 . . . . 175 E CA . 16044 1 351 . 1 1 175 175 GLU CB C 13 29.854 0.2 . 1 . . . . 175 E CB . 16044 1 352 . 1 1 175 175 GLU N N 15 121.765 0.4 . 1 . . . . 175 E N . 16044 1 353 . 1 1 176 176 PRO C C 13 176.692 0.2 . 1 . . . . 176 P C . 16044 1 354 . 1 1 176 176 PRO CA C 13 63.346 0.2 . 1 . . . . 176 P CA . 16044 1 355 . 1 1 176 176 PRO CB C 13 32.177 0.2 . 1 . . . . 176 P CB . 16044 1 356 . 1 1 176 176 PRO CD C 13 50.656 0.2 . 1 . . . . 176 P CD . 16044 1 357 . 1 1 176 176 PRO CG C 13 27.574 0.2 . 1 . . . . 176 P CG . 16044 1 358 . 1 1 176 176 PRO N N 15 136.991 0.4 . 1 . . . . 176 P N . 16044 1 359 . 1 1 177 177 ASP H H 1 8.398 0.05 . 1 . . . . 177 D HN . 16044 1 360 . 1 1 177 177 ASP HA H 1 4.581 0.05 . 1 . . . . 177 D HA . 16044 1 361 . 1 1 177 177 ASP C C 13 176.180 0.2 . 1 . . . . 177 D C . 16044 1 362 . 1 1 177 177 ASP CA C 13 54.316 0.2 . 1 . . . . 177 D CA . 16044 1 363 . 1 1 177 177 ASP CB C 13 41.257 0.2 . 1 . . . . 177 D CB . 16044 1 364 . 1 1 177 177 ASP N N 15 120.609 0.4 . 1 . . . . 177 D N . 16044 1 365 . 1 1 178 178 ASP H H 1 8.297 0.05 . 1 . . . . 178 D HN . 16044 1 366 . 1 1 178 178 ASP HA H 1 4.590 0.05 . 1 . . . . 178 D HA . 16044 1 367 . 1 1 178 178 ASP C C 13 176.501 0.2 . 1 . . . . 178 D C . 16044 1 368 . 1 1 178 178 ASP CA C 13 54.425 0.2 . 1 . . . . 178 D CA . 16044 1 369 . 1 1 178 178 ASP CB C 13 41.055 0.2 . 1 . . . . 178 D CB . 16044 1 370 . 1 1 178 178 ASP N N 15 121.436 0.4 . 1 . . . . 178 D N . 16044 1 371 . 1 1 179 179 SER H H 1 8.303 0.05 . 1 . . . . 179 S HN . 16044 1 372 . 1 1 179 179 SER HA H 1 4.375 0.05 . 1 . . . . 179 S HA . 16044 1 373 . 1 1 179 179 SER C C 13 174.446 0.2 . 1 . . . . 179 S C . 16044 1 374 . 1 1 179 179 SER CA C 13 58.947 0.2 . 1 . . . . 179 S CA . 16044 1 375 . 1 1 179 179 SER CB C 13 63.860 0.2 . 1 . . . . 179 S CB . 16044 1 376 . 1 1 179 179 SER N N 15 115.856 0.4 . 1 . . . . 179 S N . 16044 1 377 . 1 1 180 180 ILE H H 1 7.961 0.05 . 1 . . . . 180 I HN . 16044 1 378 . 1 1 180 180 ILE HA H 1 4.199 0.05 . 1 . . . . 180 I HA . 16044 1 379 . 1 1 180 180 ILE C C 13 176.117 0.2 . 1 . . . . 180 I C . 16044 1 380 . 1 1 180 180 ILE CA C 13 60.948 0.2 . 1 . . . . 180 I CA . 16044 1 381 . 1 1 180 180 ILE CB C 13 38.766 0.2 . 1 . . . . 180 I CB . 16044 1 382 . 1 1 180 180 ILE CD1 C 13 12.605 0.2 . 1 . . . . 180 I CD1 . 16044 1 383 . 1 1 180 180 ILE CG1 C 13 27.334 0.2 . 1 . . . . 180 I CG1 . 16044 1 384 . 1 1 180 180 ILE CG2 C 13 17.609 0.2 . 1 . . . . 180 I CG2 . 16044 1 385 . 1 1 180 180 ILE N N 15 121.813 0.4 . 1 . . . . 180 I N . 16044 1 386 . 1 1 181 181 SER H H 1 8.395 0.05 . 1 . . . . 181 S HN . 16044 1 387 . 1 1 181 181 SER HA H 1 3.826 0.05 . 1 . . . . 181 S HA . 16044 1 388 . 1 1 181 181 SER C C 13 172.691 0.2 . 1 . . . . 181 S C . 16044 1 389 . 1 1 181 181 SER CA C 13 56.171 0.2 . 1 . . . . 181 S CA . 16044 1 390 . 1 1 181 181 SER CB C 13 63.397 0.2 . 1 . . . . 181 S CB . 16044 1 391 . 1 1 181 181 SER N N 15 121.401 0.4 . 1 . . . . 181 S N . 16044 1 392 . 1 1 182 182 PRO C C 13 176.444 0.2 . 1 . . . . 182 P C . 16044 1 393 . 1 1 182 182 PRO CA C 13 63.015 0.2 . 1 . . . . 182 P CA . 16044 1 394 . 1 1 182 182 PRO CB C 13 32.136 0.2 . 1 . . . . 182 P CB . 16044 1 395 . 1 1 182 182 PRO CD C 13 50.752 0.2 . 1 . . . . 182 P CD . 16044 1 396 . 1 1 182 182 PRO CG C 13 27.375 0.2 . 1 . . . . 182 P CG . 16044 1 397 . 1 1 182 182 PRO N N 15 137.276 0.4 . 1 . . . . 182 P N . 16044 1 398 . 1 1 183 183 ASP H H 1 8.285 0.05 . 1 . . . . 183 D HN . 16044 1 399 . 1 1 183 183 ASP HA H 1 4.785 0.05 . 1 . . . . 183 D HA . 16044 1 400 . 1 1 183 183 ASP C C 13 173.666 0.2 . 1 . . . . 183 D C . 16044 1 401 . 1 1 183 183 ASP CA C 13 52.871 0.2 . 1 . . . . 183 D CA . 16044 1 402 . 1 1 183 183 ASP CB C 13 40.327 0.2 . 1 . . . . 183 D CB . 16044 1 403 . 1 1 183 183 ASP N N 15 121.714 0.4 . 1 . . . . 183 D N . 16044 1 404 . 1 1 184 184 PRO CA C 13 61.560 0.2 . 1 . . . . 184 P CA . 16044 1 405 . 1 1 184 184 PRO CB C 13 30.808 0.2 . 1 . . . . 184 P CB . 16044 1 406 . 1 1 184 184 PRO N N 15 137.218 0.4 . 1 . . . . 184 P N . 16044 1 407 . 1 1 186 186 ARG H H 1 8.354 0.05 . 1 . . . . 186 R HN . 16044 1 408 . 