data_16598 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16598 _Entry.Title ; 1H, 13C and 15N backbone resonance assignments of cTEM-17m, a TEM-1/PSE-4 class A beta-lactamases chimera ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-06 _Entry.Accession_date 2009-11-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Sebastien Morin . . . 16598 2 Christopher Clouthier . . . 16598 3 Sophie Gobeil . . . 16598 4 Stephane Gagne . M. . 16598 5 Joelle Pelletier . N. . 16598 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universite Laval' . 16598 2 . 'Universite de Montreal' . 16598 3 . PROTEO . 16598 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16598 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 680 16598 '15N chemical shifts' 228 16598 '1H chemical shifts' 228 16598 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-05 2009-11-06 update BMRB 'Update entry citation' 16598 1 . . 2010-05-05 2009-11-06 original author 'original release' 16598 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6024 'TEM-1 E28G (chemical shifts)' 16598 BMRB 6357 'TEM-1 WT (chemical shifts)' 16598 BMRB 6838 'PSE-4 (chemical shifts + dynamics)' 16598 BMRB 7236 'TEM-1 Y105W (chemical shifts)' 16598 BMRB 7237 'TEM-1 Y105G (chemical shifts)' 16598 BMRB 7238 'TEM-1 Y105N (chemical shifts)' 16598 BMRB 7239 'TEM-1 Y105D (chemical shifts)' 16598 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16598 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20383614 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments of an artificially engineered TEM-1/PSE-4 Class A -lactamase chimera.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _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 127 _Citation.Page_last 130 _Citation.Year 2010 _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 Sebastien Morin . . . 16598 1 2 Christopher Clouthier . M. . 16598 1 3 Sophie Gobeil . . . 16598 1 4 Joelle Pelletier . N. . 16598 1 5 Stephane Gagne . M. . 16598 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID beta-lactamase 16598 1 chimera 16598 1 cTEM-17m 16598 1 PSE-4 16598 1 TEM-1 16598 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16598 _Assembly.ID 1 _Assembly.Name cTEM-17m _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 28838.9 _Assembly.Enzyme_commission_number 3.5.2.6 _Assembly.Details 'A chimera between the two class A beta-lactamases TEM-1 and PSE-4.' _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 cTEM-17m 1 $cTEM-17m A . yes native no no . . . 16598 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 52 52 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . 16598 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 52 52 HG . 77 CYS HG 16598 1 . . 1 1 CYS 98 98 HG . 123 CYS HG 16598 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BTL . . X-ray 1.9 'Structure of one of the class A beta-lactamases that make this chimera: TEM-1.' 'There are many other structures for TEM-1.' 16598 1 yes PDB 1G68 . . X-ray 1.95 'Structure of one of the class A beta-lactamases that make this chimera: PSE-4.' 'There is another crystal structure for PSE-4: 1G6A, for the mutant R234K.' 16598 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Hydrolysis of the beta-lactam ring in beta-lactam antibiotics.' 16598 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cTEM-17m _Entity.Sf_category entity _Entity.Sf_framecode cTEM-17m _Entity.Entry_ID 16598 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cTEM-17m _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 ; HPETLVKVKDAEDQLGARVG YIELDLNSGKILESFRPEER FPMMSTFKVLLCGAVLSRVD AGQEQLGRRIHYSQNDLVEY SPVTEKHLTDGMTVRELCSA AITMSDNTAANLLLTTIGGP KELTDFLRQIGDKETRLDRI EPDLNEGKLGDLRDTTTPKA IASTLRKLLTGELLTLASRQ QLIDWMEADKVAGPLLRSAL PAGWFIADKSGAGERGSRGI IAALGPDGKPSRIVVIYTTG SQATMDERNRQIAEIGASLI KHW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 26, H 27, P 28, E ... 235, S 236, G 237, A 238, G #GAP 240, E 241, R 242, G ... 249, A 250, L 251, G 252, P #GAP 254, D 255, G 256, K ... 288, K 289, H 290, W ; _Entity.Polymer_author_seq_details 'This is the Ambler numbering scheme used for class A beta-lactamases.' _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 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.5.2.6 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28838.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 PDB 4ID4 . "Crystal Structure Of Chimeric Beta-lactamase Ctem-17m" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 16598 1 2 no PDB 4QY5 . "Crystal Structures Of Chimeric Beta-lactamase Ctem-19m Showing Different Conformations" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 16598 1 3 no PDB 4QY6 . "Crystal Structures Of Chimeric Beta-lactamase Ctem-19m Showing Different Conformations" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 16598 1 4 no PDB 4R4R . "Crystal Structure Of Chimeric Beta-lactamase Ctem-19m At 1.2 Angstrom Resolution" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 16598 1 5 no PDB 4R4S . "Crystal Structure Of Chimeric Beta-lactamase Ctem-19m At 1.1 Angstrom Resolution" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 16598 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Hydrolysis of the beta-lactam ring of beta-lactama antibiotics.' 16598 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 . HIS . 16598 1 2 . PRO . 16598 1 3 . GLU . 16598 1 4 . THR . 16598 1 5 . LEU . 16598 1 6 . VAL . 16598 1 7 . LYS . 16598 1 8 . VAL . 16598 1 9 . LYS . 16598 1 10 . ASP . 16598 1 11 . ALA . 16598 1 12 . GLU . 16598 1 13 . ASP . 16598 1 14 . GLN . 16598 1 15 . LEU . 16598 1 16 . GLY . 16598 1 17 . ALA . 16598 1 18 . ARG . 16598 1 19 . VAL . 16598 1 20 . GLY . 16598 1 21 . TYR . 16598 1 22 . ILE . 16598 1 23 . GLU . 16598 1 24 . LEU . 16598 1 25 . ASP . 16598 1 26 . LEU . 16598 1 27 . ASN . 16598 1 28 . SER . 16598 1 29 . GLY . 16598 1 30 . LYS . 16598 1 31 . ILE . 16598 1 32 . LEU . 16598 1 33 . GLU . 16598 1 34 . SER . 16598 1 35 . PHE . 16598 1 36 . ARG . 16598 1 37 . PRO . 16598 1 38 . GLU . 16598 1 39 . GLU . 16598 1 40 . ARG . 16598 1 41 . PHE . 16598 1 42 . PRO . 16598 1 43 . MET . 16598 1 44 . MET . 16598 1 45 . SER . 16598 1 46 . THR . 16598 1 47 . PHE . 16598 1 48 . LYS . 16598 1 49 . VAL . 16598 1 50 . LEU . 16598 1 51 . LEU . 16598 1 52 . CYS . 16598 1 53 . GLY . 16598 1 54 . ALA . 16598 1 55 . VAL . 16598 1 56 . LEU . 16598 1 57 . SER . 16598 1 58 . ARG . 16598 1 59 . VAL . 16598 1 60 . ASP . 16598 1 61 . ALA . 16598 1 62 . GLY . 16598 1 63 . GLN . 16598 1 64 . GLU . 16598 1 65 . GLN . 16598 1 66 . LEU . 16598 1 67 . GLY . 16598 1 68 . ARG . 16598 1 69 . ARG . 16598 1 70 . ILE . 16598 1 71 . HIS . 16598 1 72 . TYR . 16598 1 73 . SER . 16598 1 74 . GLN . 16598 1 75 . ASN . 16598 1 76 . ASP . 16598 1 77 . LEU . 16598 1 78 . VAL . 16598 1 79 . GLU . 16598 1 80 . TYR . 16598 1 81 . SER . 16598 1 82 . PRO . 16598 1 83 . VAL . 16598 1 84 . THR . 16598 1 85 . GLU . 16598 1 86 . LYS . 16598 1 87 . HIS . 16598 1 88 . LEU . 16598 1 89 . THR . 16598 1 90 . ASP . 16598 1 91 . GLY . 16598 1 92 . MET . 16598 1 93 . THR . 16598 1 94 . VAL . 16598 1 95 . ARG . 16598 1 96 . GLU . 16598 1 97 . LEU . 16598 1 98 . CYS . 16598 1 99 . SER . 16598 1 100 . ALA . 16598 1 101 . ALA . 16598 1 102 . ILE . 16598 1 103 . THR . 16598 1 104 . MET . 16598 1 105 . SER . 16598 1 106 . ASP . 16598 1 107 . ASN . 16598 1 108 . THR . 16598 1 109 . ALA . 16598 1 110 . ALA . 16598 1 111 . ASN . 16598 1 112 . LEU . 16598 1 113 . LEU . 16598 1 114 . LEU . 16598 1 115 . THR . 16598 1 116 . THR . 16598 1 117 . ILE . 16598 1 118 . GLY . 16598 1 119 . GLY . 16598 1 120 . PRO . 16598 1 121 . LYS . 16598 1 122 . GLU . 16598 1 123 . LEU . 16598 1 124 . THR . 16598 1 125 . ASP . 16598 1 126 . PHE . 16598 1 127 . LEU . 16598 1 128 . ARG . 16598 1 129 . GLN . 16598 1 130 . ILE . 16598 1 131 . GLY . 16598 1 132 . ASP . 16598 1 133 . LYS . 16598 1 134 . GLU . 16598 1 135 . THR . 16598 1 136 . ARG . 16598 1 137 . LEU . 16598 1 138 . ASP . 16598 1 139 . ARG . 16598 1 140 . ILE . 16598 1 141 . GLU . 16598 1 142 . PRO . 16598 1 143 . ASP . 16598 1 144 . LEU . 16598 1 145 . ASN . 16598 1 146 . GLU . 16598 1 147 . GLY . 16598 1 148 . LYS . 16598 1 149 . LEU . 16598 1 150 . GLY . 16598 1 151 . ASP . 16598 1 152 . LEU . 16598 1 153 . ARG . 16598 1 154 . ASP . 16598 1 155 . THR . 16598 1 156 . THR . 16598 1 157 . THR . 16598 1 158 . PRO . 16598 1 159 . LYS . 16598 1 160 . ALA . 16598 1 161 . ILE . 16598 1 162 . ALA . 16598 1 163 . SER . 16598 1 164 . THR . 16598 1 165 . LEU . 16598 1 166 . ARG . 16598 1 167 . LYS . 16598 1 168 . LEU . 16598 1 169 . LEU . 16598 1 170 . THR . 16598 1 171 . GLY . 16598 1 172 . GLU . 16598 1 173 . LEU . 16598 1 174 . LEU . 16598 1 175 . THR . 16598 1 176 . LEU . 16598 1 177 . ALA . 16598 1 178 . SER . 16598 1 179 . ARG . 16598 1 180 . GLN . 16598 1 181 . GLN . 16598 1 182 . LEU . 16598 1 183 . ILE . 16598 1 184 . ASP . 16598 1 185 . TRP . 16598 1 186 . MET . 16598 1 187 . GLU . 16598 1 188 . ALA . 16598 1 189 . ASP . 16598 1 190 . LYS . 16598 1 191 . VAL . 16598 1 192 . ALA . 16598 1 193 . GLY . 16598 1 194 . PRO . 16598 1 195 . LEU . 16598 1 196 . LEU . 16598 1 197 . ARG . 16598 1 198 . SER . 16598 1 199 . ALA . 16598 1 200 . LEU . 16598 1 201 . PRO . 16598 1 202 . ALA . 16598 1 203 . GLY . 16598 1 204 . TRP . 16598 1 205 . PHE . 16598 1 206 . ILE . 16598 1 207 . ALA . 16598 1 208 . ASP . 16598 1 209 . LYS . 16598 1 210 . SER . 16598 1 211 . GLY . 16598 1 212 . ALA . 16598 1 213 . GLY . 16598 1 214 . GLU . 16598 1 215 . ARG . 16598 1 216 . GLY . 16598 1 217 . SER . 16598 1 218 . ARG . 16598 1 219 . GLY . 16598 1 220 . ILE . 16598 1 221 . ILE . 16598 1 222 . ALA . 16598 1 223 . ALA . 16598 1 224 . LEU . 16598 1 225 . GLY . 16598 1 226 . PRO . 16598 1 227 . ASP . 16598 1 228 . GLY . 16598 1 229 . LYS . 16598 1 230 . PRO . 16598 1 231 . SER . 16598 1 232 . ARG . 16598 1 233 . ILE . 16598 1 234 . VAL . 16598 1 235 . VAL . 16598 1 236 . ILE . 16598 1 237 . TYR . 16598 1 238 . THR . 16598 1 239 . THR . 16598 1 240 . GLY . 16598 1 241 . SER . 16598 1 242 . GLN . 16598 1 243 . ALA . 16598 1 244 . THR . 16598 1 245 . MET . 16598 1 246 . ASP . 16598 1 247 . GLU . 16598 1 248 . ARG . 16598 1 249 . ASN . 16598 1 250 . ARG . 16598 1 251 . GLN . 16598 1 252 . ILE . 16598 1 253 . ALA . 16598 1 254 . GLU . 16598 1 255 . ILE . 16598 1 256 . GLY . 16598 1 257 . ALA . 16598 1 258 . SER . 16598 1 259 . LEU . 16598 1 260 . ILE . 16598 1 261 . LYS . 16598 1 262 . HIS . 16598 1 263 . TRP . 16598 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 . HIS 1 1 16598 1 . PRO 2 2 16598 1 . GLU 3 3 16598 1 . THR 4 4 16598 1 . LEU 5 5 16598 1 . VAL 6 6 16598 1 . LYS 7 7 16598 1 . VAL 8 8 16598 1 . LYS 9 9 16598 1 . ASP 10 10 16598 1 . ALA 11 11 16598 1 . GLU 12 12 16598 1 . ASP 13 13 16598 1 . GLN 14 14 16598 1 . LEU 15 15 16598 1 . GLY 16 16 16598 1 . ALA 17 17 16598 1 . ARG 18 18 16598 1 . VAL 19 19 16598 1 . GLY 20 20 16598 1 . TYR 21 21 16598 1 . ILE 22 22 16598 1 . GLU 23 23 16598 1 . LEU 24 24 16598 1 . ASP 25 25 16598 1 . LEU 26 26 16598 1 . ASN 27 27 16598 1 . SER 28 28 16598 1 . GLY 29 29 16598 1 . LYS 30 30 16598 1 . ILE 31 31 16598 1 . LEU 32 32 16598 1 . GLU 33 33 16598 1 . SER 34 34 16598 1 . PHE 35 35 16598 1 . ARG 36 36 16598 1 . PRO 37 37 16598 1 . GLU 38 38 16598 1 . GLU 39 39 16598 1 . ARG 40 40 16598 1 . PHE 41 41 16598 1 . PRO 42 42 16598 1 . MET 43 43 16598 1 . MET 44 44 16598 1 . SER 45 45 16598 1 . THR 46 46 16598 1 . PHE 47 47 16598 1 . LYS 48 48 16598 1 . VAL 49 49 16598 1 . LEU 50 50 16598 1 . LEU 51 51 16598 1 . CYS 52 52 16598 1 . GLY 53 53 16598 1 . ALA 54 54 16598 1 . VAL 55 55 16598 1 . LEU 56 56 16598 1 . SER 57 57 16598 1 . ARG 58 58 16598 1 . VAL 59 59 16598 1 . ASP 60 60 16598 1 . ALA 61 61 16598 1 . GLY 62 62 16598 1 . GLN 63 63 16598 1 . GLU 64 64 16598 1 . GLN 65 65 16598 1 . LEU 66 66 16598 1 . GLY 67 67 16598 1 . ARG 68 68 16598 1 . ARG 69 69 16598 1 . ILE 70 70 16598 1 . HIS 71 71 16598 1 . TYR 72 72 16598 1 . SER 73 73 16598 1 . GLN 74 74 16598 1 . ASN 75 75 16598 1 . ASP 76 76 16598 1 . LEU 77 77 16598 1 . VAL 78 78 16598 1 . GLU 79 79 16598 1 . TYR 80 80 16598 1 . SER 81 81 16598 1 . PRO 82 82 16598 1 . VAL 83 83 16598 1 . THR 84 84 16598 1 . GLU 85 85 16598 1 . LYS 86 86 16598 1 . HIS 87 87 16598 1 . LEU 88 88 16598 1 . THR 89 89 16598 1 . ASP 90 90 16598 1 . GLY 91 91 16598 1 . MET 92 92 16598 1 . THR 93 93 16598 1 . VAL 94 94 16598 1 . ARG 95 95 16598 1 . GLU 96 96 16598 1 . LEU 97 97 16598 1 . CYS 98 98 16598 1 . SER 99 99 16598 1 . ALA 100 100 16598 1 . ALA 101 101 16598 1 . ILE 102 102 16598 1 . THR 103 103 16598 1 . MET 104 104 16598 1 . SER 105 105 16598 1 . ASP 106 106 16598 1 . ASN 107 107 16598 1 . THR 108 108 16598 1 . ALA 109 109 16598 1 . ALA 110 110 16598 1 . ASN 111 111 16598 1 . LEU 112 112 16598 1 . LEU 113 113 16598 1 . LEU 114 114 16598 1 . THR 115 115 16598 1 . THR 116 116 16598 1 . ILE 117 117 16598 1 . GLY 118 118 