data_16337 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16337 _Entry.Title ; Backbone resonance assignments for the aminoglycoside phosphotransferase(3')-IIIa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-08 _Entry.Accession_date 2009-06-08 _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 Can Ozen . . . 16337 2 Adrianne Norris . . . 16337 3 Neil Whittemore . . . 16337 4 Carlos Steren . . . 16337 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16337 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 631 16337 '15N chemical shifts' 215 16337 '1H chemical shifts' 217 16337 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 . . 2010-05-20 2009-06-08 update BMRB 'complete entry citation' 16337 1 . . 2009-11-18 2009-06-08 original author 'original release' 16337 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16337 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19898995 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments of a promiscuous aminoglycoside antibiotic resistance enzyme; the aminoglycoside phosphotransferase(3')-IIIa.' _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 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9 _Citation.Page_last 12 _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 Engin Serpersu . H. . 16337 1 2 Can Ozen . . . 16337 1 3 Adrianne Norris . L. . 16337 1 4 Carlos Steren . . . 16337 1 5 Neil Whittemore . . . 16337 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 16337 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16337 _Assembly.ID 1 _Assembly.Name 'Complex of APH with antibiotic tobramycin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.1.95 _Assembly.Details 'The binary APH-tobramycin complex' _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 enzyme 1 $APH-tobramycin A . yes native no no 1 'the whole enzyme' . 16337 1 2 tobramycin 2 $TOY B . no native no no . . . 16337 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APH-tobramycin _Entity.Sf_category entity _Entity.Sf_framecode APH-tobramycin _Entity.Entry_ID 16337 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name APH-tobramycin _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 ; MAKMRISPELKKLIEKYRCV KDTEGMSPAKVYKLVGENEN LYLKMTDSRYKGTTYDVERE KDMMLWLEGKLPVPKVLHFE RHDGWSNLLMSEADGVLCSE EYEDEQSPEKIIELYAECIR LFHSIDISDCPYTNSLDSRL AELDYLLNNDLADVDCENWE EDTPFKDPRELYDFLKTEKP EEELVFSHGDLGDSNIFVKD GKVSGFIDLGRSGRADKWYD IAFCVRSIREDIGEEQYVEL FFDLLGIKPDWEKIKYYILL DELF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID TOY _Entity.Nonpolymer_comp_label $chem_comp_TOY _Entity.Number_of_monomers 264 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.1.95 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 30.974 _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 1J7I . ; Crystal Structure Of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Apoenzyme ; . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 2 no PDB 1J7L . ; Crystal Structure Of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Adp Complex ; . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 3 no PDB 1J7U . ; Crystal Structure Of 3',5"-aminoglycoside Phosphotransferase Type Iiia Amppnp Complex ; . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 4 no PDB 1L8T . ; Crystal Structure Of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Adp Kanamycin A Complex ; . . . . . 99.62 263 100.00 100.00 0.00e+00 . . . . 16337 1 5 no PDB 2B0Q . ; Crystal Structure Of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Adp Neomycin B Complex ; . . . . . 99.62 263 100.00 100.00 0.00e+00 . . . . 16337 1 6 no PDB 2BKK . "Crystal Structure Of Aminoglycoside Phosphotransferase Aph (3')-Iiia In Complex With The Inhibitor Ar_3a" . . . . . 100.00 264 99.24 99.24 0.00e+00 . . . . 16337 1 7 no PDB 3Q2J . ; Crystal Structure Of 3',5"-aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex ; . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 8 no PDB 3TM0 . ; Crystal Structure Of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Amppnp Butirosin A Complex ; . . . . . 99.62 263 100.00 100.00 0.00e+00 . . . . 16337 1 9 no DBJ BAE98117 . "aminoglycoside phosphotransferase [Enterococcus faecalis]" . . . . . 100.00 264 97.35 98.11 0.00e+00 . . . . 16337 1 10 no DBJ BAF75368 . "neomycin phosphotransferase II [Shuttle vector pSU7]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 11 no DBJ BAF75370 . "neomycin phosphotransferase II [Shuttle vector pSU23]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 12 no DBJ BAF82029 . "aminoglycoside phosphotransferase [Staphylococcus aureus]" . . . . . 98.86 261 100.00 100.00 0.00e+00 . . . . 16337 1 13 no DBJ BAG12997 . "aminoglycoside phosphotransferase [Binary vector pUB-GW-GFP]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 14 no EMBL CAA04791 . "aminoglycoside phosphotransferase [synthetic construct]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 15 no EMBL CAA24789 . "unnamed protein product [Enterococcus faecalis]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 16 no EMBL CAA67773 . "aph3 [Escherichia coli]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 17 no EMBL CAA85747 . "3'5''-aminoglycoside phosphotransferase [synthetic construct]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 18 no EMBL CAC29201 . "aminoglycoside phosphotransferase type III [Enterococcus faecalis]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 19 no GB AAA26596 . "aminocyclitol-3'-phosphotransferase [Staphylococcus aureus]" . . . . . 100.00 263 98.48 98.86 0.00e+00 . . . . 16337 1 20 no GB AAA98050 . "kanamycin resistance protein [Plasmid pIP1433]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 21 no GB AAA98979 . "3'5''-aminoglycoside phosphotransferase [synthetic construct]" . . . . . 98.86 261 100.00 100.00 0.00e+00 . . . . 16337 1 22 no GB AAB07765 . "3'5'-aminoglycoside phosphotransferase [Staphylococcus aureus]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 23 no GB AAC16050 . "aminoglycoside phosphotransferase A3 [Tn917 delivery vector pAJ005]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 24 no PIR I40613 . "kanamycin resistance protein - Campylobacter coli plasmid pIP1433" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 25 no PRF 1202264A . phosphotransferase,aminoglycoside . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 26 no REF WP_001096887 . "MULTISPECIES: aminoglycoside 3'-phosphotransferase [Bacteria]" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 27 no REF WP_001637127 . "aminoglycoside phosphotransferase APH(3') [Staphylococcus aureus]" . . . . . 100.00 264 99.62 99.62 0.00e+00 . . . . 16337 1 28 no REF WP_002360696 . "MULTISPECIES: aminoglycoside phosphotransferase APH(3') [Bacteria]" . . . . . 98.86 261 100.00 100.00 0.00e+00 . . . . 16337 1 29 no REF WP_002409341 . "aminoglycoside phosphotransferase APH(3'), partial [Enterococcus faecalis]" . . . . . 85.61 226 100.00 100.00 6.99e-161 . . . . 16337 1 30 no REF WP_002418579 . "MULTISPECIES: aminoglycoside phosphotransferase APH(3'), partial [Bacilli]" . . . . . 82.20 217 100.00 100.00 3.34e-154 . . . . 16337 1 31 no SP P0A3Y5 . "RecName: Full=Aminoglycoside 3'-phosphotransferase; AltName: Full=APH(3')III; AltName: Full=Kanamycin kinase, type III; AltName" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 16337 1 32 no SP P0A3Y6 . "RecName: Full=Aminoglycoside 3'-phosphotransferase; AltName: Full=APH(3')III; AltName: Full=Kanamycin kinase, type III; AltName" . . . . . 100.00 263 98.48 98.86 0.00e+00 . . . . 16337 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Antibiotic resistance by phosphorylation of aminoglycoside antibiotics' 16337 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16337 1 2 . ALA . 16337 1 3 . LYS . 16337 1 4 . MET . 16337 1 5 . ARG . 16337 1 6 . ILE . 16337 1 7 . SER . 16337 1 8 . PRO . 16337 1 9 . GLU . 16337 1 10 . LEU . 16337 1 11 . LYS . 16337 1 12 . LYS . 16337 1 13 . LEU . 16337 1 14 . ILE . 16337 1 15 . GLU . 16337 1 16 . LYS . 16337 1 17 . TYR . 16337 1 18 . ARG . 16337 1 19 . CYS . 16337 1 20 . VAL . 16337 1 21 . LYS . 16337 1 22 . ASP . 16337 1 23 . THR . 16337 1 24 . GLU . 16337 1 25 . GLY . 16337 1 26 . MET . 16337 1 27 . SER . 16337 1 28 . PRO . 16337 1 29 . ALA . 16337 1 30 . LYS . 16337 1 31 . VAL . 16337 1 32 . TYR . 16337 1 33 . LYS . 16337 1 34 . LEU . 16337 1 35 . VAL . 16337 1 36 . GLY . 16337 1 37 . GLU . 16337 1 38 . ASN . 16337 1 39 . GLU . 16337 1 40 . ASN . 16337 1 41 . LEU . 16337 1 42 . TYR . 16337 1 43 . LEU . 16337 1 44 . LYS . 16337 1 45 . MET . 16337 1 46 . THR . 16337 1 47 . ASP . 16337 1 48 . SER . 16337 1 49 . ARG . 16337 1 50 . TYR . 16337 1 51 . LYS . 16337 1 52 . GLY . 16337 1 53 . THR . 16337 1 54 . THR . 16337 1 55 . TYR . 16337 1 56 . ASP . 16337 1 57 . VAL . 16337 1 58 . GLU . 16337 1 59 . ARG . 16337 1 60 . GLU . 16337 1 61 . LYS . 16337 1 62 . ASP . 16337 1 63 . MET . 16337 1 64 . MET . 16337 1 65 . LEU . 16337 1 66 . TRP . 16337 1 67 . LEU . 16337 1 68 . GLU . 16337 1 69 . GLY . 16337 1 70 . LYS . 16337 1 71 . LEU . 16337 1 72 . PRO . 16337 1 73 . VAL . 16337 1 74 . PRO . 16337 1 75 . LYS . 16337 1 76 . VAL . 16337 1 77 . LEU . 16337 1 78 . HIS . 16337 1 79 . PHE . 16337 1 80 . GLU . 16337 1 81 . ARG . 16337 1 82 . HIS . 16337 1 83 . ASP . 16337 1 84 . GLY . 16337 1 85 . TRP . 16337 1 86 . SER . 16337 1 87 . ASN . 16337 1 88 . LEU . 16337 1 89 . LEU . 16337 1 90 . MET . 16337 1 91 . SER . 16337 1 92 . GLU . 16337 1 93 . ALA . 16337 1 94 . ASP . 16337 1 95 . GLY . 16337 1 96 . VAL . 16337 1 97 . LEU . 16337 1 98 . CYS . 16337 1 99 . SER . 16337 1 100 . GLU . 16337 1 101 . GLU . 16337 1 102 . TYR . 16337 1 103 . GLU . 16337 1 104 . ASP . 16337 1 105 . GLU . 16337 1 106 . GLN . 16337 1 107 . SER . 16337 1 108 . PRO . 16337 1 109 . GLU . 16337 1 110 . LYS . 16337 1 111 . ILE . 16337 1 112 . ILE . 16337 1 113 . GLU . 16337 1 114 . LEU . 16337 1 115 . TYR . 16337 1 116 . ALA . 16337 1 117 . GLU . 16337 1 118 . CYS . 16337 1 119 . ILE . 16337 1 120 . ARG . 16337 1 121 . LEU . 16337 1 122 . PHE . 16337 1 123 . HIS . 16337 1 124 . SER . 16337 1 125 . ILE . 16337 1 126 . ASP . 16337 1 127 . ILE . 16337 1 128 . SER . 16337 1 129 . ASP . 16337 1 130 . CYS . 16337 1 131 . PRO . 16337 1 132 . TYR . 16337 1 133 . THR . 16337 1 134 . ASN . 16337 1 135 . SER . 16337 1 136 . LEU . 16337 1 137 . ASP . 16337 1 138 . SER . 16337 1 139 . ARG . 16337 1 140 . LEU . 16337 1 141 . ALA . 16337 1 142 . GLU . 16337 1 143 . LEU . 16337 1 144 . ASP . 16337 1 145 . TYR . 16337 1 146 . LEU . 16337 1 147 . LEU . 16337 1 148 . ASN . 16337 1 149 . ASN . 16337 1 150 . ASP . 16337 1 151 . LEU . 16337 1 152 . ALA . 16337 1 153 . ASP . 16337 1 154 . VAL . 16337 1 155 . ASP . 16337 1 156 . CYS . 16337 1 157 . GLU . 16337 1 158 . ASN . 16337 1 159 . TRP . 16337 1 160 . GLU . 16337 1 161 . GLU . 16337 1 162 . ASP . 16337 1 163 . THR . 16337 1 164 . PRO . 16337 1 165 . PHE . 16337 1 166 . LYS . 16337 1 167 . ASP . 16337 1 168 . PRO . 16337 1 169 . ARG . 16337 1 170 . GLU . 16337 1 171 . LEU . 16337 1 172 . TYR . 16337 1 173 . ASP . 16337 1 174 . PHE . 16337 1 175 . LEU . 16337 1 176 . LYS . 16337 1 177 . THR . 16337 1 178 . GLU . 16337 1 179 . LYS . 16337 1 180 . PRO . 16337 1 181 . GLU . 16337 1 182 . GLU . 16337 1 183 . GLU . 16337 1 184 . LEU . 16337 1 185 . VAL . 16337 1 186 . PHE . 16337 1 187 . SER . 16337 1 188 . HIS . 16337 1 189 . GLY . 16337 1 190 . ASP . 16337 1 191 . LEU . 16337 1 192 . GLY . 16337 1 193 . ASP . 16337 1 194 . SER . 16337 1 195 . ASN . 16337 1 196 . ILE . 16337 1 197 . PHE . 16337 1 198 . VAL . 16337 1 199 . LYS . 16337 1 200 . ASP . 16337 1 201 . GLY . 16337 1 202 . LYS . 16337 1 203 . VAL . 16337 1 204 . SER . 16337 1 205 . GLY . 16337 1 206 . PHE . 16337 1 207 . ILE . 16337 1 208 . ASP . 16337 1 209 . LEU . 16337 1 210 . GLY . 16337 1 211 . ARG . 16337 1 212 . SER . 16337 1 213 . GLY . 16337 1 214 . ARG . 16337 1 215 . ALA . 16337 1 216 . ASP . 16337 1 217 . LYS . 16337 1 218 . TRP . 16337 1 219 . TYR . 16337 1 220 . ASP . 16337 1 221 . ILE . 16337 1 222 . ALA . 16337 1 223 . PHE . 16337 1 224 . CYS . 16337 1 225 . VAL . 16337 1 226 . ARG . 16337 1 227 . SER . 16337 1 228 . ILE . 16337 1 229 . ARG . 16337 1 230 . GLU . 16337 1 231 . ASP . 16337 1 232 . ILE . 16337 1 233 . GLY . 16337 1 234 . GLU . 16337 1 235 . GLU . 16337 1 236 . GLN . 16337 1 237 . TYR . 