1 1 186 186 ARG CA C 13 56.492 0.2 . 1 . . . . 186 R CA . 16044 1 409 . 1 1 186 186 ARG CB C 13 30.408 0.2 . 1 . . . . 186 R CB . 16044 1 410 . 1 1 186 186 ARG N N 15 122.368 0.4 . 1 . . . . 186 R N . 16044 1 411 . 1 1 187 187 THR H H 1 8.053 0.05 . 1 . . . . 187 T HN . 16044 1 412 . 1 1 187 187 THR C C 13 172.743 0.2 . 1 . . . . 187 T C . 16044 1 413 . 1 1 187 187 THR CA C 13 59.859 0.2 . 1 . . . . 187 T CA . 16044 1 414 . 1 1 187 187 THR CB C 13 69.833 0.2 . 1 . . . . 187 T CB . 16044 1 415 . 1 1 187 187 THR N N 15 111.799 0.4 . 1 . . . . 187 T N . 16044 1 416 . 1 1 188 188 PRO C C 13 177.047 0.2 . 1 . . . . 188 P C . 16044 1 417 . 1 1 188 188 PRO CA C 13 63.322 0.2 . 1 . . . . 188 P CA . 16044 1 418 . 1 1 188 188 PRO CB C 13 32.167 0.2 . 1 . . . . 188 P CB . 16044 1 419 . 1 1 188 188 PRO CD C 13 51.192 0.2 . 1 . . . . 188 P CD . 16044 1 420 . 1 1 188 188 PRO CG C 13 27.682 0.2 . 1 . . . . 188 P CG . 16044 1 421 . 1 1 188 188 PRO N N 15 138.845 0.4 . 1 . . . . 188 P N . 16044 1 422 . 1 1 189 189 VAL H H 1 8.209 0.05 . 1 . . . . 189 V HN . 16044 1 423 . 1 1 189 189 VAL HA H 1 4.061 0.05 . 1 . . . . 189 V HA . 16044 1 424 . 1 1 189 189 VAL HB H 1 2.046 0.05 . 1 . . . . 189 V HB . 16044 1 425 . 1 1 189 189 VAL HG11 H 1 0.704 0.05 . 1 . . . . 189 V HG11 . 16044 1 426 . 1 1 189 189 VAL HG12 H 1 0.704 0.05 . 1 . . . . 189 V HG12 . 16044 1 427 . 1 1 189 189 VAL HG13 H 1 0.704 0.05 . 1 . . . . 189 V HG13 . 16044 1 428 . 1 1 189 189 VAL HG21 H 1 0.933 0.05 . 1 . . . . 189 V HG21 . 16044 1 429 . 1 1 189 189 VAL HG22 H 1 0.933 0.05 . 1 . . . . 189 V HG22 . 16044 1 430 . 1 1 189 189 VAL HG23 H 1 0.933 0.05 . 1 . . . . 189 V HG23 . 16044 1 431 . 1 1 189 189 VAL C C 13 176.366 0.2 . 1 . . . . 189 V C . 16044 1 432 . 1 1 189 189 VAL CA C 13 62.581 0.2 . 1 . . . . 189 V CA . 16044 1 433 . 1 1 189 189 VAL CB C 13 32.696 0.2 . 1 . . . . 189 V CB . 16044 1 434 . 1 1 189 189 VAL CG1 C 13 20.904 0.2 . 1 . . . . 189 V CG1 . 16044 1 435 . 1 1 189 189 VAL N N 15 120.187 0.4 . 1 . . . . 189 V N . 16044 1 436 . 1 1 190 190 SER H H 1 8.327 0.05 . 1 . . . . 190 S HN . 16044 1 437 . 1 1 190 190 SER C C 13 174.610 0.2 . 1 . . . . 190 S C . 16044 1 438 . 1 1 190 190 SER CA C 13 58.302 0.2 . 1 . . . . 190 S CA . 16044 1 439 . 1 1 190 190 SER CB C 13 63.739 0.2 . 1 . . . . 190 S CB . 16044 1 440 . 1 1 190 190 SER N N 15 119.238 0.4 . 1 . . . . 190 S N . 16044 1 441 . 1 1 191 191 ARG H H 1 8.385 0.05 . 1 . . . . 191 R HN . 16044 1 442 . 1 1 191 191 ARG CA C 13 56.133 0.2 . 1 . . . . 191 R CA . 16044 1 443 . 1 1 191 191 ARG CB C 13 30.932 0.2 . 1 . . . . 191 R CB . 16044 1 444 . 1 1 191 191 ARG N N 15 123.517 0.4 . 1 . . . . 191 R N . 16044 1 445 . 1 1 194 194 PRO C C 13 176.280 0.2 . 1 . . . . 194 P C . 16044 1 446 . 1 1 194 194 PRO CA C 13 56.285 0.2 . 1 . . . . 194 P CA . 16044 1 447 . 1 1 194 194 PRO CB C 13 33.098 0.2 . 1 . . . . 194 P CB . 16044 1 448 . 1 1 195 195 ARG H H 1 8.373 0.05 . 1 . . . . 195 R HN . 16044 1 449 . 1 1 195 195 ARG C C 13 174.130 0.2 . 1 . . . . 195 R C . 16044 1 450 . 1 1 195 195 ARG CA C 13 43.271 0.2 . 1 . . . . 195 R CA . 16044 1 451 . 1 1 195 195 ARG CB C 13 30.287 0.2 . 1 . . . . 195 R CB . 16044 1 452 . 1 1 195 195 ARG N N 15 123.799 0.4 . 1 . . . . 195 R N . 16044 1 453 . 1 1 196 196 PRO C C 13 176.658 0.2 . 1 . . . . 196 P C . 16044 1 454 . 1 1 196 196 PRO CA C 13 63.056 0.2 . 1 . . . . 196 P CA . 16044 1 455 . 1 1 196 196 PRO CB C 13 32.119 0.2 . 1 . . . . 196 P CB . 16044 1 456 . 1 1 196 196 PRO CD C 13 50.691 0.2 . 1 . . . . 196 P CD . 16044 1 457 . 1 1 196 196 PRO CG C 13 27.682 0.2 . 1 . . . . 196 P CG . 16044 1 458 . 1 1 196 196 PRO N N 15 136.864 0.4 . 1 . . . . 196 P N . 16044 1 459 . 1 1 197 197 ALA H H 1 8.466 0.05 . 1 . . . . 197 A HN . 16044 1 460 . 1 1 197 197 ALA HA H 1 4.262 0.05 . 1 . . . . 197 A HA . 16044 1 461 . 1 1 197 197 ALA C C 13 178.418 0.2 . 1 . . . . 197 A C . 16044 1 462 . 1 1 197 197 ALA CA C 13 52.794 0.2 . 1 . . . . 197 A CA . 16044 1 463 . 1 1 197 197 ALA CB C 13 19.223 0.2 . 1 . . . . 197 A CB . 16044 1 464 . 1 1 197 197 ALA N N 15 124.774 0.4 . 1 . . . . 197 A N . 16044 1 465 . 