16598 1 . GLY 119 119 16598 1 . PRO 120 120 16598 1 . LYS 121 121 16598 1 . GLU 122 122 16598 1 . LEU 123 123 16598 1 . THR 124 124 16598 1 . ASP 125 125 16598 1 . PHE 126 126 16598 1 . LEU 127 127 16598 1 . ARG 128 128 16598 1 . GLN 129 129 16598 1 . ILE 130 130 16598 1 . GLY 131 131 16598 1 . ASP 132 132 16598 1 . LYS 133 133 16598 1 . GLU 134 134 16598 1 . THR 135 135 16598 1 . ARG 136 136 16598 1 . LEU 137 137 16598 1 . ASP 138 138 16598 1 . ARG 139 139 16598 1 . ILE 140 140 16598 1 . GLU 141 141 16598 1 . PRO 142 142 16598 1 . ASP 143 143 16598 1 . LEU 144 144 16598 1 . ASN 145 145 16598 1 . GLU 146 146 16598 1 . GLY 147 147 16598 1 . LYS 148 148 16598 1 . LEU 149 149 16598 1 . GLY 150 150 16598 1 . ASP 151 151 16598 1 . LEU 152 152 16598 1 . ARG 153 153 16598 1 . ASP 154 154 16598 1 . THR 155 155 16598 1 . THR 156 156 16598 1 . THR 157 157 16598 1 . PRO 158 158 16598 1 . LYS 159 159 16598 1 . ALA 160 160 16598 1 . ILE 161 161 16598 1 . ALA 162 162 16598 1 . SER 163 163 16598 1 . THR 164 164 16598 1 . LEU 165 165 16598 1 . ARG 166 166 16598 1 . LYS 167 167 16598 1 . LEU 168 168 16598 1 . LEU 169 169 16598 1 . THR 170 170 16598 1 . GLY 171 171 16598 1 . GLU 172 172 16598 1 . LEU 173 173 16598 1 . LEU 174 174 16598 1 . THR 175 175 16598 1 . LEU 176 176 16598 1 . ALA 177 177 16598 1 . SER 178 178 16598 1 . ARG 179 179 16598 1 . GLN 180 180 16598 1 . GLN 181 181 16598 1 . LEU 182 182 16598 1 . ILE 183 183 16598 1 . ASP 184 184 16598 1 . TRP 185 185 16598 1 . MET 186 186 16598 1 . GLU 187 187 16598 1 . ALA 188 188 16598 1 . ASP 189 189 16598 1 . LYS 190 190 16598 1 . VAL 191 191 16598 1 . ALA 192 192 16598 1 . GLY 193 193 16598 1 . PRO 194 194 16598 1 . LEU 195 195 16598 1 . LEU 196 196 16598 1 . ARG 197 197 16598 1 . SER 198 198 16598 1 . ALA 199 199 16598 1 . LEU 200 200 16598 1 . PRO 201 201 16598 1 . ALA 202 202 16598 1 . GLY 203 203 16598 1 . TRP 204 204 16598 1 . PHE 205 205 16598 1 . ILE 206 206 16598 1 . ALA 207 207 16598 1 . ASP 208 208 16598 1 . LYS 209 209 16598 1 . SER 210 210 16598 1 . GLY 211 211 16598 1 . ALA 212 212 16598 1 . GLY 213 213 16598 1 . GLU 214 214 16598 1 . ARG 215 215 16598 1 . GLY 216 216 16598 1 . SER 217 217 16598 1 . ARG 218 218 16598 1 . GLY 219 219 16598 1 . ILE 220 220 16598 1 . ILE 221 221 16598 1 . ALA 222 222 16598 1 . ALA 223 223 16598 1 . LEU 224 224 16598 1 . GLY 225 225 16598 1 . PRO 226 226 16598 1 . ASP 227 227 16598 1 . GLY 228 228 16598 1 . LYS 229 229 16598 1 . PRO 230 230 16598 1 . SER 231 231 16598 1 . ARG 232 232 16598 1 . ILE 233 233 16598 1 . VAL 234 234 16598 1 . VAL 235 235 16598 1 . ILE 236 236 16598 1 . TYR 237 237 16598 1 . THR 238 238 16598 1 . THR 239 239 16598 1 . GLY 240 240 16598 1 . SER 241 241 16598 1 . GLN 242 242 16598 1 . ALA 243 243 16598 1 . THR 244 244 16598 1 . MET 245 245 16598 1 . ASP 246 246 16598 1 . GLU 247 247 16598 1 . ARG 248 248 16598 1 . ASN 249 249 16598 1 . ARG 250 250 16598 1 . GLN 251 251 16598 1 . ILE 252 252 16598 1 . ALA 253 253 16598 1 . GLU 254 254 16598 1 . ILE 255 255 16598 1 . GLY 256 256 16598 1 . ALA 257 257 16598 1 . SER 258 258 16598 1 . LEU 259 259 16598 1 . ILE 260 260 16598 1 . LYS 261 261 16598 1 . HIS 262 262 16598 1 . TRP 263 263 16598 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 16598 _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 $cTEM-17m . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . 'This protein is a chimera made of two class A beta-lactamases: TEM-1 and PSE-4.' . . 16598 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 16598 _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 $cTEM-17m . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET24 . . . . . . 16598 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16598 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-labeled cTEM-17m' _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 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 16598 1 2 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 16598 1 3 imidazole 'natural abundance' . . . . . . 0.3 . . mM 0.02 . . . 16598 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % 0.005 . . . 16598 1 5 cTEM-17m '[U-98% 15N]' . . 1 $cTEM-17m . . 0.4 . . mM 0.05 . . . 16598 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16598 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-13C-labeled cTEM-17m' _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 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 16598 2 2 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 16598 2 3 imidazole 'natural abundance' . . . . . . 0.3 . . mM 0.02 . . . 16598 2 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % 0.005 . . . 16598 2 5 cTEM-17m '[U-98% 13C; U-98% 15N]' . . 1 $cTEM-17m . . 0.4 . . mM 0.05 . . . 16598 2 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 16598 _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 0.002 M 16598 1 pH 6.7 0.1 pH 16598 1 pressure 1 . atm 16598 1 temperature 304.65 0.2 K 16598 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16598 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details ; NMRPipe provides comprehensive facilities for Fourier processing of spectra, as well as a variety of facilities for spectral display and analysis. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16598 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16598 1 stop_ save_ save_SMARTNOTEBOOK _Software.Sf_category software _Software.Sf_framecode SMARTNOTEBOOK _Software.Entry_ID 16598 _Software.ID 2 _Software.Name Smartnotebook _Software.Version 5.1.3 _Software.Details 'Smartnotebook is a program to help sequential spectral assignment within NMRVIEW.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PENCE (The Canadian Protein Engineering Network' . http://www.pence.ca/pence/en/ 16598 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16598 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16598 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details 'NMRView is a program for the visualization and analysis of NMR datasets.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16598 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16598 3 'data analysis' 16598 3 'peak picking' 16598 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16598 _Software.ID 4 _Software.Name VNMRJ _Software.Version 2.1_B _Software.Details 'VnmrJ is the program used to run the Varian INOVA 600 MHz spectrometer.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16598 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16598 4 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 16598 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cold probe.' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16598 _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 . 600 'Equipped with cold probe.' . . 16598 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 16598 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16598 1 2 3D-TROSY-HNCO no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16598 1 3 3D-TROSY-HNCA no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16598 1 4 3D-TROSY-HN(CO)CA no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16598 1 5 3D-TROSY-HNCACB no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16598 1 6 3D-TROSY-CBCA(CO)NH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16598 1 7 3D-TROSY-(HN)CO(CO)NH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16598 1 stop_ save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 16598 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'HSQC gradient sensitivity enhanced version for N15 from Varian Biopack.' save_ save_3D-TROSY-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-TROSY-HNCO _NMR_spec_expt.Entry_ID 16598 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D-TROSY-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '3D HNCO gradient sensitivity enhanced version from Varian Biopack. Correlates CO(i) with N(i+1), NH(i+1). Uses constant time evolution for the 15N shifts. Recorded in TROSY mode.' save_ save_3D-TROSY-HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-TROSY-HNCA _NMR_spec_expt.Entry_ID 16598 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D-TROSY-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '3D HNCA gradient sensitivity enhanced version from Varian Biopack. Correlates Ca(i) with N(i), NH(i), and N(i+1), NH(i+1). Uses constant time evolution for the 15N shifts. Recorded in TROSY mode.' save_ save_3D-TROSY-HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-TROSY-HN(CO)CA _NMR_spec_expt.Entry_ID 16598 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D-TROSY-HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; 3D HNCOCA gradient sensitivity enhanced version from Varian Biopack. Correlates Ca(i) with N(i+1), NH(i+1). Uses constant time evolution for the 15N shifts. Recorded in TROSY mode. ; save_ save_3D-TROSY-HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-TROSY-HNCACB _NMR_spec_expt.Entry_ID 16598 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D-TROSY-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '3D HNCACB gradient sensitivity enhanced version from Varian Biopack. Correlates Ca(i) and Cb(i) with N(i), NH(i), and N(i+1), NH(i+1). Uses constant time evolution for the 15N shifts. Recorded in TROSY mode.' save_ save_3D-TROSY-CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-TROSY-CBCA(CO)NH _NMR_spec_expt.Entry_ID 16598 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D-TROSY-CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '3D CBCA(CO)NH gradient sensitivity enhanced version from Varian Biopack. Correlates Cb(i),Ca(i) with N(i+1), NH(i+1). Uses constant time evolution for the CaCb shifts and for the 15N shifts. Recorded in TROSY mode.' save_ save_3D-TROSY-(HN)CO(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-TROSY-(HN)CO(CO)NH _NMR_spec_expt.Entry_ID 16598 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D-TROSY-(HN)CO(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '3D (HN)CO(CO)NH gradient sensitivity enhanced version from Varian Biopack. Recorded in TROSY monde.' 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 16598 _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 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 16598 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 16598 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 16598 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 16598 _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 0.2 _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' . . . 16598 1 2 3D-TROSY-HNCO . . . 16598 1 3 3D-TROSY-HNCA . . . 16598 1 4 3D-TROSY-HN(CO)CA . . . 16598 1 5 3D-TROSY-HNCACB . . . 16598 1 6 3D-TROSY-CBCA(CO)NH . . . 16598 1 7 3D-TROSY-(HN)CO(CO)NH . . . 16598 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SMARTNOTEBOOK . . 16598 1 3 $NMRView . . 16598 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 2 2 PRO C C 13 179.290 0.2 . 1 . . . . 2 P C . 16598 1 2 . 1 1 2 2 PRO CA C 13 65.568 0.2 . 1 . . . . 2 P CA . 16598 1 3 . 1 1 2 2 PRO CB C 13 32.340 0.2 . 1 . . . . 2 P CB . 16598 1 4 . 1 1 3 3 GLU H H 1 11.040 0.05 . 1 . . . . 3 E HN . 16598 1 5 . 1 1 3 3 GLU C C 13 179.520 0.2 . 1 . . . . 3 E C . 16598 1 6 . 1 1 3 3 GLU CA C 13 59.690 0.2 . 1 . . . . 3 E CA . 16598 1 7 . 1 1 3 3 GLU CB C 13 28.676 0.2 . 1 . . . . 3 E CB . 16598 1 8 . 1 1 3 3 GLU N N 15 121.750 0.2 . 1 . . . . 3 E N . 16598 1 9 . 1 1 4 4 THR H H 1 7.750 0.05 . 1 . . . . 4 T HN . 16598 1 10 . 1 1 4 4 THR C C 13 176.070 0.2 . 1 . . . . 4 T C . 16598 1 11 . 1 1 4 4 THR CA C 13 65.090 0.2 . 1 . . . . 4 T CA . 16598 1 12 . 1 1 4 4 THR CB C 13 67.760 0.2 . 1 . . . . 4 T CB . 16598 1 13 . 1 1 4 4 THR N N 15 118.850 0.2 . 1 . . . . 4 T N . 16598 1 14 . 1 1 5 5 LEU H H 1 7.060 0.05 . 1 . . . . 5 L HN . 16598 1 15 . 1 1 5 5 LEU C C 13 178.960 0.2 . 1 . . . . 5 L C . 16598 1 16 . 1 1 5 5 LEU CA C 13 57.500 0.2 . 1 . . . . 5 L CA . 16598 1 17 . 1 1 5 5 LEU CB C 13 40.950 0.2 . 1 . . . . 5 L CB . 16598 1 18 . 1 1 5 5 LEU N N 15 119.790 0.2 . 1 . . . . 5 L N . 16598 1 19 . 1 1 6 6 VAL H H 1 7.500 0.05 . 1 . . . . 6 V HN . 16598 1 20 . 1 1 6 6 VAL C C 13 178.330 0.2 . 1 . . . . 6 V C . 16598 1 21 . 1 1 6 6 VAL CA C 13 66.890 0.2 . 1 . . . . 6 V CA . 16598 1 22 . 1 1 6 6 VAL CB C 13 31.330 0.2 . 1 . . . . 6 V CB . 16598 1 23 . 1 1 6 6 VAL N N 15 119.720 0.2 . 1 . . . . 6 V N . 16598 1 24 . 1 1 7 7 LYS H H 1 7.250 0.05 . 1 . . . . 7 K HN . 16598 1 25 . 1 1 7 7 LYS C C 13 178.450 0.2 . 1 . . . . 7 K C . 16598 1 26 . 1 1 7 7 LYS CA C 13 57.170 0.2 . 1 . . . . 7 K CA . 16598 1 27 . 1 1 7 7 LYS CB C 13 30.380 0.2 . 1 . . . . 7 K CB . 16598 1 28 . 1 1 7 7 LYS N N 15 119.230 0.2 . 1 . . . . 7 K N . 16598 1 29 . 1 1 8 8 VAL H H 1 8.280 0.05 . 1 . . . . 8 V HN . 16598 1 30 . 1 1 8 8 VAL C C 13 176.710 0.2 . 1 . . . . 8 V C . 16598 1 31 . 1 1 8 8 VAL CA C 13 67.210 0.2 . 