16337 1 238 . VAL . 16337 1 239 . GLU . 16337 1 240 . LEU . 16337 1 241 . PHE . 16337 1 242 . PHE . 16337 1 243 . ASP . 16337 1 244 . LEU . 16337 1 245 . LEU . 16337 1 246 . GLY . 16337 1 247 . ILE . 16337 1 248 . LYS . 16337 1 249 . PRO . 16337 1 250 . ASP . 16337 1 251 . TRP . 16337 1 252 . GLU . 16337 1 253 . LYS . 16337 1 254 . ILE . 16337 1 255 . LYS . 16337 1 256 . TYR . 16337 1 257 . TYR . 16337 1 258 . ILE . 16337 1 259 . LEU . 16337 1 260 . LEU . 16337 1 261 . ASP . 16337 1 262 . GLU . 16337 1 263 . LEU . 16337 1 264 . PHE . 16337 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16337 1 . ALA 2 2 16337 1 . LYS 3 3 16337 1 . MET 4 4 16337 1 . ARG 5 5 16337 1 . ILE 6 6 16337 1 . SER 7 7 16337 1 . PRO 8 8 16337 1 . GLU 9 9 16337 1 . LEU 10 10 16337 1 . LYS 11 11 16337 1 . LYS 12 12 16337 1 . LEU 13 13 16337 1 . ILE 14 14 16337 1 . GLU 15 15 16337 1 . LYS 16 16 16337 1 . TYR 17 17 16337 1 . ARG 18 18 16337 1 . CYS 19 19 16337 1 . VAL 20 20 16337 1 . LYS 21 21 16337 1 . ASP 22 22 16337 1 . THR 23 23 16337 1 . GLU 24 24 16337 1 . GLY 25 25 16337 1 . MET 26 26 16337 1 . SER 27 27 16337 1 . PRO 28 28 16337 1 . ALA 29 29 16337 1 . LYS 30 30 16337 1 . VAL 31 31 16337 1 . TYR 32 32 16337 1 . LYS 33 33 16337 1 . LEU 34 34 16337 1 . VAL 35 35 16337 1 . GLY 36 36 16337 1 . GLU 37 37 16337 1 . ASN 38 38 16337 1 . GLU 39 39 16337 1 . ASN 40 40 16337 1 . LEU 41 41 16337 1 . TYR 42 42 16337 1 . LEU 43 43 16337 1 . LYS 44 44 16337 1 . MET 45 45 16337 1 . THR 46 46 16337 1 . ASP 47 47 16337 1 . SER 48 48 16337 1 . ARG 49 49 16337 1 . TYR 50 50 16337 1 . LYS 51 51 16337 1 . GLY 52 52 16337 1 . THR 53 53 16337 1 . THR 54 54 16337 1 . TYR 55 55 16337 1 . ASP 56 56 16337 1 . VAL 57 57 16337 1 . GLU 58 58 16337 1 . ARG 59 59 16337 1 . GLU 60 60 16337 1 . LYS 61 61 16337 1 . ASP 62 62 16337 1 . MET 63 63 16337 1 . MET 64 64 16337 1 . LEU 65 65 16337 1 . TRP 66 66 16337 1 . LEU 67 67 16337 1 . GLU 68 68 16337 1 . GLY 69 69 16337 1 . LYS 70 70 16337 1 . LEU 71 71 16337 1 . PRO 72 72 16337 1 . VAL 73 73 16337 1 . PRO 74 74 16337 1 . LYS 75 75 16337 1 . VAL 76 76 16337 1 . LEU 77 77 16337 1 . HIS 78 78 16337 1 . PHE 79 79 16337 1 . GLU 80 80 16337 1 . ARG 81 81 16337 1 . HIS 82 82 16337 1 . ASP 83 83 16337 1 . GLY 84 84 16337 1 . TRP 85 85 16337 1 . SER 86 86 16337 1 . ASN 87 87 16337 1 . LEU 88 88 16337 1 . LEU 89 89 16337 1 . MET 90 90 16337 1 . SER 91 91 16337 1 . GLU 92 92 16337 1 . ALA 93 93 16337 1 . ASP 94 94 16337 1 . GLY 95 95 16337 1 . VAL 96 96 16337 1 . LEU 97 97 16337 1 . CYS 98 98 16337 1 . SER 99 99 16337 1 . GLU 100 100 16337 1 . GLU 101 101 16337 1 . TYR 102 102 16337 1 . GLU 103 103 16337 1 . ASP 104 104 16337 1 . GLU 105 105 16337 1 . GLN 106 106 16337 1 . SER 107 107 16337 1 . PRO 108 108 16337 1 . GLU 109 109 16337 1 . LYS 110 110 16337 1 . ILE 111 111 16337 1 . ILE 112 112 16337 1 . GLU 113 113 16337 1 . LEU 114 114 16337 1 . TYR 115 115 16337 1 . ALA 116 116 16337 1 . GLU 117 117 16337 1 . CYS 118 118 16337 1 . ILE 119 119 16337 1 . ARG 120 120 16337 1 . LEU 121 121 16337 1 . PHE 122 122 16337 1 . HIS 123 123 16337 1 . SER 124 124 16337 1 . ILE 125 125 16337 1 . ASP 126 126 16337 1 . ILE 127 127 16337 1 . SER 128 128 16337 1 . ASP 129 129 16337 1 . CYS 130 130 16337 1 . PRO 131 131 16337 1 . TYR 132 132 16337 1 . THR 133 133 16337 1 . ASN 134 134 16337 1 . SER 135 135 16337 1 . LEU 136 136 16337 1 . ASP 137 137 16337 1 . SER 138 138 16337 1 . ARG 139 139 16337 1 . LEU 140 140 16337 1 . ALA 141 141 16337 1 . GLU 142 142 16337 1 . LEU 143 143 16337 1 . ASP 144 144 16337 1 . TYR 145 145 16337 1 . LEU 146 146 16337 1 . LEU 147 147 16337 1 . ASN 148 148 16337 1 . ASN 149 149 16337 1 . ASP 150 150 16337 1 . LEU 151 151 16337 1 . ALA 152 152 16337 1 . ASP 153 153 16337 1 . VAL 154 154 16337 1 . ASP 155 155 16337 1 . CYS 156 156 16337 1 . GLU 157 157 16337 1 . ASN 158 158 16337 1 . TRP 159 159 16337 1 . GLU 160 160 16337 1 . GLU 161 161 16337 1 . ASP 162 162 16337 1 . THR 163 163 16337 1 . PRO 164 164 16337 1 . PHE 165 165 16337 1 . LYS 166 166 16337 1 . ASP 167 167 16337 1 . PRO 168 168 16337 1 . ARG 169 169 16337 1 . GLU 170 170 16337 1 . LEU 171 171 16337 1 . TYR 172 172 16337 1 . ASP 173 173 16337 1 . PHE 174 174 16337 1 . LEU 175 175 16337 1 . LYS 176 176 16337 1 . THR 177 177 16337 1 . GLU 178 178 16337 1 . LYS 179 179 16337 1 . PRO 180 180 16337 1 . GLU 181 181 16337 1 . GLU 182 182 16337 1 . GLU 183 183 16337 1 . LEU 184 184 16337 1 . VAL 185 185 16337 1 . PHE 186 186 16337 1 . SER 187 187 16337 1 . HIS 188 188 16337 1 . GLY 189 189 16337 1 . ASP 190 190 16337 1 . LEU 191 191 16337 1 . GLY 192 192 16337 1 . ASP 193 193 16337 1 . SER 194 194 16337 1 . ASN 195 195 16337 1 . ILE 196 196 16337 1 . PHE 197 197 16337 1 . VAL 198 198 16337 1 . LYS 199 199 16337 1 . ASP 200 200 16337 1 . GLY 201 201 16337 1 . LYS 202 202 16337 1 . VAL 203 203 16337 1 . SER 204 204 16337 1 . GLY 205 205 16337 1 . PHE 206 206 16337 1 . ILE 207 207 16337 1 . ASP 208 208 16337 1 . LEU 209 209 16337 1 . GLY 210 210 16337 1 . ARG 211 211 16337 1 . SER 212 212 16337 1 . GLY 213 213 16337 1 . ARG 214 214 16337 1 . ALA 215 215 16337 1 . ASP 216 216 16337 1 . LYS 217 217 16337 1 . TRP 218 218 16337 1 . TYR 219 219 16337 1 . ASP 220 220 16337 1 . ILE 221 221 16337 1 . ALA 222 222 16337 1 . PHE 223 223 16337 1 . CYS 224 224 16337 1 . VAL 225 225 16337 1 . ARG 226 226 16337 1 . SER 227 227 16337 1 . ILE 228 228 16337 1 . ARG 229 229 16337 1 . GLU 230 230 16337 1 . ASP 231 231 16337 1 . ILE 232 232 16337 1 . GLY 233 233 16337 1 . GLU 234 234 16337 1 . GLU 235 235 16337 1 . GLN 236 236 16337 1 . TYR 237 237 16337 1 . VAL 238 238 16337 1 . GLU 239 239 16337 1 . LEU 240 240 16337 1 . PHE 241 241 16337 1 . PHE 242 242 16337 1 . ASP 243 243 16337 1 . LEU 244 244 16337 1 . LEU 245 245 16337 1 . GLY 246 246 16337 1 . ILE 247 247 16337 1 . LYS 248 248 16337 1 . PRO 249 249 16337 1 . ASP 250 250 16337 1 . TRP 251 251 16337 1 . GLU 252 252 16337 1 . LYS 253 253 16337 1 . ILE 254 254 16337 1 . LYS 255 255 16337 1 . TYR 256 256 16337 1 . TYR 257 257 16337 1 . ILE 258 258 16337 1 . LEU 259 259 16337 1 . LEU 260 260 16337 1 . ASP 261 261 16337 1 . GLU 262 262 16337 1 . LEU 263 263 16337 1 . PHE 264 264 16337 1 stop_ save_ save_TOY _Entity.Sf_category entity _Entity.Sf_framecode TOY _Entity.Entry_ID 16337 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TOY _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID TOY _Entity.Nonpolymer_comp_label $chem_comp_TOY _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . TOY . 16337 2 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 16337 _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 $APH-tobramycin . 1351 organism . 'Enterococcus faecalis' 'Streptococcus faecalis' . . Bacteria . Enterococcus faecalis . . . . . . . . . . . . . . . . IIIa . . . . 16337 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 16337 _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 $APH-tobramycin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pAT21-1 . . . . . . 16337 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TOY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TOY _Chem_comp.Entry_ID 16337 _Chem_comp.ID TOY _Chem_comp.Provenance . _Chem_comp.Name TOBRAMYCIN _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code TOY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2002-04-09 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code TOY _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 4-AMINO-2-[4,6-DIAMINO-3-(3-AMINO-6-AMINOMETHYL-5-HYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-2-HYDROXY-CYCLOHEXYLOXY]-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C18 H37 N5 O9' _Chem_comp.Formula_weight 467.514 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1LC4 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 26 10:14:07 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N SMILES 'OpenEye OEToolkits' 1.5.0 16337 TOY C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16337 TOY InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 InChI InChI 1.03 16337 TOY NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O SMILES_CANONICAL CACTVS 3.341 16337 TOY NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2O)[CH](N)C[CH]1O SMILES CACTVS 3.341 16337 TOY NLVFBUXFDBBNBW-PBSUHMDJSA-N InChIKey InChI 1.03 16337 TOY O(C2C(O)C(OC1OC(CN)C(O)CC1N)C(N)CC2N)C3OC(C(O)C(N)C3O)CO SMILES ACDLabs 10.04 16337 TOY stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside' 'SYSTEMATIC NAME' ACDLabs 10.04 16337 TOY (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxy-oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16337 TOY stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C11 . C11 . . C . . R 0 . . . . no no . . . . 11.840 . -7.108 . 5.575 . -1.142 -0.196 -2.574 1 . 16337 TOY O11 . O11 . . O . . N 0 . . . . no no . . . . 13.055 . -7.680 . 5.183 . 0.028 -0.989 -2.371 2 . 16337 TOY C21 . C21 . . C . . R 0 . . . . no no . . . . 10.692 . -7.628 . 4.673 . -2.181 -1.012 -3.346 3 . 16337 TOY N21 . N21 . . N . . N 0 . . . . no no . . . . 10.573 . -9.108 . 4.690 . -2.551 -2.200 -2.565 4 . 16337 TOY C31 . C31 . . C . . N 0 . . . . no no . . . . 10.848 . -7.107 . 3.231 . -1.580 -1.445 -4.688 5 . 16337 TOY C41 . C41 . . C . . S 0 . . . . no no . . . . 10.940 . -5.573 . 3.252 . -1.058 -0.200 -5.414 6 . 16337 TOY O41 . O41 . . O . . N 0 . . . . no no . . . . 11.078 . -5.083 . 1.923 . -0.362 -0.593 -6.598 7 . 16337 TOY C51 . C51 . . C . . R 0 . . . . no no . . . . 12.136 . -5.142 . 4.130 . -0.102 0.554 -4.486 8 . 16337 TOY O51 . O51 . . O . . N 0 . . . . no no . . . . 11.964 . -5.655 . 5.484 . -0.799 0.973 -3.315 9 . 16337 TOY C61 . C61 . . C . . N 0 . . . . no no . . . . 12.296 . -3.629 . 4.239 . 0.451 1.780 -5.215 10 . 16337 TOY N61 . N61 . . N . . N 0 . . . . no no . . . . 12.888 . -3.046 . 3.011 . 1.371 2.503 -4.326 11 . 16337 TOY C12 . C12 . . C . . R 0 . . . . no no . . . . 16.671 . -8.899 . 7.111 . 2.642 -0.465 0.915 12 . 16337 TOY N12 . N12 . . N . . N 0 . . . . no no . . . . 17.844 . -8.943 . 8.018 . 3.431 0.201 1.959 13 . 16337 TOY C22 . C22 . . C . . N 0 . . . . no no . . . . 16.702 . -7.619 . 6.265 . 3.100 0.022 -0.460 14 . 16337 TOY C32 . C32 . . C . . S 0 . . . . no no . . . . 15.481 . -7.595 . 5.314 . 2.277 -0.671 -1.547 15 . 16337 TOY N32 . N32 . . N . . N 0 . . . . no no . . . . 15.602 . -6.428 . 4.401 . 2.717 -0.203 -2.868 16 . 16337 TOY C42 . C42 . . C . . R 0 . . . . no no . . . . 14.164 . -7.620 . 6.118 . 0.796 -0.341 -1.356 17 . 16337 TOY C52 . C52 . . C . . S 0 . . . . no no . . . . 14.122 . -8.865 . 7.052 . 0.338 -0.829 0.019 18 . 16337 TOY O52 . O52 . . O . . N 0 . . . . no no . . . . 12.973 . -8.788 . 7.881 . -1.045 -0.520 0.198 19 . 16337 TOY C62 . C62 . . C . . S 0 . . . . no no . . . . 15.384 . -8.933 . 7.949 . 1.160 -0.134 1.107 20 . 16337 TOY O62 . O62 . . O . . N 0 . . . . no no . . . . 15.356 . -10.153 . 8.726 . 0.732 -0.590 2.392 21 . 16337 TOY C13 . C13 . . C . . S 0 . . . . no no . . . . 15.424 . -10.045 . 10.116 . 0.951 0.485 3.306 22 . 16337 TOY C23 . C23 . . C . . R 0 . . . . no no . . . . 15.972 . -11.354 . 10.714 . 0.886 -0.043 4.740 23 . 16337 TOY O23 . O23 . . O . . N 0 . . . . no no . . . . 17.273 . -11.609 . 10.210 . 1.910 -1.021 4.936 24 . 16337 TOY C33 . C33 . . C . . S 0 . . . . no no . . . . 15.035 . -12.506 . 10.356 . -0.484 -0.683 4.976 25 . 16337 TOY N33 . N33 . . N . . N 0 . . . . no no . . . . 15.568 . -13.807 . 10.829 . -0.621 -1.059 6.389 26 . 16337 TOY C43 . C43 . . C . . S 0 . . . . no no . . . . 13.653 . -12.229 . 10.970 . -1.569 0.334 4.607 27 . 16337 TOY O43 . O43 . . O . . N 0 . . . . no no . . . . 12.748 . -13.280 . 10.641 . -2.854 -0.286 4.677 28 . 16337 TOY C53 . C53 . . C . . R 0 . . . . no no . . . . 13.107 . -10.869 . 10.470 . -1.320 0.835 3.183 29 . 16337 TOY O53 . O53 . . O . . N 0 . . . . no no . . . . 14.090 . -9.783 . 10.648 . -0.050 1.482 3.114 30 . 16337 TOY C63 . C63 . . C . . N 0 . . . . no no . . . . 11.851 . -10.453 . 11.213 . -2.418 1.828 2.795 31 . 16337 TOY O63 . O63 . . O . . N 0 . . . . no no . . . . 12.112 . -10.225 . 12.594 . -2.245 2.221 1.432 32 . 16337 TOY H11 . H11 . . H . . N 0 . . . . no no . . . . 11.598 . -7.392 . 6.626 . -1.554 0.094 -1.608 33 . 16337 TOY H21 . H21 . . H . . N 0 . . . . no no . . . . 9.743 . -7.226 . 5.099 . -3.067 -0.402 -3.523 34 . 16337 TOY HN21 . HN21 . . H . . N 0 . . . . no no . . . . 