1 1 198 198 GLY H H 1 8.377 0.05 . 1 . . . . 198 G HN . 16044 1 466 . 1 1 198 198 GLY HA2 H 1 3.922 0.05 . 1 . . . . 198 G HA# . 16044 1 467 . 1 1 198 198 GLY HA3 H 1 3.922 0.05 . 1 . . . . 198 G HA# . 16044 1 468 . 1 1 198 198 GLY C C 13 174.007 0.2 . 1 . . . . 198 G C . 16044 1 469 . 1 1 198 198 GLY CA C 13 45.179 0.2 . 1 . . . . 198 G CA . 16044 1 470 . 1 1 198 198 GLY N N 15 108.148 0.4 . 1 . . . . 198 G N . 16044 1 471 . 1 1 199 199 ALA H H 1 8.174 0.05 . 1 . . . . 199 A HN . 16044 1 472 . 1 1 199 199 ALA HA H 1 4.371 0.05 . 1 . . . . 199 A HA . 16044 1 473 . 1 1 199 199 ALA HB1 H 1 1.380 0.05 . 1 . . . . 199 A HB1 . 16044 1 474 . 1 1 199 199 ALA HB2 H 1 1.380 0.05 . 1 . . . . 199 A HB2 . 16044 1 475 . 1 1 199 199 ALA HB3 H 1 1.380 0.05 . 1 . . . . 199 A HB3 . 16044 1 476 . 1 1 199 199 ALA C C 13 178.249 0.2 . 1 . . . . 199 A C . 16044 1 477 . 1 1 199 199 ALA CA C 13 52.589 0.2 . 1 . . . . 199 A CA . 16044 1 478 . 1 1 199 199 ALA CB C 13 19.396 0.2 . 1 . . . . 199 A CB . 16044 1 479 . 1 1 199 199 ALA N N 15 123.772 0.4 . 1 . . . . 199 A N . 16044 1 480 . 1 1 200 200 THR H H 1 8.209 0.05 . 1 . . . . 200 T HN . 16044 1 481 . 1 1 200 200 THR HA H 1 4.774 0.05 . 1 . . . . 200 T HA . 16044 1 482 . 1 1 200 200 THR HB H 1 4.342 0.05 . 1 . . . . 200 T HB . 16044 1 483 . 1 1 200 200 THR C C 13 175.312 0.2 . 1 . . . . 200 T C . 16044 1 484 . 1 1 200 200 THR CA C 13 61.942 0.2 . 1 . . . . 200 T CA . 16044 1 485 . 1 1 200 200 THR CB C 13 69.868 0.2 . 1 . . . . 200 T CB . 16044 1 486 . 1 1 200 200 THR N N 15 112.868 0.4 . 1 . . . . 200 T N . 16044 1 487 . 1 1 201 201 GLY H H 1 8.425 0.05 . 1 . . . . 201 G HN . 16044 1 488 . 1 1 201 201 GLY C C 13 174.756 0.2 . 1 . . . . 201 G C . 16044 1 489 . 1 1 201 201 GLY CA C 13 45.374 0.2 . 1 . . . . 201 G CA . 16044 1 490 . 1 1 201 201 GLY N N 15 111.072 0.4 . 1 . . . . 201 G N . 16044 1 491 . 1 1 202 202 GLY H H 1 8.352 0.05 . 1 . . . . 202 G HN . 16044 1 492 . 1 1 202 202 GLY HA2 H 1 3.946 0.05 . 1 . . . . 202 G HA# . 16044 1 493 . 1 1 202 202 GLY HA3 H 1 3.946 0.05 . 1 . . . . 202 G HA# . 16044 1 494 . 1 1 202 202 GLY N N 15 108.811 0.4 . 1 . . . . 202 G N . 16044 1 495 . 1 1 205 205 GLY H H 1 8.405 0.05 . 1 . . . . 205 G HN . 16044 1 496 . 1 1 205 205 GLY HA2 H 1 3.911 0.05 . 1 . . . . 205 G HA# . 16044 1 497 . 1 1 205 205 GLY HA3 H 1 3.911 0.05 . 1 . . . . 205 G HA# . 16044 1 498 . 1 1 205 205 GLY C C 13 174.688 0.2 . 1 . . . . 205 G C . 16044 1 499 . 1 1 205 205 GLY CA C 13 45.730 0.2 . 1 . . . . 205 G CA . 16044 1 500 . 1 1 205 205 GLY N N 15 114.303 0.4 . 1 . . . . 205 G N . 16044 1 501 . 1 1 206 206 GLY H H 1 8.307 0.05 . 1 . . . . 206 G HN . 16044 1 502 . 1 1 206 206 GLY HA2 H 1 3.955 0.05 . 1 . . . . 206 G HA# . 16044 1 503 . 1 1 206 206 GLY HA3 H 1 3.955 0.05 . 1 . . . . 206 G HA# . 16044 1 504 . 1 1 206 206 GLY C C 13 174.277 0.2 . 1 . . . . 206 G C . 16044 1 505 . 1 1 206 206 GLY CA C 13 45.160 0.2 . 1 . . . . 206 G CA . 16044 1 506 . 1 1 206 206 GLY N N 15 108.810 0.4 . 1 . . . . 206 G N . 16044 1 507 . 1 1 207 207 VAL H H 1 8.000 0.05 . 1 . . . . 207 V HN . 16044 1 508 . 1 1 207 207 VAL HA H 1 4.042 0.05 . 1 . . . . 207 V HA . 16044 1 509 . 1 1 207 207 VAL C C 13 176.161 0.2 . 1 . . . . 207 V C . 16044 1 510 . 1 1 207 207 VAL CA C 13 62.546 0.2 . 1 . . . . 207 V CA . 16044 1 511 . 1 1 207 207 VAL CB C 13 32.577 0.2 . 1 . . . . 207 V CB . 16044 1 512 . 1 1 207 207 VAL N N 15 119.036 0.4 . 1 . . . . 207 V N . 16044 1 513 . 1 1 208 208 HIS H H 1 8.372 0.05 . 1 . . . . 208 H HN . 16044 1 514 . 1 1 208 208 HIS C C 13 175.176 0.2 . 1 . . . . 208 H C . 16044 1 515 . 1 1 208 208 HIS CA C 13 56.005 0.2 . 1 . . . . 208 H CA . 16044 1 516 . 1 1 208 208 HIS CB C 13 30.694 0.2 . 1 . . . . 208 H CB . 16044 1 517 . 1 1 208 208 HIS N N 15 122.750 0.4 . 1 . . . . 208 H N . 16044 1 518 . 1 1 209 209 ALA H H 1 8.239 0.05 . 1 . . . . 209 A HN . 16044 1 519 . 1 1 209 209 ALA C C 13 177.539 0.2 . 1 . . . . 209 A C . 16044 1 520 . 1 1 209 209 ALA CA C 13 52.745 0.2 . 1 . . . . 209 A CA . 16044 1 521 . 1 1 209 209 ALA CB C 13 19.229 0.2 . 1 . . . . 209 A CB . 16044 1 522 . 1 1 209 209 ALA N N 15 125.310 0.4 . 