1 . . . . 8 V CA . 16598 1 32 . 1 1 8 8 VAL CB C 13 31.130 0.2 . 1 . . . . 8 V CB . 16598 1 33 . 1 1 8 8 VAL N N 15 122.700 0.2 . 1 . . . . 8 V N . 16598 1 34 . 1 1 9 9 LYS H H 1 7.690 0.05 . 1 . . . . 9 K HN . 16598 1 35 . 1 1 9 9 LYS C C 13 179.300 0.2 . 1 . . . . 9 K C . 16598 1 36 . 1 1 9 9 LYS CA C 13 59.870 0.2 . 1 . . . . 9 K CA . 16598 1 37 . 1 1 9 9 LYS CB C 13 31.880 0.2 . 1 . . . . 9 K CB . 16598 1 38 . 1 1 9 9 LYS N N 15 118.650 0.2 . 1 . . . . 9 K N . 16598 1 39 . 1 1 10 10 ASP H H 1 8.300 0.05 . 1 . . . . 10 D HN . 16598 1 40 . 1 1 10 10 ASP C C 13 178.150 0.2 . 1 . . . . 10 D C . 16598 1 41 . 1 1 10 10 ASP CA C 13 57.400 0.2 . 1 . . . . 10 D CA . 16598 1 42 . 1 1 10 10 ASP CB C 13 41.830 0.2 . 1 . . . . 10 D CB . 16598 1 43 . 1 1 10 10 ASP N N 15 120.320 0.2 . 1 . . . . 10 D N . 16598 1 44 . 1 1 11 11 ALA H H 1 8.450 0.05 . 1 . . . . 11 A HN . 16598 1 45 . 1 1 11 11 ALA C C 13 179.520 0.2 . 1 . . . . 11 A C . 16598 1 46 . 1 1 11 11 ALA CA C 13 55.440 0.2 . 1 . . . . 11 A CA . 16598 1 47 . 1 1 11 11 ALA CB C 13 18.370 0.2 . 1 . . . . 11 A CB . 16598 1 48 . 1 1 11 11 ALA N N 15 122.160 0.2 . 1 . . . . 11 A N . 16598 1 49 . 1 1 12 12 GLU H H 1 7.920 0.05 . 1 . . . . 12 E HN . 16598 1 50 . 1 1 12 12 GLU C C 13 180.380 0.2 . 1 . . . . 12 E C . 16598 1 51 . 1 1 12 12 GLU CA C 13 61.020 0.2 . 1 . . . . 12 E CA . 16598 1 52 . 1 1 12 12 GLU CB C 13 29.310 0.2 . 1 . . . . 12 E CB . 16598 1 53 . 1 1 12 12 GLU N N 15 117.670 0.2 . 1 . . . . 12 E N . 16598 1 54 . 1 1 13 13 ASP H H 1 7.920 0.05 . 1 . . . . 13 D HN . 16598 1 55 . 1 1 13 13 ASP C C 13 179.150 0.2 . 1 . . . . 13 D C . 16598 1 56 . 1 1 13 13 ASP CA C 13 57.230 0.2 . 1 . . . . 13 D CA . 16598 1 57 . 1 1 13 13 ASP CB C 13 40.920 0.2 . 1 . . . . 13 D CB . 16598 1 58 . 1 1 13 13 ASP N N 15 119.880 0.2 . 1 . . . . 13 D N . 16598 1 59 . 1 1 14 14 GLN H H 1 8.830 0.05 . 1 . . . . 14 Q HN . 16598 1 60 . 1 1 14 14 GLN C C 13 179.100 0.2 . 1 . . . . 14 Q C . 16598 1 61 . 1 1 14 14 GLN CA C 13 58.560 0.2 . 1 . . . . 14 Q CA . 16598 1 62 . 1 1 14 14 GLN CB C 13 28.570 0.2 . 1 . . . . 14 Q CB . 16598 1 63 . 1 1 14 14 GLN N N 15 118.470 0.2 . 1 . . . . 14 Q N . 16598 1 64 . 1 1 15 15 LEU H H 1 8.690 0.05 . 1 . . . . 15 L HN . 16598 1 65 . 1 1 15 15 LEU C C 13 178.920 0.2 . 1 . . . . 15 L C . 16598 1 66 . 1 1 15 15 LEU CA C 13 54.830 0.2 . 1 . . . . 15 L CA . 16598 1 67 . 1 1 15 15 LEU CB C 13 42.890 0.2 . 1 . . . . 15 L CB . 16598 1 68 . 1 1 15 15 LEU N N 15 114.390 0.2 . 1 . . . . 15 L N . 16598 1 69 . 1 1 16 16 GLY H H 1 8.070 0.05 . 1 . . . . 16 G HN . 16598 1 70 . 1 1 16 16 GLY C C 13 174.040 0.2 . 1 . . . . 16 G C . 16598 1 71 . 1 1 16 16 GLY CA C 13 47.340 0.2 . 1 . . . . 16 G CA . 16598 1 72 . 1 1 16 16 GLY N N 15 112.840 0.2 . 1 . . . . 16 G N . 16598 1 73 . 1 1 17 17 ALA H H 1 7.730 0.05 . 1 . . . . 17 A HN . 16598 1 74 . 1 1 17 17 ALA C C 13 174.910 0.2 . 1 . . . . 17 A C . 16598 1 75 . 1 1 17 17 ALA CA C 13 50.720 0.2 . 1 . . . . 17 A CA . 16598 1 76 . 1 1 17 17 ALA CB C 13 24.180 0.2 . 1 . . . . 17 A CB . 16598 1 77 . 1 1 17 17 ALA N N 15 119.680 0.2 . 1 . . . . 17 A N . 16598 1 78 . 1 1 18 18 ARG H H 1 7.630 0.05 . 1 . . . . 18 R HN . 16598 1 79 . 1 1 18 18 ARG C C 13 177.530 0.2 . 1 . . . . 18 R C . 16598 1 80 . 1 1 18 18 ARG CA C 13 55.750 0.2 . 1 . . . . 18 R CA . 16598 1 81 . 1 1 18 18 ARG CB C 13 33.290 0.2 . 1 . . . . 18 R CB . 16598 1 82 . 1 1 18 18 ARG N N 15 115.560 0.2 . 1 . . . . 18 R N . 16598 1 83 . 1 1 19 19 VAL H H 1 10.560 0.05 . 1 . . . . 19 V HN . 16598 1 84 . 1 1 19 19 VAL C C 13 172.740 0.2 . 1 . . . . 19 V C . 16598 1 85 . 1 1 19 19 VAL CA C 13 61.290 0.2 . 1 . . . . 19 V CA . 16598 1 86 . 1 1 19 19 VAL CB C 13 34.248 0.2 . 1 . . . . 19 V CB . 16598 1 87 . 1 1 19 19 VAL N N 15 128.190 0.2 . 1 . . . . 19 V N . 16598 1 88 . 1 1 20 20 GLY H H 1 8.800 0.05 . 1 . . . . 20 G HN . 16598 1 89 . 1 1 20 20 GLY C C 13 172.360 0.2 . 1 . . . . 20 G C . 16598 1 90 . 1 1 20 20 GLY CA C 13 44.090 0.2 . 1 . . . . 20 G CA . 16598 1 91 . 1 1 20 20 GLY N N 15 111.280 0.2 . 1 . . . . 20 G N . 16598 1 92 . 1 1 21 21 TYR H H 1 9.460 0.05 . 1 . . . . 21 Y HN . 16598 1 93 . 1 1 21 21 TYR C C 13 174.340 0.2 . 1 . . . . 21 Y C . 16598 1 94 . 1 1 21 21 TYR CA C 13 56.700 0.2 . 1 . . . . 21 Y CA . 16598 1 95 . 1 1 21 21 TYR CB C 13 45.220 0.2 . 1 . . . . 21 Y CB . 16598 1 96 . 1 1 21 21 TYR N N 15 124.000 0.2 . 1 . . . . 21 Y N . 16598 1 97 . 1 1 22 22 ILE H H 1 8.000 0.05 . 1 . . . . 22 I HN . 16598 1 98 . 1 1 22 22 ILE C C 13 170.483 0.2 . 1 . . . . 22 I C . 16598 1 99 . 1 1 22 22 ILE CA C 13 60.560 0.2 . 1 . . . . 22 I CA . 16598 1 100 . 1 1 22 22 ILE CB C 13 42.670 0.2 . 1 . . . . 22 I CB . 16598 1 101 . 1 1 22 22 ILE N N 15 125.800 0.2 . 1 . . . . 22 I N . 16598 1 102 . 1 1 23 23 GLU H H 1 7.740 0.05 . 1 . . . . 23 E HN . 16598 1 103 . 1 1 23 23 GLU C C 13 175.240 0.2 . 1 . . . . 23 E C . 16598 1 104 . 1 1 23 23 GLU CA C 13 54.160 0.2 . 1 . . . . 23 E CA . 16598 1 105 . 1 1 23 23 GLU CB C 13 34.617 0.2 . 1 . . . . 23 E CB . 16598 1 106 . 1 1 23 23 GLU N N 15 123.410 0.2 . 1 . . . . 23 E N . 16598 1 107 . 1 1 24 24 LEU H H 1 9.680 0.05 . 1 . . . . 24 L HN . 16598 1 108 . 1 1 24 24 LEU C C 13 176.020 0.2 . 1 . . . . 24 L C . 16598 1 109 . 1 1 24 24 LEU CA C 13 53.060 0.2 . 1 . . . . 24 L CA . 16598 1 110 . 1 1 24 24 LEU CB C 13 47.120 0.2 . 1 . . . . 24 L CB . 16598 1 111 . 1 1 24 24 LEU N N 15 125.690 0.2 . 1 . . . . 24 L N . 16598 1 112 . 1 1 25 25 ASP H H 1 9.030 0.05 . 1 . . . . 25 D HN . 16598 1 113 . 1 1 25 25 ASP C C 13 176.900 0.2 . 1 . . . . 25 D C . 16598 1 114 . 1 1 25 25 ASP CA C 13 55.540 0.2 . 1 . . . . 25 D CA . 16598 1 115 . 1 1 25 25 ASP CB C 13 43.250 0.2 . 1 . . . . 25 D CB . 16598 1 116 . 1 1 25 25 ASP N N 15 125.520 0.2 . 1 . . . . 25 D N . 16598 1 117 . 1 1 26 26 LEU H H 1 8.230 0.05 . 1 . . . . 26 L HN . 16598 1 118 . 1 1 26 26 LEU C C 13 177.370 0.2 . 1 . . . . 26 L C . 16598 1 119 . 1 1 26 26 LEU CA C 13 58.850 0.2 . 1 . . . . 26 L CA . 16598 1 120 . 1 1 26 26 LEU CB C 13 43.220 0.2 . 1 . . . . 26 L CB . 16598 1 121 . 1 1 26 26 LEU N N 15 129.210 0.2 . 1 . . . . 26 L N . 16598 1 122 . 1 1 27 27 ASN H H 1 8.630 0.05 . 1 . . . . 27 N HN . 16598 1 123 . 1 1 27 27 ASN C C 13 177.210 0.2 . 1 . . . . 27 N C . 16598 1 124 . 1 1 27 27 ASN CA C 13 56.380 0.2 . 1 . . . . 27 N CA . 16598 1 125 . 1 1 27 27 ASN CB C 13 38.830 0.2 . 1 . . . . 27 N CB . 16598 1 126 . 1 1 27 27 ASN N N 15 116.010 0.2 . 1 . . . . 27 N N . 16598 1 127 . 1 1 28 28 SER H H 1 8.600 0.05 . 1 . . . . 28 S HN . 16598 1 128 . 1 1 28 28 SER C C 13 176.530 0.2 . 1 . . . . 28 S C . 16598 1 129 . 1 1 28 28 SER CA C 13 59.190 0.2 . 1 . . . . 28 S CA . 16598 1 130 . 1 1 28 28 SER CB C 13 65.840 0.2 . 1 . . . . 28 S CB . 16598 1 131 . 1 1 28 28 SER N N 15 113.000 0.2 . 1 . . . . 28 S N . 16598 1 132 . 1 1 29 29 GLY H H 1 8.000 0.05 . 1 . . . . 29 G HN . 16598 1 133 . 1 1 29 29 GLY C C 13 172.410 0.2 . 1 . . . . 29 G C . 16598 1 134 . 1 1 29 29 GLY CA C 13 45.630 0.2 . 1 . . . . 29 G CA . 16598 1 135 . 1 1 29 29 GLY N N 15 112.450 0.2 . 1 . . . . 29 G N . 16598 1 136 . 1 1 30 30 LYS H H 1 7.720 0.05 . 1 . . . . 30 K HN . 16598 1 137 . 1 1 30 30 LYS C C 13 175.960 0.2 . 1 . . . . 30 K C . 16598 1 138 . 1 1 30 30 LYS CA C 13 56.880 0.2 . 1 . . . . 30 K CA . 16598 1 139 . 1 1 30 30 LYS CB C 13 33.710 0.2 . 1 . . . . 30 K CB . 16598 1 140 . 1 1 30 30 LYS N N 15 119.780 0.2 . 1 . . . . 30 K N . 16598 1 141 . 1 1 31 31 ILE H H 1 8.640 0.05 . 1 . . . . 31 I HN . 16598 1 142 . 1 1 31 31 ILE C C 13 176.160 0.2 . 1 . . . . 31 I C . 16598 1 143 . 1 1 31 31 ILE CA C 13 62.470 0.2 . 1 . . . . 31 I CA . 16598 1 144 . 1 1 31 31 ILE CB C 13 37.580 0.2 . 1 . . . . 31 I CB . 16598 1 145 . 1 1 31 31 ILE N N 15 124.900 0.2 . 1 . . . . 31 I N . 16598 1 146 . 1 1 32 32 LEU H H 1 8.890 0.05 . 1 . . . . 32 L HN . 16598 1 147 . 1 1 32 32 LEU C C 13 176.940 0.2 . 1 . . . . 32 L C . 16598 1 148 . 1 1 32 32 LEU CA C 13 55.840 0.2 . 1 . . . . 32 L CA . 16598 1 149 . 1 1 32 32 LEU CB C 13 42.230 0.2 . 1 . . . . 32 L CB . 16598 1 150 . 1 1 32 32 LEU N N 15 130.570 0.2 . 1 . . . . 32 L N . 16598 1 151 . 1 1 33 33 GLU H H 1 7.540 0.05 . 1 . . . . 33 E HN . 16598 1 152 . 1 1 33 33 GLU C C 13 174.450 0.2 . 1 . . . . 33 E C . 16598 1 153 . 1 1 33 33 GLU CA C 13 54.980 0.2 . 1 . . . . 33 E CA . 16598 1 154 . 1 1 33 33 GLU CB C 13 33.880 0.2 . 1 . . . . 33 E CB . 16598 1 155 . 1 1 33 33 GLU N N 15 116.130 0.2 . 1 . . . . 33 E N . 16598 1 156 . 1 1 34 34 SER H H 1 9.050 0.05 . 1 . . . . 34 S HN . 16598 1 157 . 1 1 34 34 SER C C 13 171.670 0.2 . 1 . . . . 34 S C . 16598 1 158 . 1 1 34 34 SER CA C 13 58.450 0.2 . 1 . . . . 34 S CA . 16598 1 159 . 1 1 34 34 SER CB C 13 66.960 0.2 . 1 . . . . 34 S CB . 16598 1 160 . 1 1 34 34 SER N N 15 115.660 0.2 . 1 . . . . 34 S N . 16598 1 161 . 1 1 35 35 PHE H H 1 9.560 0.05 . 1 . . . . 35 F HN . 16598 1 162 . 1 1 35 35 PHE C C 13 173.110 0.2 . 1 . . . . 35 F C . 16598 1 163 . 1 1 35 35 PHE CA C 13 59.930 0.2 . 1 . . . . 35 F CA . 16598 1 164 . 1 1 35 35 PHE CB C 13 43.750 0.2 . 1 . . . . 35 F CB . 16598 1 165 . 1 1 35 35 PHE N N 15 121.590 0.2 . 1 . . . . 35 F N . 16598 1 166 . 1 1 36 36 ARG H H 1 8.780 0.05 . 1 . . . . 36 R HN . 16598 1 167 . 1 1 36 36 ARG CA C 13 57.850 0.2 . 1 . . . . 36 R CA . 16598 1 168 . 1 1 36 36 ARG CB C 13 28.600 0.2 . 1 . . . . 36 R CB . 16598 1 169 . 1 1 36 36 ARG N N 15 121.790 0.2 . 1 . . . . 36 R N . 16598 1 170 . 1 1 37 37 PRO C C 13 176.610 0.2 . 1 . . . . 37 P C . 16598 1 171 . 1 1 37 37 PRO CA C 13 65.314 0.2 . 1 . . . . 37 P CA . 16598 1 172 . 1 1 37 37 PRO CB C 13 32.650 0.2 . 1 . . . . 37 P CB . 16598 1 173 . 1 1 38 38 GLU H H 1 8.420 0.05 . 1 . . . . 38 E HN . 16598 1 174 . 1 1 38 38 GLU C C 13 176.210 0.2 . 1 . . . . 38 E C . 16598 1 175 . 1 1 38 38 GLU CA C 13 54.810 0.2 . 1 . . . . 38 E CA . 16598 1 176 . 1 1 38 38 GLU CB C 13 29.740 0.2 . 1 . . . . 38 E CB . 16598 1 177 . 1 1 38 38 GLU N N 15 114.070 0.2 . 1 . . . . 38 E N . 16598 1 178 . 1 1 39 39 GLU H H 1 7.150 0.05 . 1 . . . . 39 E HN . 16598 1 179 . 1 1 39 39 GLU C C 13 174.190 0.2 . 1 . . . . 39 E C . 16598 1 180 . 1 1 39 39 GLU CA C 13 56.180 0.2 . 1 . . . . 39 E CA . 16598 1 181 . 1 1 39 39 GLU CB C 13 31.270 0.2 . 1 . . . . 39 E CB . 16598 1 182 . 1 1 39 39 GLU N N 15 120.440 0.2 . 1 . . . . 39 E N . 16598 1 183 . 1 1 40 40 ARG H H 1 7.920 0.05 . 1 . . . . 40 R HN . 16598 1 184 . 1 1 40 40 ARG C C 13 177.300 0.2 . 1 . . . . 40 R C . 16598 1 185 . 1 1 40 40 ARG CA C 13 55.080 0.2 . 1 . . . . 40 R CA . 16598 1 186 . 1 1 40 40 ARG CB C 13 31.970 0.2 . 1 . . . . 40 R CB . 16598 1 187 . 1 1 40 40 ARG N N 15 115.620 0.2 . 1 . . . . 40 R N . 16598 1 188 . 1 1 41 41 PHE H H 1 8.760 0.05 . 1 . . . . 41 F HN . 16598 1 189 . 1 1 41 41 PHE CA C 13 55.670 0.2 . 1 . . . . 41 F CA . 16598 1 190 . 1 1 41 41 PHE CB C 13 42.380 0.2 . 1 . . . . 41 F CB . 16598 1 191 . 1 1 41 41 PHE N N 15 118.360 0.2 . 1 . . . . 41 F N . 16598 1 192 . 1 1 42 42 PRO C C 13 174.475 0.2 . 1 . . . . 42 P C . 16598 1 193 . 1 1 43 43 MET H H 1 7.862 0.05 . 1 . . . . 43 M HN . 16598 1 194 . 1 1 43 43 MET C C 13 179.789 0.2 . 1 . . . . 43 M C . 16598 1 195 . 1 1 43 43 MET CA C 13 58.424 0.2 . 1 . . . . 43 M CA . 16598 1 196 . 1 1 43 43 MET N N 15 119.515 0.2 . 1 . . . . 43 M N . 16598 1 197 . 1 1 44 44 MET H H 1 10.488 0.05 . 1 . . . . 44 M HN . 16598 1 198 . 1 1 44 44 MET CA C 13 56.498 0.2 . 1 . . . . 44 M CA . 16598 1 199 . 1 1 44 44 MET N N 15 120.181 0.2 . 1 . . . . 44 M N . 16598 1 200 . 1 1 45 45 SER C C 13 176.090 0.2 . 1 . . . . 45 S C . 16598 1 201 . 1 1 45 45 SER CA C 13 57.812 0.2 . 1 . . . . 45 S CA . 16598 1 202 . 1 1 46 46 THR H H 1 7.900 0.05 . 1 . . . . 46 T HN . 16598 1 203 . 1 1 46 46 THR C C 13 175.270 0.2 . 1 . . . . 46 T C . 16598 1 204 . 1 1 46 46 THR CA C 13 66.060 0.2 . 1 . . . . 46 T CA . 16598 1 205 . 1 1 46 46 THR N N 15 112.010 0.2 . 1 . . . . 46 T N . 16598 1 206 . 1 1 47 47 PHE H H 1 7.680 0.05 . 1 . . . . 47 F HN . 16598 1 207 . 1 1 47 47 PHE C C 13 176.860 0.2 . 1 . . . . 47 F C . 16598 1 208 . 1 1 47 47 PHE CA C 13 59.400 0.2 . 1 . . . . 47 F CA . 16598 1 209 . 1 1 47 47 PHE CB C 13 39.650 0.2 . 1 . . . . 47 F CB . 16598 1 210 . 1 1 47 47 PHE N N 15 116.730 0.2 . 1 . . . . 47 F N . 16598 1 211 . 1 1 48 48 LYS H H 1 7.430 0.05 . 1 . . . . 48 K HN . 16598 1 212 . 1 1 48 48 LYS C C 13 177.480 0.2 . 1 . . . . 48 K C . 16598 1 213 . 1 1 48 48 LYS CA C 13 60.170 0.2 . 1 . . . . 48 K CA . 16598 1 214 . 1 1 48 48 LYS CB C 13 31.900 0.2 . 1 . . . . 48 K CB . 16598 1 215 . 1 1 48 48 LYS N N 15 122.390 0.2 . 1 . . . . 48 K N . 16598 1 216 . 1 1 49 49 VAL H H 1 6.660 0.05 . 1 . . . . 49 V HN . 16598 1 217 . 1 1 49 49 VAL C C 13 176.040 0.2 . 1 . . . . 49 V C . 16598 1 218 . 1 1 49 49 VAL CA C 13 66.200 0.2 . 1 . . . . 49 V CA . 16598 1 219 . 1 1 49 49 VAL CB C 13 32.650 0.2 . 1 . . . . 49 V CB . 16598 1 220 . 1 1 49 49 VAL N N 15 114.670 0.2 . 1 . . . . 49 V N . 16598 1 221 . 1 1 50 50 LEU H H 1 6.740 0.05 . 1 . . . . 50 L HN . 16598 1 222 . 