10.475 . -9.456 . 5.644 . -3.234 -2.704 -3.111 35 . 16337 TOY HN22 . HN22 . . H . . N 0 . . . . no no . . . . 9.817 . -9.450 . 4.096 . -1.729 -2.784 -2.518 36 . 16337 TOY H311 . H311 . . H . . N 0 . . . . no no . . . . 10.036 . -7.472 . 2.560 . -0.758 -2.139 -4.514 37 . 16337 TOY H312 . H312 . . H . . N 0 . . . . no no . . . . 11.712 . -7.575 . 2.704 . -2.347 -1.926 -5.294 38 . 16337 TOY H41 . H41 . . H . . N 0 . . . . no no . . . . 10.008 . -5.142 . 3.688 . -1.895 0.444 -5.680 39 . 16337 TOY H41O . H41O . . H . . N 0 . . . . no no . . . . 11.135 . -4.135 . 1.936 . -0.997 -1.071 -7.150 40 . 16337 TOY H51 . H51 . . H . . N 0 . . . . no no . . . . 13.043 . -5.558 . 3.633 . 0.720 -0.101 -4.203 41 . 16337 TOY H611 . H611 . . H . . N 0 . . . . no no . . . . 12.882 . -3.348 . 5.145 . -0.370 2.436 -5.499 42 . 16337 TOY H612 . H612 . . H . . N 0 . . . . no no . . . . 11.329 . -3.137 . 4.496 . 0.986 1.460 -6.109 43 . 16337 TOY HN61 . HN61 . . H . . N 0 . . . . no no . . . . 12.352 . -3.303 . 2.183 . 1.710 3.299 -4.846 44 . 16337 TOY HN62 . HN62 . . H . . N 0 . . . . no no . . . . 12.995 . -2.034 . 3.084 . 0.814 2.867 -3.568 45 . 16337 TOY H12 . H12 . . H . . N 0 . . . . no no . . . . 16.701 . -9.780 . 6.429 . 2.785 -1.543 0.984 46 . 16337 TOY HN11 . HN11 . . H . . N 0 . . . . no no . . . . 17.910 . -8.105 . 8.597 . 4.396 -0.043 1.794 47 . 16337 TOY HN12 . HN12 . . H . . N 0 . . . . no no . . . . 17.823 . -9.794 . 8.580 . 3.352 1.193 1.794 48 . 16337 TOY H221 . H221 . . H . . N 0 . . . . no no . . . . 17.665 . -7.501 . 5.716 . 4.155 -0.212 -0.596 49 . 16337 TOY H222 . H222 . . H . . N 0 . . . . no no . . . . 16.763 . -6.700 . 6.894 . 2.956 1.101 -0.529 50 . 16337 TOY H32 . H32 . . H . . N 0 . . . . no no . . . . 15.461 . -8.512 . 4.680 . 2.421 -1.750 -1.478 51 . 16337 TOY HN1 . HN1 . . H . . N 0 . . . . no no . . . . 16.488 . -6.420 . 3.896 . 3.723 -0.277 -2.882 52 . 16337 TOY HN2 . HN2 . . H . . N 0 . . . . no no . . . . 14.797 . -6.412 . 3.774 . 2.368 -0.867 -3.542 53 . 16337 TOY H42 . H42 . . H . . N 0 . . . . no no . . . . 14.094 . -6.702 . 6.747 . 0.653 0.737 -1.425 54 . 16337 TOY H52 . H52 . . H . . N 0 . . . . no no . . . . 14.086 . -9.780 . 6.416 . 0.481 -1.907 0.088 55 . 16337 TOY H52O . H52O . . H . . N 0 . . . . no no . . . . 12.947 . -9.548 . 8.451 . -1.325 -0.955 1.015 56 . 16337 TOY H62 . H62 . . H . . N 0 . . . . no no . . . . 15.379 . -8.043 . 8.621 . 1.017 0.943 1.037 57 . 16337 TOY H13 . H13 . . H . . N 0 . . . . no no . . . . 16.105 . -9.205 . 10.389 . 1.934 0.921 3.124 58 . 16337 TOY H23 . H23 . . H . . N 0 . . . . no no . . . . 16.031 . -11.259 . 11.823 . 1.029 0.779 5.440 59 . 16337 TOY H23O . H23O . . H . . N 0 . . . . no no . . . . 17.611 . -12.416 . 10.579 . 2.754 -0.577 4.778 60 . 16337 TOY H33 . H33 . . H . . N 0 . . . . no no . . . . 14.949 . -12.573 . 9.246 . -0.587 -1.570 4.350 61 . 16337 TOY HN31 . HN31 . . H . . N 0 . . . . no no . . . . 15.769 . -13.787 . 11.829 . 0.110 -1.726 6.584 62 . 16337 TOY HN32 . HN32 . . H . . N 0 . . . . no no . . . . 14.942 . -14.576 . 10.590 . -0.411 -0.233 6.930 63 . 16337 TOY H43 . H43 . . H . . N 0 . . . . no no . . . . 13.756 . -12.183 . 12.079 . -1.532 1.174 5.301 64 . 16337 TOY H43O . H43O . . H . . N 0 . . . . no no . . . . 11.894 . -13.109 . 11.020 . -3.504 0.386 4.432 65 . 16337 TOY H53 . H53 . . H . . N 0 . . . . no no . . . . 12.885 . -11.022 . 9.388 . -1.335 -0.008 2.494 66 . 16337 TOY H631 . H631 . . H . . N 0 . . . . no no . . . . 11.029 . -11.193 . 11.070 . -3.393 1.356 2.916 67 . 16337 TOY H632 . H632 . . H . . N 0 . . . . no no . . . . 11.371 . -9.566 . 10.737 . -2.357 2.707 3.437 68 . 16337 TOY H63O . H63O . . H . . N 0 . . . . no no . . . . 11.326 . -9.965 . 13.059 . -2.905 2.903 1.252 69 . 16337 TOY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C11 O11 no N 1 . 16337 TOY 2 . SING C11 C21 no N 2 . 16337 TOY 3 . SING C11 O51 no N 3 . 16337 TOY 4 . SING C11 H11 no N 4 . 16337 TOY 5 . SING O11 C42 no N 5 . 16337 TOY 6 . SING C21 N21 no N 6 . 16337 TOY 7 . SING C21 C31 no N 7 . 16337 TOY 8 . SING C21 H21 no N 8 . 16337 TOY 9 . SING N21 HN21 no N 9 . 16337 TOY 10 . SING N21 HN22 no N 10 . 16337 TOY 11 . SING C31 C41 no N 11 . 16337 TOY 12 . SING C31 H311 no N 12 . 16337 TOY 13 . SING C31 H312 no N 13 . 16337 TOY 14 . SING C41 O41 no N 14 . 16337 TOY 15 . SING C41 C51 no N 15 . 16337 TOY 16 . SING C41 H41 no N 16 . 16337 TOY 17 . SING O41 H41O no N 17 . 16337 TOY 18 . SING C51 O51 no N 18 . 16337 TOY 19 . SING C51 C61 no N 19 . 16337 TOY 20 . SING C51 H51 no N 20 . 16337 TOY 21 . SING C61 N61 no N 21 . 16337 TOY 22 . SING C61 H611 no N 22 . 16337 TOY 23 . SING C61 H612 no N 23 . 16337 TOY 24 . SING N61 HN61 no N 24 . 16337 TOY 25 . SING N61 HN62 no N 25 . 16337 TOY 26 . SING C12 N12 no N 26 . 16337 TOY 27 . SING C12 C22 no N 27 . 16337 TOY 28 . SING C12 C62 no N 28 . 16337 TOY 29 . SING C12 H12 no N 29 . 16337 TOY 30 . SING N12 HN11 no N 30 . 16337 TOY 31 . SING N12 HN12 no N 31 . 16337 TOY 32 . SING C22 C32 no N 32 . 16337 TOY 33 . SING C22 H221 no N 33 . 16337 TOY 34 . SING C22 H222 no N 34 . 16337 TOY 35 . SING C32 N32 no N 35 . 16337 TOY 36 . SING C32 C42 no N 36 . 16337 TOY 37 . SING C32 H32 no N 37 . 16337 TOY 38 . SING N32 HN1 no N 38 . 16337 TOY 39 . SING N32 HN2 no N 39 . 16337 TOY 40 . SING C42 C52 no N 40 . 16337 TOY 41 . SING C42 H42 no N 41 . 16337 TOY 42 . SING C52 O52 no N 42 . 16337 TOY 43 . SING C52 C62 no N 43 . 16337 TOY 44 . SING C52 H52 no N 44 . 16337 TOY 45 . SING O52 H52O no N 45 . 16337 TOY 46 . SING C62 O62 no N 46 . 16337 TOY 47 . SING C62 H62 no N 47 . 16337 TOY 48 . SING O62 C13 no N 48 . 16337 TOY 49 . SING C13 C23 no N 49 . 16337 TOY 50 . SING C13 O53 no N 50 . 16337 TOY 51 . SING C13 H13 no N 51 . 16337 TOY 52 . SING C23 O23 no N 52 . 16337 TOY 53 . SING C23 C33 no N 53 . 16337 TOY 54 . SING C23 H23 no N 54 . 16337 TOY 55 . SING O23 H23O no N 55 . 16337 TOY 56 . SING C33 N33 no N 56 . 16337 TOY 57 . SING C33 C43 no N 57 . 16337 TOY 58 . SING C33 H33 no N 58 . 16337 TOY 59 . SING N33 HN31 no N 59 . 16337 TOY 60 . SING N33 HN32 no N 60 . 16337 TOY 61 . SING C43 O43 no N 61 . 16337 TOY 62 . SING C43 C53 no N 62 . 16337 TOY 63 . SING C43 H43 no N 63 . 16337 TOY 64 . SING O43 H43O no N 64 . 16337 TOY 65 . SING C53 O53 no N 65 . 16337 TOY 66 . SING C53 C63 no N 66 . 16337 TOY 67 . SING C53 H53 no N 67 . 16337 TOY 68 . SING C63 O63 no N 68 . 16337 TOY 69 . SING C63 H631 no N 69 . 16337 TOY 70 . SING C63 H632 no N 70 . 16337 TOY 71 . SING O63 H63O no N 71 . 16337 TOY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16337 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 APH-tobramycin '[U-13C; U-15N; U-2H]' . . 1 $APH-tobramycin . . 250 . . uM . . . . 16337 1 2 Tris-HCl 'natural abundance' . . . . . . 25 . . mM . . . . 16337 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16337 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16337 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16337 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16337 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16337 _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' 50 . mM 16337 1 pH 7.4 . pH 16337 1 pressure 1 . atm 16337 1 temperature 298 . K 16337 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16337 _Software.ID 1 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16337 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16337 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16337 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16337 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16337 _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 DMX . 600 . . . 16337 1 2 spectrometer_2 Varian DMX . 900 . . . 16337 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 16337 _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 . . . . . . . . . . . . . . . . . . . . . 16337 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16337 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16337 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16337 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16337 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16337 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16337 _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 protons . . . . ppm 0 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16337 1 N 15 DSS protons . . . . ppm 0 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16337 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 16337 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16337 1 2 '3D HNCA' . . . 16337 1 3 '3D HN(CO)CA' . . . 16337 1 4 '3D HNCACB' . . . 16337 1 5 '3D HNCO' . . . 16337 1 6 '3D 1H-15N NOESY' . . . 16337 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 16337 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 ALA H H 1 7.68 0.02 . 1 . . . . 2 ALA H . 16337 1 2 . 1 1 2 2 ALA C C 13 173.4 0.30 . 1 . . . . 2 ALA C . 16337 1 3 . 1 1 2 2 ALA CA C 13 51.4 0.30 . 1 . . . . 2 ALA CA . 16337 1 4 . 1 1 2 2 ALA CB C 13 18.5 0.30 . 1 . . . . 2 ALA CB . 16337 1 5 . 1 1 2 2 ALA N N 15 120.4 0.20 . 1 . . . . 2 ALA N . 16337 1 6 . 1 1 3 3 LYS H H 1 9.23 0.02 . 1 . . . . 3 LYS H . 16337 1 7 . 1 1 3 3 LYS CA C 13 51.4 0.30 . 1 . . . . 3 LYS CA . 16337 1 8 . 1 1 3 3 LYS CB C 13 31.7 0.30 . 1 . . . . 3 LYS CB . 16337 1 9 . 1 1 6 6 ILE H H 1 7.33 0.02 . 1 . . . . 6 ILE H . 16337 1 10 . 1 1 6 6 ILE C C 13 173.6 0.30 . 5 . . . . 6 ILE C . 16337 1 11 . 1 1 6 6 ILE CA C 13 60.8 0.30 . 1 . . . . 6 ILE CA . 16337 1 12 . 1 1 6 6 ILE CB C 13 37.3 0.30 . 1 . . . . 6 ILE CB . 16337 1 13 . 1 1 6 6 ILE N N 15 108.7 0.20 . 1 . . . . 6 ILE N . 16337 1 14 . 1 1 7 7 SER H H 1 7.49 0.02 . 1 . . . . 7 SER H . 16337 1 15 . 1 1 7 7 SER CA C 13 53.3 0.30 . 1 . . . . 7 SER CA . 16337 1 16 . 1 1 7 7 SER CB C 13 65.3 0.30 . 1 . . . . 7 SER CB . 16337 1 17 . 1 1 7 7 SER N N 15 123.9 0.20 . 1 . . . . 7 SER N . 16337 1 18 . 1 1 8 8 PRO C C 13 174.9 0.30 . 9 . . . . 8 PRO C . 16337 1 19 . 1 1 8 8 PRO CA C 13 50.9 0.30 . 9 . . . . 8 PRO CA . 16337 1 20 . 1 1 8 8 PRO CB C 13 33.2 0.30 . 9 . . . . 8 PRO CB . 16337 1 21 . 1 1 9 9 GLU H H 1 8.09 0.02 . 9 . . . . 9 GLU H . 16337 1 22 . 1 1 9 9 GLU C C 13 171.9 0.30 . 9 . . . . 9 GLU C . 16337 1 23 . 1 1 9 9 GLU CA C 13 59.5 0.30 . 9 . . . . 9 GLU CA . 16337 1 24 . 1 1 9 9 GLU CB C 13 38.6 0.30 . 9 . . . . 9 GLU CB . 16337 1 25 . 1 1 9 9 GLU N N 15 123.1 0.20 . 9 . . . . 9 GLU N . 16337 1 26 . 1 1 10 10 LEU H H 1 8.01 0.02 . 1 . . . . 10 LEU H . 16337 1 27 . 1 1 10 10 LEU C C 13 172.8 0.30 . 1 . . . . 10 LEU C . 16337 1 28 . 1 1 10 10 LEU CA C 13 56.7 0.30 . 1 . . . . 10 LEU CA . 16337 1 29 . 1 1 10 10 LEU CB C 13 25.2 0.30 . 9 . . . . 10 LEU CB . 16337 1 30 . 1 1 10 10 LEU N N 15 124.3 0.20 . 1 . . . . 10 LEU N . 16337 1 31 . 1 1 11 11 LYS H H 1 8.28 0.02 . 1 . . . . 11 LYS H . 16337 1 32 . 1 1 11 11 LYS C C 13 171.9 0.30 . 1 . . . . 11 LYS C . 16337 1 33 . 1 1 11 11 LYS CA C 13 59.3 0.30 . 1 . . . . 11 LYS CA . 16337 1 34 . 1 1 11 11 LYS CB C 13 31.1 0.30 . 1 . . . . 11 LYS CB . 16337 1 35 . 1 1 11 11 LYS N N 15 119.8 0.20 . 1 . . . . 11 LYS N . 16337 1 36 . 1 1 12 12 LYS H H 1 7.35 0.02 . 1 . . . . 12 LYS H . 16337 1 37 . 1 1 12 12 LYS C C 13 171.5 0.30 . 1 . . . . 12 LYS C . 16337 1 38 . 1 1 12 12 LYS CA C 13 58.0 0.30 . 1 . . . . 12 LYS CA . 16337 1 39 . 1 1 12 12 LYS CB C 13 31.1 0.30 . 1 . . . . 12 LYS CB . 16337 1 40 . 1 1 12 12 LYS N N 15 117.2 0.20 . 1 . . . . 12 LYS N . 16337 1 41 . 1 1 13 13 LEU H H 1 7.30 0.02 . 1 . . . . 13 LEU H . 16337 1 42 . 1 1 13 13 LEU C C 13 175.3 0.30 . 1 . . . . 13 LEU C . 16337 1 43 . 1 1 13 13 LEU CA C 13 56.9 0.30 . 1 . . . . 13 LEU CA . 16337 1 44 . 1 1 13 13 LEU CB C 13 41.3 0.30 . 9 . . . . 13 LEU CB . 16337 1 45 . 1 1 13 13 LEU N N 15 119.2 0.20 . 1 . . . . 13 LEU N . 16337 1 46 . 1 1 14 14 ILE H H 1 8.55 0.02 . 1 . . . . 14 ILE H . 16337 1 47 . 1 1 14 14 ILE C C 13 171.1 0.30 . 1 . . . . 14 ILE C . 16337 1 48 . 1 1 14 14 ILE CA C 13 55.1 0.30 . 1 . . . . 14 ILE CA . 16337 1 49 . 1 1 14 14 ILE CB C 13 30.2 0.30 . 4 . . . . 14 ILE CB . 16337 1 50 . 1 1 14 14 ILE N N 15 123.0 0.20 . 1 . . . . 14 ILE N . 16337 1 51 . 1 1 15 15 GLU H H 1 8.97 0.02 . 1 . . . . 15 GLU H . 16337 1 52 . 1 1 15 15 GLU C C 13 173.4 0.30 . 1 . . . . 15 GLU C . 16337 1 53 . 1 1 15 15 GLU CA C 13 58.2 0.30 . 1 . . . . 15 GLU CA . 16337 1 54 . 