1 . . . . 209 A N . 16044 1 523 . 1 1 210 210 ASN H H 1 8.562 0.05 . 1 . . . . 210 N HN . 16044 1 524 . 1 1 210 210 ASN C C 13 175.867 0.2 . 1 . . . . 210 N C . 16044 1 525 . 1 1 210 210 ASN CA C 13 53.341 0.2 . 1 . . . . 210 N CA . 16044 1 526 . 1 1 210 210 ASN CB C 13 38.970 0.2 . 1 . . . . 210 N CB . 16044 1 527 . 1 1 210 210 ASN N N 15 117.952 0.4 . 1 . . . . 210 N N . 16044 1 528 . 1 1 211 211 GLY H H 1 8.381 0.05 . 1 . . . . 211 G HN . 16044 1 529 . 1 1 211 211 GLY C C 13 174.694 0.2 . 1 . . . . 211 G C . 16044 1 530 . 1 1 211 211 GLY CA C 13 45.635 0.2 . 1 . . . . 211 G CA . 16044 1 531 . 1 1 211 211 GLY N N 15 109.264 0.4 . 1 . . . . 211 G N . 16044 1 532 . 1 1 212 212 GLY H H 1 8.260 0.05 . 1 . . . . 212 G HN . 16044 1 533 . 1 1 212 212 GLY HA2 H 1 3.890 0.05 . 1 . . . . 212 G HA# . 16044 1 534 . 1 1 212 212 GLY HA3 H 1 3.890 0.05 . 1 . . . . 212 G HA# . 16044 1 535 . 1 1 212 212 GLY C C 13 174.134 0.2 . 1 . . . . 212 G C . 16044 1 536 . 1 1 212 212 GLY CA C 13 45.214 0.2 . 1 . . . . 212 G CA . 16044 1 537 . 1 1 212 212 GLY N N 15 108.530 0.4 . 1 . . . . 212 G N . 16044 1 538 . 1 1 213 213 SER H H 1 8.195 0.05 . 1 . . . . 213 S HN . 16044 1 539 . 1 1 213 213 SER C C 13 174.634 0.2 . 1 . . . . 213 S C . 16044 1 540 . 1 1 213 213 SER CA C 13 58.243 0.2 . 1 . . . . 213 S CA . 16044 1 541 . 1 1 213 213 SER CB C 13 63.965 0.2 . 1 . . . . 213 S CB . 16044 1 542 . 1 1 213 213 SER N N 15 115.564 0.4 . 1 . . . . 213 S N . 16044 1 543 . 1 1 214 214 VAL H H 1 8.105 0.05 . 1 . . . . 214 V HN . 16044 1 544 . 1 1 214 214 VAL HA H 1 4.039 0.05 . 1 . . . . 214 V HA . 16044 1 545 . 1 1 214 214 VAL C C 13 175.867 0.2 . 1 . . . . 214 V C . 16044 1 546 . 1 1 214 214 VAL CA C 13 62.420 0.2 . 1 . . . . 214 V CA . 16044 1 547 . 1 1 214 214 VAL CB C 13 32.577 0.2 . 1 . . . . 214 V CB . 16044 1 548 . 1 1 214 214 VAL N N 15 121.392 0.4 . 1 . . . . 214 V N . 16044 1 549 . 1 1 215 215 PHE H H 1 8.257 0.05 . 1 . . . . 215 F HN . 16044 1 550 . 1 1 215 215 PHE HA H 1 4.581 0.05 . 1 . . . . 215 F HA . 16044 1 551 . 1 1 215 215 PHE C C 13 176.124 0.2 . 1 . . . . 215 F C . 16044 1 552 . 1 1 215 215 PHE CA C 13 57.890 0.2 . 1 . . . . 215 F CA . 16044 1 553 . 1 1 215 215 PHE CB C 13 39.606 0.2 . 1 . . . . 215 F CB . 16044 1 554 . 1 1 215 215 PHE N N 15 123.239 0.4 . 1 . . . . 215 F N . 16044 1 555 . 1 1 216 216 GLY H H 1 8.173 0.05 . 1 . . . . 216 G HN . 16044 1 556 . 1 1 216 216 GLY HA2 H 1 3.813 0.05 . 1 . . . . 216 G HA# . 16044 1 557 . 1 1 216 216 GLY HA3 H 1 3.813 0.05 . 1 . . . . 216 G HA# . 16044 1 558 . 1 1 216 216 GLY C C 13 173.260 0.2 . 1 . . . . 216 G C . 16044 1 559 . 1 1 216 216 GLY CA C 13 45.078 0.2 . 1 . . . . 216 G CA . 16044 1 560 . 1 1 216 216 GLY N N 15 110.271 0.4 . 1 . . . . 216 G N . 16044 1 561 . 1 1 217 217 HIS H H 1 8.101 0.05 . 1 . . . . 217 H HN . 16044 1 562 . 1 1 217 217 HIS HA H 1 4.309 0.05 . 1 . . . . 217 H HA . 16044 1 563 . 1 1 217 217 HIS C C 13 173.518 0.2 . 1 . . . . 217 H C . 16044 1 564 . 1 1 217 217 HIS CA C 13 51.089 0.2 . 1 . . . . 217 H CA . 16044 1 565 . 1 1 217 217 HIS CB C 13 38.779 0.2 . 1 . . . . 217 H CB . 16044 1 566 . 1 1 217 217 HIS N N 15 120.359 0.4 . 1 . . . . 217 H N . 16044 1 567 . 1 1 218 218 PRO C C 13 177.418 0.2 . 1 . . . . 218 P C . 16044 1 568 . 1 1 218 218 PRO CA C 13 63.517 0.2 . 1 . . . . 218 P CA . 16044 1 569 . 1 1 218 218 PRO CB C 13 32.145 0.2 . 1 . . . . 218 P CB . 16044 1 570 . 1 1 218 218 PRO N N 15 136.208 0.4 . 1 . . . . 218 P N . 16044 1 571 . 1 1 219 219 THR H H 1 8.433 0.05 . 1 . . . . 219 T HN . 16044 1 572 . 1 1 219 219 THR HA H 1 4.772 0.05 . 1 . . . . 219 T HA . 16044 1 573 . 1 1 219 219 THR HB H 1 4.382 0.05 . 1 . . . . 219 T HB . 16044 1 574 . 1 1 219 219 THR C C 13 175.362 0.2 . 1 . . . . 219 T C . 16044 1 575 . 1 1 219 219 THR CA C 13 61.970 0.2 . 1 . . . . 219 T CA . 16044 1 576 . 1 1 219 219 THR CB C 13 69.909 0.2 . 1 . . . . 219 T CB . 16044 1 577 . 1 1 219 219 THR N N 15 114.050 0.4 . 1 . . . . 219 T N . 16044 1 578 . 1 1 220 220 GLY H H 1 8.451 0.05 . 1 . . . . 220 G HN . 16044 1 579 . 1 1 220 220 GLY HA2 H 1 3.991 0.05 . 1 . . . . 220 G HA# . 16044 1 580 . 