1 1 50 50 LEU C C 13 178.060 0.2 . 1 . . . . 50 L C . 16598 1 223 . 1 1 50 50 LEU CA C 13 57.260 0.2 . 1 . . . . 50 L CA . 16598 1 224 . 1 1 50 50 LEU CB C 13 40.640 0.2 . 1 . . . . 50 L CB . 16598 1 225 . 1 1 50 50 LEU N N 15 117.750 0.2 . 1 . . . . 50 L N . 16598 1 226 . 1 1 51 51 LEU H H 1 7.990 0.05 . 1 . . . . 51 L HN . 16598 1 227 . 1 1 51 51 LEU C C 13 177.240 0.2 . 1 . . . . 51 L C . 16598 1 228 . 1 1 51 51 LEU CA C 13 57.540 0.2 . 1 . . . . 51 L CA . 16598 1 229 . 1 1 51 51 LEU CB C 13 42.440 0.2 . 1 . . . . 51 L CB . 16598 1 230 . 1 1 51 51 LEU N N 15 116.970 0.2 . 1 . . . . 51 L N . 16598 1 231 . 1 1 52 52 CYS H H 1 7.460 0.05 . 1 . . . . 52 C HN . 16598 1 232 . 1 1 52 52 CYS C C 13 175.620 0.2 . 1 . . . . 52 C C . 16598 1 233 . 1 1 52 52 CYS CA C 13 63.810 0.2 . 1 . . . . 52 C CA . 16598 1 234 . 1 1 52 52 CYS CB C 13 44.870 0.2 . 1 . . . . 52 C CB . 16598 1 235 . 1 1 52 52 CYS N N 15 113.680 0.2 . 1 . . . . 52 C N . 16598 1 236 . 1 1 53 53 GLY H H 1 8.380 0.05 . 1 . . . . 53 G HN . 16598 1 237 . 1 1 53 53 GLY C C 13 173.170 0.2 . 1 . . . . 53 G C . 16598 1 238 . 1 1 53 53 GLY CA C 13 47.960 0.2 . 1 . . . . 53 G CA . 16598 1 239 . 1 1 53 53 GLY N N 15 110.860 0.2 . 1 . . . . 53 G N . 16598 1 240 . 1 1 54 54 ALA H H 1 7.870 0.05 . 1 . . . . 54 A HN . 16598 1 241 . 1 1 54 54 ALA C C 13 180.700 0.2 . 1 . . . . 54 A C . 16598 1 242 . 1 1 54 54 ALA CA C 13 54.990 0.2 . 1 . . . . 54 A CA . 16598 1 243 . 1 1 54 54 ALA CB C 13 17.120 0.2 . 1 . . . . 54 A CB . 16598 1 244 . 1 1 54 54 ALA N N 15 124.380 0.2 . 1 . . . . 54 A N . 16598 1 245 . 1 1 55 55 VAL H H 1 7.960 0.05 . 1 . . . . 55 V HN . 16598 1 246 . 1 1 55 55 VAL C C 13 177.900 0.2 . 1 . . . . 55 V C . 16598 1 247 . 1 1 55 55 VAL CA C 13 66.930 0.2 . 1 . . . . 55 V CA . 16598 1 248 . 1 1 55 55 VAL CB C 13 32.200 0.2 . 1 . . . . 55 V CB . 16598 1 249 . 1 1 55 55 VAL N N 15 118.940 0.2 . 1 . . . . 55 V N . 16598 1 250 . 1 1 56 56 LEU H H 1 8.420 0.05 . 1 . . . . 56 L HN . 16598 1 251 . 1 1 56 56 LEU C C 13 178.070 0.2 . 1 . . . . 56 L C . 16598 1 252 . 1 1 56 56 LEU CA C 13 57.900 0.2 . 1 . . . . 56 L CA . 16598 1 253 . 1 1 56 56 LEU CB C 13 40.830 0.2 . 1 . . . . 56 L CB . 16598 1 254 . 1 1 56 56 LEU N N 15 119.120 0.2 . 1 . . . . 56 L N . 16598 1 255 . 1 1 57 57 SER H H 1 8.050 0.05 . 1 . . . . 57 S HN . 16598 1 256 . 1 1 57 57 SER C C 13 178.010 0.2 . 1 . . . . 57 S C . 16598 1 257 . 1 1 57 57 SER CA C 13 61.950 0.2 . 1 . . . . 57 S CA . 16598 1 258 . 1 1 57 57 SER CB C 13 62.370 0.2 . 1 . . . . 57 S CB . 16598 1 259 . 1 1 57 57 SER N N 15 115.560 0.2 . 1 . . . . 57 S N . 16598 1 260 . 1 1 58 58 ARG H H 1 7.510 0.05 . 1 . . . . 58 R HN . 16598 1 261 . 1 1 58 58 ARG C C 13 179.380 0.2 . 1 . . . . 58 R C . 16598 1 262 . 1 1 58 58 ARG CA C 13 59.340 0.2 . 1 . . . . 58 R CA . 16598 1 263 . 1 1 58 58 ARG CB C 13 30.320 0.2 . 1 . . . . 58 R CB . 16598 1 264 . 1 1 58 58 ARG N N 15 121.430 0.2 . 1 . . . . 58 R N . 16598 1 265 . 1 1 59 59 VAL H H 1 8.350 0.05 . 1 . . . . 59 V HN . 16598 1 266 . 1 1 59 59 VAL C C 13 180.810 0.2 . 1 . . . . 59 V C . 16598 1 267 . 1 1 59 59 VAL CA C 13 65.090 0.2 . 1 . . . . 59 V CA . 16598 1 268 . 1 1 59 59 VAL CB C 13 31.090 0.2 . 1 . . . . 59 V CB . 16598 1 269 . 1 1 59 59 VAL N N 15 124.230 0.2 . 1 . . . . 59 V N . 16598 1 270 . 1 1 60 60 ASP H H 1 9.010 0.05 . 1 . . . . 60 D HN . 16598 1 271 . 1 1 60 60 ASP C C 13 177.780 0.2 . 1 . . . . 60 D C . 16598 1 272 . 1 1 60 60 ASP CA C 13 57.290 0.2 . 1 . . . . 60 D CA . 16598 1 273 . 1 1 60 60 ASP CB C 13 40.800 0.2 . 1 . . . . 60 D CB . 16598 1 274 . 1 1 60 60 ASP N N 15 123.500 0.2 . 1 . . . . 60 D N . 16598 1 275 . 1 1 61 61 ALA H H 1 7.520 0.05 . 1 . . . . 61 A HN . 16598 1 276 . 1 1 61 61 ALA C C 13 177.920 0.2 . 1 . . . . 61 A C . 16598 1 277 . 1 1 61 61 ALA CA C 13 52.320 0.2 . 1 . . . . 61 A CA . 16598 1 278 . 1 1 61 61 ALA CB C 13 19.480 0.2 . 1 . . . . 61 A CB . 16598 1 279 . 1 1 61 61 ALA N N 15 118.750 0.2 . 1 . . . . 61 A N . 16598 1 280 . 1 1 62 62 GLY H H 1 8.190 0.05 . 1 . . . . 62 G HN . 16598 1 281 . 1 1 62 62 GLY C C 13 174.930 0.2 . 1 . . . . 62 G C . 16598 1 282 . 1 1 62 62 GLY CA C 13 45.760 0.2 . 1 . . . . 62 G CA . 16598 1 283 . 1 1 62 62 GLY N N 15 107.600 0.2 . 1 . . . . 62 G N . 16598 1 284 . 1 1 63 63 GLN H H 1 8.370 0.05 . 1 . . . . 63 Q HN . 16598 1 285 . 1 1 63 63 GLN C C 13 173.560 0.2 . 1 . . . . 63 Q C . 16598 1 286 . 1 1 63 63 GLN CA C 13 55.630 0.2 . 1 . . . . 63 Q CA . 16598 1 287 . 1 1 63 63 GLN CB C 13 30.100 0.2 . 1 . . . . 63 Q CB . 16598 1 288 . 1 1 63 63 GLN N N 15 117.340 0.2 . 1 . . . . 63 Q N . 16598 1 289 . 1 1 64 64 GLU H H 1 7.360 0.05 . 1 . . . . 64 E HN . 16598 1 290 . 1 1 64 64 GLU C C 13 172.700 0.2 . 1 . . . . 64 E C . 16598 1 291 . 1 1 64 64 GLU CA C 13 52.930 0.2 . 1 . . . . 64 E CA . 16598 1 292 . 1 1 64 64 GLU CB C 13 33.670 0.2 . 1 . . . . 64 E CB . 16598 1 293 . 1 1 64 64 GLU N N 15 118.050 0.2 . 1 . . . . 64 E N . 16598 1 294 . 1 1 65 65 GLN H H 1 10.130 0.05 . 1 . . . . 65 Q HN . 16598 1 295 . 1 1 65 65 GLN C C 13 176.030 0.2 . 1 . . . . 65 Q C . 16598 1 296 . 1 1 65 65 GLN CA C 13 54.850 0.2 . 1 . . . . 65 Q CA . 16598 1 297 . 1 1 65 65 GLN CB C 13 31.460 0.2 . 1 . . . . 65 Q CB . 16598 1 298 . 1 1 65 65 GLN N N 15 125.120 0.2 . 1 . . . . 65 Q N . 16598 1 299 . 1 1 66 66 LEU H H 1 9.020 0.05 . 1 . . . . 66 L HN . 16598 1 300 . 1 1 66 66 LEU C C 13 177.350 0.2 . 1 . . . . 66 L C . 16598 1 301 . 1 1 66 66 LEU CA C 13 57.650 0.2 . 1 . . . . 66 L CA . 16598 1 302 . 1 1 66 66 LEU CB C 13 41.570 0.2 . 1 . . . . 66 L CB . 16598 1 303 . 1 1 66 66 LEU N N 15 122.960 0.2 . 1 . . . . 66 L N . 16598 1 304 . 1 1 67 67 GLY H H 1 8.360 0.05 . 1 . . . . 67 G HN . 16598 1 305 . 1 1 67 67 GLY C C 13 173.820 0.2 . 1 . . . . 67 G C . 16598 1 306 . 1 1 67 67 GLY CA C 13 44.520 0.2 . 1 . . . . 67 G CA . 16598 1 307 . 1 1 67 67 GLY N N 15 102.011 0.2 . 1 . . . . 67 G N . 16598 1 308 . 1 1 68 68 ARG H H 1 7.320 0.05 . 1 . . . . 68 R HN . 16598 1 309 . 1 1 68 68 ARG C C 13 174.700 0.2 . 1 . . . . 68 R C . 16598 1 310 . 1 1 68 68 ARG CA C 13 58.020 0.2 . 1 . . . . 68 R CA . 16598 1 311 . 1 1 68 68 ARG CB C 13 31.920 0.2 . 1 . . . . 68 R CB . 16598 1 312 . 1 1 68 68 ARG N N 15 122.530 0.2 . 1 . . . . 68 R N . 16598 1 313 . 1 1 69 69 ARG H H 1 8.500 0.05 . 1 . . . . 69 R HN . 16598 1 314 . 1 1 69 69 ARG C C 13 174.470 0.2 . 1 . . . . 69 R C . 16598 1 315 . 1 1 69 69 ARG CA C 13 56.550 0.2 . 1 . . . . 69 R CA . 16598 1 316 . 1 1 69 69 ARG CB C 13 31.660 0.2 . 1 . . . . 69 R CB . 16598 1 317 . 1 1 69 69 ARG N N 15 127.260 0.2 . 1 . . . . 69 R N . 16598 1 318 . 1 1 70 70 ILE H H 1 9.080 0.05 . 1 . . . . 70 I HN . 16598 1 319 . 1 1 70 70 ILE C C 13 174.510 0.2 . 1 . . . . 70 I C . 16598 1 320 . 1 1 70 70 ILE CA C 13 60.240 0.2 . 1 . . . . 70 I CA . 16598 1 321 . 1 1 70 70 ILE CB C 13 38.940 0.2 . 1 . . . . 70 I CB . 16598 1 322 . 1 1 70 70 ILE N N 15 130.220 0.2 . 1 . . . . 70 I N . 16598 1 323 . 1 1 71 71 HIS H H 1 8.440 0.05 . 1 . . . . 71 H HN . 16598 1 324 . 1 1 71 71 HIS C C 13 174.150 0.2 . 1 . . . . 71 H C . 16598 1 325 . 1 1 71 71 HIS CA C 13 55.400 0.2 . 1 . . . . 71 H CA . 16598 1 326 . 1 1 71 71 HIS CB C 13 31.040 0.2 . 1 . . . . 71 H CB . 16598 1 327 . 1 1 71 71 HIS N N 15 124.650 0.2 . 1 . . . . 71 H N . 16598 1 328 . 1 1 72 72 TYR H H 1 8.490 0.05 . 1 . . . . 72 Y HN . 16598 1 329 . 1 1 72 72 TYR C C 13 173.020 0.2 . 1 . . . . 72 Y C . 16598 1 330 . 1 1 72 72 TYR CA C 13 55.990 0.2 . 1 . . . . 72 Y CA . 16598 1 331 . 1 1 72 72 TYR CB C 13 38.760 0.2 . 1 . . . . 72 Y CB . 16598 1 332 . 1 1 72 72 TYR N N 15 120.950 0.2 . 1 . . . . 72 Y N . 16598 1 333 . 1 1 73 73 SER H H 1 9.420 0.05 . 1 . . . . 73 S HN . 16598 1 334 . 1 1 73 73 SER C C 13 175.650 0.2 . 1 . . . . 73 S C . 16598 1 335 . 1 1 73 73 SER CA C 13 57.010 0.2 . 1 . . . . 73 S CA . 16598 1 336 . 1 1 73 73 SER CB C 13 67.380 0.2 . 1 . . . . 73 S CB . 16598 1 337 . 1 1 73 73 SER N N 15 114.570 0.2 . 1 . . . . 73 S N . 16598 1 338 . 1 1 74 74 GLN H H 1 9.070 0.05 . 1 . . . . 74 Q HN . 16598 1 339 . 1 1 74 74 GLN C C 13 177.950 0.2 . 1 . . . . 74 Q C . 16598 1 340 . 1 1 74 74 GLN CA C 13 59.100 0.2 . 1 . . . . 74 Q CA . 16598 1 341 . 1 1 74 74 GLN CB C 13 28.210 0.2 . 1 . . . . 74 Q CB . 16598 1 342 . 1 1 74 74 GLN N N 15 121.880 0.2 . 1 . . . . 74 Q N . 16598 1 343 . 1 1 75 75 ASN H H 1 8.210 0.05 . 1 . . . . 75 N HN . 16598 1 344 . 1 1 75 75 ASN C C 13 175.610 0.2 . 1 . . . . 75 N C . 16598 1 345 . 1 1 75 75 ASN CA C 13 55.080 0.2 . 1 . . . . 75 N CA . 16598 1 346 . 1 1 75 75 ASN CB C 13 38.190 0.2 . 1 . . . . 75 N CB . 16598 1 347 . 1 1 75 75 ASN N N 15 115.180 0.2 . 1 . . . . 75 N N . 16598 1 348 . 1 1 76 76 ASP H H 1 7.890 0.05 . 1 . . . . 76 D HN . 16598 1 349 . 1 1 76 76 ASP C C 13 175.600 0.2 . 1 . . . . 76 D C . 16598 1 350 . 1 1 76 76 ASP CA C 13 55.760 0.2 . 1 . . . . 76 D CA . 16598 1 351 . 1 1 76 76 ASP CB C 13 42.680 0.2 . 1 . . . . 76 D CB . 16598 1 352 . 1 1 76 76 ASP N N 15 116.650 0.2 . 1 . . . . 76 D N . 16598 1 353 . 1 1 77 77 LEU H H 1 7.120 0.05 . 1 . . . . 77 L HN . 16598 1 354 . 1 1 77 77 LEU C C 13 177.940 0.2 . 1 . . . . 77 L C . 16598 1 355 . 1 1 77 77 LEU CA C 13 55.340 0.2 . 1 . . . . 77 L CA . 16598 1 356 . 1 1 77 77 LEU CB C 13 41.980 0.2 . 1 . . . . 77 L CB . 16598 1 357 . 1 1 77 77 LEU N N 15 116.770 0.2 . 1 . . . . 77 L N . 16598 1 358 . 1 1 78 78 VAL H H 1 7.730 0.05 . 1 . . . . 78 V HN . 16598 1 359 . 1 1 78 78 VAL C C 13 176.560 0.2 . 1 . . . . 78 V C . 16598 1 360 . 1 1 78 78 VAL CA C 13 58.830 0.2 . 1 . . . . 78 V CA . 16598 1 361 . 1 1 78 78 VAL CB C 13 34.470 0.2 . 1 . . . . 78 V CB . 16598 1 362 . 1 1 78 78 VAL N N 15 117.160 0.2 . 1 . . . . 78 V N . 16598 1 363 . 1 1 79 79 GLU H H 1 8.510 0.05 . 1 . . . . 79 E HN . 16598 1 364 . 1 1 79 79 GLU C C 13 174.930 0.2 . 1 . . . . 79 E C . 16598 1 365 . 1 1 79 79 GLU CA C 13 57.930 0.2 . 1 . . . . 79 E CA . 16598 1 366 . 1 1 79 79 GLU CB C 13 30.230 0.2 . 1 . . . . 79 E CB . 16598 1 367 . 1 1 79 79 GLU N N 15 123.220 0.2 . 1 . . . . 79 E N . 16598 1 368 . 1 1 80 80 TYR H H 1 8.670 0.05 . 1 . . . . 80 Y HN . 16598 1 369 . 1 1 80 80 TYR C C 13 172.120 0.2 . 1 . . . . 80 Y C . 16598 1 370 . 1 1 80 80 TYR CA C 13 60.520 0.2 . 1 . . . . 80 Y CA . 16598 1 371 . 1 1 80 80 TYR CB C 13 36.130 0.2 . 1 . . . . 80 Y CB . 16598 1 372 . 1 1 80 80 TYR N N 15 121.230 0.2 . 1 . . . . 80 Y N . 16598 1 373 . 1 1 81 81 SER H H 1 8.340 0.05 . 1 . . . . 81 S HN . 16598 1 374 . 1 1 81 81 SER CA C 13 55.810 0.2 . 1 . . . . 81 S CA . 16598 1 375 . 1 1 81 81 SER CB C 13 64.940 0.2 . 1 . . . . 81 S CB . 16598 1 376 . 1 1 81 81 SER N N 15 119.730 0.2 . 1 . . . . 81 S N . 16598 1 377 . 1 1 82 82 PRO C C 13 177.740 0.2 . 1 . . . . 82 P C . 16598 1 378 . 1 1 82 82 PRO CA C 13 64.094 0.2 . 1 . . . . 82 P CA . 16598 1 379 . 1 1 82 82 PRO CB C 13 31.942 0.2 . 1 . . . . 82 P CB . 16598 1 380 . 1 1 83 83 VAL H H 1 8.660 0.05 . 1 . . . . 83 V HN . 16598 1 381 . 1 1 83 83 VAL C C 13 179.060 0.2 . 1 . . . . 83 V C . 16598 1 382 . 1 1 83 83 VAL CA C 13 64.570 0.2 . 1 . . . . 83 V CA . 16598 1 383 . 1 1 83 83 VAL CB C 13 33.140 0.2 . 1 . . . . 83 V CB . 16598 1 384 . 1 1 83 83 VAL N N 15 118.380 0.2 . 1 . . . . 83 V N . 16598 1 385 . 1 1 84 84 THR H H 1 9.630 0.05 . 1 . . . . 84 T HN . 16598 1 386 . 1 1 84 84 THR C C 13 181.920 0.2 . 1 . . . . 84 T C . 16598 1 387 . 1 1 84 84 THR CA C 13 63.970 0.2 . 1 . . . . 84 T CA . 16598 1 388 . 1 1 84 84 THR CB C 13 69.270 0.2 . 1 . . . . 84 T CB . 16598 1 389 . 1 1 84 84 THR N N 15 113.620 0.2 . 1 . . . . 84 T N . 16598 1 390 . 1 1 85 85 GLU H H 1 8.170 0.05 . 1 . . . . 85 E HN . 16598 1 391 . 1 1 85 85 GLU C C 13 176.430 0.2 . 1 . . . . 85 E C . 16598 1 392 . 1 1 85 85 GLU CA C 13 58.840 0.2 . 1 . . . . 85 E CA . 16598 1 393 . 1 1 85 85 GLU CB C 13 28.590 0.2 . 1 . . . . 85 E CB . 16598 1 394 . 1 1 85 85 GLU N N 15 119.980 0.2 . 1 . . . . 85 E N . 16598 1 395 . 1 1 86 86 LYS H H 1 7.420 0.05 . 1 . . . . 86 K HN . 16598 1 396 . 1 1 86 86 LYS C C 13 177.260 0.2 . 1 . . . . 86 K C . 16598 1 397 . 1 1 86 86 LYS CA C 13 55.890 0.2 . 1 . . . . 86 K CA . 16598 1 398 . 1 1 86 86 LYS CB C 13 32.560 0.2 . 1 . . . . 86 K CB . 16598 1 399 . 1 1 86 86 LYS N N 15 116.200 0.2 . 1 . . . . 86 K N . 16598 1 400 . 1 1 87 87 HIS H H 1 7.120 0.05 . 1 . . . . 87 H HN . 16598 1 401 . 1 1 87 87 HIS C C 13 174.490 0.2 . 1 . . . . 87 H C . 16598 1 402 . 1 1 87 87 HIS CA C 13 55.240 0.2 . 1 . . . . 87 H CA . 16598 1 403 . 1 1 87 87 HIS CB C 13 28.730 0.2 . 1 . . . . 87 H CB . 16598 1 404 . 1 1 87 87 HIS N N 15 116.190 0.2 . 1 . . . . 87 H N . 16598 1 405 . 1 1 88 88 LEU H H 1 7.840 0.05 . 1 . . . . 88 L HN . 16598 1 406 . 1 1 88 88 LEU C C 13 179.130 0.2 . 1 . . . . 88 L C . 16598 1 407 . 1 1 88 88 LEU CA C 13 58.220 0.2 . 1 . . . . 88 L CA . 16598 1 408 . 1 1 88 88 LEU CB C 13 42.020 0.2 . 1 . . . . 88 L CB . 16598 1 409 . 1 1 88 88 LEU N N 15 120.230 0.2 . 1 . . . . 88 L N . 16598 1 410 . 1 1 89 89 THR H H 1 8.290 0.05 . 1 . . . . 89 T HN . 16598 1 411 . 1 1 89 89 THR C C 13 175.610 0.2 . 