1 1 15 15 GLU CB C 13 28.9 0.30 . 1 . . . . 15 GLU CB . 16337 1 55 . 1 1 15 15 GLU N N 15 122.5 0.20 . 1 . . . . 15 GLU N . 16337 1 56 . 1 1 16 16 LYS H H 1 8.07 0.02 . 9 . . . . 16 LYS H . 16337 1 57 . 1 1 16 16 LYS C C 13 175.0 0.30 . 9 . . . . 16 LYS C . 16337 1 58 . 1 1 16 16 LYS CA C 13 55.8 0.30 . 9 . . . . 16 LYS CA . 16337 1 59 . 1 1 16 16 LYS CB C 13 30.2 0.30 . 9 . . . . 16 LYS CB . 16337 1 60 . 1 1 16 16 LYS N N 15 115.9 0.20 . 9 . . . . 16 LYS N . 16337 1 61 . 1 1 17 17 TYR H H 1 7.64 0.02 . 9 . . . . 17 TYR H . 16337 1 62 . 1 1 17 17 TYR C C 13 170.3 0.30 . 9 . . . . 17 TYR C . 16337 1 63 . 1 1 17 17 TYR CA C 13 57.1 0.30 . 9 . . . . 17 TYR CA . 16337 1 64 . 1 1 17 17 TYR CB C 13 40.4 0.30 . 9 . . . . 17 TYR CB . 16337 1 65 . 1 1 17 17 TYR N N 15 119.9 0.20 . 9 . . . . 17 TYR N . 16337 1 66 . 1 1 18 18 ARG H H 1 8.81 0.02 . 1 . . . . 18 ARG H . 16337 1 67 . 1 1 18 18 ARG C C 13 171.9 0.30 . 1 . . . . 18 ARG C . 16337 1 68 . 1 1 18 18 ARG CA C 13 57.8 0.30 . 1 . . . . 18 ARG CA . 16337 1 69 . 1 1 18 18 ARG CB C 13 30.4 0.30 . 1 . . . . 18 ARG CB . 16337 1 70 . 1 1 18 18 ARG N N 15 119.3 0.20 . 1 . . . . 18 ARG N . 16337 1 71 . 1 1 19 19 CYS H H 1 7.71 0.02 . 1 . . . . 19 CYS H . 16337 1 72 . 1 1 19 19 CYS C C 13 176.0 0.30 . 1 . . . . 19 CYS C . 16337 1 73 . 1 1 19 19 CYS CA C 13 58.4 0.30 . 1 . . . . 19 CYS CA . 16337 1 74 . 1 1 19 19 CYS N N 15 121.3 0.20 . 1 . . . . 19 CYS N . 16337 1 75 . 1 1 20 20 VAL H H 1 9.52 0.02 . 1 . . . . 20 VAL H . 16337 1 76 . 1 1 20 20 VAL C C 13 175.0 0.30 . 1 . . . . 20 VAL C . 16337 1 77 . 1 1 20 20 VAL CA C 13 61.0 0.30 . 1 . . . . 20 VAL CA . 16337 1 78 . 1 1 20 20 VAL CB C 13 32.8 0.30 . 1 . . . . 20 VAL CB . 16337 1 79 . 1 1 20 20 VAL N N 15 131.0 0.20 . 1 . . . . 20 VAL N . 16337 1 80 . 1 1 21 21 LYS H H 1 8.83 0.02 . 1 . . . . 21 LYS H . 16337 1 81 . 1 1 21 21 LYS CA C 13 57.0 0.30 . 1 . . . . 21 LYS CA . 16337 1 82 . 1 1 21 21 LYS CB C 13 32.7 0.30 . 1 . . . . 21 LYS CB . 16337 1 83 . 1 1 21 21 LYS N N 15 130.0 0.20 . 1 . . . . 21 LYS N . 16337 1 84 . 1 1 23 23 THR H H 1 7.93 0.02 . 9 . . . . 23 THR H 'Can also be assigned to Ser 187' 16337 1 85 . 1 1 23 23 THR CA C 13 56.4 0.30 . 9 . . . . 23 THR CA 'Can also be assigned to Ser 187' 16337 1 86 . 1 1 23 23 THR CB C 13 62.9 0.30 . 9 . . . . 23 THR CB 'Can also be assigned to Ser 187' 16337 1 87 . 1 1 23 23 THR N N 15 117.1 0.20 . 9 . . . . 23 THR N 'Can also be assigned to Ser 187' 16337 1 88 . 1 1 24 24 GLU C C 13 172.9 0.30 . 1 . . . . 24 GLU C . 16337 1 89 . 1 1 25 25 GLY H H 1 8.30 0.02 . 1 . . . . 25 GLY H . 16337 1 90 . 1 1 25 25 GLY C C 13 176.5 0.30 . 1 . . . . 25 GLY C . 16337 1 91 . 1 1 25 25 GLY CA C 13 47.2 0.30 . 1 . . . . 25 GLY CA . 16337 1 92 . 1 1 25 25 GLY N N 15 105.8 0.20 . 1 . . . . 25 GLY N . 16337 1 93 . 1 1 26 26 MET H H 1 8.17 0.02 . 1 . . . . 26 MET H . 16337 1 94 . 1 1 26 26 MET C C 13 175.8 0.30 . 1 . . . . 26 MET C . 16337 1 95 . 1 1 26 26 MET CA C 13 57.2 0.30 . 1 . . . . 26 MET CA . 16337 1 96 . 1 1 26 26 MET CB C 13 36.0 0.30 . 4 . . . . 26 MET CB . 16337 1 97 . 1 1 26 26 MET N N 15 123.7 0.20 . 1 . . . . 26 MET N . 16337 1 98 . 1 1 27 27 SER H H 1 9.23 0.02 . 1 . . . . 27 SER H . 16337 1 99 . 1 1 27 27 SER CA C 13 57.1 0.30 . 1 . . . . 27 SER CA . 16337 1 100 . 1 1 27 27 SER CB C 13 60.6 0.30 . 1 . . . . 27 SER CB . 16337 1 101 . 1 1 27 27 SER N N 15 121.8 0.20 . 1 . . . . 27 SER N . 16337 1 102 . 1 1 28 28 PRO C C 13 170.3 0.30 . 1 . . . . 28 PRO C . 16337 1 103 . 1 1 28 28 PRO CA C 13 57.6 0.30 . 1 . . . . 28 PRO CA . 16337 1 104 . 1 1 29 29 ALA H H 1 7.72 0.02 . 9 . . . . 29 ALA H 'By default (The last Alanine)' 16337 1 105 . 1 1 29 29 ALA CA C 13 54.8 0.30 . 9 . . . . 29 ALA CA . 16337 1 106 . 1 1 29 29 ALA CB C 13 17.0 0.30 . 9 . . . . 29 ALA CB . 16337 1 107 . 1 1 29 29 ALA N N 15 125.1 0.20 . 9 . . . . 29 ALA N . 16337 1 108 . 1 1 31 31 VAL H H 1 8.25 0.02 . 1 . . . . 31 VAL H . 16337 1 109 . 1 1 31 31 VAL C C 13 176.1 0.30 . 1 . . . . 31 VAL C . 16337 1 110 . 1 1 31 31 VAL CA C 13 60.8 0.30 . 1 . . . . 31 VAL CA . 16337 1 111 . 1 1 31 31 VAL CB C 13 33.4 0.30 . 1 . . . . 31 VAL CB . 16337 1 112 . 1 1 31 31 VAL N N 15 123.8 0.20 . 1 . . . . 31 VAL N . 16337 1 113 . 1 1 32 32 TYR H H 1 9.49 0.02 . 1 . . . . 32 TYR H . 16337 1 114 . 1 1 32 32 TYR C C 13 176.2 0.30 . 1 . . . . 32 TYR C . 16337 1 115 . 1 1 32 32 TYR CA C 13 55.8 0.30 . 1 . . . . 32 TYR CA . 16337 1 116 . 1 1 32 32 TYR CB C 13 40.2 0.30 . 1 . . . . 32 TYR CB . 16337 1 117 . 1 1 32 32 TYR N N 15 125.8 0.20 . 1 . . . . 32 TYR N . 16337 1 118 . 1 1 33 33 LYS H H 1 8.97 0.02 . 1 . . . . 33 LYS H . 16337 1 119 . 1 1 33 33 LYS C C 13 176.8 0.30 . 1 . . . . 33 LYS C . 16337 1 120 . 1 1 33 33 LYS CA C 13 54.8 0.30 . 1 . . . . 33 LYS CA . 16337 1 121 . 1 1 33 33 LYS CB C 13 33.3 0.30 . 1 . . . . 33 LYS CB . 16337 1 122 . 1 1 33 33 LYS N N 15 125.5 0.20 . 1 . . . . 33 LYS N . 16337 1 123 . 1 1 34 34 LEU H H 1 8.79 0.02 . 1 . . . . 34 LEU H . 16337 1 124 . 1 1 34 34 LEU C C 13 175.2 0.30 . 1 . . . . 34 LEU C . 16337 1 125 . 1 1 34 34 LEU CA C 13 52.0 0.30 . 1 . . . . 34 LEU CA . 16337 1 126 . 1 1 34 34 LEU CB C 13 39.1 0.30 . 4 . . . . 34 LEU CB . 16337 1 127 . 1 1 34 34 LEU N N 15 130.2 0.20 . 1 . . . . 34 LEU N . 16337 1 128 . 1 1 35 35 VAL H H 1 9.15 0.02 . 1 . . . . 35 VAL H . 16337 1 129 . 1 1 35 35 VAL C C 13 173.8 0.30 . 1 . . . . 35 VAL C . 16337 1 130 . 1 1 35 35 VAL CA C 13 62.0 0.30 . 1 . . . . 35 VAL CA . 16337 1 131 . 1 1 35 35 VAL CB C 13 32.1 0.30 . 4 . . . . 35 VAL CB . 16337 1 132 . 1 1 35 35 VAL N N 15 125.1 0.20 . 1 . . . . 35 VAL N . 16337 1 133 . 1 1 36 36 GLY H H 1 8.47 0.02 . 1 . . . . 36 GLY H . 16337 1 134 . 1 1 36 36 GLY C C 13 170.6 0.30 . 5 . . . . 36 GLY C . 16337 1 135 . 1 1 36 36 GLY CA C 13 43.4 0.30 . 1 . . . . 36 GLY CA . 16337 1 136 . 1 1 36 36 GLY N N 15 120.2 0.20 . 1 . . . . 36 GLY N . 16337 1 137 . 1 1 37 37 GLU H H 1 8.42 0.02 . 9 . . . . 37 GLU H . 16337 1 138 . 1 1 37 37 GLU CA C 13 56.9 0.30 . 4 . . . . 37 GLU CA . 16337 1 139 . 1 1 37 37 GLU CB C 13 40.4 0.30 . 9 . . . . 37 GLU CB . 16337 1 140 . 1 1 37 37 GLU N N 15 120.9 0.20 . 9 . . . . 37 GLU N . 16337 1 141 . 1 1 39 39 GLU C C 13 173.9 0.30 . 1 . . . . 39 GLU C . 16337 1 142 . 1 1 40 40 ASN H H 1 8.32 0.02 . 1 . . . . 40 ASN H . 16337 1 143 . 1 1 40 40 ASN C C 13 176.7 0.30 . 1 . . . . 40 ASN C . 16337 1 144 . 1 1 40 40 ASN CA C 13 50.8 0.30 . 1 . . . . 40 ASN CA . 16337 1 145 . 1 1 40 40 ASN CB C 13 40.1 0.30 . 9 . . . . 40 ASN CB . 16337 1 146 . 1 1 40 40 ASN N N 15 117.1 0.20 . 1 . . . . 40 ASN N . 16337 1 147 . 1 1 41 41 LEU H H 1 8.83 0.02 . 1 . . . . 41 LEU H . 16337 1 148 . 1 1 41 41 LEU C C 13 175.8 0.30 . 1 . . . . 41 LEU C . 16337 1 149 . 1 1 41 41 LEU CA C 13 52.0 0.30 . 1 . . . . 41 LEU CA . 16337 1 150 . 1 1 41 41 LEU CB C 13 44.0 0.30 . 1 . . . . 41 LEU CB . 16337 1 151 . 1 1 41 41 LEU N N 15 119.7 0.20 . 1 . . . . 41 LEU N . 16337 1 152 . 1 1 42 42 TYR H H 1 8.69 0.02 . 1 . . . . 42 TYR H . 16337 1 153 . 1 1 42 42 TYR C C 13 177.1 0.30 . 1 . . . . 42 TYR C . 16337 1 154 . 1 1 42 42 TYR CA C 13 57.2 0.30 . 1 . . . . 42 TYR CA . 16337 1 155 . 1 1 42 42 TYR CB C 13 41.4 0.30 . 1 . . . . 42 TYR CB . 16337 1 156 . 1 1 42 42 TYR N N 15 116.4 0.20 . 1 . . . . 42 TYR N . 16337 1 157 . 1 1 43 43 LEU H H 1 9.04 0.02 . 1 . . . . 43 LEU H . 16337 1 158 . 1 1 43 43 LEU C C 13 176.8 0.30 . 1 . . . . 43 LEU C . 16337 1 159 . 1 1 43 43 LEU CA C 13 52.3 0.30 . 1 . . . . 43 LEU CA . 16337 1 160 . 1 1 43 43 LEU CB C 13 45.3 0.30 . 1 . . . . 43 LEU CB . 16337 1 161 . 1 1 43 43 LEU N N 15 126.2 0.20 . 1 . . . . 43 LEU N . 16337 1 162 . 1 1 44 44 LYS H H 1 9.55 0.02 . 1 . . . . 44 LYS H . 16337 1 163 . 1 1 44 44 LYS C C 13 175.3 0.30 . 1 . . . . 44 LYS C . 16337 1 164 . 1 1 44 44 LYS CA C 13 54.4 0.30 . 1 . . . . 44 LYS CA . 16337 1 165 . 1 1 44 44 LYS CB C 13 36.3 0.30 . 4 . . . . 44 LYS CB . 16337 1 166 . 1 1 44 44 LYS N N 15 127.9 0.20 . 1 . . . . 44 LYS N . 16337 1 167 . 1 1 45 45 MET H H 1 9.22 0.02 . 1 . . . . 45 MET H . 16337 1 168 . 1 1 45 45 MET C C 13 174.0 0.30 . 1 . . . . 45 MET C . 16337 1 169 . 1 1 45 45 MET CA C 13 54.4 0.30 . 1 . . . . 45 MET CA . 16337 1 170 . 1 1 45 45 MET CB C 13 37.5 0.30 . 1 . . . . 45 MET CB . 16337 1 171 . 1 1 45 45 MET N N 15 123.3 0.20 . 1 . . . . 45 MET N . 16337 1 172 . 1 1 46 46 THR H H 1 9.39 0.02 . 1 . . . . 46 THR H . 16337 1 173 . 1 1 46 46 THR C C 13 176.6 0.30 . 1 . . . . 46 THR C . 16337 1 174 . 1 1 46 46 THR CA C 13 59.3 0.30 . 1 . . . . 46 THR CA . 16337 1 175 . 1 1 46 46 THR CB C 13 72.0 0.30 . 1 . . . . 46 THR CB . 16337 1 176 . 1 1 46 46 THR N N 15 112.6 0.20 . 1 . . . . 46 THR N . 16337 1 177 . 1 1 47 47 ASP H H 1 7.70 0.02 . 1 . . . . 47 ASP H . 16337 1 178 . 1 1 47 47 ASP C C 13 173.8 0.30 . 1 . . . . 47 ASP C . 16337 1 179 . 1 1 47 47 ASP CA C 13 52.0 0.30 . 1 . . . . 47 ASP CA . 16337 1 180 . 1 1 47 47 ASP CB C 13 39.1 0.30 . 1 . . . . 47 ASP CB . 16337 1 181 . 1 1 47 47 ASP N N 15 115.9 0.20 . 1 . . . . 47 ASP N . 16337 1 182 . 1 1 48 48 SER H H 1 7.40 0.02 . 1 . . . . 48 SER H . 16337 1 183 . 1 1 48 48 SER C C 13 173.5 0.30 . 1 . . . . 48 SER C . 16337 1 184 . 1 1 48 48 SER CA C 13 60.8 0.30 . 1 . . . . 48 SER CA . 16337 1 185 . 1 1 48 48 SER CB C 13 67.8 0.30 . 1 . . . . 48 SER CB . 16337 1 186 . 1 1 48 48 SER N N 15 123.2 0.20 . 1 . . . . 48 SER N . 16337 1 187 . 1 1 49 49 ARG H H 1 8.68 0.02 . 1 . . . . 49 ARG H . 16337 1 188 . 1 1 49 49 ARG C C 13 172.4 0.30 . 1 . . . . 49 ARG C . 16337 1 189 . 1 1 49 49 ARG CA C 13 58.3 0.30 . 1 . . . . 49 ARG CA . 16337 1 190 . 1 1 49 49 ARG CB C 13 28.6 0.30 . 1 . . . . 49 ARG CB . 16337 1 191 . 1 1 49 49 ARG N N 15 123.6 0.20 . 1 . . . . 49 ARG N . 16337 1 192 . 1 1 50 50 TYR H H 1 7.59 0.02 . 1 . . . . 50 TYR H . 16337 1 193 . 1 1 50 50 TYR C C 13 174.5 0.30 . 1 . . . . 50 TYR C . 16337 1 194 . 1 1 50 50 TYR CA C 13 57.3 0.30 . 1 . . . . 50 TYR CA . 16337 1 195 . 1 1 50 50 TYR CB C 13 37.5 0.30 . 1 . . . . 50 TYR CB . 16337 1 196 . 1 1 50 50 TYR N N 15 113.2 0.20 . 1 . . . . 50 TYR N . 16337 1 197 . 1 1 51 51 LYS H H 1 7.30 0.02 . 1 . . . . 51 LYS H . 16337 1 198 . 1 1 51 51 LYS C C 13 172.6 0.30 . 1 . . . . 51 LYS C . 16337 1 199 . 1 1 51 51 LYS CA C 13 57.3 0.30 . 1 . . . . 51 LYS CA . 16337 1 200 . 1 1 51 51 LYS CB C 13 31.2 0.30 . 1 . . . . 51 LYS CB . 16337 1 201 . 1 1 51 51 LYS N N 15 125.6 0.20 . 1 . . . . 51 LYS N . 16337 1 202 . 1 1 52 52 GLY H H 1 10.0 0.02 . 1 . . . . 52 GLY H . 16337 1 203 . 1 1 52 52 GLY C C 13 174.3 0.30 . 5 . . . . 52 GLY C . 16337 1 204 . 1 1 52 52 GLY CA C 13 45.4 0.30 . 1 . . . . 52 GLY CA . 16337 1 205 . 1 1 52 52 GLY N N 15 115.9 0.20 . 1 . . . . 52 GLY N . 16337 1 206 . 1 1 53 53 THR H H 1 7.79 0.02 . 9 . . . . 53 THR H . 16337 1 207 . 1 1 53 53 THR C C 13 173.3 0.30 . 9 . . . . 53 THR C . 16337 1 208 . 1 1 53 53 THR CA C 13 58.2 0.30 . 9 . . . . 53 THR CA . 16337 1 209 . 1 1 53 53 THR CB C 13 73.0 0.30 . 5 . . . . 53 THR CB . 16337 1 210 . 1 1 53 53 THR N N 15 110.9 0.20 . 9 . . . . 53 THR N . 16337 1 211 . 1 1 54 54 THR H H 1 7.68 0.02 . 1 . . . . 54 THR H . 16337 1 212 . 1 1 54 54 THR C C 13 176.2 0.30 . 1 . . . . 54 THR C . 16337 1 213 . 1 1 54 54 THR CA C 13 52.8 0.30 . 9 . . . . 54 THR CA . 16337 1 214 . 1 1 54 54 THR CB C 13 74.2 0.30 . 1 . . . . 54 THR CB . 16337 1 215 . 1 1 54 54 THR N N 15 120.4 0.20 . 1 . . . . 54 THR N . 16337 1 216 . 1 1 55 55 TYR H H 1 7.86 0.02 . 1 . . . . 55 TYR H . 16337 1 217 . 1 1 55 55 TYR C C 13 174.6 0.30 . 1 . . . . 55 TYR C . 16337 1 218 . 1 1 55 55 TYR CA C 13 57.3 0.30 . 1 . . . . 55 TYR CA . 16337 1 219 . 1 1 55 55 TYR CB C 13 38.7 0.30 . 1 . . . . 55 TYR CB . 16337 1 220 . 1 1 55 55 TYR N N 15 117.0 0.20 . 1 . . . . 55 TYR N . 16337 1 221 . 1 1 56 56 ASP H H 1 7.40 0.02 . 1 . . . . 56 ASP H . 16337 1 222 . 1 1 56 56 ASP C C 13 170.4 0.30 . 1 . . . . 56 ASP C . 16337 1 223 . 1 1 56 56 ASP CA C 13 53.5 0.30 . 1 . . . . 56 ASP CA . 16337 1 224 . 1 1 56 56 ASP CB C 13 41.0 0.30 . 1 . . . . 56 ASP CB . 16337 1 225 . 1 1 56 56 ASP N N 15 119.5 0.20 . 1 . . . . 56 ASP N . 16337 1 226 . 1 1 57 57 VAL H H 1 8.47 0.02 . 1 . . . . 57 VAL H . 16337 1 227 . 1 1 57 57 VAL C C 13 173.5 0.30 . 5 . . . . 57 VAL C . 16337 1 228 . 1 1 57 57 VAL CA C 13 64.3 0.30 . 1 . . . . 57 VAL CA . 16337 1 229 . 1 1 57 57 VAL N N 15 127.8 0.20 . 1 . . . . 57 VAL N . 16337 1 230 . 1 1 58 58 GLU H H 1 9.08 0.02 . 1 . . . . 58 GLU H . 16337 1 231 . 1 1 58 58 GLU C C 13 172.7 0.30 . 1 . . . . 