1 1 220 220 GLY HA3 H 1 3.991 0.05 . 1 . . . . 220 G HA# . 16044 1 581 . 1 1 220 220 GLY C C 13 174.659 0.2 . 1 . . . . 220 G C . 16044 1 582 . 1 1 220 220 GLY CA C 13 45.390 0.2 . 1 . . . . 220 G CA . 16044 1 583 . 1 1 220 220 GLY N N 15 111.111 0.4 . 1 . . . . 220 G N . 16044 1 584 . 1 1 221 221 GLY H H 1 8.308 0.05 . 1 . . . . 221 G HN . 16044 1 585 . 1 1 221 221 GLY HA2 H 1 3.965 0.05 . 1 . . . . 221 G HA# . 16044 1 586 . 1 1 221 221 GLY HA3 H 1 3.965 0.05 . 1 . . . . 221 G HA# . 16044 1 587 . 1 1 221 221 GLY C C 13 174.360 0.2 . 1 . . . . 221 G C . 16044 1 588 . 1 1 221 221 GLY CA C 13 45.251 0.2 . 1 . . . . 221 G CA . 16044 1 589 . 1 1 221 221 GLY N N 15 108.856 0.4 . 1 . . . . 221 G N . 16044 1 590 . 1 1 222 222 THR H H 1 8.133 0.05 . 1 . . . . 222 T HN . 16044 1 591 . 1 1 222 222 THR HA H 1 4.775 0.05 . 1 . . . . 222 T HA . 16044 1 592 . 1 1 222 222 THR HB H 1 4.418 0.05 . 1 . . . . 222 T HB . 16044 1 593 . 1 1 222 222 THR C C 13 174.671 0.2 . 1 . . . . 222 T C . 16044 1 594 . 1 1 222 222 THR CA C 13 61.727 0.2 . 1 . . . . 222 T CA . 16044 1 595 . 1 1 222 222 THR CB C 13 69.862 0.2 . 1 . . . . 222 T CB . 16044 1 596 . 1 1 222 222 THR N N 15 113.320 0.4 . 1 . . . . 222 T N . 16044 1 597 . 1 1 223 223 SER H H 1 8.397 0.05 . 1 . . . . 223 S HN . 16044 1 598 . 1 1 223 223 SER C C 13 174.398 0.2 . 1 . . . . 223 S C . 16044 1 599 . 1 1 223 223 SER CA C 13 58.309 0.2 . 1 . . . . 223 S CA . 16044 1 600 . 1 1 223 223 SER CB C 13 63.844 0.2 . 1 . . . . 223 S CB . 16044 1 601 . 1 1 223 223 SER N N 15 118.330 0.4 . 1 . . . . 223 S N . 16044 1 602 . 1 1 224 224 THR H H 1 8.123 0.05 . 1 . . . . 224 T HN . 16044 1 603 . 1 1 224 224 THR HA H 1 4.599 0.05 . 1 . . . . 224 T HA . 16044 1 604 . 1 1 224 224 THR C C 13 172.723 0.2 . 1 . . . . 224 T C . 16044 1 605 . 1 1 224 224 THR CA C 13 59.878 0.2 . 1 . . . . 224 T CA . 16044 1 606 . 1 1 224 224 THR CB C 13 69.831 0.2 . 1 . . . . 224 T CB . 16044 1 607 . 1 1 224 224 THR N N 15 118.141 0.4 . 1 . . . . 224 T N . 16044 1 608 . 1 1 225 225 PRO C C 13 176.415 0.2 . 1 . . . . 225 P C . 16044 1 609 . 1 1 225 225 PRO CA C 13 63.134 0.2 . 1 . . . . 225 P CA . 16044 1 610 . 1 1 225 225 PRO CB C 13 32.158 0.2 . 1 . . . . 225 P CB . 16044 1 611 . 1 1 225 225 PRO N N 15 139.075 0.4 . 1 . . . . 225 P N . 16044 1 612 . 1 1 226 226 ALA H H 1 8.342 0.05 . 1 . . . . 226 A HN . 16044 1 613 . 1 1 226 226 ALA HA H 1 4.193 0.05 . 1 . . . . 226 A HA . 16044 1 614 . 1 1 226 226 ALA HB1 H 1 1.274 0.05 . 1 . . . . 226 A HB1 . 16044 1 615 . 1 1 226 226 ALA HB2 H 1 1.274 0.05 . 1 . . . . 226 A HB2 . 16044 1 616 . 1 1 226 226 ALA HB3 H 1 1.274 0.05 . 1 . . . . 226 A HB3 . 16044 1 617 . 1 1 226 226 ALA C C 13 177.187 0.2 . 1 . . . . 226 A C . 16044 1 618 . 1 1 226 226 ALA CA C 13 52.496 0.2 . 1 . . . . 226 A CA . 16044 1 619 . 1 1 226 226 ALA CB C 13 19.316 0.2 . 1 . . . . 226 A CB . 16044 1 620 . 1 1 226 226 ALA N N 15 124.150 0.4 . 1 . . . . 226 A N . 16044 1 621 . 1 1 227 227 HIS H H 1 8.137 0.05 . 1 . . . . 227 H HN . 16044 1 622 . 1 1 227 227 HIS CA C 13 53.670 0.2 . 1 . . . . 227 H CA . 16044 1 623 . 1 1 227 227 HIS CB C 13 29.956 0.2 . 1 . . . . 227 H CB . 16044 1 624 . 1 1 227 227 HIS N N 15 118.714 0.4 . 1 . . . . 227 H N . 16044 1 625 . 1 1 228 228 PRO C C 13 174.188 0.2 . 1 . . . . 228 P C . 16044 1 626 . 1 1 228 228 PRO CA C 13 61.506 0.2 . 1 . . . . 228 P CA . 16044 1 627 . 1 1 228 228 PRO CB C 13 30.726 0.2 . 1 . . . . 228 P CB . 16044 1 628 . 1 1 229 229 PRO C C 13 174.786 0.2 . 1 . . . . 229 P C . 16044 1 629 . 1 1 229 229 PRO CA C 13 61.309 0.2 . 1 . . . . 229 P CA . 16044 1 630 . 1 1 229 229 PRO CB C 13 30.760 0.2 . 1 . . . . 229 P CB . 16044 1 631 . 1 1 229 229 PRO N N 15 136.494 0.4 . 1 . . . . 229 P N . 16044 1 632 . 1 1 230 230 PRO C C 13 176.565 0.2 . 1 . . . . 230 P C . 16044 1 633 . 1 1 230 230 PRO CA C 13 63.026 0.2 . 1 . . . . 230 P CA . 16044 1 634 . 1 1 230 230 PRO CB C 13 31.850 0.2 . 1 . . . . 230 P CB . 16044 1 635 . 1 1 230 230 PRO N N 15 134.461 0.4 . 1 . . . . 230 P N . 16044 1 636 . 1 1 231 231 TYR H H 1 8.036 0.05 . 1 . . . . 231 Y HN . 16044 1 637 . 1 1 231 231 TYR HA H 1 4.466 0.05 . 