1 . . . . 89 T C . 16598 1 412 . 1 1 89 89 THR CA C 13 64.400 0.2 . 1 . . . . 89 T CA . 16598 1 413 . 1 1 89 89 THR CB C 13 68.870 0.2 . 1 . . . . 89 T CB . 16598 1 414 . 1 1 89 89 THR N N 15 109.270 0.2 . 1 . . . . 89 T N . 16598 1 415 . 1 1 90 90 ASP H H 1 8.770 0.05 . 1 . . . . 90 D HN . 16598 1 416 . 1 1 90 90 ASP C C 13 177.650 0.2 . 1 . . . . 90 D C . 16598 1 417 . 1 1 90 90 ASP CA C 13 53.950 0.2 . 1 . . . . 90 D CA . 16598 1 418 . 1 1 90 90 ASP CB C 13 40.460 0.2 . 1 . . . . 90 D CB . 16598 1 419 . 1 1 90 90 ASP N N 15 117.120 0.2 . 1 . . . . 90 D N . 16598 1 420 . 1 1 91 91 GLY H H 1 7.900 0.05 . 1 . . . . 91 G HN . 16598 1 421 . 1 1 91 91 GLY C C 13 171.630 0.2 . 1 . . . . 91 G C . 16598 1 422 . 1 1 91 91 GLY CA C 13 45.110 0.2 . 1 . . . . 91 G CA . 16598 1 423 . 1 1 91 91 GLY N N 15 110.780 0.2 . 1 . . . . 91 G N . 16598 1 424 . 1 1 92 92 MET H H 1 8.280 0.05 . 1 . . . . 92 M HN . 16598 1 425 . 1 1 92 92 MET C C 13 175.120 0.2 . 1 . . . . 92 M C . 16598 1 426 . 1 1 92 92 MET CA C 13 54.940 0.2 . 1 . . . . 92 M CA . 16598 1 427 . 1 1 92 92 MET CB C 13 40.400 0.2 . 1 . . . . 92 M CB . 16598 1 428 . 1 1 92 92 MET N N 15 113.430 0.2 . 1 . . . . 92 M N . 16598 1 429 . 1 1 93 93 THR H H 1 8.900 0.05 . 1 . . . . 93 T HN . 16598 1 430 . 1 1 93 93 THR C C 13 175.830 0.2 . 1 . . . . 93 T C . 16598 1 431 . 1 1 93 93 THR CA C 13 60.170 0.2 . 1 . . . . 93 T CA . 16598 1 432 . 1 1 93 93 THR CB C 13 70.980 0.2 . 1 . . . . 93 T CB . 16598 1 433 . 1 1 93 93 THR N N 15 112.210 0.2 . 1 . . . . 93 T N . 16598 1 434 . 1 1 94 94 VAL H H 1 8.090 0.05 . 1 . . . . 94 V HN . 16598 1 435 . 1 1 94 94 VAL C C 13 177.930 0.2 . 1 . . . . 94 V C . 16598 1 436 . 1 1 94 94 VAL CA C 13 68.170 0.2 . 1 . . . . 94 V CA . 16598 1 437 . 1 1 94 94 VAL CB C 13 31.760 0.2 . 1 . . . . 94 V CB . 16598 1 438 . 1 1 94 94 VAL N N 15 121.970 0.2 . 1 . . . . 94 V N . 16598 1 439 . 1 1 95 95 ARG H H 1 9.030 0.05 . 1 . . . . 95 R HN . 16598 1 440 . 1 1 95 95 ARG C C 13 177.590 0.2 . 1 . . . . 95 R C . 16598 1 441 . 1 1 95 95 ARG CA C 13 60.200 0.2 . 1 . . . . 95 R CA . 16598 1 442 . 1 1 95 95 ARG CB C 13 31.350 0.2 . 1 . . . . 95 R CB . 16598 1 443 . 1 1 95 95 ARG N N 15 118.350 0.2 . 1 . . . . 95 R N . 16598 1 444 . 1 1 96 96 GLU H H 1 7.620 0.05 . 1 . . . . 96 E HN . 16598 1 445 . 1 1 96 96 GLU C C 13 180.510 0.2 . 1 . . . . 96 E C . 16598 1 446 . 1 1 96 96 GLU CA C 13 58.440 0.2 . 1 . . . . 96 E CA . 16598 1 447 . 1 1 96 96 GLU CB C 13 30.080 0.2 . 1 . . . . 96 E CB . 16598 1 448 . 1 1 96 96 GLU N N 15 118.310 0.2 . 1 . . . . 96 E N . 16598 1 449 . 1 1 97 97 LEU H H 1 9.070 0.05 . 1 . . . . 97 L HN . 16598 1 450 . 1 1 97 97 LEU C C 13 179.070 0.2 . 1 . . . . 97 L C . 16598 1 451 . 1 1 97 97 LEU CA C 13 58.040 0.2 . 1 . . . . 97 L CA . 16598 1 452 . 1 1 97 97 LEU CB C 13 41.130 0.2 . 1 . . . . 97 L CB . 16598 1 453 . 1 1 97 97 LEU N N 15 122.820 0.2 . 1 . . . . 97 L N . 16598 1 454 . 1 1 98 98 CYS H H 1 8.110 0.05 . 1 . . . . 98 C HN . 16598 1 455 . 1 1 98 98 CYS C C 13 175.960 0.2 . 1 . . . . 98 C C . 16598 1 456 . 1 1 98 98 CYS CA C 13 62.300 0.2 . 1 . . . . 98 C CA . 16598 1 457 . 1 1 98 98 CYS CB C 13 42.460 0.2 . 1 . . . . 98 C CB . 16598 1 458 . 1 1 98 98 CYS N N 15 118.910 0.2 . 1 . . . . 98 C N . 16598 1 459 . 1 1 99 99 SER H H 1 7.710 0.05 . 1 . . . . 99 S HN . 16598 1 460 . 1 1 99 99 SER C C 13 178.980 0.2 . 1 . . . . 99 S C . 16598 1 461 . 1 1 99 99 SER CA C 13 61.400 0.2 . 1 . . . . 99 S CA . 16598 1 462 . 1 1 99 99 SER CB C 13 62.610 0.2 . 1 . . . . 99 S CB . 16598 1 463 . 1 1 99 99 SER N N 15 113.340 0.2 . 1 . . . . 99 S N . 16598 1 464 . 1 1 100 100 ALA H H 1 8.480 0.05 . 1 . . . . 100 A HN . 16598 1 465 . 1 1 100 100 ALA C C 13 180.210 0.2 . 1 . . . . 100 A C . 16598 1 466 . 1 1 100 100 ALA CA C 13 55.640 0.2 . 1 . . . . 100 A CA . 16598 1 467 . 1 1 100 100 ALA CB C 13 17.520 0.2 . 1 . . . . 100 A CB . 16598 1 468 . 1 1 100 100 ALA N N 15 124.560 0.2 . 1 . . . . 100 A N . 16598 1 469 . 1 1 101 101 ALA H H 1 8.630 0.05 . 1 . . . . 101 A HN . 16598 1 470 . 1 1 101 101 ALA C C 13 178.440 0.2 . 1 . . . . 101 A C . 16598 1 471 . 1 1 101 101 ALA CA C 13 55.120 0.2 . 1 . . . . 101 A CA . 16598 1 472 . 1 1 101 101 ALA CB C 13 17.540 0.2 . 1 . . . . 101 A CB . 16598 1 473 . 1 1 101 101 ALA N N 15 120.810 0.2 . 1 . . . . 101 A N . 16598 1 474 . 1 1 102 102 ILE H H 1 8.210 0.05 . 1 . . . . 102 I HN . 16598 1 475 . 1 1 102 102 ILE C C 13 176.610 0.2 . 1 . . . . 102 I C . 16598 1 476 . 1 1 102 102 ILE CA C 13 65.020 0.2 . 1 . . . . 102 I CA . 16598 1 477 . 1 1 102 102 ILE CB C 13 38.180 0.2 . 1 . . . . 102 I CB . 16598 1 478 . 1 1 102 102 ILE N N 15 113.640 0.2 . 1 . . . . 102 I N . 16598 1 479 . 1 1 103 103 THR H H 1 8.960 0.05 . 1 . . . . 103 T HN . 16598 1 480 . 1 1 103 103 THR C C 13 175.930 0.2 . 1 . . . . 103 T C . 16598 1 481 . 1 1 103 103 THR CA C 13 65.340 0.2 . 1 . . . . 103 T CA . 16598 1 482 . 1 1 103 103 THR N N 15 109.770 0.2 . 1 . . . . 103 T N . 16598 1 483 . 1 1 104 104 MET H H 1 6.720 0.05 . 1 . . . . 104 M HN . 16598 1 484 . 1 1 104 104 MET C C 13 176.210 0.2 . 1 . . . . 104 M C . 16598 1 485 . 1 1 104 104 MET CA C 13 53.090 0.2 . 1 . . . . 104 M CA . 16598 1 486 . 1 1 104 104 MET CB C 13 33.354 0.2 . 1 . . . . 104 M CB . 16598 1 487 . 1 1 104 104 MET N N 15 114.200 0.2 . 1 . . . . 104 M N . 16598 1 488 . 1 1 105 105 SER H H 1 7.130 0.05 . 1 . . . . 105 S HN . 16598 1 489 . 1 1 105 105 SER CA C 13 59.410 0.2 . 1 . . . . 105 S CA . 16598 1 490 . 1 1 105 105 SER N N 15 114.910 0.2 . 1 . . . . 105 S N . 16598 1 491 . 1 1 107 107 ASN C C 13 177.950 0.2 . 1 . . . . 107 N C . 16598 1 492 . 1 1 107 107 ASN CA C 13 56.237 0.2 . 1 . . . . 107 N CA . 16598 1 493 . 1 1 107 107 ASN CB C 13 38.910 0.2 . 1 . . . . 107 N CB . 16598 1 494 . 1 1 108 108 THR H H 1 7.620 0.05 . 1 . . . . 108 T HN . 16598 1 495 . 1 1 108 108 THR C C 13 176.430 0.2 . 1 . . . . 108 T C . 16598 1 496 . 1 1 108 108 THR CA C 13 67.990 0.2 . 1 . . . . 108 T CA . 16598 1 497 . 1 1 108 108 THR CB C 13 66.990 0.2 . 1 . . . . 108 T CB . 16598 1 498 . 1 1 108 108 THR N N 15 119.880 0.2 . 1 . . . . 108 T N . 16598 1 499 . 1 1 109 109 ALA H H 1 8.880 0.05 . 1 . . . . 109 A HN . 16598 1 500 . 1 1 109 109 ALA C C 13 178.460 0.2 . 1 . . . . 109 A C . 16598 1 501 . 1 1 109 109 ALA CA C 13 55.260 0.2 . 1 . . . . 109 A CA . 16598 1 502 . 1 1 109 109 ALA CB C 13 18.750 0.2 . 1 . . . . 109 A CB . 16598 1 503 . 1 1 109 109 ALA N N 15 122.700 0.2 . 1 . . . . 109 A N . 16598 1 504 . 1 1 110 110 ALA H H 1 7.020 0.05 . 1 . . . . 110 A HN . 16598 1 505 . 1 1 110 110 ALA C C 13 177.930 0.2 . 1 . . . . 110 A C . 16598 1 506 . 1 1 110 110 ALA CA C 13 54.580 0.2 . 1 . . . . 110 A CA . 16598 1 507 . 1 1 110 110 ALA CB C 13 19.270 0.2 . 1 . . . . 110 A CB . 16598 1 508 . 1 1 110 110 ALA N N 15 115.460 0.2 . 1 . . . . 110 A N . 16598 1 509 . 1 1 111 111 ASN H H 1 7.830 0.05 . 1 . . . . 111 N HN . 16598 1 510 . 1 1 111 111 ASN C C 13 179.340 0.2 . 1 . . . . 111 N C . 16598 1 511 . 1 1 111 111 ASN CA C 13 55.830 0.2 . 1 . . . . 111 N CA . 16598 1 512 . 1 1 111 111 ASN CB C 13 36.820 0.2 . 1 . . . . 111 N CB . 16598 1 513 . 1 1 111 111 ASN N N 15 120.290 0.2 . 1 . . . . 111 N N . 16598 1 514 . 1 1 112 112 LEU H H 1 8.960 0.05 . 1 . . . . 112 L HN . 16598 1 515 . 1 1 112 112 LEU C C 13 180.980 0.2 . 1 . . . . 112 L C . 16598 1 516 . 1 1 112 112 LEU CA C 13 57.770 0.2 . 1 . . . . 112 L CA . 16598 1 517 . 1 1 112 112 LEU CB C 13 42.110 0.2 . 1 . . . . 112 L CB . 16598 1 518 . 1 1 112 112 LEU N N 15 121.970 0.2 . 1 . . . . 112 L N . 16598 1 519 . 1 1 113 113 LEU H H 1 8.030 0.05 . 1 . . . . 113 L HN . 16598 1 520 . 1 1 113 113 LEU C C 13 180.680 0.2 . 1 . . . . 113 L C . 16598 1 521 . 1 1 113 113 LEU CA C 13 57.370 0.2 . 1 . . . . 113 L CA . 16598 1 522 . 1 1 113 113 LEU CB C 13 42.830 0.2 . 1 . . . . 113 L CB . 16598 1 523 . 1 1 113 113 LEU N N 15 119.830 0.2 . 1 . . . . 113 L N . 16598 1 524 . 1 1 114 114 LEU H H 1 8.990 0.05 . 1 . . . . 114 L HN . 16598 1 525 . 1 1 114 114 LEU C C 13 179.570 0.2 . 1 . . . . 114 L C . 16598 1 526 . 1 1 114 114 LEU CA C 13 58.390 0.2 . 1 . . . . 114 L CA . 16598 1 527 . 1 1 114 114 LEU CB C 13 42.400 0.2 . 1 . . . . 114 L CB . 16598 1 528 . 1 1 114 114 LEU N N 15 123.370 0.2 . 1 . . . . 114 L N . 16598 1 529 . 1 1 115 115 THR H H 1 8.130 0.05 . 1 . . . . 115 T HN . 16598 1 530 . 1 1 115 115 THR C C 13 177.570 0.2 . 1 . . . . 115 T C . 16598 1 531 . 1 1 115 115 THR CA C 13 66.770 0.2 . 1 . . . . 115 T CA . 16598 1 532 . 1 1 115 115 THR CB C 13 68.340 0.2 . 1 . . . . 115 T CB . 16598 1 533 . 1 1 115 115 THR N N 15 116.280 0.2 . 1 . . . . 115 T N . 16598 1 534 . 1 1 116 116 THR H H 1 7.590 0.05 . 1 . . . . 116 T HN . 16598 1 535 . 1 1 116 116 THR C C 13 175.690 0.2 . 1 . . . . 116 T C . 16598 1 536 . 1 1 116 116 THR CA C 13 65.460 0.2 . 1 . . . . 116 T CA . 16598 1 537 . 1 1 116 116 THR CB C 13 68.720 0.2 . 1 . . . . 116 T CB . 16598 1 538 . 1 1 116 116 THR N N 15 113.190 0.2 . 1 . . . . 116 T N . 16598 1 539 . 1 1 117 117 ILE H H 1 6.930 0.05 . 1 . . . . 117 I HN . 16598 1 540 . 1 1 117 117 ILE C C 13 175.190 0.2 . 1 . . . . 117 I C . 16598 1 541 . 1 1 117 117 ILE CA C 13 61.080 0.2 . 1 . . . . 117 I CA . 16598 1 542 . 1 1 117 117 ILE CB C 13 38.920 0.2 . 1 . . . . 117 I CB . 16598 1 543 . 1 1 117 117 ILE N N 15 112.050 0.2 . 1 . . . . 117 I N . 16598 1 544 . 1 1 118 118 GLY H H 1 7.440 0.05 . 1 . . . . 118 G HN . 16598 1 545 . 1 1 118 118 GLY C C 13 174.940 0.2 . 1 . . . . 118 G C . 16598 1 546 . 1 1 118 118 GLY CA C 13 45.180 0.2 . 1 . . . . 118 G CA . 16598 1 547 . 1 1 118 118 GLY N N 15 106.701 0.2 . 1 . . . . 118 G N . 16598 1 548 . 1 1 119 119 GLY H H 1 8.090 0.05 . 1 . . . . 119 G HN . 16598 1 549 . 1 1 119 119 GLY CA C 13 45.700 0.2 . 1 . . . . 119 G CA . 16598 1 550 . 1 1 119 119 GLY N N 15 108.960 0.2 . 1 . . . . 119 G N . 16598 1 551 . 1 1 120 120 PRO C C 13 177.950 0.2 . 1 . . . . 120 P C . 16598 1 552 . 1 1 120 120 PRO CA C 13 66.369 0.2 . 1 . . . . 120 P CA . 16598 1 553 . 1 1 120 120 PRO CB C 13 32.271 0.2 . 1 . . . . 120 P CB . 16598 1 554 . 1 1 121 121 LYS H H 1 8.610 0.05 . 1 . . . . 121 K HN . 16598 1 555 . 1 1 121 121 LYS C C 13 178.960 0.2 . 1 . . . . 121 K C . 16598 1 556 . 1 1 121 121 LYS CA C 13 59.740 0.2 . 1 . . . . 121 K CA . 16598 1 557 . 1 1 121 121 LYS CB C 13 32.170 0.2 . 1 . . . . 121 K CB . 16598 1 558 . 1 1 121 121 LYS N N 15 118.110 0.2 . 1 . . . . 121 K N . 16598 1 559 . 1 1 122 122 GLU H H 1 7.350 0.05 . 1 . . . . 122 E HN . 16598 1 560 . 1 1 122 122 GLU C C 13 180.530 0.2 . 1 . . . . 122 E C . 16598 1 561 . 1 1 122 122 GLU CA C 13 58.530 0.2 . 1 . . . . 122 E CA . 16598 1 562 . 1 1 122 122 GLU CB C 13 29.170 0.2 . 1 . . . . 122 E CB . 16598 1 563 . 1 1 122 122 GLU N N 15 118.300 0.2 . 1 . . . . 122 E N . 16598 1 564 . 1 1 123 123 LEU H H 1 7.770 0.05 . 1 . . . . 123 L HN . 16598 1 565 . 1 1 123 123 LEU C C 13 177.900 0.2 . 1 . . . . 123 L C . 16598 1 566 . 1 1 123 123 LEU CA C 13 57.780 0.2 . 1 . . . . 123 L CA . 16598 1 567 . 1 1 123 123 LEU CB C 13 40.540 0.2 . 1 . . . . 123 L CB . 16598 1 568 . 1 1 123 123 LEU N N 15 121.500 0.2 . 1 . . . . 123 L N . 16598 1 569 . 1 1 124 124 THR H H 1 8.350 0.05 . 1 . . . . 124 T HN . 16598 1 570 . 1 1 124 124 THR C C 13 175.330 0.2 . 1 . . . . 124 T C . 16598 1 571 . 1 1 124 124 THR CA C 13 68.500 0.2 . 1 . . . . 124 T CA . 16598 1 572 . 1 1 124 124 THR N N 15 117.260 0.2 . 1 . . . . 124 T N . 16598 1 573 . 1 1 125 125 ASP H H 1 8.400 0.05 . 1 . . . . 125 D HN . 16598 1 574 . 1 1 125 125 ASP C C 13 178.780 0.2 . 1 . . . . 125 D C . 16598 1 575 . 1 1 125 125 ASP CA C 13 58.180 0.2 . 1 . . . . 125 D CA . 16598 1 576 . 1 1 125 125 ASP CB C 13 40.590 0.2 . 1 . . . . 125 D CB . 16598 1 577 . 1 1 125 125 ASP N N 15 121.160 0.2 . 1 . . . . 125 D N . 16598 1 578 . 1 1 126 126 PHE H H 1 7.920 0.05 . 1 . . . . 126 F HN . 16598 1 579 . 1 1 126 126 PHE C C 13 176.280 0.2 . 1 . . . . 126 F C . 16598 1 580 . 1 1 126 126 PHE CA C 13 61.030 0.2 . 1 . . . . 126 F CA . 16598 1 581 . 1 1 126 126 PHE CB C 13 38.070 0.2 . 1 . . . . 126 F CB . 16598 1 582 . 1 1 126 126 PHE N N 15 122.170 0.2 . 1 . . . . 126 F N . 16598 1 583 . 1 1 127 127 LEU H H 1 7.980 0.05 . 1 . . . . 127 L HN . 16598 1 584 . 1 1 127 127 LEU C C 13 178.820 0.2 . 1 . . . . 127 L C . 16598 1 585 . 1 1 127 127 LEU CA C 13 57.420 0.2 . 1 . . . . 127 L CA . 16598 1 586 . 1 1 127 127 LEU CB C 13 39.720 0.2 . 1 . . . . 127 L CB . 16598 1 587 . 1 1 127 127 LEU N N 15 118.930 0.2 . 1 . . . . 127 L N . 16598 1 588 . 1 1 128 128 ARG H H 1 8.460 0.05 . 1 . . . . 128 R HN . 16598 1 589 . 1 1 128 128 ARG C C 13 181.790 0.2 . 1 . . . . 128 R C . 16598 1 590 . 1 1 128 128 ARG CA C 13 57.430 0.2 . 1 . . . . 128 R CA . 16598 1 591 . 1 1 128 128 ARG CB C 13 28.750 0.2 . 1 . . . . 128 R CB . 16598 1 592 . 1 1 128 128 ARG N N 15 118.210 0.2 . 1 . . . . 128 R N . 16598 1 593 . 1 1 129 129 GLN H H 1 8.260 0.05 . 1 . . . . 129 Q HN . 16598 1 594 . 1 1 129 129 GLN C C 13 178.490 0.2 . 1 . . . . 129 Q C . 16598 1 595 . 