58 GLU C . 16337 1 232 . 1 1 58 58 GLU CA C 13 59.5 0.30 . 1 . . . . 58 GLU CA . 16337 1 233 . 1 1 58 58 GLU CB C 13 30.4 0.30 . 4 . . . . 58 GLU CB . 16337 1 234 . 1 1 58 58 GLU N N 15 124.5 0.20 . 1 . . . . 58 GLU N . 16337 1 235 . 1 1 59 59 ARG H H 1 7.22 0.02 . 1 . . . . 59 ARG H . 16337 1 236 . 1 1 59 59 ARG C C 13 172.2 0.30 . 1 . . . . 59 ARG C . 16337 1 237 . 1 1 59 59 ARG CA C 13 58.5 0.30 . 1 . . . . 59 ARG CA . 16337 1 238 . 1 1 59 59 ARG N N 15 117.3 0.20 . 1 . . . . 59 ARG N . 16337 1 239 . 1 1 60 60 GLU H H 1 6.56 0.02 . 1 . . . . 60 GLU H . 16337 1 240 . 1 1 60 60 GLU C C 13 173.4 0.30 . 1 . . . . 60 GLU C . 16337 1 241 . 1 1 60 60 GLU CA C 13 59.5 0.30 . 1 . . . . 60 GLU CA . 16337 1 242 . 1 1 60 60 GLU CB C 13 28.4 0.30 . 1 . . . . 60 GLU CB . 16337 1 243 . 1 1 60 60 GLU N N 15 118.3 0.20 . 1 . . . . 60 GLU N . 16337 1 244 . 1 1 61 61 LYS H H 1 8.09 0.02 . 1 . . . . 61 LYS H . 16337 1 245 . 1 1 61 61 LYS C C 13 171.2 0.30 . 5 . . . . 61 LYS C . 16337 1 246 . 1 1 61 61 LYS CA C 13 59.5 0.30 . 1 . . . . 61 LYS CA . 16337 1 247 . 1 1 61 61 LYS CB C 13 27.2 0.30 . 1 . . . . 61 LYS CB . 16337 1 248 . 1 1 61 61 LYS N N 15 120.2 0.20 . 1 . . . . 61 LYS N . 16337 1 249 . 1 1 62 62 ASP H H 1 7.77 0.02 . 1 . . . . 62 ASP H . 16337 1 250 . 1 1 62 62 ASP CA C 13 57.4 0.30 . 1 . . . . 62 ASP CA . 16337 1 251 . 1 1 62 62 ASP CB C 13 40.9 0.30 . 4 . . . . 62 ASP CB . 16337 1 252 . 1 1 68 68 GLU C C 13 173.1 0.30 . 1 . . . . 68 GLU C . 16337 1 253 . 1 1 69 69 GLY H H 1 8.45 0.02 . 1 . . . . 69 GLY H . 16337 1 254 . 1 1 69 69 GLY C C 13 176.6 0.30 . 1 . . . . 69 GLY C . 16337 1 255 . 1 1 69 69 GLY CA C 13 45.4 0.30 . 1 . . . . 69 GLY CA . 16337 1 256 . 1 1 69 69 GLY N N 15 109.9 0.20 . 1 . . . . 69 GLY N . 16337 1 257 . 1 1 70 70 LYS H H 1 8.59 0.02 . 1 . . . . 70 LYS H . 16337 1 258 . 1 1 70 70 LYS C C 13 174.8 0.30 . 1 . . . . 70 LYS C . 16337 1 259 . 1 1 70 70 LYS CA C 13 56.8 0.30 . 1 . . . . 70 LYS CA . 16337 1 260 . 1 1 70 70 LYS CB C 13 33.8 0.30 . 1 . . . . 70 LYS CB . 16337 1 261 . 1 1 70 70 LYS N N 15 121.1 0.20 . 1 . . . . 70 LYS N . 16337 1 262 . 1 1 71 71 LEU H H 1 7.84 0.02 . 1 . . . . 71 LEU H . 16337 1 263 . 1 1 71 71 LEU CA C 13 51.1 0.30 . 1 . . . . 71 LEU CA . 16337 1 264 . 1 1 71 71 LEU CB C 13 45.2 0.30 . 1 . . . . 71 LEU CB . 16337 1 265 . 1 1 71 71 LEU N N 15 117.7 0.20 . 1 . . . . 71 LEU N . 16337 1 266 . 1 1 74 74 PRO C C 13 174.7 0.30 . 9 . . . . 74 PRO C . 16337 1 267 . 1 1 74 74 PRO CA C 13 62 0.30 . 1 . . . . 74 PRO CA . 16337 1 268 . 1 1 74 74 PRO CB C 13 36.5 0.30 . 1 . . . . 74 PRO CB . 16337 1 269 . 1 1 75 75 LYS H H 1 8.05 0.02 . 1 . . . . 75 LYS H . 16337 1 270 . 1 1 75 75 LYS C C 13 173.4 0.30 . 1 . . . . 75 LYS C . 16337 1 271 . 1 1 75 75 LYS CA C 13 54.3 0.30 . 1 . . . . 75 LYS CA . 16337 1 272 . 1 1 75 75 LYS CB C 13 32.9 0.30 . 1 . . . . 75 LYS CB . 16337 1 273 . 1 1 75 75 LYS N N 15 118.1 0.20 . 1 . . . . 75 LYS N . 16337 1 274 . 1 1 76 76 VAL H H 1 8.74 0.02 . 1 . . . . 76 VAL H . 16337 1 275 . 1 1 76 76 VAL C C 13 174.6 0.30 . 1 . . . . 76 VAL C . 16337 1 276 . 1 1 76 76 VAL CA C 13 63.1 0.30 . 1 . . . . 76 VAL CA . 16337 1 277 . 1 1 76 76 VAL CB C 13 31.1 0.30 . 1 . . . . 76 VAL CB . 16337 1 278 . 1 1 76 76 VAL N N 15 123.2 0.20 . 1 . . . . 76 VAL N . 16337 1 279 . 1 1 77 77 LEU H H 1 9.00 0.02 . 1 . . . . 77 LEU H . 16337 1 280 . 1 1 77 77 LEU C C 13 175.0 0.30 . 1 . . . . 77 LEU C . 16337 1 281 . 1 1 77 77 LEU CA C 13 55.2 0.30 . 1 . . . . 77 LEU CA . 16337 1 282 . 1 1 77 77 LEU CB C 13 41.5 0.30 . 1 . . . . 77 LEU CB . 16337 1 283 . 1 1 77 77 LEU N N 15 130.0 0.20 . 1 . . . . 77 LEU N . 16337 1 284 . 1 1 78 78 HIS H H 1 8.84 0.02 . 1 . . . . 78 HIS H . 16337 1 285 . 1 1 78 78 HIS C C 13 170.3 0.30 . 1 . . . . 78 HIS C . 16337 1 286 . 1 1 78 78 HIS CA C 13 58.2 0.30 . 1 . . . . 78 HIS CA . 16337 1 287 . 1 1 78 78 HIS N N 15 127.0 0.20 . 1 . . . . 78 HIS N . 16337 1 288 . 1 1 79 79 PHE H H 1 8.89 0.02 . 9 . . . . 79 PHE H . 16337 1 289 . 1 1 79 79 PHE CA C 13 57.2 0.30 . 9 . . . . 79 PHE CA . 16337 1 290 . 1 1 79 79 PHE CB C 13 40.9 0.30 . 4 . . . . 79 PHE CB . 16337 1 291 . 1 1 79 79 PHE N N 15 120.7 0.20 . 9 . . . . 79 PHE N . 16337 1 292 . 1 1 83 83 ASP C C 13 175.2 0.30 . 1 . . . . 83 ASP C . 16337 1 293 . 1 1 84 84 GLY H H 1 8.35 0.02 . 1 . . . . 84 GLY H . 16337 1 294 . 1 1 84 84 GLY C C 13 176.3 0.30 . 1 . . . . 84 GLY C . 16337 1 295 . 1 1 84 84 GLY CA C 13 44.9 0.30 . 1 . . . . 84 GLY CA . 16337 1 296 . 1 1 84 84 GLY N N 15 104.5 0.20 . 1 . . . . 84 GLY N . 16337 1 297 . 1 1 85 85 TRP H H 1 8.43 0.02 . 1 . . . . 85 TRP H . 16337 1 298 . 1 1 85 85 TRP C C 13 174.2 0.30 . 1 . . . . 85 TRP C . 16337 1 299 . 1 1 85 85 TRP CA C 13 57.0 0.30 . 1 . . . . 85 TRP CA . 16337 1 300 . 1 1 85 85 TRP CB C 13 28.5 0.30 . 1 . . . . 85 TRP CB . 16337 1 301 . 1 1 85 85 TRP N N 15 123.9 0.20 . 1 . . . . 85 TRP N . 16337 1 302 . 1 1 86 86 SER H H 1 9.31 0.02 . 1 . . . . 86 SER H . 16337 1 303 . 1 1 86 86 SER C C 13 179.3 0.30 . 1 . . . . 86 SER C . 16337 1 304 . 1 1 86 86 SER CA C 13 57.0 0.30 . 1 . . . . 86 SER CA . 16337 1 305 . 1 1 86 86 SER CB C 13 64.1 0.30 . 1 . . . . 86 SER CB . 16337 1 306 . 1 1 86 86 SER N N 15 119.9 0.20 . 1 . . . . 86 SER N . 16337 1 307 . 1 1 87 87 ASN H H 1 8.64 0.02 . 1 . . . . 87 ASN H . 16337 1 308 . 1 1 87 87 ASN C C 13 178.2 0.30 . 1 . . . . 87 ASN C . 16337 1 309 . 1 1 87 87 ASN CA C 13 51.9 0.30 . 1 . . . . 87 ASN CA . 16337 1 310 . 1 1 87 87 ASN CB C 13 40.3 0.30 . 1 . . . . 87 ASN CB . 16337 1 311 . 1 1 87 87 ASN N N 15 121.4 0.20 . 1 . . . . 87 ASN N . 16337 1 312 . 1 1 88 88 LEU H H 1 9.30 0.02 . 1 . . . . 88 LEU H . 16337 1 313 . 1 1 88 88 LEU C C 13 178.1 0.30 . 1 . . . . 88 LEU C . 16337 1 314 . 1 1 88 88 LEU CA C 13 53.3 0.30 . 1 . . . . 88 LEU CA . 16337 1 315 . 1 1 88 88 LEU CB C 13 46.0 0.30 . 1 . . . . 88 LEU CB . 16337 1 316 . 1 1 88 88 LEU N N 15 124.9 0.20 . 1 . . . . 88 LEU N . 16337 1 317 . 1 1 89 89 LEU H H 1 9.32 0.02 . 1 . . . . 89 LEU H . 16337 1 318 . 1 1 89 89 LEU C C 13 175.5 0.30 . 1 . . . . 89 LEU C . 16337 1 319 . 1 1 89 89 LEU CA C 13 52.9 0.30 . 1 . . . . 89 LEU CA . 16337 1 320 . 1 1 89 89 LEU CB C 13 45.0 0.30 . 4 . . . . 89 LEU CB . 16337 1 321 . 1 1 89 89 LEU N N 15 130.0 0.20 . 1 . . . . 89 LEU N . 16337 1 322 . 1 1 90 90 MET H H 1 9.80 0.02 . 1 . . . . 90 MET H . 16337 1 323 . 1 1 90 90 MET C C 13 176.6 0.30 . 1 . . . . 90 MET C . 16337 1 324 . 1 1 90 90 MET CA C 13 53.3 0.30 . 1 . . . . 90 MET CA . 16337 1 325 . 1 1 90 90 MET CB C 13 38.0 0.30 . 1 . . . . 90 MET CB . 16337 1 326 . 1 1 90 90 MET N N 15 126.6 0.20 . 1 . . . . 90 MET N . 16337 1 327 . 1 1 91 91 SER H H 1 8.23 0.02 . 1 . . . . 91 SER H . 16337 1 328 . 1 1 91 91 SER C C 13 178.8 0.30 . 1 . . . . 91 SER C . 16337 1 329 . 1 1 91 91 SER CA C 13 57.3 0.30 . 1 . . . . 91 SER CA . 16337 1 330 . 1 1 91 91 SER CB C 13 64.4 0.30 . 1 . . . . 91 SER CB . 16337 1 331 . 1 1 91 91 SER N N 15 114.7 0.20 . 1 . . . . 91 SER N . 16337 1 332 . 1 1 92 92 GLU H H 1 8.23 0.02 . 1 . . . . 92 GLU H . 16337 1 333 . 1 1 92 92 GLU C C 13 173.6 0.30 . 1 . . . . 92 GLU C . 16337 1 334 . 1 1 92 92 GLU CA C 13 55.1 0.30 . 1 . . . . 92 GLU CA . 16337 1 335 . 1 1 92 92 GLU CB C 13 30.8 0.30 . 1 . . . . 92 GLU CB . 16337 1 336 . 1 1 92 92 GLU N N 15 117.3 0.20 . 1 . . . . 92 GLU N . 16337 1 337 . 1 1 93 93 ALA H H 1 8.27 0.02 . 1 . . . . 93 ALA H . 16337 1 338 . 1 1 93 93 ALA C C 13 175.2 0.30 . 1 . . . . 93 ALA C . 16337 1 339 . 1 1 93 93 ALA CA C 13 51.1 0.30 . 1 . . . . 93 ALA CA . 16337 1 340 . 1 1 93 93 ALA CB C 13 16.2 0.30 . 1 . . . . 93 ALA CB . 16337 1 341 . 1 1 93 93 ALA N N 15 129.8 0.20 . 1 . . . . 93 ALA N . 16337 1 342 . 1 1 94 94 ASP H H 1 8.54 0.02 . 1 . . . . 94 ASP H . 16337 1 343 . 1 1 94 94 ASP C C 13 174.1 0.30 . 1 . . . . 94 ASP C . 16337 1 344 . 1 1 94 94 ASP CA C 13 53.4 0.30 . 1 . . . . 94 ASP CA . 16337 1 345 . 1 1 94 94 ASP CB C 13 42.0 0.30 . 1 . . . . 94 ASP CB . 16337 1 346 . 1 1 94 94 ASP N N 15 121.5 0.20 . 1 . . . . 94 ASP N . 16337 1 347 . 1 1 95 95 GLY H H 1 8.00 0.02 . 1 . . . . 95 GLY H . 16337 1 348 . 1 1 95 95 GLY C C 13 177.7 0.30 . 1 . . . . 95 GLY C . 16337 1 349 . 1 1 95 95 GLY CA C 13 43.5 0.30 . 1 . . . . 95 GLY CA . 16337 1 350 . 1 1 95 95 GLY N N 15 109.3 0.20 . 1 . . . . 95 GLY N . 16337 1 351 . 1 1 96 96 VAL H H 1 8.82 0.02 . 1 . . . . 96 VAL H . 16337 1 352 . 1 1 96 96 VAL C C 13 175.5 0.30 . 1 . . . . 96 VAL C . 16337 1 353 . 1 1 96 96 VAL CA C 13 59.5 0.30 . 1 . . . . 96 VAL CA . 16337 1 354 . 1 1 96 96 VAL CB C 13 34.4 0.30 . 4 . . . . 96 VAL CB . 16337 1 355 . 1 1 96 96 VAL N N 15 120.8 0.20 . 1 . . . . 96 VAL N . 16337 1 356 . 1 1 97 97 LEU H H 1 8.54 0.02 . 1 . . . . 97 LEU H . 16337 1 357 . 1 1 97 97 LEU C C 13 171.1 0.30 . 5 . . . . 97 LEU C . 16337 1 358 . 1 1 97 97 LEU CA C 13 54.7 0.30 . 1 . . . . 97 LEU CA . 16337 1 359 . 1 1 97 97 LEU CB C 13 42.1 0.30 . 1 . . . . 97 LEU CB . 16337 1 360 . 1 1 97 97 LEU N N 15 127.9 0.20 . 1 . . . . 97 LEU N . 16337 1 361 . 1 1 98 98 CYS H H 1 9.07 0.02 . 1 . . . . 98 CYS H . 16337 1 362 . 1 1 98 98 CYS C C 13 175.2 0.30 . 1 . . . . 98 CYS C . 16337 1 363 . 1 1 98 98 CYS CA C 13 62.1 0.30 . 1 . . . . 98 CYS CA . 16337 1 364 . 1 1 98 98 CYS CB C 13 26.0 0.30 . 4 . . . . 98 CYS CB . 16337 1 365 . 1 1 98 98 CYS N N 15 124.4 0.20 . 1 . . . . 98 CYS N . 16337 1 366 . 1 1 99 99 SER H H 1 7.48 0.02 . 1 . . . . 99 SER H . 16337 1 367 . 1 1 99 99 SER C C 13 175.0 0.30 . 1 . . . . 99 SER C . 16337 1 368 . 1 1 99 99 SER CA C 13 59.3 0.30 . 1 . . . . 99 SER CA . 16337 1 369 . 1 1 99 99 SER CB C 13 61.3 0.30 . 1 . . . . 99 SER CB . 16337 1 370 . 1 1 99 99 SER N N 15 111.6 0.20 . 1 . . . . 99 SER N . 16337 1 371 . 1 1 100 100 GLU H H 1 6.99 0.02 . 1 . . . . 100 GLU H . 16337 1 372 . 1 1 100 100 GLU C C 13 172.5 0.30 . 1 . . . . 100 GLU C . 16337 1 373 . 1 1 100 100 GLU CA C 13 57.0 0.30 . 1 . . . . 100 GLU CA . 16337 1 374 . 1 1 100 100 GLU CB C 13 29.1 0.30 . 1 . . . . 100 GLU CB . 16337 1 375 . 1 1 100 100 GLU N N 15 121.4 0.20 . 1 . . . . 100 GLU N . 16337 1 376 . 1 1 101 101 GLU H H 1 8.07 0.02 . 1 . . . . 101 GLU H . 16337 1 377 . 1 1 101 101 GLU C C 13 172.8 0.30 . 1 . . . . 101 GLU C . 16337 1 378 . 1 1 101 101 GLU CA C 13 57.6 0.30 . 1 . . . . 101 GLU CA . 16337 1 379 . 1 1 101 101 GLU CB C 13 28.6 0.30 . 1 . . . . 101 GLU CB . 16337 1 380 . 1 1 101 101 GLU N N 15 122.4 0.20 . 1 . . . . 101 GLU N . 16337 1 381 . 1 1 102 102 TYR H H 1 7.59 0.02 . 1 . . . . 102 TYR H . 16337 1 382 . 1 1 102 102 TYR C C 13 174.1 0.30 . 1 . . . . 102 TYR C . 16337 1 383 . 1 1 102 102 TYR CA C 13 56.1 0.30 . 1 . . . . 102 TYR CA . 16337 1 384 . 1 1 102 102 TYR CB C 13 36.4 0.30 . 1 . . . . 102 TYR CB . 16337 1 385 . 1 1 102 102 TYR N N 15 114.7 0.20 . 1 . . . . 102 TYR N . 16337 1 386 . 1 1 103 103 GLU H H 1 7.24 0.02 . 1 . . . . 103 GLU H . 16337 1 387 . 1 1 103 103 GLU C C 13 173.1 0.30 . 1 . . . . 103 GLU C . 16337 1 388 . 1 1 103 103 GLU CA C 13 58.2 0.30 . 1 . . . . 103 GLU CA . 16337 1 389 . 1 1 103 103 GLU CB C 13 28.8 0.30 . 1 . . . . 103 GLU CB . 16337 1 390 . 1 1 103 103 GLU N N 15 122.0 0.20 . 1 . . . . 103 GLU N . 16337 1 391 . 1 1 104 104 ASP H H 1 7.94 0.02 . 5 . . . . 104 ASP H . 16337 1 392 . 1 1 104 104 ASP C C 13 174.2 0.30 . 5 . . . . 104 ASP C . 16337 1 393 . 1 1 104 104 ASP CA C 13 52.0 0.30 . 5 . . . . 104 ASP CA . 16337 1 394 . 1 1 104 104 ASP CB C 13 38.3 0.30 . 5 . . . . 104 ASP CB . 16337 1 395 . 1 1 104 104 ASP N N 15 115.2 0.20 . 5 . . . . 104 ASP N . 16337 1 396 . 1 1 105 105 GLU H H 1 7.39 0.02 . 1 . . . . 105 GLU H . 16337 1 397 . 1 1 105 105 GLU C C 13 169.5 0.30 . 1 . . . . 105 GLU C . 16337 1 398 . 1 1 105 105 GLU CA C 13 54.5 0.30 . 1 . . . . 105 GLU CA . 16337 1 399 . 1 1 105 105 GLU CB C 13 28.9 0.30 . 1 . . . . 105 GLU CB . 16337 1 400 . 1 1 105 105 GLU N N 15 124.9 0.20 . 1 . . . . 105 GLU N . 16337 1 401 . 1 1 106 106 GLN H H 1 8.02 0.02 . 1 . . . . 106 GLN H . 16337 1 402 . 1 1 106 106 GLN C C 13 172.2 0.30 . 1 . . . . 106 GLN C . 16337 1 403 . 1 1 106 106 GLN CA C 13 58.3 0.30 . 1 . . . . 106 GLN CA . 16337 1 404 . 1 1 106 106 GLN CB C 13 28.1 0.30 . 1 . . . . 106 GLN CB . 16337 1 405 . 1 1 106 106 GLN N N 15 120.9 0.20 . 1 . . . . 106 GLN N . 16337 1 406 . 1 1 107 107 SER H H 1 7.87 0.02 . 1 . . . . 107 SER H . 16337 1 407 . 1 1 107 107 SER CA C 13 64.5 0.30 . 1 . . . . 107 SER CA . 16337 1 408 . 1 1 107 107 SER CB C 13 68.9 0.30 . 1 . . . . 107 SER CB . 16337 1 409 . 