1 . . . . 231 Y HA . 16044 1 638 . 1 1 231 231 TYR C C 13 175.564 0.2 . 1 . . . . 231 Y C . 16044 1 639 . 1 1 231 231 TYR CA C 13 57.847 0.2 . 1 . . . . 231 Y CA . 16044 1 640 . 1 1 231 231 TYR CB C 13 38.664 0.2 . 1 . . . . 231 Y CB . 16044 1 641 . 1 1 231 231 TYR N N 15 119.805 0.4 . 1 . . . . 231 Y N . 16044 1 642 . 1 1 232 232 HIS H H 1 8.050 0.05 . 1 . . . . 232 H HN . 16044 1 643 . 1 1 232 232 HIS C C 13 174.819 0.2 . 1 . . . . 232 H C . 16044 1 644 . 1 1 232 232 HIS CA C 13 55.906 0.2 . 1 . . . . 232 H CA . 16044 1 645 . 1 1 232 232 HIS CB C 13 30.835 0.2 . 1 . . . . 232 H CB . 16044 1 646 . 1 1 232 232 HIS N N 15 121.619 0.4 . 1 . . . . 232 H N . 16044 1 647 . 1 1 233 233 SER H H 1 8.191 0.05 . 1 . . . . 233 S HN . 16044 1 648 . 1 1 233 233 SER HA H 1 4.719 0.05 . 1 . . . . 233 S HA . 16044 1 649 . 1 1 233 233 SER C C 13 174.593 0.2 . 1 . . . . 233 S C . 16044 1 650 . 1 1 233 233 SER CA C 13 58.386 0.2 . 1 . . . . 233 S CA . 16044 1 651 . 1 1 233 233 SER CB C 13 63.814 0.2 . 1 . . . . 233 S CB . 16044 1 652 . 1 1 233 233 SER N N 15 117.479 0.4 . 1 . . . . 233 S N . 16044 1 653 . 1 1 234 234 GLN H H 1 8.517 0.05 . 1 . . . . 234 Q HN . 16044 1 654 . 1 1 234 234 GLN C C 13 176.467 0.2 . 1 . . . . 234 Q C . 16044 1 655 . 1 1 234 234 GLN CA C 13 56.060 0.2 . 1 . . . . 234 Q CA . 16044 1 656 . 1 1 234 234 GLN CB C 13 29.452 0.2 . 1 . . . . 234 Q CB . 16044 1 657 . 1 1 234 234 GLN N N 15 122.331 0.4 . 1 . . . . 234 Q N . 16044 1 658 . 1 1 235 235 GLY H H 1 8.436 0.05 . 1 . . . . 235 G HN . 16044 1 659 . 1 1 235 235 GLY HA2 H 1 3.958 0.05 . 1 . . . . 235 G HA# . 16044 1 660 . 1 1 235 235 GLY HA3 H 1 3.958 0.05 . 1 . . . . 235 G HA# . 16044 1 661 . 1 1 235 235 GLY C C 13 174.630 0.2 . 1 . . . . 235 G C . 16044 1 662 . 1 1 235 235 GLY CA C 13 45.374 0.2 . 1 . . . . 235 G CA . 16044 1 663 . 1 1 235 235 GLY N N 15 109.951 0.4 . 1 . . . . 235 G N . 16044 1 664 . 1 1 236 236 GLY H H 1 8.315 0.05 . 1 . . . . 236 G HN . 16044 1 665 . 1 1 236 236 GLY HA2 H 1 3.976 0.05 . 1 . . . . 236 G HA# . 16044 1 666 . 1 1 236 236 GLY HA3 H 1 3.976 0.05 . 1 . . . . 236 G HA# . 16044 1 667 . 1 1 236 236 GLY C C 13 174.543 0.2 . 1 . . . . 236 G C . 16044 1 668 . 1 1 236 236 GLY CA C 13 45.295 0.2 . 1 . . . . 236 G CA . 16044 1 669 . 1 1 236 236 GLY N N 15 108.956 0.4 . 1 . . . . 236 G N . 16044 1 670 . 1 1 237 237 SER H H 1 8.317 0.05 . 1 . . . . 237 S HN . 16044 1 671 . 1 1 237 237 SER C C 13 174.965 0.2 . 1 . . . . 237 S C . 16044 1 672 . 1 1 237 237 SER CA C 13 58.682 0.2 . 1 . . . . 237 S CA . 16044 1 673 . 1 1 237 237 SER CB C 13 63.818 0.2 . 1 . . . . 237 S CB . 16044 1 674 . 1 1 237 237 SER N N 15 115.769 0.4 . 1 . . . . 237 S N . 16044 1 675 . 1 1 238 238 GLU H H 1 8.647 0.05 . 1 . . . . 238 E HN . 16044 1 676 . 1 1 238 238 GLU HA H 1 4.291 0.05 . 1 . . . . 238 E HA . 16044 1 677 . 1 1 238 238 GLU C C 13 176.723 0.2 . 1 . . . . 238 E C . 16044 1 678 . 1 1 238 238 GLU CA C 13 57.008 0.2 . 1 . . . . 238 E CA . 16044 1 679 . 1 1 238 238 GLU CB C 13 29.997 0.2 . 1 . . . . 238 E CB . 16044 1 680 . 1 1 238 238 GLU N N 15 122.651 0.4 . 1 . . . . 238 E N . 16044 1 681 . 1 1 239 239 SER H H 1 8.266 0.05 . 1 . . . . 239 S HN . 16044 1 682 . 1 1 239 239 SER HA H 1 4.420 0.05 . 1 . . . . 239 S HA . 16044 1 683 . 1 1 239 239 SER HB2 H 1 3.848 0.05 . 1 . . . . 239 S HB# . 16044 1 684 . 1 1 239 239 SER HB3 H 1 3.848 0.05 . 1 . . . . 239 S HB# . 16044 1 685 . 1 1 239 239 SER C C 13 174.761 0.2 . 1 . . . . 239 S C . 16044 1 686 . 1 1 239 239 SER CA C 13 58.478 0.2 . 1 . . . . 239 S CA . 16044 1 687 . 1 1 239 239 SER CB C 13 63.794 0.2 . 1 . . . . 239 S CB . 16044 1 688 . 1 1 239 239 SER N N 15 116.171 0.4 . 1 . . . . 239 S N . 16044 1 689 . 1 1 240 240 MET H H 1 8.354 0.05 . 1 . . . . 240 M HN . 16044 1 690 . 1 1 240 240 MET HA H 1 4.289 0.05 . 1 . . . . 240 M HA . 16044 1 691 . 1 1 240 240 MET C C 13 176.793 0.2 . 1 . . . . 240 M C . 16044 1 692 . 1 1 240 240 MET CA C 13 55.675 0.2 . 1 . . . . 240 M CA . 16044 1 693 . 1 1 240 240 MET CB C 13 32.723 0.2 . 1 . . . . 240 M CB . 16044 1 694 . 1 1 240 240 MET N N 15 122.202 0.4 . 1 . . . . 240 M N . 16044 1 695 . 