1 1 129 129 GLN CA C 13 58.710 0.2 . 1 . . . . 129 Q CA . 16598 1 596 . 1 1 129 129 GLN CB C 13 28.190 0.2 . 1 . . . . 129 Q CB . 16598 1 597 . 1 1 129 129 GLN N N 15 121.090 0.2 . 1 . . . . 129 Q N . 16598 1 598 . 1 1 130 130 ILE H H 1 7.430 0.05 . 1 . . . . 130 I HN . 16598 1 599 . 1 1 130 130 ILE C C 13 176.480 0.2 . 1 . . . . 130 I C . 16598 1 600 . 1 1 130 130 ILE CA C 13 61.180 0.2 . 1 . . . . 130 I CA . 16598 1 601 . 1 1 130 130 ILE CB C 13 37.300 0.2 . 1 . . . . 130 I CB . 16598 1 602 . 1 1 130 130 ILE N N 15 110.950 0.2 . 1 . . . . 130 I N . 16598 1 603 . 1 1 131 131 GLY H H 1 7.580 0.05 . 1 . . . . 131 G HN . 16598 1 604 . 1 1 131 131 GLY C C 13 172.990 0.2 . 1 . . . . 131 G C . 16598 1 605 . 1 1 131 131 GLY CA C 13 45.750 0.2 . 1 . . . . 131 G CA . 16598 1 606 . 1 1 131 131 GLY N N 15 108.980 0.2 . 1 . . . . 131 G N . 16598 1 607 . 1 1 132 132 ASP H H 1 8.310 0.05 . 1 . . . . 132 D HN . 16598 1 608 . 1 1 132 132 ASP C C 13 176.300 0.2 . 1 . . . . 132 D C . 16598 1 609 . 1 1 132 132 ASP CA C 13 52.840 0.2 . 1 . . . . 132 D CA . 16598 1 610 . 1 1 132 132 ASP CB C 13 40.360 0.2 . 1 . . . . 132 D CB . 16598 1 611 . 1 1 132 132 ASP N N 15 122.860 0.2 . 1 . . . . 132 D N . 16598 1 612 . 1 1 133 133 LYS H H 1 8.630 0.05 . 1 . . . . 133 K HN . 16598 1 613 . 1 1 133 133 LYS C C 13 176.380 0.2 . 1 . . . . 133 K C . 16598 1 614 . 1 1 133 133 LYS CA C 13 56.300 0.2 . 1 . . . . 133 K CA . 16598 1 615 . 1 1 133 133 LYS CB C 13 32.987 0.2 . 1 . . . . 133 K CB . 16598 1 616 . 1 1 133 133 LYS N N 15 123.380 0.2 . 1 . . . . 133 K N . 16598 1 617 . 1 1 134 134 GLU H H 1 8.460 0.05 . 1 . . . . 134 E HN . 16598 1 618 . 1 1 134 134 GLU C C 13 177.570 0.2 . 1 . . . . 134 E C . 16598 1 619 . 1 1 134 134 GLU CA C 13 57.600 0.2 . 1 . . . . 134 E CA . 16598 1 620 . 1 1 134 134 GLU CB C 13 33.160 0.2 . 1 . . . . 134 E CB . 16598 1 621 . 1 1 134 134 GLU N N 15 117.540 0.2 . 1 . . . . 134 E N . 16598 1 622 . 1 1 135 135 THR H H 1 9.820 0.05 . 1 . . . . 135 T HN . 16598 1 623 . 1 1 135 135 THR C C 13 174.400 0.2 . 1 . . . . 135 T C . 16598 1 624 . 1 1 135 135 THR CA C 13 65.330 0.2 . 1 . . . . 135 T CA . 16598 1 625 . 1 1 135 135 THR CB C 13 66.770 0.2 . 1 . . . . 135 T CB . 16598 1 626 . 1 1 135 135 THR N N 15 124.460 0.2 . 1 . . . . 135 T N . 16598 1 627 . 1 1 136 136 ARG H H 1 8.870 0.05 . 1 . . . . 136 R HN . 16598 1 628 . 1 1 136 136 ARG C C 13 171.070 0.2 . 1 . . . . 136 R C . 16598 1 629 . 1 1 136 136 ARG CA C 13 54.650 0.2 . 1 . . . . 136 R CA . 16598 1 630 . 1 1 136 136 ARG CB C 13 33.650 0.2 . 1 . . . . 136 R CB . 16598 1 631 . 1 1 136 136 ARG N N 15 121.820 0.2 . 1 . . . . 136 R N . 16598 1 632 . 1 1 137 137 LEU H H 1 7.790 0.05 . 1 . . . . 137 L HN . 16598 1 633 . 1 1 137 137 LEU C C 13 174.070 0.2 . 1 . . . . 137 L C . 16598 1 634 . 1 1 137 137 LEU CA C 13 53.480 0.2 . 1 . . . . 137 L CA . 16598 1 635 . 1 1 137 137 LEU CB C 13 45.860 0.2 . 1 . . . . 137 L CB . 16598 1 636 . 1 1 137 137 LEU N N 15 121.670 0.2 . 1 . . . . 137 L N . 16598 1 637 . 1 1 138 138 ASP H H 1 10.090 0.05 . 1 . . . . 138 D HN . 16598 1 638 . 1 1 138 138 ASP C C 13 175.470 0.2 . 1 . . . . 138 D C . 16598 1 639 . 1 1 138 138 ASP CA C 13 55.520 0.2 . 1 . . . . 138 D CA . 16598 1 640 . 1 1 138 138 ASP CB C 13 45.690 0.2 . 1 . . . . 138 D CB . 16598 1 641 . 1 1 138 138 ASP N N 15 127.180 0.2 . 1 . . . . 138 D N . 16598 1 642 . 1 1 139 139 ARG H H 1 9.440 0.05 . 1 . . . . 139 R HN . 16598 1 643 . 1 1 139 139 ARG C C 13 171.900 0.2 . 1 . . . . 139 R C . 16598 1 644 . 1 1 139 139 ARG CA C 13 54.900 0.2 . 1 . . . . 139 R CA . 16598 1 645 . 1 1 139 139 ARG CB C 13 34.970 0.2 . 1 . . . . 139 R CB . 16598 1 646 . 1 1 139 139 ARG N N 15 125.570 0.2 . 1 . . . . 139 R N . 16598 1 647 . 1 1 140 140 ILE H H 1 7.080 0.05 . 1 . . . . 140 I HN . 16598 1 648 . 1 1 140 140 ILE C C 13 177.680 0.2 . 1 . . . . 140 I C . 16598 1 649 . 1 1 140 140 ILE CA C 13 59.440 0.2 . 1 . . . . 140 I CA . 16598 1 650 . 1 1 140 140 ILE CB C 13 37.920 0.2 . 1 . . . . 140 I CB . 16598 1 651 . 1 1 140 140 ILE N N 15 105.391 0.2 . 1 . . . . 140 I N . 16598 1 652 . 1 1 141 141 GLU H H 1 9.273 0.05 . 1 . . . . 141 E HN . 16598 1 653 . 1 1 141 141 GLU CA C 13 55.050 0.2 . 1 . . . . 141 E CA . 16598 1 654 . 1 1 141 141 GLU N N 15 116.456 0.2 . 1 . . . . 141 E N . 16598 1 655 . 1 1 142 142 PRO C C 13 176.986 0.2 . 1 . . . . 142 P C . 16598 1 656 . 1 1 142 142 PRO CA C 13 63.826 0.2 . 1 . . . . 142 P CA . 16598 1 657 . 1 1 142 142 PRO CB C 13 33.893 0.2 . 1 . . . . 142 P CB . 16598 1 658 . 1 1 143 143 ASP H H 1 8.210 0.05 . 1 . . . . 143 D HN . 16598 1 659 . 1 1 143 143 ASP C C 13 176.080 0.2 . 1 . . . . 143 D C . 16598 1 660 . 1 1 143 143 ASP CA C 13 57.360 0.2 . 1 . . . . 143 D CA . 16598 1 661 . 1 1 143 143 ASP CB C 13 40.996 0.2 . 1 . . . . 143 D CB . 16598 1 662 . 1 1 143 143 ASP N N 15 127.714 0.2 . 1 . . . . 143 D N . 16598 1 663 . 1 1 144 144 LEU H H 1 7.360 0.05 . 1 . . . . 144 L HN . 16598 1 664 . 1 1 144 144 LEU C C 13 176.840 0.2 . 1 . . . . 144 L C . 16598 1 665 . 1 1 144 144 LEU CA C 13 57.110 0.2 . 1 . . . . 144 L CA . 16598 1 666 . 1 1 144 144 LEU CB C 13 40.830 0.2 . 1 . . . . 144 L CB . 16598 1 667 . 1 1 144 144 LEU N N 15 112.620 0.2 . 1 . . . . 144 L N . 16598 1 668 . 1 1 145 145 ASN H H 1 7.690 0.05 . 1 . . . . 145 N HN . 16598 1 669 . 1 1 145 145 ASN C C 13 174.890 0.2 . 1 . . . . 145 N C . 16598 1 670 . 1 1 145 145 ASN CA C 13 53.830 0.2 . 1 . . . . 145 N CA . 16598 1 671 . 1 1 145 145 ASN CB C 13 40.350 0.2 . 1 . . . . 145 N CB . 16598 1 672 . 1 1 145 145 ASN N N 15 119.760 0.2 . 1 . . . . 145 N N . 16598 1 673 . 1 1 146 146 GLU H H 1 7.380 0.05 . 1 . . . . 146 E HN . 16598 1 674 . 1 1 146 146 GLU C C 13 176.940 0.2 . 1 . . . . 146 E C . 16598 1 675 . 1 1 146 146 GLU CA C 13 60.460 0.2 . 1 . . . . 146 E CA . 16598 1 676 . 1 1 146 146 GLU CB C 13 30.660 0.2 . 1 . . . . 146 E CB . 16598 1 677 . 1 1 146 146 GLU N N 15 121.580 0.2 . 1 . . . . 146 E N . 16598 1 678 . 1 1 147 147 GLY H H 1 9.510 0.05 . 1 . . . . 147 G HN . 16598 1 679 . 1 1 147 147 GLY CA C 13 46.988 0.2 . 1 . . . . 147 G CA . 16598 1 680 . 1 1 147 147 GLY N N 15 105.773 0.2 . 1 . . . . 147 G N . 16598 1 681 . 1 1 148 148 LYS C C 13 177.820 0.2 . 1 . . . . 148 K C . 16598 1 682 . 1 1 148 148 LYS CA C 13 58.001 0.2 . 1 . . . . 148 K CA . 16598 1 683 . 1 1 148 148 LYS CB C 13 32.144 0.2 . 1 . . . . 148 K CB . 16598 1 684 . 1 1 149 149 LEU H H 1 8.465 0.05 . 1 . . . . 149 L HN . 16598 1 685 . 1 1 149 149 LEU C C 13 178.770 0.2 . 1 . . . . 149 L C . 16598 1 686 . 1 1 149 149 LEU CA C 13 56.884 0.2 . 1 . . . . 149 L CA . 16598 1 687 . 1 1 149 149 LEU CB C 13 41.642 0.2 . 1 . . . . 149 L CB . 16598 1 688 . 1 1 149 149 LEU N N 15 127.277 0.2 . 1 . . . . 149 L N . 16598 1 689 . 1 1 150 150 GLY H H 1 9.050 0.05 . 1 . . . . 150 G HN . 16598 1 690 . 1 1 150 150 GLY C C 13 173.010 0.2 . 1 . . . . 150 G C . 16598 1 691 . 1 1 150 150 GLY CA C 13 45.340 0.2 . 1 . . . . 150 G CA . 16598 1 692 . 1 1 150 150 GLY N N 15 114.880 0.2 . 1 . . . . 150 G N . 16598 1 693 . 1 1 151 151 ASP H H 1 7.380 0.05 . 1 . . . . 151 D HN . 16598 1 694 . 1 1 151 151 ASP C C 13 177.000 0.2 . 1 . . . . 151 D C . 16598 1 695 . 1 1 151 151 ASP CA C 13 53.160 0.2 . 1 . . . . 151 D CA . 16598 1 696 . 1 1 151 151 ASP CB C 13 42.280 0.2 . 1 . . . . 151 D CB . 16598 1 697 . 1 1 151 151 ASP N N 15 121.010 0.2 . 1 . . . . 151 D N . 16598 1 698 . 1 1 152 152 LEU H H 1 8.600 0.05 . 1 . . . . 152 L HN . 16598 1 699 . 1 1 152 152 LEU C C 13 178.580 0.2 . 1 . . . . 152 L C . 16598 1 700 . 1 1 152 152 LEU CA C 13 55.300 0.2 . 1 . . . . 152 L CA . 16598 1 701 . 1 1 152 152 LEU CB C 13 42.800 0.2 . 1 . . . . 152 L CB . 16598 1 702 . 1 1 152 152 LEU N N 15 126.980 0.2 . 1 . . . . 152 L N . 16598 1 703 . 1 1 153 153 ARG H H 1 8.030 0.05 . 1 . . . . 153 R HN . 16598 1 704 . 1 1 153 153 ARG C C 13 177.160 0.2 . 1 . . . . 153 R C . 16598 1 705 . 1 1 153 153 ARG CA C 13 57.160 0.2 . 1 . . . . 153 R CA . 16598 1 706 . 1 1 153 153 ARG CB C 13 30.660 0.2 . 1 . . . . 153 R CB . 16598 1 707 . 1 1 153 153 ARG N N 15 120.780 0.2 . 1 . . . . 153 R N . 16598 1 708 . 1 1 154 154 ASP H H 1 8.870 0.05 . 1 . . . . 154 D HN . 16598 1 709 . 1 1 154 154 ASP C C 13 177.760 0.2 . 1 . . . . 154 D C . 16598 1 710 . 1 1 154 154 ASP CA C 13 55.690 0.2 . 1 . . . . 154 D CA . 16598 1 711 . 1 1 154 154 ASP CB C 13 42.470 0.2 . 1 . . . . 154 D CB . 16598 1 712 . 1 1 154 154 ASP N N 15 115.590 0.2 . 1 . . . . 154 D N . 16598 1 713 . 1 1 155 155 THR H H 1 7.240 0.05 . 1 . . . . 155 T HN . 16598 1 714 . 1 1 155 155 THR C C 13 173.290 0.2 . 1 . . . . 155 T C . 16598 1 715 . 1 1 155 155 THR CA C 13 59.530 0.2 . 1 . . . . 155 T CA . 16598 1 716 . 1 1 155 155 THR CB C 13 75.080 0.2 . 1 . . . . 155 T CB . 16598 1 717 . 1 1 155 155 THR N N 15 104.891 0.2 . 1 . . . . 155 T N . 16598 1 718 . 1 1 156 156 THR H H 1 8.310 0.05 . 1 . . . . 156 T HN . 16598 1 719 . 1 1 156 156 THR C C 13 173.390 0.2 . 1 . . . . 156 T C . 16598 1 720 . 1 1 156 156 THR CA C 13 59.990 0.2 . 1 . . . . 156 T CA . 16598 1 721 . 1 1 156 156 THR CB C 13 68.430 0.2 . 1 . . . . 156 T CB . 16598 1 722 . 1 1 156 156 THR N N 15 113.490 0.2 . 1 . . . . 156 T N . 16598 1 723 . 1 1 157 157 THR H H 1 8.760 0.05 . 1 . . . . 157 T HN . 16598 1 724 . 1 1 157 157 THR CA C 13 57.620 0.2 . 1 . . . . 157 T CA . 16598 1 725 . 1 1 157 157 THR CB C 13 69.090 0.2 . 1 . . . . 157 T CB . 16598 1 726 . 1 1 157 157 THR N N 15 111.310 0.2 . 1 . . . . 157 T N . 16598 1 727 . 1 1 158 158 PRO C C 13 176.870 0.2 . 1 . . . . 158 P C . 16598 1 728 . 1 1 158 158 PRO CA C 13 66.446 0.2 . 1 . . . . 158 P CA . 16598 1 729 . 1 1 158 158 PRO CB C 13 32.271 0.2 . 1 . . . . 158 P CB . 16598 1 730 . 1 1 159 159 LYS H H 1 8.430 0.05 . 1 . . . . 159 K HN . 16598 1 731 . 1 1 159 159 LYS C C 13 178.210 0.2 . 1 . . . . 159 K C . 16598 1 732 . 1 1 159 159 LYS CA C 13 60.170 0.2 . 1 . . . . 159 K CA . 16598 1 733 . 1 1 159 159 LYS CB C 13 33.600 0.2 . 1 . . . . 159 K CB . 16598 1 734 . 1 1 159 159 LYS N N 15 112.780 0.2 . 1 . . . . 159 K N . 16598 1 735 . 1 1 160 160 ALA H H 1 8.570 0.05 . 1 . . . . 160 A HN . 16598 1 736 . 1 1 160 160 ALA C C 13 180.050 0.2 . 1 . . . . 160 A C . 16598 1 737 . 1 1 160 160 ALA CA C 13 55.640 0.2 . 1 . . . . 160 A CA . 16598 1 738 . 1 1 160 160 ALA CB C 13 18.790 0.2 . 1 . . . . 160 A CB . 16598 1 739 . 1 1 160 160 ALA N N 15 124.370 0.2 . 1 . . . . 160 A N . 16598 1 740 . 1 1 161 161 ILE H H 1 8.260 0.05 . 1 . . . . 161 I HN . 16598 1 741 . 1 1 161 161 ILE C C 13 177.340 0.2 . 1 . . . . 161 I C . 16598 1 742 . 1 1 161 161 ILE CA C 13 65.990 0.2 . 1 . . . . 161 I CA . 16598 1 743 . 1 1 161 161 ILE CB C 13 36.540 0.2 . 1 . . . . 161 I CB . 16598 1 744 . 1 1 161 161 ILE N N 15 116.390 0.2 . 1 . . . . 161 I N . 16598 1 745 . 1 1 162 162 ALA H H 1 8.070 0.05 . 1 . . . . 162 A HN . 16598 1 746 . 1 1 162 162 ALA C C 13 178.930 0.2 . 1 . . . . 162 A C . 16598 1 747 . 1 1 162 162 ALA CA C 13 55.810 0.2 . 1 . . . . 162 A CA . 16598 1 748 . 1 1 162 162 ALA CB C 13 19.470 0.2 . 1 . . . . 162 A CB . 16598 1 749 . 1 1 162 162 ALA N N 15 124.220 0.2 . 1 . . . . 162 A N . 16598 1 750 . 1 1 163 163 SER H H 1 7.790 0.05 . 1 . . . . 163 S HN . 16598 1 751 . 1 1 163 163 SER C C 13 177.490 0.2 . 1 . . . . 163 S C . 16598 1 752 . 1 1 163 163 SER CA C 13 61.880 0.2 . 1 . . . . 163 S CA . 16598 1 753 . 1 1 163 163 SER CB C 13 62.750 0.2 . 1 . . . . 163 S CB . 16598 1 754 . 1 1 163 163 SER N N 15 112.500 0.2 . 1 . . . . 163 S N . 16598 1 755 . 1 1 164 164 THR H H 1 8.900 0.05 . 1 . . . . 164 T HN . 16598 1 756 . 1 1 164 164 THR C C 13 175.500 0.2 . 1 . . . . 164 T C . 16598 1 757 . 1 1 164 164 THR CA C 13 66.840 0.2 . 1 . . . . 164 T CA . 16598 1 758 . 1 1 164 164 THR CB C 13 67.450 0.2 . 1 . . . . 164 T CB . 16598 1 759 . 1 1 164 164 THR N N 15 123.120 0.2 . 1 . . . . 164 T N . 16598 1 760 . 1 1 165 165 LEU H H 1 9.040 0.05 . 1 . . . . 165 L HN . 16598 1 761 . 1 1 165 165 LEU C C 13 178.030 0.2 . 1 . . . . 165 L C . 16598 1 762 . 1 1 165 165 LEU CA C 13 58.260 0.2 . 1 . . . . 165 L CA . 16598 1 763 . 1 1 165 165 LEU CB C 13 41.410 0.2 . 1 . . . . 165 L CB . 16598 1 764 . 1 1 165 165 LEU N N 15 122.270 0.2 . 1 . . . . 165 L N . 16598 1 765 . 1 1 166 166 ARG H H 1 8.130 0.05 . 1 . . . . 166 R HN . 16598 1 766 . 1 1 166 166 ARG C C 13 178.420 0.2 . 1 . . . . 166 R C . 16598 1 767 . 1 1 166 166 ARG CA C 13 60.880 0.2 . 1 . . . . 166 R CA . 16598 1 768 . 1 1 166 166 ARG CB C 13 28.900 0.2 . 1 . . . . 166 R CB . 16598 1 769 . 1 1 166 166 ARG N N 15 117.990 0.2 . 1 . . . . 166 R N . 16598 1 770 . 1 1 167 167 LYS H H 1 7.900 0.05 . 1 . . . . 167 K HN . 16598 1 771 . 1 1 167 167 LYS C C 13 178.340 0.2 . 1 . . . . 167 K C . 16598 1 772 . 1 1 167 167 LYS CA C 13 59.920 0.2 . 1 . . . . 167 K CA . 16598 1 773 . 1 1 167 167 LYS CB C 13 32.670 0.2 . 1 . . . . 167 K CB . 16598 1 774 . 1 1 167 167 LYS N N 15 120.370 0.2 . 1 . . . . 167 K N . 16598 1 775 . 1 1 168 168 LEU H H 1 8.000 0.05 . 1 . . . . 168 L HN . 16598 1 776 . 1 1 168 168 LEU C C 13 177.500 0.2 . 