1 1 107 107 SER N N 15 113.5 0.20 . 1 . . . . 107 SER N . 16337 1 410 . 1 1 108 108 PRO C C 13 174.2 0.30 . 1 . . . . 108 PRO C . 16337 1 411 . 1 1 108 108 PRO CA C 13 64.8 0.30 . 1 . . . . 108 PRO CA . 16337 1 412 . 1 1 109 109 GLU H H 1 7.90 0.02 . 1 . . . . 109 GLU H . 16337 1 413 . 1 1 109 109 GLU C C 13 176.1 0.30 . 1 . . . . 109 GLU C . 16337 1 414 . 1 1 109 109 GLU CA C 13 54.5 0.30 . 1 . . . . 109 GLU CA . 16337 1 415 . 1 1 109 109 GLU CB C 13 26.6 0.30 . 1 . . . . 109 GLU CB . 16337 1 416 . 1 1 109 109 GLU N N 15 121.0 0.20 . 1 . . . . 109 GLU N . 16337 1 417 . 1 1 110 110 LYS H H 1 6.30 0.02 . 1 . . . . 110 LYS H . 16337 1 418 . 1 1 110 110 LYS CA C 13 54.2 0.30 . 1 . . . . 110 LYS CA . 16337 1 419 . 1 1 110 110 LYS CB C 13 32.3 0.30 . 1 . . . . 110 LYS CB . 16337 1 420 . 1 1 110 110 LYS N N 15 119.6 0.20 . 1 . . . . 110 LYS N . 16337 1 421 . 1 1 111 111 ILE C C 13 176.1 0.30 . 1 . . . . 111 ILE C . 16337 1 422 . 1 1 112 112 ILE H H 1 7.47 0.02 . 1 . . . . 112 ILE H . 16337 1 423 . 1 1 112 112 ILE C C 13 173.2 0.30 . 1 . . . . 112 ILE C . 16337 1 424 . 1 1 112 112 ILE CA C 13 61.8 0.30 . 1 . . . . 112 ILE CA . 16337 1 425 . 1 1 112 112 ILE N N 15 116.9 0.20 . 1 . . . . 112 ILE N . 16337 1 426 . 1 1 113 113 GLU H H 1 7.76 0.02 . 1 . . . . 113 GLU H . 16337 1 427 . 1 1 113 113 GLU C C 13 172.9 0.30 . 5 . . . . 113 GLU C . 16337 1 428 . 1 1 113 113 GLU CA C 13 59.5 0.30 . 1 . . . . 113 GLU CA . 16337 1 429 . 1 1 113 113 GLU CB C 13 29.0 0.30 . 1 . . . . 113 GLU CB . 16337 1 430 . 1 1 113 113 GLU N N 15 117.7 0.20 . 1 . . . . 113 GLU N . 16337 1 431 . 1 1 114 114 LEU H H 1 7.77 0.02 . 1 . . . . 114 LEU H . 16337 1 432 . 1 1 114 114 LEU C C 13 172.7 0.30 . 1 . . . . 114 LEU C . 16337 1 433 . 1 1 114 114 LEU CA C 13 57.4 0.30 . 1 . . . . 114 LEU CA . 16337 1 434 . 1 1 114 114 LEU CB C 13 40.9 0.30 . 4 . . . . 114 LEU CB . 16337 1 435 . 1 1 114 114 LEU N N 15 119.9 0.20 . 1 . . . . 114 LEU N . 16337 1 436 . 1 1 115 115 TYR H H 1 7.20 0.02 . 1 . . . . 115 TYR H . 16337 1 437 . 1 1 115 115 TYR C C 13 173.8 0.30 . 1 . . . . 115 TYR C . 16337 1 438 . 1 1 115 115 TYR CA C 13 60.8 0.30 . 1 . . . . 115 TYR CA . 16337 1 439 . 1 1 115 115 TYR CB C 13 36.6 0.30 . 1 . . . . 115 TYR CB . 16337 1 440 . 1 1 115 115 TYR N N 15 118.8 0.20 . 1 . . . . 115 TYR N . 16337 1 441 . 1 1 116 116 ALA H H 1 8.47 0.02 . 1 . . . . 116 ALA H . 16337 1 442 . 1 1 116 116 ALA CA C 13 59.3 0.30 . 1 . . . . 116 ALA CA . 16337 1 443 . 1 1 116 116 ALA CB C 13 20.5 0.30 . 1 . . . . 116 ALA CB . 16337 1 444 . 1 1 116 116 ALA N N 15 120.2 0.20 . 1 . . . . 116 ALA N . 16337 1 445 . 1 1 117 117 GLU H H 1 8.50 0.02 . 9 . . . . 117 GLU H . 16337 1 446 . 1 1 117 117 GLU C C 13 172.6 0.30 . 9 . . . . 117 GLU C . 16337 1 447 . 1 1 117 117 GLU CA C 13 55.3 0.30 . 9 . . . . 117 GLU CA . 16337 1 448 . 1 1 117 117 GLU CB C 13 32.3 0.30 . 9 . . . . 117 GLU CB . 16337 1 449 . 1 1 117 117 GLU N N 15 120.4 0.20 . 9 . . . . 117 GLU N . 16337 1 450 . 1 1 118 118 CYS H H 1 7.55 0.02 . 9 . . . . 118 CYS H . 16337 1 451 . 1 1 118 118 CYS C C 13 171.3 0.30 . 9 . . . . 118 CYS C . 16337 1 452 . 1 1 118 118 CYS CA C 13 58.1 0.30 . 9 . . . . 118 CYS CA . 16337 1 453 . 1 1 118 118 CYS CB C 13 28.5 0.30 . 9 . . . . 118 CYS CB . 16337 1 454 . 1 1 118 118 CYS N N 15 116.0 0.20 . 9 . . . . 118 CYS N . 16337 1 455 . 1 1 119 119 ILE H H 1 7.22 0.02 . 1 . . . . 119 ILE H . 16337 1 456 . 1 1 119 119 ILE C C 13 172.1 0.30 . 1 . . . . 119 ILE C . 16337 1 457 . 1 1 119 119 ILE CA C 13 63.0 0.30 . 1 . . . . 119 ILE CA . 16337 1 458 . 1 1 119 119 ILE CB C 13 36.0 0.30 . 1 . . . . 119 ILE CB . 16337 1 459 . 1 1 119 119 ILE N N 15 120.4 0.20 . 1 . . . . 119 ILE N . 16337 1 460 . 1 1 120 120 ARG H H 1 8.39 0.02 . 1 . . . . 120 ARG H . 16337 1 461 . 1 1 120 120 ARG C C 13 174.9 0.30 . 1 . . . . 120 ARG C . 16337 1 462 . 1 1 120 120 ARG CA C 13 57.1 0.30 . 1 . . . . 120 ARG CA . 16337 1 463 . 1 1 120 120 ARG CB C 13 39.8 0.30 . 1 . . . . 120 ARG CB . 16337 1 464 . 1 1 120 120 ARG N N 15 122.7 0.20 . 1 . . . . 120 ARG N . 16337 1 465 . 1 1 121 121 LEU H H 1 8.34 0.02 . 1 . . . . 121 LEU H . 16337 1 466 . 1 1 121 121 LEU C C 13 173.9 0.30 . 1 . . . . 121 LEU C . 16337 1 467 . 1 1 121 121 LEU CA C 13 54.7 0.30 . 1 . . . . 121 LEU CA . 16337 1 468 . 1 1 121 121 LEU CB C 13 42.7 0.30 . 1 . . . . 121 LEU CB . 16337 1 469 . 1 1 121 121 LEU N N 15 115.7 0.20 . 1 . . . . 121 LEU N . 16337 1 470 . 1 1 122 122 PHE H H 1 6.99 0.02 . 1 . . . . 122 PHE H . 16337 1 471 . 1 1 122 122 PHE CA C 13 58.3 0.30 . 1 . . . . 122 PHE CA . 16337 1 472 . 1 1 122 122 PHE CB C 13 28.1 0.30 . 1 . . . . 122 PHE CB . 16337 1 473 . 1 1 122 122 PHE N N 15 122.9 0.20 . 1 . . . . 122 PHE N . 16337 1 474 . 1 1 123 123 HIS C C 13 175.0 0.30 . 1 . . . . 123 HIS C . 16337 1 475 . 1 1 124 124 SER H H 1 7.79 0.02 . 1 . . . . 124 SER H . 16337 1 476 . 1 1 124 124 SER C C 13 176.3 0.30 . 1 . . . . 124 SER C . 16337 1 477 . 1 1 124 124 SER CA C 13 59.0 0.30 . 1 . . . . 124 SER CA . 16337 1 478 . 1 1 124 124 SER CB C 13 63.8 0.30 . 1 . . . . 124 SER CB . 16337 1 479 . 1 1 124 124 SER N N 15 114.4 0.20 . 1 . . . . 124 SER N . 16337 1 480 . 1 1 125 125 ILE H H 1 7.19 0.02 . 1 . . . . 125 ILE H . 16337 1 481 . 1 1 125 125 ILE C C 13 174.7 0.30 . 1 . . . . 125 ILE C . 16337 1 482 . 1 1 125 125 ILE CA C 13 59.9 0.30 . 1 . . . . 125 ILE CA . 16337 1 483 . 1 1 125 125 ILE CB C 13 36.6 0.30 . 1 . . . . 125 ILE CB . 16337 1 484 . 1 1 125 125 ILE N N 15 123.7 0.20 . 1 . . . . 125 ILE N . 16337 1 485 . 1 1 126 126 ASP H H 1 8.67 0.02 . 1 . . . . 126 ASP H . 16337 1 486 . 1 1 126 126 ASP C C 13 173.4 0.30 . 1 . . . . 126 ASP C . 16337 1 487 . 1 1 126 126 ASP CA C 13 53.4 0.30 . 1 . . . . 126 ASP CA . 16337 1 488 . 1 1 126 126 ASP CB C 13 39.9 0.30 . 1 . . . . 126 ASP CB . 16337 1 489 . 1 1 126 126 ASP N N 15 128.6 0.20 . 1 . . . . 126 ASP N . 16337 1 490 . 1 1 127 127 ILE H H 1 8.26 0.02 . 1 . . . . 127 ILE H . 16337 1 491 . 1 1 127 127 ILE C C 13 172.8 0.30 . 1 . . . . 127 ILE C . 16337 1 492 . 1 1 127 127 ILE CA C 13 60.5 0.30 . 1 . . . . 127 ILE CA . 16337 1 493 . 1 1 127 127 ILE CB C 13 36.2 0.30 . 4 . . . . 127 ILE CB . 16337 1 494 . 1 1 127 127 ILE N N 15 118.0 0.20 . 1 . . . . 127 ILE N . 16337 1 495 . 1 1 128 128 SER H H 1 8.96 0.02 . 1 . . . . 128 SER H . 16337 1 496 . 1 1 128 128 SER C C 13 175.7 0.30 . 1 . . . . 128 SER C . 16337 1 497 . 1 1 128 128 SER CA C 13 62.2 0.30 . 1 . . . . 128 SER CA . 16337 1 498 . 1 1 128 128 SER CB C 13 61.4 0.30 . 1 . . . . 128 SER CB . 16337 1 499 . 1 1 128 128 SER N N 15 122.0 0.20 . 1 . . . . 128 SER N . 16337 1 500 . 1 1 129 129 ASP H H 1 7.99 0.02 . 1 . . . . 129 ASP H . 16337 1 501 . 1 1 129 129 ASP C C 13 175.4 0.30 . 1 . . . . 129 ASP C . 16337 1 502 . 1 1 129 129 ASP CA C 13 51.3 0.30 . 1 . . . . 129 ASP CA . 16337 1 503 . 1 1 129 129 ASP CB C 13 39.5 0.30 . 1 . . . . 129 ASP CB . 16337 1 504 . 1 1 129 129 ASP N N 15 119.0 0.20 . 1 . . . . 129 ASP N . 16337 1 505 . 1 1 130 130 CYS H H 1 6.78 0.02 . 1 . . . . 130 CYS H . 16337 1 506 . 1 1 130 130 CYS CA C 13 55.9 0.30 . 1 . . . . 130 CYS CA . 16337 1 507 . 1 1 130 130 CYS CB C 13 26.6 0.30 . 1 . . . . 130 CYS CB . 16337 1 508 . 1 1 130 130 CYS N N 15 121.3 0.20 . 1 . . . . 130 CYS N . 16337 1 509 . 1 1 131 131 PRO C C 13 174.6 0.30 . 1 . . . . 131 PRO C . 16337 1 510 . 1 1 131 131 PRO CA C 13 56.9 0.30 . 9 . . . . 131 PRO CA . 16337 1 511 . 1 1 131 131 PRO CB C 13 32.2 0.30 . 1 . . . . 131 PRO CB . 16337 1 512 . 1 1 132 132 TYR H H 1 8.53 0.02 . 9 . . . . 132 TYR H . 16337 1 513 . 1 1 132 132 TYR C C 13 173.8 0.30 . 9 . . . . 132 TYR C . 16337 1 514 . 1 1 132 132 TYR CA C 13 53.6 0.30 . 9 . . . . 132 TYR CA . 16337 1 515 . 1 1 132 132 TYR CB C 13 41.4 0.30 . 9 . . . . 132 TYR CB . 16337 1 516 . 1 1 132 132 TYR N N 15 126.9 0.20 . 9 . . . . 132 TYR N . 16337 1 517 . 1 1 133 133 THR H H 1 8.28 0.02 . 1 . . . . 133 THR H . 16337 1 518 . 1 1 133 133 THR C C 13 177.6 0.30 . 1 . . . . 133 THR C . 16337 1 519 . 1 1 133 133 THR CA C 13 61.5 0.30 . 1 . . . . 133 THR CA . 16337 1 520 . 1 1 133 133 THR CB C 13 68.8 0.30 . 1 . . . . 133 THR CB . 16337 1 521 . 1 1 133 133 THR N N 15 116.3 0.20 . 1 . . . . 133 THR N . 16337 1 522 . 1 1 134 134 ASN H H 1 9.40 0.02 . 1 . . . . 134 ASN H . 16337 1 523 . 1 1 134 134 ASN C C 13 175.7 0.30 . 1 . . . . 134 ASN C . 16337 1 524 . 1 1 134 134 ASN CA C 13 50.7 0.30 . 1 . . . . 134 ASN CA . 16337 1 525 . 1 1 134 134 ASN CB C 13 36.9 0.30 . 1 . . . . 134 ASN CB . 16337 1 526 . 1 1 134 134 ASN N N 15 133.2 0.20 . 1 . . . . 134 ASN N . 16337 1 527 . 1 1 135 135 SER H H 1 6.69 0.02 . 1 . . . . 135 SER H . 16337 1 528 . 1 1 135 135 SER C C 13 175.2 0.30 . 1 . . . . 135 SER C . 16337 1 529 . 1 1 135 135 SER CA C 13 56.2 0.30 . 1 . . . . 135 SER CA . 16337 1 530 . 1 1 135 135 SER CB C 13 63.7 0.30 . 1 . . . . 135 SER CB . 16337 1 531 . 1 1 135 135 SER N N 15 111.8 0.20 . 1 . . . . 135 SER N . 16337 1 532 . 1 1 136 136 LEU H H 1 10.40 0.02 . 1 . . . . 136 LEU H . 16337 1 533 . 1 1 136 136 LEU C C 13 171.3 0.30 . 1 . . . . 136 LEU C . 16337 1 534 . 1 1 136 136 LEU CA C 13 58.3 0.30 . 1 . . . . 136 LEU CA . 16337 1 535 . 1 1 136 136 LEU CB C 13 41.0 0.30 . 1 . . . . 136 LEU CB . 16337 1 536 . 1 1 136 136 LEU N N 15 125.3 0.20 . 1 . . . . 136 LEU N . 16337 1 537 . 1 1 137 137 ASP H H 1 9.10 0.02 . 9 . . . . 137 ASP H . 16337 1 538 . 1 1 137 137 ASP C C 13 171.0 0.30 . 9 . . . . 137 ASP C . 16337 1 539 . 1 1 137 137 ASP CA C 13 57.4 0.30 . 9 . . . . 137 ASP CA . 16337 1 540 . 1 1 137 137 ASP CB C 13 39.3 0.30 . 9 . . . . 137 ASP CB . 16337 1 541 . 1 1 137 137 ASP N N 15 118.5 0.20 . 9 . . . . 137 ASP N . 16337 1 542 . 1 1 138 138 SER H H 1 7.62 0.02 . 1 . . . . 138 SER H . 16337 1 543 . 1 1 138 138 SER C C 13 173.4 0.30 . 1 . . . . 138 SER C . 16337 1 544 . 1 1 138 138 SER CA C 13 60.8 0.30 . 1 . . . . 138 SER CA . 16337 1 545 . 1 1 138 138 SER CB C 13 62.3 0.30 . 1 . . . . 138 SER CB . 16337 1 546 . 1 1 138 138 SER N N 15 116.7 0.20 . 1 . . . . 138 SER N . 16337 1 547 . 1 1 139 139 ARG H H 1 9.33 0.02 . 1 . . . . 139 ARG H . 16337 1 548 . 1 1 139 139 ARG C C 13 170.3 0.30 . 1 . . . . 139 ARG C . 16337 1 549 . 1 1 139 139 ARG CA C 13 57.0 0.30 . 1 . . . . 139 ARG CA . 16337 1 550 . 1 1 139 139 ARG CB C 13 39.4 0.30 . 1 . . . . 139 ARG CB . 16337 1 551 . 1 1 139 139 ARG N N 15 117.8 0.20 . 1 . . . . 139 ARG N . 16337 1 552 . 1 1 140 140 LEU H H 1 7.53 0.02 . 1 . . . . 140 LEU H . 16337 1 553 . 1 1 140 140 LEU C C 13 175.8 0.30 . 1 . . . . 140 LEU C . 16337 1 554 . 1 1 140 140 LEU CA C 13 55.2 0.30 . 1 . . . . 140 LEU CA . 16337 1 555 . 1 1 140 140 LEU CB C 13 42.3 0.30 . 1 . . . . 140 LEU CB . 16337 1 556 . 1 1 140 140 LEU N N 15 117.7 0.20 . 1 . . . . 140 LEU N . 16337 1 557 . 1 1 141 141 ALA H H 1 7.97 0.02 . 1 . . . . 141 ALA H . 16337 1 558 . 1 1 141 141 ALA C C 13 176.7 0.30 . 1 . . . . 141 ALA C . 16337 1 559 . 1 1 141 141 ALA CA C 13 53.6 0.30 . 1 . . . . 141 ALA CA . 16337 1 560 . 1 1 141 141 ALA CB C 13 18.9 0.30 . 1 . . . . 141 ALA CB . 16337 1 561 . 1 1 141 141 ALA N N 15 131.4 0.20 . 1 . . . . 141 ALA N . 16337 1 562 . 1 1 142 142 GLU H H 1 7.23 0.02 . 1 . . . . 142 GLU H . 16337 1 563 . 1 1 142 142 GLU C C 13 175.6 0.30 . 1 . . . . 142 GLU C . 16337 1 564 . 1 1 142 142 GLU CA C 13 55.0 0.30 . 1 . . . . 142 GLU CA . 16337 1 565 . 1 1 142 142 GLU CB C 13 30.1 0.30 . 1 . . . . 142 GLU CB . 16337 1 566 . 1 1 142 142 GLU N N 15 115.3 0.20 . 1 . . . . 142 GLU N . 16337 1 567 . 1 1 143 143 LEU H H 1 8.27 0.02 . 1 . . . . 143 LEU H . 16337 1 568 . 1 1 143 143 LEU C C 13 174.5 0.30 . 1 . . . . 143 LEU C . 16337 1 569 . 1 1 143 143 LEU CA C 13 55.5 0.30 . 1 . . . . 143 LEU CA . 16337 1 570 . 1 1 143 143 LEU CB C 13 30.5 0.30 . 9 . . . . 143 LEU CB . 16337 1 571 . 1 1 143 143 LEU N N 15 122.7 0.20 . 1 . . . . 143 LEU N . 16337 1 572 . 1 1 144 144 ASP H H 1 10.40 0.02 . 1 . . . . 144 ASP H . 16337 1 573 . 1 1 144 144 ASP C C 13 173.2 0.30 . 1 . . . . 144 ASP C . 16337 1 574 . 1 1 144 144 ASP CA C 13 54.9 0.30 . 1 . . . . 144 ASP CA . 16337 1 575 . 1 1 144 144 ASP CB C 13 34.1 0.30 . 1 . . . . 144 ASP CB . 16337 1 576 . 1 1 144 144 ASP N N 15 128.3 0.20 . 1 . . . . 144 ASP N . 16337 1 577 . 1 1 145 145 TYR H H 1 7.14 0.02 . 1 . . . . 145 TYR H . 16337 1 578 . 1 1 145 145 TYR C C 13 172.1 0.30 . 1 . . . . 145 TYR C . 16337 1 579 . 1 1 145 145 TYR CA C 13 60.9 0.30 . 1 . . . . 145 TYR CA . 16337 1 580 . 1 1 145 145 TYR CB C 13 40.3 0.30 . 1 . . . . 