1 1 241 241 GLY H H 1 8.393 0.05 . 1 . . . . 241 G HN . 16044 1 696 . 1 1 241 241 GLY HA2 H 1 3.948 0.05 . 1 . . . . 241 G HA# . 16044 1 697 . 1 1 241 241 GLY HA3 H 1 3.948 0.05 . 1 . . . . 241 G HA# . 16044 1 698 . 1 1 241 241 GLY C C 13 174.624 0.2 . 1 . . . . 241 G C . 16044 1 699 . 1 1 241 241 GLY CA C 13 45.428 0.2 . 1 . . . . 241 G CA . 16044 1 700 . 1 1 241 241 GLY N N 15 109.739 0.4 . 1 . . . . 241 G N . 16044 1 701 . 1 1 242 242 GLY H H 1 8.267 0.05 . 1 . . . . 242 G HN . 16044 1 702 . 1 1 242 242 GLY HA2 H 1 3.980 0.05 . 1 . . . . 242 G HA# . 16044 1 703 . 1 1 242 242 GLY HA3 H 1 3.980 0.05 . 1 . . . . 242 G HA# . 16044 1 704 . 1 1 242 242 GLY C C 13 174.423 0.2 . 1 . . . . 242 G C . 16044 1 705 . 1 1 242 242 GLY CA C 13 45.272 0.2 . 1 . . . . 242 G CA . 16044 1 706 . 1 1 242 242 GLY N N 15 108.765 0.4 . 1 . . . . 242 G N . 16044 1 707 . 1 1 243 243 SER H H 1 8.299 0.05 . 1 . . . . 243 S HN . 16044 1 708 . 1 1 243 243 SER HA H 1 4.340 0.05 . 1 . . . . 243 S HA . 16044 1 709 . 1 1 243 243 SER C C 13 174.440 0.2 . 1 . . . . 243 S C . 16044 1 710 . 1 1 243 243 SER CA C 13 58.498 0.2 . 1 . . . . 243 S CA . 16044 1 711 . 1 1 243 243 SER CB C 13 63.943 0.2 . 1 . . . . 243 S CB . 16044 1 712 . 1 1 243 243 SER N N 15 115.597 0.4 . 1 . . . . 243 S N . 16044 1 713 . 1 1 244 244 ASP H H 1 8.457 0.05 . 1 . . . . 244 D HN . 16044 1 714 . 1 1 244 244 ASP HA H 1 4.623 0.05 . 1 . . . . 244 D HA . 16044 1 715 . 1 1 244 244 ASP C C 13 176.655 0.2 . 1 . . . . 244 D C . 16044 1 716 . 1 1 244 244 ASP CA C 13 54.441 0.2 . 1 . . . . 244 D CA . 16044 1 717 . 1 1 244 244 ASP CB C 13 41.222 0.2 . 1 . . . . 244 D CB . 16044 1 718 . 1 1 244 244 ASP N N 15 122.146 0.4 . 1 . . . . 244 D N . 16044 1 719 . 1 1 245 245 SER H H 1 8.306 0.05 . 1 . . . . 245 S HN . 16044 1 720 . 1 1 245 245 SER HA H 1 4.438 0.05 . 1 . . . . 245 S HA . 16044 1 721 . 1 1 245 245 SER C C 13 174.983 0.2 . 1 . . . . 245 S C . 16044 1 722 . 1 1 245 245 SER CA C 13 58.578 0.2 . 1 . . . . 245 S CA . 16044 1 723 . 1 1 245 245 SER CB C 13 63.725 0.2 . 1 . . . . 245 S CB . 16044 1 724 . 1 1 245 245 SER N N 15 116.468 0.4 . 1 . . . . 245 S N . 16044 1 725 . 1 1 246 246 SER H H 1 8.373 0.05 . 1 . . . . 246 S HN . 16044 1 726 . 1 1 246 246 SER HA H 1 4.386 0.05 . 1 . . . . 246 S HA . 16044 1 727 . 1 1 246 246 SER C C 13 175.059 0.2 . 1 . . . . 246 S C . 16044 1 728 . 1 1 246 246 SER CA C 13 59.129 0.2 . 1 . . . . 246 S CA . 16044 1 729 . 1 1 246 246 SER CB C 13 63.781 0.2 . 1 . . . . 246 S CB . 16044 1 730 . 1 1 246 246 SER N N 15 117.911 0.4 . 1 . . . . 246 S N . 16044 1 731 . 1 1 247 247 GLY H H 1 8.305 0.05 . 1 . . . . 247 G HN . 16044 1 732 . 1 1 247 247 GLY HA2 H 1 3.860 0.05 . 1 . . . . 247 G HA# . 16044 1 733 . 1 1 247 247 GLY HA3 H 1 3.860 0.05 . 1 . . . . 247 G HA# . 16044 1 734 . 1 1 247 247 GLY C C 13 173.857 0.2 . 1 . . . . 247 G C . 16044 1 735 . 1 1 247 247 GLY CA C 13 45.336 0.2 . 1 . . . . 247 G CA . 16044 1 736 . 1 1 247 247 GLY N N 15 110.258 0.4 . 1 . . . . 247 G N . 16044 1 737 . 1 1 248 248 PHE H H 1 8.021 0.05 . 1 . . . . 248 F HN . 16044 1 738 . 1 1 248 248 PHE HA H 1 4.568 0.05 . 1 . . . . 248 F HA . 16044 1 739 . 1 1 248 248 PHE C C 13 175.591 0.2 . 1 . . . . 248 F C . 16044 1 740 . 1 1 248 248 PHE CA C 13 57.667 0.2 . 1 . . . . 248 F CA . 16044 1 741 . 1 1 248 248 PHE CB C 13 39.661 0.2 . 1 . . . . 248 F CB . 16044 1 742 . 1 1 248 248 PHE N N 15 119.970 0.4 . 1 . . . . 248 F N . 16044 1 743 . 1 1 249 249 ALA H H 1 8.262 0.05 . 1 . . . . 249 A HN . 16044 1 744 . 1 1 249 249 ALA HA H 1 4.266 0.05 . 1 . . . . 249 A HA . 16044 1 745 . 1 1 249 249 ALA HB1 H 1 1.319 0.05 . 1 . . . . 249 A HB1 . 16044 1 746 . 1 1 249 249 ALA HB2 H 1 1.319 0.05 . 1 . . . . 249 A HB2 . 16044 1 747 . 1 1 249 249 ALA HB3 H 1 1.319 0.05 . 1 . . . . 249 A HB3 . 16044 1 748 . 1 1 249 249 ALA C C 13 177.493 0.2 . 1 . . . . 249 A C . 16044 1 749 . 1 1 249 249 ALA CA C 13 52.423 0.2 . 1 . . . . 249 A CA . 16044 1 750 . 1 1 249 249 ALA CB C 13 19.347 0.2 . 1 . . . . 249 A CB . 16044 1 751 . 1 1 249 249 ALA N N 15 125.593 0.4 . 1 . . . . 249 A N . 16044 1 752 . 1 1 250 250 GLU H H 1 8.369 0.05 . 