1 . . . . 168 L C . 16598 1 777 . 1 1 168 168 LEU CA C 13 57.760 0.2 . 1 . . . . 168 L CA . 16598 1 778 . 1 1 168 168 LEU CB C 13 42.400 0.2 . 1 . . . . 168 L CB . 16598 1 779 . 1 1 168 168 LEU N N 15 116.590 0.2 . 1 . . . . 168 L N . 16598 1 780 . 1 1 169 169 LEU H H 1 7.940 0.05 . 1 . . . . 169 L HN . 16598 1 781 . 1 1 169 169 LEU C C 13 178.120 0.2 . 1 . . . . 169 L C . 16598 1 782 . 1 1 169 169 LEU CA C 13 56.430 0.2 . 1 . . . . 169 L CA . 16598 1 783 . 1 1 169 169 LEU CB C 13 43.380 0.2 . 1 . . . . 169 L CB . 16598 1 784 . 1 1 169 169 LEU N N 15 112.160 0.2 . 1 . . . . 169 L N . 16598 1 785 . 1 1 170 170 THR H H 1 7.930 0.05 . 1 . . . . 170 T HN . 16598 1 786 . 1 1 170 170 THR C C 13 174.760 0.2 . 1 . . . . 170 T C . 16598 1 787 . 1 1 170 170 THR CA C 13 60.980 0.2 . 1 . . . . 170 T CA . 16598 1 788 . 1 1 170 170 THR CB C 13 72.150 0.2 . 1 . . . . 170 T CB . 16598 1 789 . 1 1 170 170 THR N N 15 106.411 0.2 . 1 . . . . 170 T N . 16598 1 790 . 1 1 171 171 GLY H H 1 8.040 0.05 . 1 . . . . 171 G HN . 16598 1 791 . 1 1 171 171 GLY C C 13 174.170 0.2 . 1 . . . . 171 G C . 16598 1 792 . 1 1 171 171 GLY CA C 13 45.320 0.2 . 1 . . . . 171 G CA . 16598 1 793 . 1 1 171 171 GLY N N 15 109.750 0.2 . 1 . . . . 171 G N . 16598 1 794 . 1 1 172 172 GLU H H 1 8.390 0.05 . 1 . . . . 172 E HN . 16598 1 795 . 1 1 172 172 GLU C C 13 176.390 0.2 . 1 . . . . 172 E C . 16598 1 796 . 1 1 172 172 GLU CA C 13 56.110 0.2 . 1 . . . . 172 E CA . 16598 1 797 . 1 1 172 172 GLU CB C 13 29.630 0.2 . 1 . . . . 172 E CB . 16598 1 798 . 1 1 172 172 GLU N N 15 117.630 0.2 . 1 . . . . 172 E N . 16598 1 799 . 1 1 173 173 LEU H H 1 7.420 0.05 . 1 . . . . 173 L HN . 16598 1 800 . 1 1 173 173 LEU C C 13 177.050 0.2 . 1 . . . . 173 L C . 16598 1 801 . 1 1 173 173 LEU CA C 13 57.800 0.2 . 1 . . . . 173 L CA . 16598 1 802 . 1 1 173 173 LEU CB C 13 43.120 0.2 . 1 . . . . 173 L CB . 16598 1 803 . 1 1 173 173 LEU N N 15 121.120 0.2 . 1 . . . . 173 L N . 16598 1 804 . 1 1 174 174 LEU H H 1 8.620 0.05 . 1 . . . . 174 L HN . 16598 1 805 . 1 1 174 174 LEU C C 13 177.510 0.2 . 1 . . . . 174 L C . 16598 1 806 . 1 1 174 174 LEU CA C 13 52.610 0.2 . 1 . . . . 174 L CA . 16598 1 807 . 1 1 174 174 LEU CB C 13 44.550 0.2 . 1 . . . . 174 L CB . 16598 1 808 . 1 1 174 174 LEU N N 15 117.980 0.2 . 1 . . . . 174 L N . 16598 1 809 . 1 1 175 175 THR H H 1 9.030 0.05 . 1 . . . . 175 T HN . 16598 1 810 . 1 1 175 175 THR C C 13 175.310 0.2 . 1 . . . . 175 T C . 16598 1 811 . 1 1 175 175 THR CA C 13 62.090 0.2 . 1 . . . . 175 T CA . 16598 1 812 . 1 1 175 175 THR CB C 13 71.700 0.2 . 1 . . . . 175 T CB . 16598 1 813 . 1 1 175 175 THR N N 15 112.640 0.2 . 1 . . . . 175 T N . 16598 1 814 . 1 1 176 176 LEU H H 1 8.660 0.05 . 1 . . . . 176 L HN . 16598 1 815 . 1 1 176 176 LEU C C 13 179.110 0.2 . 1 . . . . 176 L C . 16598 1 816 . 1 1 176 176 LEU CA C 13 58.910 0.2 . 1 . . . . 176 L CA . 16598 1 817 . 1 1 176 176 LEU CB C 13 41.550 0.2 . 1 . . . . 176 L CB . 16598 1 818 . 1 1 176 176 LEU N N 15 122.800 0.2 . 1 . . . . 176 L N . 16598 1 819 . 1 1 177 177 ALA H H 1 8.440 0.05 . 1 . . . . 177 A HN . 16598 1 820 . 1 1 177 177 ALA C C 13 181.470 0.2 . 1 . . . . 177 A C . 16598 1 821 . 1 1 177 177 ALA CA C 13 54.980 0.2 . 1 . . . . 177 A CA . 16598 1 822 . 1 1 177 177 ALA CB C 13 18.190 0.2 . 1 . . . . 177 A CB . 16598 1 823 . 1 1 177 177 ALA N N 15 118.630 0.2 . 1 . . . . 177 A N . 16598 1 824 . 1 1 178 178 SER H H 1 7.720 0.05 . 1 . . . . 178 S HN . 16598 1 825 . 1 1 178 178 SER C C 13 175.000 0.2 . 1 . . . . 178 S C . 16598 1 826 . 1 1 178 178 SER CA C 13 62.870 0.2 . 1 . . . . 178 S CA . 16598 1 827 . 1 1 178 178 SER CB C 13 64.300 0.2 . 1 . . . . 178 S CB . 16598 1 828 . 1 1 178 178 SER N N 15 118.420 0.2 . 1 . . . . 178 S N . 16598 1 829 . 1 1 179 179 ARG H H 1 9.090 0.05 . 1 . . . . 179 R HN . 16598 1 830 . 1 1 179 179 ARG C C 13 178.400 0.2 . 1 . . . . 179 R C . 16598 1 831 . 1 1 179 179 ARG CA C 13 60.200 0.2 . 1 . . . . 179 R CA . 16598 1 832 . 1 1 179 179 ARG CB C 13 30.940 0.2 . 1 . . . . 179 R CB . 16598 1 833 . 1 1 179 179 ARG N N 15 123.520 0.2 . 1 . . . . 179 R N . 16598 1 834 . 1 1 180 180 GLN H H 1 8.190 0.05 . 1 . . . . 180 Q HN . 16598 1 835 . 1 1 180 180 GLN C C 13 177.070 0.2 . 1 . . . . 180 Q C . 16598 1 836 . 1 1 180 180 GLN CA C 13 57.580 0.2 . 1 . . . . 180 Q CA . 16598 1 837 . 1 1 180 180 GLN CB C 13 28.390 0.2 . 1 . . . . 180 Q CB . 16598 1 838 . 1 1 180 180 GLN N N 15 117.660 0.2 . 1 . . . . 180 Q N . 16598 1 839 . 1 1 181 181 GLN H H 1 7.560 0.05 . 1 . . . . 181 Q HN . 16598 1 840 . 1 1 181 181 GLN C C 13 177.870 0.2 . 1 . . . . 181 Q C . 16598 1 841 . 1 1 181 181 GLN CA C 13 56.990 0.2 . 1 . . . . 181 Q CA . 16598 1 842 . 1 1 181 181 GLN CB C 13 28.610 0.2 . 1 . . . . 181 Q CB . 16598 1 843 . 1 1 181 181 GLN N N 15 118.010 0.2 . 1 . . . . 181 Q N . 16598 1 844 . 1 1 182 182 LEU H H 1 7.930 0.05 . 1 . . . . 182 L HN . 16598 1 845 . 1 1 182 182 LEU C C 13 178.260 0.2 . 1 . . . . 182 L C . 16598 1 846 . 1 1 182 182 LEU CA C 13 58.240 0.2 . 1 . . . . 182 L CA . 16598 1 847 . 1 1 182 182 LEU CB C 13 41.560 0.2 . 1 . . . . 182 L CB . 16598 1 848 . 1 1 182 182 LEU N N 15 120.940 0.2 . 1 . . . . 182 L N . 16598 1 849 . 1 1 183 183 ILE H H 1 7.800 0.05 . 1 . . . . 183 I HN . 16598 1 850 . 1 1 183 183 ILE C C 13 177.180 0.2 . 1 . . . . 183 I C . 16598 1 851 . 1 1 183 183 ILE CA C 13 65.650 0.2 . 1 . . . . 183 I CA . 16598 1 852 . 1 1 183 183 ILE CB C 13 38.330 0.2 . 1 . . . . 183 I CB . 16598 1 853 . 1 1 183 183 ILE N N 15 118.130 0.2 . 1 . . . . 183 I N . 16598 1 854 . 1 1 184 184 ASP H H 1 8.670 0.05 . 1 . . . . 184 D HN . 16598 1 855 . 1 1 184 184 ASP C C 13 181.370 0.2 . 1 . . . . 184 D C . 16598 1 856 . 1 1 184 184 ASP CA C 13 57.580 0.2 . 1 . . . . 184 D CA . 16598 1 857 . 1 1 184 184 ASP CB C 13 39.980 0.2 . 1 . . . . 184 D CB . 16598 1 858 . 1 1 184 184 ASP N N 15 122.260 0.2 . 1 . . . . 184 D N . 16598 1 859 . 1 1 185 185 TRP H H 1 8.010 0.05 . 1 . . . . 185 W HN . 16598 1 860 . 1 1 185 185 TRP C C 13 177.110 0.2 . 1 . . . . 185 W C . 16598 1 861 . 1 1 185 185 TRP CA C 13 59.630 0.2 . 1 . . . . 185 W CA . 16598 1 862 . 1 1 185 185 TRP CB C 13 28.880 0.2 . 1 . . . . 185 W CB . 16598 1 863 . 1 1 185 185 TRP N N 15 120.290 0.2 . 1 . . . . 185 W N . 16598 1 864 . 1 1 186 186 MET H H 1 7.750 0.05 . 1 . . . . 186 M HN . 16598 1 865 . 1 1 186 186 MET C C 13 180.150 0.2 . 1 . . . . 186 M C . 16598 1 866 . 1 1 186 186 MET CA C 13 59.590 0.2 . 1 . . . . 186 M CA . 16598 1 867 . 1 1 186 186 MET CB C 13 35.690 0.2 . 1 . . . . 186 M CB . 16598 1 868 . 1 1 186 186 MET N N 15 115.840 0.2 . 1 . . . . 186 M N . 16598 1 869 . 1 1 187 187 GLU H H 1 9.650 0.05 . 1 . . . . 187 E HN . 16598 1 870 . 1 1 187 187 GLU C C 13 178.150 0.2 . 1 . . . . 187 E C . 16598 1 871 . 1 1 187 187 GLU CA C 13 59.710 0.2 . 1 . . . . 187 E CA . 16598 1 872 . 1 1 187 187 GLU CB C 13 31.790 0.2 . 1 . . . . 187 E CB . 16598 1 873 . 1 1 187 187 GLU N N 15 124.690 0.2 . 1 . . . . 187 E N . 16598 1 874 . 1 1 188 188 ALA H H 1 7.310 0.05 . 1 . . . . 188 A HN . 16598 1 875 . 1 1 188 188 ALA CA C 13 51.760 0.2 . 1 . . . . 188 A CA . 16598 1 876 . 1 1 188 188 ALA CB C 13 19.145 0.2 . 1 . . . . 188 A CB . 16598 1 877 . 1 1 188 188 ALA N N 15 119.520 0.2 . 1 . . . . 188 A N . 16598 1 878 . 1 1 190 190 LYS H H 1 9.522 0.05 . 1 . . . . 190 K HN . 16598 1 879 . 1 1 190 190 LYS CA C 13 56.982 0.2 . 1 . . . . 190 K CA . 16598 1 880 . 1 1 190 190 LYS N N 15 127.500 0.2 . 1 . . . . 190 K N . 16598 1 881 . 1 1 196 196 LEU C C 13 177.730 0.2 . 1 . . . . 196 L C . 16598 1 882 . 1 1 197 197 ARG H H 1 8.610 0.05 . 1 . . . . 197 R HN . 16598 1 883 . 1 1 197 197 ARG C C 13 177.430 0.2 . 1 . . . . 197 R C . 16598 1 884 . 1 1 197 197 ARG CA C 13 59.810 0.2 . 1 . . . . 197 R CA . 16598 1 885 . 1 1 197 197 ARG CB C 13 29.255 0.2 . 1 . . . . 197 R CB . 16598 1 886 . 1 1 197 197 ARG N N 15 118.220 0.2 . 1 . . . . 197 R N . 16598 1 887 . 1 1 198 198 SER H H 1 7.010 0.05 . 1 . . . . 198 S HN . 16598 1 888 . 1 1 198 198 SER C C 13 174.010 0.2 . 1 . . . . 198 S C . 16598 1 889 . 1 1 198 198 SER CA C 13 60.980 0.2 . 1 . . . . 198 S CA . 16598 1 890 . 1 1 198 198 SER CB C 13 63.350 0.2 . 1 . . . . 198 S CB . 16598 1 891 . 1 1 198 198 SER N N 15 113.340 0.2 . 1 . . . . 198 S N . 16598 1 892 . 1 1 199 199 ALA H H 1 7.260 0.05 . 1 . . . . 199 A HN . 16598 1 893 . 1 1 199 199 ALA C C 13 176.270 0.2 . 1 . . . . 199 A C . 16598 1 894 . 1 1 199 199 ALA CA C 13 50.660 0.2 . 1 . . . . 199 A CA . 16598 1 895 . 1 1 199 199 ALA CB C 13 19.640 0.2 . 1 . . . . 199 A CB . 16598 1 896 . 1 1 199 199 ALA N N 15 122.880 0.2 . 1 . . . . 199 A N . 16598 1 897 . 1 1 200 200 LEU H H 1 6.690 0.05 . 1 . . . . 200 L HN . 16598 1 898 . 1 1 200 200 LEU CA C 13 53.020 0.2 . 1 . . . . 200 L CA . 16598 1 899 . 1 1 200 200 LEU CB C 13 43.970 0.2 . 1 . . . . 200 L CB . 16598 1 900 . 1 1 200 200 LEU N N 15 120.900 0.2 . 1 . . . . 200 L N . 16598 1 901 . 1 1 201 201 PRO C C 13 175.800 0.2 . 1 . . . . 201 P C . 16598 1 902 . 1 1 201 201 PRO CA C 13 61.477 0.2 . 1 . . . . 201 P CA . 16598 1 903 . 1 1 201 201 PRO CB C 13 31.965 0.2 . 1 . . . . 201 P CB . 16598 1 904 . 1 1 202 202 ALA H H 1 8.220 0.05 . 1 . . . . 202 A HN . 16598 1 905 . 1 1 202 202 ALA C C 13 179.410 0.2 . 1 . . . . 202 A C . 16598 1 906 . 1 1 202 202 ALA CA C 13 53.450 0.2 . 1 . . . . 202 A CA . 16598 1 907 . 1 1 202 202 ALA CB C 13 18.300 0.2 . 1 . . . . 202 A CB . 16598 1 908 . 1 1 202 202 ALA N N 15 122.780 0.2 . 1 . . . . 202 A N . 16598 1 909 . 1 1 203 203 GLY H H 1 8.800 0.05 . 1 . . . . 203 G HN . 16598 1 910 . 1 1 203 203 GLY C C 13 175.330 0.2 . 1 . . . . 203 G C . 16598 1 911 . 1 1 203 203 GLY CA C 13 45.410 0.2 . 1 . . . . 203 G CA . 16598 1 912 . 1 1 203 203 GLY N N 15 110.190 0.2 . 1 . . . . 203 G N . 16598 1 913 . 1 1 204 204 TRP H H 1 7.620 0.05 . 1 . . . . 204 W HN . 16598 1 914 . 1 1 204 204 TRP C C 13 175.320 0.2 . 1 . . . . 204 W C . 16598 1 915 . 1 1 204 204 TRP CA C 13 59.060 0.2 . 1 . . . . 204 W CA . 16598 1 916 . 1 1 204 204 TRP CB C 13 28.900 0.2 . 1 . . . . 204 W CB . 16598 1 917 . 1 1 204 204 TRP N N 15 120.580 0.2 . 1 . . . . 204 W N . 16598 1 918 . 1 1 205 205 PHE H H 1 9.370 0.05 . 1 . . . . 205 F HN . 16598 1 919 . 1 1 205 205 PHE C C 13 174.700 0.2 . 1 . . . . 205 F C . 16598 1 920 . 1 1 205 205 PHE CA C 13 56.850 0.2 . 1 . . . . 205 F CA . 16598 1 921 . 1 1 205 205 PHE CB C 13 42.260 0.2 . 1 . . . . 205 F CB . 16598 1 922 . 1 1 205 205 PHE N N 15 122.970 0.2 . 1 . . . . 205 F N . 16598 1 923 . 1 1 206 206 ILE H H 1 7.500 0.05 . 1 . . . . 206 I HN . 16598 1 924 . 1 1 206 206 ILE C C 13 169.523 0.2 . 1 . . . . 206 I C . 16598 1 925 . 1 1 206 206 ILE CA C 13 60.460 0.2 . 1 . . . . 206 I CA . 16598 1 926 . 1 1 206 206 ILE CB C 13 40.190 0.2 . 1 . . . . 206 I CB . 16598 1 927 . 1 1 206 206 ILE N N 15 123.470 0.2 . 1 . . . . 206 I N . 16598 1 928 . 1 1 207 207 ALA H H 1 8.460 0.05 . 1 . . . . 207 A HN . 16598 1 929 . 1 1 207 207 ALA C C 13 174.890 0.2 . 1 . . . . 207 A C . 16598 1 930 . 1 1 207 207 ALA CA C 13 50.640 0.2 . 1 . . . . 207 A CA . 16598 1 931 . 1 1 207 207 ALA CB C 13 21.570 0.2 . 1 . . . . 207 A CB . 16598 1 932 . 1 1 207 207 ALA N N 15 127.980 0.2 . 1 . . . . 207 A N . 16598 1 933 . 1 1 208 208 ASP H H 1 8.230 0.05 . 1 . . . . 208 D HN . 16598 1 934 . 1 1 208 208 ASP CA C 13 53.000 0.2 . 1 . . . . 208 D CA . 16598 1 935 . 1 1 208 208 ASP CB C 13 45.230 0.2 . 1 . . . . 208 D CB . 16598 1 936 . 1 1 208 208 ASP N N 15 123.840 0.2 . 1 . . . . 208 D N . 16598 1 937 . 1 1 218 218 ARG C C 13 174.278 0.2 . 1 . . . . 218 R C . 16598 1 938 . 1 1 218 218 ARG CA C 13 53.652 0.2 . 1 . . . . 218 R CA . 16598 1 939 . 1 1 219 219 GLY H H 1 8.421 0.05 . 1 . . . . 219 G HN . 16598 1 940 . 1 1 219 219 GLY C C 13 170.483 0.2 . 1 . . . . 219 G C . 16598 1 941 . 1 1 219 219 GLY CA C 13 46.965 0.2 . 1 . . . . 219 G CA . 16598 1 942 . 1 1 219 219 GLY N N 15 111.554 0.2 . 1 . . . . 219 G N . 16598 1 943 . 1 1 220 220 ILE H H 1 9.040 0.05 . 1 . . . . 220 I HN . 16598 1 944 . 1 1 220 220 ILE C C 13 170.543 0.2 . 1 . . . . 220 I C . 16598 1 945 . 1 1 220 220 ILE CA C 13 59.680 0.2 . 1 . . . . 220 I CA . 16598 1 946 . 1 1 220 220 ILE N N 15 116.970 0.2 . 1 . . . . 220 I N . 16598 1 947 . 1 1 221 221 ILE H H 1 8.120 0.05 . 1 . . . . 221 I HN . 16598 1 948 . 1 1 221 221 ILE C C 13 174.350 0.2 . 1 . . . . 221 I C . 16598 1 949 . 1 1 221 221 ILE CA C 13 58.850 0.2 . 1 . . . . 221 I CA . 16598 1 950 . 1 1 221 221 ILE N N 15 118.430 0.2 . 1 . . . . 221 I N . 16598 1 951 . 1 1 222 222 ALA H H 1 8.970 0.05 . 1 . . . . 222 A HN . 16598 1 952 . 1 1 222 222 ALA C C 13 174.580 0.2 . 1 . . . . 222 A C . 16598 1 953 . 1 1 222 222 ALA CA C 13 51.310 0.2 . 1 . . . . 222 A CA . 16598 1 954 . 1 1 222 222 ALA CB C 13 24.720 0.2 . 1 . . . . 222 A CB . 16598 1 955 . 1 1 222 222 ALA N N 15 123.750 0.2 . 1 . . . . 222 A N . 16598 1 956 . 1 1 223 223 ALA H H 1 9.350 0.05 . 1 . . . . 223 A HN . 16598 1 957 . 1 1 223 223 ALA C C 13 175.580 0.2 . 1 . . . . 