145 TYR CB . 16337 1 581 . 1 1 145 145 TYR N N 15 122.4 0.20 . 1 . . . . 145 TYR N . 16337 1 582 . 1 1 146 146 LEU H H 1 8.77 0.02 . 1 . . . . 146 LEU H . 16337 1 583 . 1 1 146 146 LEU C C 13 172.1 0.30 . 1 . . . . 146 LEU C . 16337 1 584 . 1 1 146 146 LEU CA C 13 58.0 0.30 . 1 . . . . 146 LEU CA . 16337 1 585 . 1 1 146 146 LEU CB C 13 40.0 0.30 . 1 . . . . 146 LEU CB . 16337 1 586 . 1 1 146 146 LEU N N 15 121.6 0.20 . 1 . . . . 146 LEU N . 16337 1 587 . 1 1 147 147 LEU H H 1 8.53 0.02 . 1 . . . . 147 LEU H . 16337 1 588 . 1 1 147 147 LEU C C 13 171.1 0.30 . 1 . . . . 147 LEU C . 16337 1 589 . 1 1 147 147 LEU CA C 13 57.0 0.30 . 1 . . . . 147 LEU CA . 16337 1 590 . 1 1 147 147 LEU N N 15 122.8 0.20 . 1 . . . . 147 LEU N . 16337 1 591 . 1 1 148 148 ASN H H 1 7.98 0.02 . 1 . . . . 148 ASN H . 16337 1 592 . 1 1 148 148 ASN C C 13 175.0 0.30 . 1 . . . . 148 ASN C . 16337 1 593 . 1 1 148 148 ASN CA C 13 54.6 0.30 . 1 . . . . 148 ASN CA . 16337 1 594 . 1 1 148 148 ASN CB C 13 37.7 0.30 . 1 . . . . 148 ASN CB . 16337 1 595 . 1 1 148 148 ASN N N 15 117.2 0.20 . 1 . . . . 148 ASN N . 16337 1 596 . 1 1 149 149 ASN H H 1 7.13 0.02 . 1 . . . . 149 ASN H . 16337 1 597 . 1 1 149 149 ASN C C 13 178.1 0.30 . 1 . . . . 149 ASN C . 16337 1 598 . 1 1 149 149 ASN CA C 13 53.1 0.30 . 1 . . . . 149 ASN CA . 16337 1 599 . 1 1 149 149 ASN CB C 13 38.7 0.30 . 1 . . . . 149 ASN CB . 16337 1 600 . 1 1 149 149 ASN N N 15 116.3 0.20 . 1 . . . . 149 ASN N . 16337 1 601 . 1 1 150 150 ASP H H 1 7.52 0.02 . 1 . . . . 150 ASP H . 16337 1 602 . 1 1 150 150 ASP C C 13 174.9 0.30 . 1 . . . . 150 ASP C . 16337 1 603 . 1 1 150 150 ASP CA C 13 55.8 0.30 . 1 . . . . 150 ASP CA . 16337 1 604 . 1 1 150 150 ASP CB C 13 38.4 0.30 . 1 . . . . 150 ASP CB . 16337 1 605 . 1 1 150 150 ASP N N 15 115.8 0.20 . 1 . . . . 150 ASP N . 16337 1 606 . 1 1 151 151 LEU H H 1 8.35 0.02 . 1 . . . . 151 LEU H . 16337 1 607 . 1 1 151 151 LEU C C 13 178.2 0.30 . 5 . . . . 151 LEU C . 16337 1 608 . 1 1 151 151 LEU CA C 13 53.2 0.30 . 1 . . . . 151 LEU CA . 16337 1 609 . 1 1 151 151 LEU CB C 13 43.8 0.30 . 1 . . . . 151 LEU CB . 16337 1 610 . 1 1 151 151 LEU N N 15 115.3 0.20 . 1 . . . . 151 LEU N . 16337 1 611 . 1 1 152 152 ALA H H 1 7.48 0.02 . 1 . . . . 152 ALA H . 16337 1 612 . 1 1 152 152 ALA C C 13 174.3 0.30 . 1 . . . . 152 ALA C . 16337 1 613 . 1 1 152 152 ALA CA C 13 50.6 0.30 . 1 . . . . 152 ALA CA . 16337 1 614 . 1 1 152 152 ALA CB C 13 19.2 0.30 . 1 . . . . 152 ALA CB . 16337 1 615 . 1 1 152 152 ALA N N 15 123.8 0.20 . 1 . . . . 152 ALA N . 16337 1 616 . 1 1 153 153 ASP H H 1 8.98 0.02 . 1 . . . . 153 ASP H . 16337 1 617 . 1 1 153 153 ASP C C 13 175.4 0.30 . 1 . . . . 153 ASP C . 16337 1 618 . 1 1 153 153 ASP CA C 13 52.3 0.30 . 1 . . . . 153 ASP CA . 16337 1 619 . 1 1 153 153 ASP CB C 13 37.9 0.30 . 1 . . . . 153 ASP CB . 16337 1 620 . 1 1 153 153 ASP N N 15 122.9 0.20 . 1 . . . . 153 ASP N . 16337 1 621 . 1 1 154 154 VAL H H 1 7.37 0.02 . 1 . . . . 154 VAL H . 16337 1 622 . 1 1 154 154 VAL C C 13 176.3 0.30 . 1 . . . . 154 VAL C . 16337 1 623 . 1 1 154 154 VAL CA C 13 60.4 0.30 . 1 . . . . 154 VAL CA . 16337 1 624 . 1 1 154 154 VAL CB C 13 29.9 0.30 . 1 . . . . 154 VAL CB . 16337 1 625 . 1 1 154 154 VAL N N 15 113.7 0.20 . 1 . . . . 154 VAL N . 16337 1 626 . 1 1 155 155 ASP H H 1 7.11 0.02 . 1 . . . . 155 ASP H . 16337 1 627 . 1 1 155 155 ASP C C 13 175.2 0.30 . 1 . . . . 155 ASP C . 16337 1 628 . 1 1 155 155 ASP CA C 13 52.2 0.30 . 1 . . . . 155 ASP CA . 16337 1 629 . 1 1 155 155 ASP CB C 13 40.0 0.30 . 1 . . . . 155 ASP CB . 16337 1 630 . 1 1 155 155 ASP N N 15 121.4 0.20 . 1 . . . . 155 ASP N . 16337 1 631 . 1 1 156 156 CYS H H 1 7.54 0.02 . 1 . . . . 156 CYS H . 16337 1 632 . 1 1 156 156 CYS CA C 13 59.3 0.30 . 1 . . . . 156 CYS CA . 16337 1 633 . 1 1 156 156 CYS CB C 13 26.0 0.30 . 1 . . . . 156 CYS CB . 16337 1 634 . 1 1 156 156 CYS N N 15 123.6 0.20 . 1 . . . . 156 CYS N . 16337 1 635 . 1 1 157 157 GLU H H 1 8.36 0.02 . 1 . . . . 157 GLU H . 16337 1 636 . 1 1 157 157 GLU C C 13 171.5 0.30 . 1 . . . . 157 GLU C . 16337 1 637 . 1 1 157 157 GLU CA C 13 58.0 0.30 . 1 . . . . 157 GLU CA . 16337 1 638 . 1 1 157 157 GLU CB C 13 27.7 0.30 . 1 . . . . 157 GLU CB . 16337 1 639 . 1 1 157 157 GLU N N 15 121.5 0.20 . 1 . . . . 157 GLU N . 16337 1 640 . 1 1 158 158 ASN H H 1 7.29 0.02 . 1 . . . . 158 ASN H . 16337 1 641 . 1 1 158 158 ASN CA C 13 57.2 0.30 . 1 . . . . 158 ASN CA . 16337 1 642 . 1 1 158 158 ASN CB C 13 33.6 0.30 . 4 . . . . 158 ASN CB . 16337 1 643 . 1 1 158 158 ASN N N 15 118.4 0.20 . 1 . . . . 158 ASN N . 16337 1 644 . 1 1 159 159 TRP C C 13 177.8 0.30 . 1 . . . . 159 TRP C . 16337 1 645 . 1 1 160 160 GLU H H 1 7.53 0.02 . 1 . . . . 160 GLU H . 16337 1 646 . 1 1 160 160 GLU C C 13 178.4 0.30 . 1 . . . . 160 GLU C . 16337 1 647 . 1 1 160 160 GLU CA C 13 53.3 0.30 . 1 . . . . 160 GLU CA . 16337 1 648 . 1 1 160 160 GLU CB C 13 32.0 0.30 . 1 . . . . 160 GLU CB . 16337 1 649 . 1 1 160 160 GLU N N 15 121.9 0.20 . 1 . . . . 160 GLU N . 16337 1 650 . 1 1 161 161 GLU H H 1 8.11 0.02 . 1 . . . . 161 GLU H . 16337 1 651 . 1 1 161 161 GLU C C 13 174.2 0.30 . 1 . . . . 161 GLU C . 16337 1 652 . 1 1 161 161 GLU CA C 13 54.4 0.30 . 1 . . . . 161 GLU CA . 16337 1 653 . 1 1 161 161 GLU CB C 13 30.1 0.30 . 1 . . . . 161 GLU CB . 16337 1 654 . 1 1 161 161 GLU N N 15 119.6 0.20 . 1 . . . . 161 GLU N . 16337 1 655 . 1 1 162 162 ASP H H 1 9.33 0.02 . 1 . . . . 162 ASP H . 16337 1 656 . 1 1 162 162 ASP C C 13 174.9 0.30 . 1 . . . . 162 ASP C . 16337 1 657 . 1 1 162 162 ASP CA C 13 55.9 0.30 . 1 . . . . 162 ASP CA . 16337 1 658 . 1 1 162 162 ASP CB C 13 32.8 0.30 . 1 . . . . 162 ASP CB . 16337 1 659 . 1 1 162 162 ASP N N 15 126.3 0.20 . 1 . . . . 162 ASP N . 16337 1 660 . 1 1 163 163 THR H H 1 8.32 0.02 . 1 . . . . 163 THR H . 16337 1 661 . 1 1 163 163 THR CA C 13 55.0 0.30 . 1 . . . . 163 THR CA . 16337 1 662 . 1 1 163 163 THR CB C 13 62.9 0.30 . 1 . . . . 163 THR CB . 16337 1 663 . 1 1 163 163 THR N N 15 116.1 0.20 . 1 . . . . 163 THR N . 16337 1 664 . 1 1 165 165 PHE C C 13 174.4 0.30 . 9 . . . . 165 PHE C . 16337 1 665 . 1 1 166 166 LYS H H 1 11.70 0.02 . 9 . . . . 166 LYS H . 16337 1 666 . 1 1 166 166 LYS C C 13 171.9 0.30 . 9 . . . . 166 LYS C . 16337 1 667 . 1 1 166 166 LYS CA C 13 55.4 0.30 . 9 . . . . 166 LYS CA . 16337 1 668 . 1 1 166 166 LYS CB C 13 29.0 0.30 . 9 . . . . 166 LYS CB . 16337 1 669 . 1 1 166 166 LYS N N 15 123.8 0.20 . 9 . . . . 166 LYS N . 16337 1 670 . 1 1 167 167 ASP H H 1 7.70 0.02 . 9 . . . . 167 ASP H . 16337 1 671 . 1 1 167 167 ASP CA C 13 50.3 0.30 . 9 . . . . 167 ASP CA . 16337 1 672 . 1 1 167 167 ASP CB C 13 43.5 0.30 . 9 . . . . 167 ASP CB . 16337 1 673 . 1 1 167 167 ASP N N 15 120.5 0.20 . 9 . . . . 167 ASP N . 16337 1 674 . 1 1 168 168 PRO C C 13 172.6 0.30 . 1 . . . . 168 PRO C . 16337 1 675 . 1 1 168 168 PRO CA C 13 64.1 0.30 . 1 . . . . 168 PRO CA . 16337 1 676 . 1 1 168 168 PRO CB C 13 32.5 0.30 . 1 . . . . 168 PRO CB . 16337 1 677 . 1 1 169 169 ARG H H 1 7.93 0.02 . 1 . . . . 169 ARG H . 16337 1 678 . 1 1 169 169 ARG C C 13 172.1 0.30 . 1 . . . . 169 ARG C . 16337 1 679 . 1 1 169 169 ARG CA C 13 59.0 0.30 . 1 . . . . 169 ARG CA . 16337 1 680 . 1 1 169 169 ARG CB C 13 28.6 0.30 . 1 . . . . 169 ARG CB . 16337 1 681 . 1 1 169 169 ARG N N 15 119.1 0.20 . 1 . . . . 169 ARG N . 16337 1 682 . 1 1 170 170 GLU H H 1 8.74 0.02 . 1 . . . . 170 GLU H . 16337 1 683 . 1 1 170 170 GLU C C 13 171.1 0.30 . 1 . . . . 170 GLU C . 16337 1 684 . 1 1 170 170 GLU CA C 13 56.6 0.30 . 1 . . . . 170 GLU CA . 16337 1 685 . 1 1 170 170 GLU CB C 13 27.3 0.30 . 1 . . . . 170 GLU CB . 16337 1 686 . 1 1 170 170 GLU N N 15 122.8 0.20 . 1 . . . . 170 GLU N . 16337 1 687 . 1 1 171 171 LEU H H 1 9.41 0.02 . 1 . . . . 171 LEU H . 16337 1 688 . 1 1 171 171 LEU C C 13 173.2 0.30 . 1 . . . . 171 LEU C . 16337 1 689 . 1 1 171 171 LEU CA C 13 57.4 0.30 . 1 . . . . 171 LEU CA . 16337 1 690 . 1 1 171 171 LEU CB C 13 39.7 0.30 . 1 . . . . 171 LEU CB . 16337 1 691 . 1 1 171 171 LEU N N 15 119.3 0.20 . 1 . . . . 171 LEU N . 16337 1 692 . 1 1 172 172 TYR H H 1 8.21 0.02 . 1 . . . . 172 TYR H . 16337 1 693 . 1 1 172 172 TYR CA C 13 60.7 0.30 . 1 . . . . 172 TYR CA . 16337 1 694 . 1 1 172 172 TYR CB C 13 37.5 0.30 . 1 . . . . 172 TYR CB . 16337 1 695 . 1 1 172 172 TYR N N 15 120.1 0.20 . 1 . . . . 172 TYR N . 16337 1 696 . 1 1 173 173 ASP C C 13 172.9 0.30 . 1 . . . . 173 ASP C . 16337 1 697 . 1 1 174 174 PHE H H 1 7.54 0.02 . 1 . . . . 174 PHE H . 16337 1 698 . 1 1 174 174 PHE C C 13 171.2 0.30 . 1 . . . . 174 PHE C . 16337 1 699 . 1 1 174 174 PHE CA C 13 60.4 0.30 . 1 . . . . 174 PHE CA . 16337 1 700 . 1 1 174 174 PHE CB C 13 37.8 0.30 . 1 . . . . 174 PHE CB . 16337 1 701 . 1 1 174 174 PHE N N 15 119.4 0.20 . 1 . . . . 174 PHE N . 16337 1 702 . 1 1 175 175 LEU H H 1 7.98 0.02 . 1 . . . . 175 LEU H . 16337 1 703 . 1 1 175 175 LEU C C 13 176.2 0.30 . 1 . . . . 175 LEU C . 16337 1 704 . 1 1 175 175 LEU CA C 13 59.4 0.30 . 1 . . . . 175 LEU CA . 16337 1 705 . 1 1 175 175 LEU CB C 13 28.0 0.30 . 4 . . . . 175 LEU CB . 16337 1 706 . 1 1 175 175 LEU N N 15 118.1 0.20 . 1 . . . . 175 LEU N . 16337 1 707 . 1 1 176 176 LYS H H 1 8.02 0.02 . 1 . . . . 176 LYS H . 16337 1 708 . 1 1 176 176 LYS C C 13 172.7 0.30 . 1 . . . . 176 LYS C . 16337 1 709 . 1 1 176 176 LYS CA C 13 52.5 0.30 . 1 . . . . 176 LYS CA . 16337 1 710 . 1 1 176 176 LYS CB C 13 40.4 0.30 . 1 . . . . 176 LYS CB . 16337 1 711 . 1 1 176 176 LYS N N 15 121.4 0.20 . 1 . . . . 176 LYS N . 16337 1 712 . 1 1 177 177 THR H H 1 7.90 0.02 . 1 . . . . 177 THR H . 16337 1 713 . 1 1 177 177 THR C C 13 175.6 0.30 . 1 . . . . 177 THR C . 16337 1 714 . 1 1 177 177 THR CA C 13 61.2 0.30 . 1 . . . . 177 THR CA . 16337 1 715 . 1 1 177 177 THR CB C 13 62.4 0.30 . 1 . . . . 177 THR CB . 16337 1 716 . 1 1 177 177 THR N N 15 116.1 0.20 . 1 . . . . 177 THR N . 16337 1 717 . 1 1 178 178 GLU H H 1 8.35 0.02 . 1 . . . . 178 GLU H . 16337 1 718 . 1 1 178 178 GLU C C 13 172.7 0.30 . 1 . . . . 178 GLU C . 16337 1 719 . 1 1 178 178 GLU CA C 13 56.6 0.30 . 1 . . . . 178 GLU CA . 16337 1 720 . 1 1 178 178 GLU CB C 13 29.9 0.30 . 1 . . . . 178 GLU CB . 16337 1 721 . 1 1 178 178 GLU N N 15 123.2 0.20 . 1 . . . . 178 GLU N . 16337 1 722 . 1 1 179 179 LYS H H 1 7.90 0.02 . 1 . . . . 179 LYS H . 16337 1 723 . 1 1 179 179 LYS CA C 13 58.1 0.30 . 1 . . . . 179 LYS CA . 16337 1 724 . 1 1 179 179 LYS CB C 13 31.3 0.30 . 1 . . . . 179 LYS CB . 16337 1 725 . 1 1 179 179 LYS N N 15 116.6 0.20 . 1 . . . . 179 LYS N . 16337 1 726 . 1 1 180 180 PRO C C 13 173.6 0.30 . 1 . . . . 180 PRO C . 16337 1 727 . 1 1 181 181 GLU H H 1 8.11 0.02 . 9 . . . . 181 GLU H . 16337 1 728 . 1 1 181 181 GLU C C 13 176.4 0.30 . 9 . . . . 181 GLU C . 16337 1 729 . 1 1 181 181 GLU CA C 13 59.1 0.30 . 9 . . . . 181 GLU CA . 16337 1 730 . 1 1 181 181 GLU CB C 13 31.5 0.30 . 9 . . . . 181 GLU CB . 16337 1 731 . 1 1 181 181 GLU N N 15 116.5 0.20 . 9 . . . . 181 GLU N . 16337 1 732 . 1 1 182 182 GLU H H 1 7.19 0.02 . 9 . . . . 182 GLU H . 16337 1 733 . 1 1 182 182 GLU C C 13 172.6 0.30 . 9 . . . . 182 GLU C . 16337 1 734 . 1 1 182 182 GLU CA C 13 59.9 0.30 . 9 . . . . 182 GLU CA . 16337 1 735 . 1 1 182 182 GLU CB C 13 36.7 0.30 . 9 . . . . 182 GLU CB . 16337 1 736 . 1 1 182 182 GLU N N 15 123.7 0.20 . 9 . . . . 182 GLU N . 16337 1 737 . 1 1 183 183 GLU H H 1 8.02 0.02 . 9 . . . . 183 GLU H . 16337 1 738 . 1 1 183 183 GLU C C 13 173.7 0.30 . 9 . . . . 183 GLU C . 16337 1 739 . 1 1 183 183 GLU CA C 13 59.3 0.30 . 9 . . . . 183 GLU CA . 16337 1 740 . 1 1 183 183 GLU CB C 13 28.3 0.30 . 9 . . . . 183 GLU CB . 16337 1 741 . 1 1 183 183 GLU N N 15 119.5 0.20 . 9 . . . . 183 GLU N . 16337 1 742 . 1 1 184 184 LEU H H 1 7.48 0.02 . 5 . . . . 184 LEU H . 16337 1 743 . 1 1 184 184 LEU C C 13 170.1 0.30 . 5 . . . . 184 LEU C . 16337 1 744 . 1 1 184 184 LEU CA C 13 57.2 0.30 . 5 . . . . 184 LEU CA . 16337 1 745 . 1 1 184 184 LEU CB C 13 40.0 0.30 . 5 . . . . 184 LEU CB . 16337 1 746 . 1 1 184 184 LEU N N 15 122.6 0.20 . 5 . . . . 184 LEU N . 16337 1 747 . 1 1 185 185 VAL H H 1 7.98 0.02 . 9 . . . . 185 VAL H . 16337 1 748 . 1 1 185 185 VAL CA C 13 61.0 0.30 . 9 . . . . 185 VAL CA . 16337 1 749 . 1 1 185 185 VAL CB C 13 27.4 0.30 . 9 . . . . 185 VAL CB . 16337 1 750 . 1 1 185 185 VAL N N 15 121.7 0.20 . 9 . . . . 185 VAL N . 16337 1 751 . 1 1 188 188 HIS C C 13 173.6 0.30 . 1 . . . . 188 HIS C . 16337 1 752 . 