1 . . . . 250 E HN . 16044 1 753 . 1 1 250 250 GLU HA H 1 4.188 0.05 . 1 . . . . 250 E HA . 16044 1 754 . 1 1 250 250 GLU C C 13 177.111 0.2 . 1 . . . . 250 E C . 16044 1 755 . 1 1 250 250 GLU CA C 13 57.091 0.2 . 1 . . . . 250 E CA . 16044 1 756 . 1 1 250 250 GLU CB C 13 30.101 0.2 . 1 . . . . 250 E CB . 16044 1 757 . 1 1 250 250 GLU N N 15 120.554 0.4 . 1 . . . . 250 E N . 16044 1 758 . 1 1 251 251 GLY H H 1 8.412 0.05 . 1 . . . . 251 G HN . 16044 1 759 . 1 1 251 251 GLY HA2 H 1 3.959 0.05 . 1 . . . . 251 G HA# . 16044 1 760 . 1 1 251 251 GLY HA3 H 1 3.959 0.05 . 1 . . . . 251 G HA# . 16044 1 761 . 1 1 251 251 GLY C C 13 174.277 0.2 . 1 . . . . 251 G C . 16044 1 762 . 1 1 251 251 GLY CA C 13 45.431 0.2 . 1 . . . . 251 G CA . 16044 1 763 . 1 1 251 251 GLY N N 15 109.956 0.4 . 1 . . . . 251 G N . 16044 1 764 . 1 1 252 252 SER H H 1 8.073 0.05 . 1 . . . . 252 S HN . 16044 1 765 . 1 1 252 252 SER HA H 1 4.373 0.05 . 1 . . . . 252 S HA . 16044 1 766 . 1 1 252 252 SER C C 13 174.103 0.2 . 1 . . . . 252 S C . 16044 1 767 . 1 1 252 252 SER CA C 13 58.521 0.2 . 1 . . . . 252 S CA . 16044 1 768 . 1 1 252 252 SER CB C 13 63.858 0.2 . 1 . . . . 252 S CB . 16044 1 769 . 1 1 252 252 SER N N 15 115.428 0.4 . 1 . . . . 252 S N . 16044 1 770 . 1 1 253 253 PHE H H 1 8.194 0.05 . 1 . . . . 253 F HN . 16044 1 771 . 1 1 253 253 PHE HA H 1 4.561 0.05 . 1 . . . . 253 F HA . 16044 1 772 . 1 1 253 253 PHE C C 13 175.509 0.2 . 1 . . . . 253 F C . 16044 1 773 . 1 1 253 253 PHE CA C 13 57.844 0.2 . 1 . . . . 253 F CA . 16044 1 774 . 1 1 253 253 PHE CB C 13 39.553 0.2 . 1 . . . . 253 F CB . 16044 1 775 . 1 1 253 253 PHE N N 15 121.666 0.4 . 1 . . . . 253 F N . 16044 1 776 . 1 1 254 254 ARG H H 1 8.151 0.05 . 1 . . . . 254 R HN . 16044 1 777 . 1 1 254 254 ARG HA H 1 4.302 0.05 . 1 . . . . 254 R HA . 16044 1 778 . 1 1 254 254 ARG C C 13 176.160 0.2 . 1 . . . . 254 R C . 16044 1 779 . 1 1 254 254 ARG CA C 13 55.775 0.2 . 1 . . . . 254 R CA . 16044 1 780 . 1 1 254 254 ARG CB C 13 31.115 0.2 . 1 . . . . 254 R CB . 16044 1 781 . 1 1 254 254 ARG N N 15 122.757 0.4 . 1 . . . . 254 R N . 16044 1 782 . 1 1 255 255 SER H H 1 8.409 0.05 . 1 . . . . 255 S HN . 16044 1 783 . 1 1 255 255 SER C C 13 176.112 0.2 . 1 . . . . 255 S C . 16044 1 784 . 1 1 255 255 SER CA C 13 58.499 0.2 . 1 . . . . 255 S CA . 16044 1 785 . 1 1 255 255 SER CB C 13 63.710 0.2 . 1 . . . . 255 S CB . 16044 1 786 . 1 1 255 255 SER N N 15 117.362 0.4 . 1 . . . . 255 S N . 16044 1 787 . 1 1 256 256 ASP H H 1 8.342 0.05 . 1 . . . . 256 D HN . 16044 1 788 . 1 1 256 256 ASP HA H 1 4.583 0.05 . 1 . . . . 256 D HA . 16044 1 789 . 1 1 256 256 ASP C C 13 176.961 0.2 . 1 . . . . 256 D C . 16044 1 790 . 1 1 256 256 ASP CA C 13 54.201 0.2 . 1 . . . . 256 D CA . 16044 1 791 . 1 1 256 256 ASP CB C 13 41.086 0.2 . 1 . . . . 256 D CB . 16044 1 792 . 1 1 256 256 ASP N N 15 121.974 0.4 . 1 . . . . 256 D N . 16044 1 793 . 1 1 257 257 GLY H H 1 8.358 0.05 . 1 . . . . 257 G HN . 16044 1 794 . 1 1 257 257 GLY HA2 H 1 3.955 0.05 . 1 . . . . 257 G HA# . 16044 1 795 . 1 1 257 257 GLY HA3 H 1 3.955 0.05 . 1 . . . . 257 G HA# . 16044 1 796 . 1 1 257 257 GLY C C 13 174.562 0.2 . 1 . . . . 257 G C . 16044 1 797 . 1 1 257 257 GLY CA C 13 45.497 0.2 . 1 . . . . 257 G CA . 16044 1 798 . 1 1 257 257 GLY N N 15 109.229 0.4 . 1 . . . . 257 G N . 16044 1 799 . 1 1 258 258 SER H H 1 8.220 0.05 . 1 . . . . 258 S HN . 16044 1 800 . 1 1 258 258 SER HA H 1 4.317 0.05 . 1 . . . . 258 S HA . 16044 1 801 . 1 1 258 258 SER C C 13 174.045 0.2 . 1 . . . . 258 S C . 16044 1 802 . 1 1 258 258 SER CA C 13 58.319 0.2 . 1 . . . . 258 S CA . 16044 1 803 . 1 1 258 258 SER CB C 13 63.846 0.2 . 1 . . . . 258 S CB . 16044 1 804 . 1 1 258 258 SER N N 15 115.693 0.4 . 1 . . . . 258 S N . 16044 1 805 . 1 1 259 259 HIS H H 1 8.084 0.05 . 1 . . . . 259 H HN . 16044 1 806 . 1 1 259 259 HIS HA H 1 4.033 0.05 . 1 . . . . 259 H HA . 16044 1 807 . 1 1 259 259 HIS CA C 13 62.390 0.2 . 1 . . . . 259 H CA . 16044 1 808 . 1 1 259 259 HIS CB C 13 32.573 0.2 . 1 . . . . 259 H CB . 16044 1 809 . 1 1 259 259 HIS N N 15 121.327 0.4 . 1 . . . . 259 H N . 16044 1 stop_ save_