223 A C . 16598 1 958 . 1 1 223 223 ALA CA C 13 50.340 0.2 . 1 . . . . 223 A CA . 16598 1 959 . 1 1 223 223 ALA CB C 13 20.650 0.2 . 1 . . . . 223 A CB . 16598 1 960 . 1 1 223 223 ALA N N 15 122.780 0.2 . 1 . . . . 223 A N . 16598 1 961 . 1 1 224 224 LEU H H 1 9.300 0.05 . 1 . . . . 224 L HN . 16598 1 962 . 1 1 224 224 LEU C C 13 176.730 0.2 . 1 . . . . 224 L C . 16598 1 963 . 1 1 224 224 LEU CA C 13 55.110 0.2 . 1 . . . . 224 L CA . 16598 1 964 . 1 1 224 224 LEU CB C 13 46.620 0.2 . 1 . . . . 224 L CB . 16598 1 965 . 1 1 224 224 LEU N N 15 121.120 0.2 . 1 . . . . 224 L N . 16598 1 966 . 1 1 225 225 GLY H H 1 8.790 0.05 . 1 . . . . 225 G HN . 16598 1 967 . 1 1 225 225 GLY CA C 13 46.860 0.2 . 1 . . . . 225 G CA . 16598 1 968 . 1 1 225 225 GLY N N 15 110.460 0.2 . 1 . . . . 225 G N . 16598 1 969 . 1 1 226 226 PRO C C 13 176.010 0.2 . 1 . . . . 226 P C . 16598 1 970 . 1 1 226 226 PRO CA C 13 60.767 0.2 . 1 . . . . 226 P CA . 16598 1 971 . 1 1 226 226 PRO CB C 13 31.685 0.2 . 1 . . . . 226 P CB . 16598 1 972 . 1 1 227 227 ASP H H 1 7.920 0.05 . 1 . . . . 227 D HN . 16598 1 973 . 1 1 227 227 ASP C C 13 177.130 0.2 . 1 . . . . 227 D C . 16598 1 974 . 1 1 227 227 ASP CA C 13 54.950 0.2 . 1 . . . . 227 D CA . 16598 1 975 . 1 1 227 227 ASP CB C 13 39.330 0.2 . 1 . . . . 227 D CB . 16598 1 976 . 1 1 227 227 ASP N N 15 114.290 0.2 . 1 . . . . 227 D N . 16598 1 977 . 1 1 228 228 GLY H H 1 7.720 0.05 . 1 . . . . 228 G HN . 16598 1 978 . 1 1 228 228 GLY C C 13 173.400 0.2 . 1 . . . . 228 G C . 16598 1 979 . 1 1 228 228 GLY CA C 13 46.860 0.2 . 1 . . . . 228 G CA . 16598 1 980 . 1 1 228 228 GLY N N 15 100.251 0.2 . 1 . . . . 228 G N . 16598 1 981 . 1 1 229 229 LYS H H 1 7.170 0.05 . 1 . . . . 229 K HN . 16598 1 982 . 1 1 229 229 LYS CA C 13 52.300 0.2 . 1 . . . . 229 K CA . 16598 1 983 . 1 1 229 229 LYS CB C 13 34.630 0.2 . 1 . . . . 229 K CB . 16598 1 984 . 1 1 229 229 LYS N N 15 119.340 0.2 . 1 . . . . 229 K N . 16598 1 985 . 1 1 230 230 PRO C C 13 176.060 0.2 . 1 . . . . 230 P C . 16598 1 986 . 1 1 230 230 PRO CA C 13 62.098 0.2 . 1 . . . . 230 P CA . 16598 1 987 . 1 1 231 231 SER H H 1 8.520 0.05 . 1 . . . . 231 S HN . 16598 1 988 . 1 1 231 231 SER C C 13 174.520 0.2 . 1 . . . . 231 S C . 16598 1 989 . 1 1 231 231 SER CA C 13 58.990 0.2 . 1 . . . . 231 S CA . 16598 1 990 . 1 1 231 231 SER CB C 13 65.750 0.2 . 1 . . . . 231 S CB . 16598 1 991 . 1 1 231 231 SER N N 15 112.310 0.2 . 1 . . . . 231 S N . 16598 1 992 . 1 1 232 232 ARG H H 1 8.820 0.05 . 1 . . . . 232 R HN . 16598 1 993 . 1 1 232 232 ARG C C 13 174.500 0.2 . 1 . . . . 232 R C . 16598 1 994 . 1 1 232 232 ARG CA C 13 55.840 0.2 . 1 . . . . 232 R CA . 16598 1 995 . 1 1 232 232 ARG CB C 13 36.250 0.2 . 1 . . . . 232 R CB . 16598 1 996 . 1 1 232 232 ARG N N 15 123.250 0.2 . 1 . . . . 232 R N . 16598 1 997 . 1 1 233 233 ILE H H 1 9.190 0.05 . 1 . . . . 233 I HN . 16598 1 998 . 1 1 233 233 ILE C C 13 174.580 0.2 . 1 . . . . 233 I C . 16598 1 999 . 1 1 233 233 ILE CA C 13 58.780 0.2 . 1 . . . . 233 I CA . 16598 1 1000 . 1 1 233 233 ILE CB C 13 40.480 0.2 . 1 . . . . 233 I CB . 16598 1 1001 . 1 1 233 233 ILE N N 15 122.670 0.2 . 1 . . . . 233 I N . 16598 1 1002 . 1 1 234 234 VAL H H 1 9.190 0.05 . 1 . . . . 234 V HN . 16598 1 1003 . 1 1 234 234 VAL C C 13 173.340 0.2 . 1 . . . . 234 V C . 16598 1 1004 . 1 1 234 234 VAL CA C 13 59.630 0.2 . 1 . . . . 234 V CA . 16598 1 1005 . 1 1 234 234 VAL CB C 13 36.280 0.2 . 1 . . . . 234 V CB . 16598 1 1006 . 1 1 234 234 VAL N N 15 126.310 0.2 . 1 . . . . 234 V N . 16598 1 1007 . 1 1 235 235 VAL H H 1 8.190 0.05 . 1 . . . . 235 V HN . 16598 1 1008 . 1 1 235 235 VAL C C 13 174.020 0.2 . 1 . . . . 235 V C . 16598 1 1009 . 1 1 235 235 VAL CA C 13 60.380 0.2 . 1 . . . . 235 V CA . 16598 1 1010 . 1 1 235 235 VAL CB C 13 35.810 0.2 . 1 . . . . 235 V CB . 16598 1 1011 . 1 1 235 235 VAL N N 15 125.320 0.2 . 1 . . . . 235 V N . 16598 1 1012 . 1 1 236 236 ILE H H 1 8.240 0.05 . 1 . . . . 236 I HN . 16598 1 1013 . 1 1 236 236 ILE C C 13 174.520 0.2 . 1 . . . . 236 I C . 16598 1 1014 . 1 1 236 236 ILE CA C 13 60.140 0.2 . 1 . . . . 236 I CA . 16598 1 1015 . 1 1 236 236 ILE CB C 13 41.935 0.2 . 1 . . . . 236 I CB . 16598 1 1016 . 1 1 236 236 ILE N N 15 122.560 0.2 . 1 . . . . 236 I N . 16598 1 1017 . 1 1 237 237 TYR H H 1 8.790 0.05 . 1 . . . . 237 Y HN . 16598 1 1018 . 1 1 237 237 TYR C C 13 174.420 0.2 . 1 . . . . 237 Y C . 16598 1 1019 . 1 1 237 237 TYR CA C 13 56.920 0.2 . 1 . . . . 237 Y CA . 16598 1 1020 . 1 1 237 237 TYR CB C 13 44.971 0.2 . 1 . . . . 237 Y CB . 16598 1 1021 . 1 1 237 237 TYR N N 15 122.620 0.2 . 1 . . . . 237 Y N . 16598 1 1022 . 1 1 238 238 THR H H 1 8.930 0.05 . 1 . . . . 238 T HN . 16598 1 1023 . 1 1 238 238 THR CA C 13 59.540 0.2 . 1 . . . . 238 T CA . 16598 1 1024 . 1 1 238 238 THR CB C 13 70.821 0.2 . 1 . . . . 238 T CB . 16598 1 1025 . 1 1 238 238 THR N N 15 110.750 0.2 . 1 . . . . 238 T N . 16598 1 1026 . 1 1 240 240 GLY C C 13 174.480 0.2 . 1 . . . . 240 G C . 16598 1 1027 . 1 1 240 240 GLY CA C 13 45.638 0.2 . 1 . . . . 240 G CA . 16598 1 1028 . 1 1 241 241 SER H H 1 8.360 0.05 . 1 . . . . 241 S HN . 16598 1 1029 . 1 1 241 241 SER C C 13 175.820 0.2 . 1 . . . . 241 S C . 16598 1 1030 . 1 1 241 241 SER CA C 13 58.940 0.2 . 1 . . . . 241 S CA . 16598 1 1031 . 1 1 241 241 SER CB C 13 65.645 0.2 . 1 . . . . 241 S CB . 16598 1 1032 . 1 1 241 241 SER N N 15 114.500 0.2 . 1 . . . . 241 S N . 16598 1 1033 . 1 1 242 242 GLN H H 1 8.830 0.05 . 1 . . . . 242 Q HN . 16598 1 1034 . 1 1 242 242 GLN C C 13 175.910 0.2 . 1 . . . . 242 Q C . 16598 1 1035 . 1 1 242 242 GLN CA C 13 55.740 0.2 . 1 . . . . 242 Q CA . 16598 1 1036 . 1 1 242 242 GLN CB C 13 29.055 0.2 . 1 . . . . 242 Q CB . 16598 1 1037 . 1 1 242 242 GLN N N 15 123.360 0.2 . 1 . . . . 242 Q N . 16598 1 1038 . 1 1 243 243 ALA H H 1 8.650 0.05 . 1 . . . . 243 A HN . 16598 1 1039 . 1 1 243 243 ALA C C 13 178.690 0.2 . 1 . . . . 243 A C . 16598 1 1040 . 1 1 243 243 ALA CA C 13 52.280 0.2 . 1 . . . . 243 A CA . 16598 1 1041 . 1 1 243 243 ALA CB C 13 20.590 0.2 . 1 . . . . 243 A CB . 16598 1 1042 . 1 1 243 243 ALA N N 15 123.320 0.2 . 1 . . . . 243 A N . 16598 1 1043 . 1 1 244 244 THR H H 1 8.650 0.05 . 1 . . . . 244 T HN . 16598 1 1044 . 1 1 244 244 THR CA C 13 61.680 0.2 . 1 . . . . 244 T CA . 16598 1 1045 . 1 1 244 244 THR CB C 13 70.950 0.2 . 1 . . . . 244 T CB . 16598 1 1046 . 1 1 244 244 THR N N 15 112.880 0.2 . 1 . . . . 244 T N . 16598 1 1047 . 1 1 245 245 MET C C 13 177.800 0.2 . 1 . . . . 245 M C . 16598 1 1048 . 1 1 245 245 MET CA C 13 58.037 0.2 . 1 . . . . 245 M CA . 16598 1 1049 . 1 1 245 245 MET CB C 13 30.914 0.2 . 1 . . . . 245 M CB . 16598 1 1050 . 1 1 246 246 ASP H H 1 8.410 0.05 . 1 . . . . 246 D HN . 16598 1 1051 . 1 1 246 246 ASP C C 13 178.690 0.2 . 1 . . . . 246 D C . 16598 1 1052 . 1 1 246 246 ASP CA C 13 57.770 0.2 . 1 . . . . 246 D CA . 16598 1 1053 . 1 1 246 246 ASP CB C 13 40.660 0.2 . 1 . . . . 246 D CB . 16598 1 1054 . 1 1 246 246 ASP N N 15 116.720 0.2 . 1 . . . . 246 D N . 16598 1 1055 . 1 1 247 247 GLU H H 1 7.640 0.05 . 1 . . . . 247 E HN . 16598 1 1056 . 1 1 247 247 GLU C C 13 179.280 0.2 . 1 . . . . 247 E C . 16598 1 1057 . 1 1 247 247 GLU CA C 13 58.940 0.2 . 1 . . . . 247 E CA . 16598 1 1058 . 1 1 247 247 GLU CB C 13 30.090 0.2 . 1 . . . . 247 E CB . 16598 1 1059 . 1 1 247 247 GLU N N 15 120.300 0.2 . 1 . . . . 247 E N . 16598 1 1060 . 1 1 248 248 ARG H H 1 8.090 0.05 . 1 . . . . 248 R HN . 16598 1 1061 . 1 1 248 248 ARG C C 13 177.520 0.2 . 1 . . . . 248 R C . 16598 1 1062 . 1 1 248 248 ARG CA C 13 60.760 0.2 . 1 . . . . 248 R CA . 16598 1 1063 . 1 1 248 248 ARG CB C 13 31.175 0.2 . 1 . . . . 248 R CB . 16598 1 1064 . 1 1 248 248 ARG N N 15 118.730 0.2 . 1 . . . . 248 R N . 16598 1 1065 . 1 1 249 249 ASN H H 1 8.770 0.05 . 1 . . . . 249 N HN . 16598 1 1066 . 1 1 249 249 ASN C C 13 176.530 0.2 . 1 . . . . 249 N C . 16598 1 1067 . 1 1 249 249 ASN CA C 13 55.310 0.2 . 1 . . . . 249 N CA . 16598 1 1068 . 1 1 249 249 ASN CB C 13 37.256 0.2 . 1 . . . . 249 N CB . 16598 1 1069 . 1 1 249 249 ASN N N 15 116.980 0.2 . 1 . . . . 249 N N . 16598 1 1070 . 1 1 250 250 ARG H H 1 8.000 0.05 . 1 . . . . 250 R HN . 16598 1 1071 . 1 1 250 250 ARG C C 13 178.830 0.2 . 1 . . . . 250 R C . 16598 1 1072 . 1 1 250 250 ARG CA C 13 59.320 0.2 . 1 . . . . 250 R CA . 16598 1 1073 . 1 1 250 250 ARG CB C 13 30.120 0.2 . 1 . . . . 250 R CB . 16598 1 1074 . 1 1 250 250 ARG N N 15 118.740 0.2 . 1 . . . . 250 R N . 16598 1 1075 . 1 1 251 251 GLN H H 1 7.790 0.05 . 1 . . . . 251 Q HN . 16598 1 1076 . 1 1 251 251 GLN C C 13 178.480 0.2 . 1 . . . . 251 Q C . 16598 1 1077 . 1 1 251 251 GLN CA C 13 58.330 0.2 . 1 . . . . 251 Q CA . 16598 1 1078 . 1 1 251 251 GLN CB C 13 27.750 0.2 . 1 . . . . 251 Q CB . 16598 1 1079 . 1 1 251 251 GLN N N 15 114.970 0.2 . 1 . . . . 251 Q N . 16598 1 1080 . 1 1 252 252 ILE H H 1 7.430 0.05 . 1 . . . . 252 I HN . 16598 1 1081 . 1 1 252 252 ILE C C 13 175.690 0.2 . 1 . . . . 252 I C . 16598 1 1082 . 1 1 252 252 ILE CA C 13 66.010 0.2 . 1 . . . . 252 I CA . 16598 1 1083 . 1 1 252 252 ILE N N 15 117.580 0.2 . 1 . . . . 252 I N . 16598 1 1084 . 1 1 253 253 ALA H H 1 8.060 0.05 . 1 . . . . 253 A HN . 16598 1 1085 . 1 1 253 253 ALA C C 13 180.420 0.2 . 1 . . . . 253 A C . 16598 1 1086 . 1 1 253 253 ALA CA C 13 55.960 0.2 . 1 . . . . 253 A CA . 16598 1 1087 . 1 1 253 253 ALA CB C 13 17.722 0.2 . 1 . . . . 253 A CB . 16598 1 1088 . 1 1 253 253 ALA N N 15 124.090 0.2 . 1 . . . . 253 A N . 16598 1 1089 . 1 1 254 254 GLU H H 1 8.420 0.05 . 1 . . . . 254 E HN . 16598 1 1090 . 1 1 254 254 GLU C C 13 180.680 0.2 . 1 . . . . 254 E C . 16598 1 1091 . 1 1 254 254 GLU CA C 13 59.660 0.2 . 1 . . . . 254 E CA . 16598 1 1092 . 1 1 254 254 GLU CB C 13 29.810 0.2 . 1 . . . . 254 E CB . 16598 1 1093 . 1 1 254 254 GLU N N 15 118.330 0.2 . 1 . . . . 254 E N . 16598 1 1094 . 1 1 255 255 ILE H H 1 8.030 0.05 . 1 . . . . 255 I HN . 16598 1 1095 . 1 1 255 255 ILE C C 13 178.010 0.2 . 1 . . . . 255 I C . 16598 1 1096 . 1 1 255 255 ILE CA C 13 66.590 0.2 . 1 . . . . 255 I CA . 16598 1 1097 . 1 1 255 255 ILE CB C 13 38.070 0.2 . 1 . . . . 255 I CB . 16598 1 1098 . 1 1 255 255 ILE N N 15 123.340 0.2 . 1 . . . . 255 I N . 16598 1 1099 . 1 1 256 256 GLY H H 1 8.350 0.05 . 1 . . . . 256 G HN . 16598 1 1100 . 1 1 256 256 GLY C C 13 173.960 0.2 . 1 . . . . 256 G C . 16598 1 1101 . 1 1 256 256 GLY CA C 13 47.640 0.2 . 1 . . . . 256 G CA . 16598 1 1102 . 1 1 256 256 GLY N N 15 106.041 0.2 . 1 . . . . 256 G N . 16598 1 1103 . 1 1 257 257 ALA H H 1 8.610 0.05 . 1 . . . . 257 A HN . 16598 1 1104 . 1 1 257 257 ALA C C 13 180.190 0.2 . 1 . . . . 257 A C . 16598 1 1105 . 1 1 257 257 ALA CA C 13 55.210 0.2 . 1 . . . . 257 A CA . 16598 1 1106 . 1 1 257 257 ALA CB C 13 17.820 0.2 . 1 . . . . 257 A CB . 16598 1 1107 . 1 1 257 257 ALA N N 15 122.220 0.2 . 1 . . . . 257 A N . 16598 1 1108 . 1 1 258 258 SER H H 1 7.490 0.05 . 1 . . . . 258 S HN . 16598 1 1109 . 1 1 258 258 SER C C 13 176.260 0.2 . 1 . . . . 258 S C . 16598 1 1110 . 1 1 258 258 SER CA C 13 61.840 0.2 . 1 . . . . 258 S CA . 16598 1 1111 . 1 1 258 258 SER CB C 13 62.940 0.2 . 1 . . . . 258 S CB . 16598 1 1112 . 1 1 258 258 SER N N 15 113.430 0.2 . 1 . . . . 258 S N . 16598 1 1113 . 1 1 259 259 LEU H H 1 8.180 0.05 . 1 . . . . 259 L HN . 16598 1 1114 . 1 1 259 259 LEU C C 13 178.840 0.2 . 1 . . . . 259 L C . 16598 1 1115 . 1 1 259 259 LEU CA C 13 58.110 0.2 . 1 . . . . 259 L CA . 16598 1 1116 . 1 1 259 259 LEU CB C 13 40.920 0.2 . 1 . . . . 259 L CB . 16598 1 1117 . 1 1 259 259 LEU N N 15 122.940 0.2 . 1 . . . . 259 L N . 16598 1 1118 . 1 1 260 260 ILE H H 1 7.930 0.05 . 1 . . . . 260 I HN . 16598 1 1119 . 1 1 260 260 ILE C C 13 178.500 0.2 . 1 . . . . 260 I C . 16598 1 1120 . 1 1 260 260 ILE CA C 13 63.870 0.2 . 1 . . . . 260 I CA . 16598 1 1121 . 1 1 260 260 ILE CB C 13 37.670 0.2 . 1 . . . . 260 I CB . 16598 1 1122 . 1 1 260 260 ILE N N 15 118.150 0.2 . 1 . . . . 260 I N . 16598 1 1123 . 1 1 261 261 LYS H H 1 8.100 0.05 . 1 . . . . 261 K HN . 16598 1 1124 . 1 1 261 261 LYS C C 13 177.920 0.2 . 1 . . . . 261 K C . 16598 1 1125 . 1 1 261 261 LYS CA C 13 59.010 0.2 . 1 . . . . 261 K CA . 16598 1 1126 . 1 1 261 261 LYS CB C 13 32.540 0.2 . 1 . . . . 261 K CB . 16598 1 1127 . 1 1 261 261 LYS N N 15 120.870 0.2 . 1 . . . . 261 K N . 16598 1 1128 . 1 1 262 262 HIS H H 1 7.600 0.05 . 1 . . . . 262 H HN . 16598 1 1129 . 1 1 262 262 HIS C C 13 173.650 0.2 . 1 . . . . 262 H C . 16598 1 1130 . 1 1 262 262 HIS CA C 13 54.840 0.2 . 1 . . . . 262 H CA . 16598 1 1131 . 1 1 262 262 HIS CB C 13 28.010 0.2 . 1 . . . . 262 H CB . 16598 1 1132 . 1 1 262 262 HIS N N 15 114.300 0.2 . 1 . . . . 262 H N . 16598 1 1133 . 1 1 263 263 TRP H H 1 7.230 0.05 . 1 . . . . 263 W HN . 16598 1 1134 . 1 1 263 263 TRP CA C 13 62.380 0.2 . 1 . . . . 263 W CA . 16598 1 1135 . 1 1 263 263 TRP CB C 13 30.450 0.2 . 1 . . . . 263 W CB . 16598 1 1136 . 1 1 263 263 TRP N N 15 128.690 0.2 . 1 . . . . 263 W N . 16598 1 stop_ save_