1 1 189 189 GLY H H 1 8.00 0.02 . 1 . . . . 189 GLY H . 16337 1 753 . 1 1 189 189 GLY C C 13 175.7 0.30 . 1 . . . . 189 GLY C . 16337 1 754 . 1 1 189 189 GLY CA C 13 45.3 0.30 . 1 . . . . 189 GLY CA . 16337 1 755 . 1 1 189 189 GLY N N 15 104.4 0.20 . 1 . . . . 189 GLY N . 16337 1 756 . 1 1 190 190 ASP H H 1 10.70 0.02 . 1 . . . . 190 ASP H . 16337 1 757 . 1 1 190 190 ASP C C 13 175.5 0.30 . 1 . . . . 190 ASP C . 16337 1 758 . 1 1 190 190 ASP CA C 13 52.9 0.30 . 1 . . . . 190 ASP CA . 16337 1 759 . 1 1 190 190 ASP CB C 13 40.9 0.30 . 1 . . . . 190 ASP CB . 16337 1 760 . 1 1 190 190 ASP N N 15 132.3 0.20 . 1 . . . . 190 ASP N . 16337 1 761 . 1 1 191 191 LEU H H 1 8.77 0.02 . 1 . . . . 191 LEU H . 16337 1 762 . 1 1 191 191 LEU C C 13 173.2 0.30 . 1 . . . . 191 LEU C . 16337 1 763 . 1 1 191 191 LEU CA C 13 56.1 0.30 . 1 . . . . 191 LEU CA . 16337 1 764 . 1 1 191 191 LEU CB C 13 42.5 0.30 . 1 . . . . 191 LEU CB . 16337 1 765 . 1 1 191 191 LEU N N 15 126.3 0.20 . 1 . . . . 191 LEU N . 16337 1 766 . 1 1 192 192 GLY H H 1 8.19 0.02 . 1 . . . . 192 GLY H . 16337 1 767 . 1 1 192 192 GLY C C 13 173.9 0.30 . 9 . . . . 192 GLY C . 16337 1 768 . 1 1 192 192 GLY CA C 13 44.7 0.30 . 1 . . . . 192 GLY CA . 16337 1 769 . 1 1 192 192 GLY N N 15 111.7 0.20 . 1 . . . . 192 GLY N . 16337 1 770 . 1 1 193 193 ASP H H 1 8.32 0.02 . 1 . . . . 193 ASP H . 16337 1 771 . 1 1 193 193 ASP C C 13 176.0 0.30 . 5 . . . . 193 ASP C . 16337 1 772 . 1 1 193 193 ASP CA C 13 55.5 0.30 . 1 . . . . 193 ASP CA . 16337 1 773 . 1 1 193 193 ASP CB C 13 39.0 0.30 . 1 . . . . 193 ASP CB . 16337 1 774 . 1 1 193 193 ASP N N 15 118.2 0.20 . 1 . . . . 193 ASP N . 16337 1 775 . 1 1 194 194 SER H H 1 7.79 0.02 . 1 . . . . 194 SER H . 16337 1 776 . 1 1 194 194 SER C C 13 173.7 0.30 . 1 . . . . 194 SER C . 16337 1 777 . 1 1 194 194 SER CA C 13 58.2 0.30 . 1 . . . . 194 SER CA . 16337 1 778 . 1 1 194 194 SER CB C 13 73.0 0.30 . 5 . . . . 194 SER CB . 16337 1 779 . 1 1 194 194 SER N N 15 110.9 0.20 . 1 . . . . 194 SER N . 16337 1 780 . 1 1 195 195 ASN H H 1 8.00 0.02 . 5 . . . . 195 ASN H . 16337 1 781 . 1 1 195 195 ASN C C 13 178.2 0.30 . 5 . . . . 195 ASN C . 16337 1 782 . 1 1 195 195 ASN CA C 13 52.1 0.30 . 5 . . . . 195 ASN CA . 16337 1 783 . 1 1 195 195 ASN CB C 13 38.9 0.30 . 5 . . . . 195 ASN CB . 16337 1 784 . 1 1 195 195 ASN N N 15 113.3 0.20 . 5 . . . . 195 ASN N . 16337 1 785 . 1 1 196 196 ILE H H 1 6.45 0.02 . 1 . . . . 196 ILE H . 16337 1 786 . 1 1 196 196 ILE C C 13 176.6 0.30 . 1 . . . . 196 ILE C . 16337 1 787 . 1 1 196 196 ILE CA C 13 60.1 0.30 . 1 . . . . 196 ILE CA . 16337 1 788 . 1 1 196 196 ILE CB C 13 41.5 0.30 . 1 . . . . 196 ILE CB . 16337 1 789 . 1 1 196 196 ILE N N 15 116.1 0.20 . 1 . . . . 196 ILE N . 16337 1 790 . 1 1 197 197 PHE H H 1 8.65 0.02 . 1 . . . . 197 PHE H . 16337 1 791 . 1 1 197 197 PHE C C 13 175.0 0.30 . 1 . . . . 197 PHE C . 16337 1 792 . 1 1 197 197 PHE CA C 13 55.8 0.30 . 1 . . . . 197 PHE CA . 16337 1 793 . 1 1 197 197 PHE CB C 13 40.3 0.30 . 1 . . . . 197 PHE CB . 16337 1 794 . 1 1 197 197 PHE N N 15 127.0 0.20 . 1 . . . . 197 PHE N . 16337 1 795 . 1 1 198 198 VAL H H 1 9.25 0.02 . 1 . . . . 198 VAL H . 16337 1 796 . 1 1 198 198 VAL C C 13 174.6 0.30 . 1 . . . . 198 VAL C . 16337 1 797 . 1 1 198 198 VAL CA C 13 58.9 0.30 . 1 . . . . 198 VAL CA . 16337 1 798 . 1 1 198 198 VAL CB C 13 35.2 0.30 . 1 . . . . 198 VAL CB . 16337 1 799 . 1 1 198 198 VAL N N 15 117.8 0.20 . 1 . . . . 198 VAL N . 16337 1 800 . 1 1 199 199 LYS H H 1 8.82 0.02 . 9 . . . . 199 LYS H . 16337 1 801 . 1 1 199 199 LYS C C 13 174.3 0.30 . 9 . . . . 199 LYS C . 16337 1 802 . 1 1 199 199 LYS CA C 13 56.0 0.30 . 9 . . . . 199 LYS CA . 16337 1 803 . 1 1 199 199 LYS CB C 13 33.9 0.30 . 9 . . . . 199 LYS CB . 16337 1 804 . 1 1 199 199 LYS N N 15 123.2 0.20 . 9 . . . . 199 LYS N . 16337 1 805 . 1 1 200 200 ASP H H 1 9.56 0.02 . 1 . . . . 200 ASP H . 16337 1 806 . 1 1 200 200 ASP C C 13 174.4 0.30 . 1 . . . . 200 ASP C . 16337 1 807 . 1 1 200 200 ASP CA C 13 55.1 0.30 . 1 . . . . 200 ASP CA . 16337 1 808 . 1 1 200 200 ASP CB C 13 38.9 0.30 . 1 . . . . 200 ASP CB . 16337 1 809 . 1 1 200 200 ASP N N 15 129.4 0.20 . 1 . . . . 200 ASP N . 16337 1 810 . 1 1 201 201 GLY H H 1 8.62 0.02 . 1 . . . . 201 GLY H . 16337 1 811 . 1 1 201 201 GLY C C 13 177.3 0.30 . 1 . . . . 201 GLY C . 16337 1 812 . 1 1 201 201 GLY CA C 13 44.9 0.30 . 1 . . . . 201 GLY CA . 16337 1 813 . 1 1 201 201 GLY N N 15 103.6 0.20 . 1 . . . . 201 GLY N . 16337 1 814 . 1 1 202 202 LYS H H 1 7.54 0.02 . 1 . . . . 202 LYS H . 16337 1 815 . 1 1 202 202 LYS C C 13 175.1 0.30 . 1 . . . . 202 LYS C . 16337 1 816 . 1 1 202 202 LYS CA C 13 53.2 0.30 . 1 . . . . 202 LYS CA . 16337 1 817 . 1 1 202 202 LYS CB C 13 34.6 0.30 . 1 . . . . 202 LYS CB . 16337 1 818 . 1 1 202 202 LYS N N 15 120.6 0.20 . 1 . . . . 202 LYS N . 16337 1 819 . 1 1 203 203 VAL H H 1 8.78 0.02 . 1 . . . . 203 VAL H . 16337 1 820 . 1 1 203 203 VAL C C 13 173.8 0.30 . 1 . . . . 203 VAL C . 16337 1 821 . 1 1 203 203 VAL CA C 13 64.1 0.30 . 1 . . . . 203 VAL CA . 16337 1 822 . 1 1 203 203 VAL CB C 13 30.7 0.30 . 4 . . . . 203 VAL CB . 16337 1 823 . 1 1 203 203 VAL N N 15 122.4 0.20 . 1 . . . . 203 VAL N . 16337 1 824 . 1 1 204 204 SER H H 1 9.65 0.02 . 1 . . . . 204 SER H . 16337 1 825 . 1 1 204 204 SER C C 13 175.2 0.30 . 1 . . . . 204 SER C . 16337 1 826 . 1 1 204 204 SER CA C 13 57.5 0.30 . 1 . . . . 204 SER CA . 16337 1 827 . 1 1 204 204 SER CB C 13 65.1 0.30 . 1 . . . . 204 SER CB . 16337 1 828 . 1 1 204 204 SER N N 15 122.2 0.20 . 1 . . . . 204 SER N . 16337 1 829 . 1 1 205 205 GLY H H 1 7.12 0.02 . 1 . . . . 205 GLY H . 16337 1 830 . 1 1 205 205 GLY C C 13 174.0 0.30 . 1 . . . . 205 GLY C . 16337 1 831 . 1 1 205 205 GLY CA C 13 46.0 0.30 . 1 . . . . 205 GLY CA . 16337 1 832 . 1 1 205 205 GLY N N 15 111.5 0.20 . 1 . . . . 205 GLY N . 16337 1 833 . 1 1 206 206 PHE H H 1 7.65 0.02 . 1 . . . . 206 PHE H . 16337 1 834 . 1 1 206 206 PHE C C 13 176.4 0.30 . 1 . . . . 206 PHE C . 16337 1 835 . 1 1 206 206 PHE CA C 13 57.0 0.30 . 1 . . . . 206 PHE CA . 16337 1 836 . 1 1 206 206 PHE CB C 13 43.7 0.30 . 1 . . . . 206 PHE CB . 16337 1 837 . 1 1 206 206 PHE N N 15 118.6 0.20 . 1 . . . . 206 PHE N . 16337 1 838 . 1 1 207 207 ILE H H 1 7.88 0.02 . 1 . . . . 207 ILE H . 16337 1 839 . 1 1 207 207 ILE C C 13 171.7 0.30 . 1 . . . . 207 ILE C . 16337 1 840 . 1 1 207 207 ILE CA C 13 59.3 0.30 . 1 . . . . 207 ILE CA . 16337 1 841 . 1 1 207 207 ILE CB C 13 40.9 0.30 . 1 . . . . 207 ILE CB . 16337 1 842 . 1 1 207 207 ILE N N 15 109.6 0.20 . 1 . . . . 207 ILE N . 16337 1 843 . 1 1 208 208 ASP H H 1 8.39 0.02 . 1 . . . . 208 ASP H . 16337 1 844 . 1 1 208 208 ASP C C 13 175.2 0.30 . 1 . . . . 208 ASP C . 16337 1 845 . 1 1 208 208 ASP CA C 13 54.6 0.30 . 1 . . . . 208 ASP CA . 16337 1 846 . 1 1 208 208 ASP CB C 13 37.0 0.30 . 1 . . . . 208 ASP CB . 16337 1 847 . 1 1 208 208 ASP N N 15 118.8 0.20 . 1 . . . . 208 ASP N . 16337 1 848 . 1 1 209 209 LEU H H 1 7.63 0.02 . 1 . . . . 209 LEU H . 16337 1 849 . 1 1 209 209 LEU C C 13 171.1 0.30 . 1 . . . . 209 LEU C . 16337 1 850 . 1 1 209 209 LEU CA C 13 54.4 0.30 . 1 . . . . 209 LEU CA . 16337 1 851 . 1 1 209 209 LEU CB C 13 41.9 0.30 . 1 . . . . 209 LEU CB . 16337 1 852 . 1 1 209 209 LEU N N 15 118.6 0.20 . 1 . . . . 209 LEU N . 16337 1 853 . 1 1 210 210 GLY H H 1 9.08 0.02 . 9 . . . . 210 GLY H . 16337 1 854 . 1 1 210 210 GLY CA C 13 47.3 0.30 . 9 . . . . 210 GLY CA . 16337 1 855 . 1 1 210 210 GLY N N 15 112.7 0.20 . 1 . . . . 210 GLY N . 16337 1 856 . 1 1 211 211 ARG C C 13 175.8 0.30 . 1 . . . . 211 ARG C . 16337 1 857 . 1 1 212 212 SER H H 1 7.13 0.02 . 1 . . . . 212 SER H . 16337 1 858 . 1 1 212 212 SER C C 13 176.7 0.30 . 1 . . . . 212 SER C . 16337 1 859 . 1 1 212 212 SER CA C 13 58.1 0.30 . 1 . . . . 212 SER CA . 16337 1 860 . 1 1 212 212 SER CB C 13 64.5 0.30 . 1 . . . . 212 SER CB . 16337 1 861 . 1 1 212 212 SER N N 15 118.9 0.20 . 1 . . . . 212 SER N . 16337 1 862 . 1 1 213 213 GLY H H 1 7.51 0.02 . 1 . . . . 213 GLY H . 16337 1 863 . 1 1 213 213 GLY C C 13 178.6 0.30 . 1 . . . . 213 GLY C . 16337 1 864 . 1 1 213 213 GLY CA C 13 43.9 0.30 . 1 . . . . 213 GLY CA . 16337 1 865 . 1 1 213 213 GLY N N 15 104.2 0.20 . 1 . . . . 213 GLY N . 16337 1 866 . 1 1 214 214 ARG H H 1 8.09 0.02 . 1 . . . . 214 ARG H . 16337 1 867 . 1 1 214 214 ARG C C 13 174.8 0.30 . 1 . . . . 214 ARG C . 16337 1 868 . 1 1 214 214 ARG CA C 13 55.1 0.30 . 1 . . . . 214 ARG CA . 16337 1 869 . 1 1 214 214 ARG CB C 13 31.1 0.30 . 1 . . . . 214 ARG CB . 16337 1 870 . 1 1 214 214 ARG N N 15 119.1 0.20 . 1 . . . . 214 ARG N . 16337 1 871 . 1 1 215 215 ALA H H 1 9.05 0.02 . 1 . . . . 215 ALA H . 16337 1 872 . 1 1 215 215 ALA C C 13 175.2 0.30 . 1 . . . . 215 ALA C . 16337 1 873 . 1 1 215 215 ALA CA C 13 51.7 0.30 . 1 . . . . 215 ALA CA . 16337 1 874 . 1 1 215 215 ALA CB C 13 20.5 0.30 . 1 . . . . 215 ALA CB . 16337 1 875 . 1 1 215 215 ALA N N 15 123.0 0.20 . 1 . . . . 215 ALA N . 16337 1 876 . 1 1 216 216 ASP H H 1 8.77 0.02 . 1 . . . . 216 ASP H . 16337 1 877 . 1 1 216 216 ASP C C 13 171.8 0.30 . 1 . . . . 216 ASP C . 16337 1 878 . 1 1 216 216 ASP CA C 13 54.8 0.30 . 1 . . . . 216 ASP CA . 16337 1 879 . 1 1 216 216 ASP CB C 13 45.0 0.30 . 1 . . . . 216 ASP CB . 16337 1 880 . 1 1 216 216 ASP N N 15 118.0 0.20 . 1 . . . . 216 ASP N . 16337 1 881 . 1 1 217 217 LYS H H 1 7.87 0.02 . 1 . . . . 217 LYS H . 16337 1 882 . 1 1 217 217 LYS CA C 13 57.8 0.30 . 1 . . . . 217 LYS CA . 16337 1 883 . 1 1 217 217 LYS CB C 13 32.1 0.30 . 1 . . . . 217 LYS CB . 16337 1 884 . 1 1 217 217 LYS N N 15 123.4 0.20 . 1 . . . . 217 LYS N . 16337 1 885 . 1 1 218 218 TRP C C 13 174.8 0.30 . 9 . . . . 218 TRP C . 16337 1 886 . 1 1 219 219 TYR H H 1 6.16 0.02 . 9 . . . . 219 TYR H 'The only Tyrosine left' 16337 1 887 . 1 1 219 219 TYR CA C 13 57.1 0.30 . 9 . . . . 219 TYR CA 'The only Tyrosine left' 16337 1 888 . 1 1 219 219 TYR CB C 13 40.8 0.30 . 9 . . . . 219 TYR CB 'The only Tyrosine left' 16337 1 889 . 1 1 219 219 TYR N N 15 111.3 0.20 . 9 . . . . 219 TYR N 'The only Tyrosine left' 16337 1 890 . 1 1 220 220 ASP C C 13 170.6 0.30 . 1 . . . . 220 ASP C . 16337 1 891 . 1 1 221 221 ILE H H 1 6.70 0.02 . 1 . . . . 221 ILE H . 16337 1 892 . 1 1 221 221 ILE C C 13 173.3 0.30 . 1 . . . . 221 ILE C . 16337 1 893 . 1 1 221 221 ILE CA C 13 66.2 0.30 . 1 . . . . 221 ILE CA . 16337 1 894 . 1 1 221 221 ILE CB C 13 37.5 0.30 . 1 . . . . 221 ILE CB . 16337 1 895 . 1 1 221 221 ILE N N 15 118.2 0.20 . 1 . . . . 221 ILE N . 16337 1 896 . 1 1 222 222 ALA H H 1 8.82 0.02 . 1 . . . . 222 ALA H . 16337 1 897 . 1 1 222 222 ALA C C 13 174.1 0.30 . 1 . . . . 222 ALA C . 16337 1 898 . 1 1 222 222 ALA CA C 13 55.5 0.30 . 1 . . . . 222 ALA CA . 16337 1 899 . 1 1 222 222 ALA CB C 13 19.6 0.30 . 1 . . . . 222 ALA CB . 16337 1 900 . 1 1 222 222 ALA N N 15 123.5 0.20 . 1 . . . . 222 ALA N . 16337 1 901 . 1 1 223 223 PHE H H 1 7.97 0.02 . 1 . . . . 223 PHE H . 16337 1 902 . 1 1 223 223 PHE C C 13 170.9 0.30 . 1 . . . . 223 PHE C . 16337 1 903 . 1 1 223 223 PHE CA C 13 61.0 0.30 . 1 . . . . 223 PHE CA . 16337 1 904 . 1 1 223 223 PHE CB C 13 40.9 0.30 . 4 . . . . 223 PHE CB . 16337 1 905 . 1 1 223 223 PHE N N 15 119.9 0.20 . 1 . . . . 223 PHE N . 16337 1 906 . 1 1 224 224 CYS H H 1 7.91 0.02 . 1 . . . . 224 CYS H . 16337 1 907 . 1 1 224 224 CYS C C 13 174.1 0.30 . 1 . . . . 224 CYS C . 16337 1 908 . 1 1 224 224 CYS CA C 13 63.3 0.30 . 1 . . . . 224 CYS CA . 16337 1 909 . 1 1 224 224 CYS N N 15 120.4 0.20 . 1 . . . . 224 CYS N . 16337 1 910 . 1 1 225 225 VAL H H 1 8.08 0.02 . 1 . . . . 225 VAL H . 16337 1 911 . 1 1 225 225 VAL C C 13 173.8 0.30 . 1 . . . . 225 VAL C . 16337 1 912 . 1 1 225 225 VAL CA C 13 67.1 0.30 . 1 . . . . 225 VAL CA . 16337 1 913 . 1 1 225 225 VAL CB C 13 30.6 0.30 . 1 . . . . 225 VAL CB . 16337 1 914 . 1 1 225 225 VAL N N 15 120.6 0.20 . 1 . . . . 225 VAL N . 16337 1 915 . 1 1 226 226 ARG H H 1 8.37 0.02 . 1 . . . . 226 ARG H . 16337 1 916 . 1 1 226 226 ARG C C 13 172.0 0.30 . 1 . . . . 226 ARG C . 16337 1 917 . 1 1 226 226 ARG CA C 13 59.3 0.30 . 1 . . . . 226 ARG CA . 16337 1 918 . 1 1 226 226 ARG CB C 13 29.9 0.30 . 1 . . . . 226 ARG CB . 16337 1 919 . 1 1 226 226 ARG N N 15 120.3 0.20 . 1 . . . . 226 ARG N . 16337 1 920 . 1 1 227 227 SER H H 1 7.82 0.02 . 1 . . . . 227 SER H . 16337 1 921 . 1 1 227 227 SER C C 13 174.2 0.30 . 1 . . . . 227 SER C . 16337 1 922 . 1 1 227 227 SER CA C 13 60.9 0.30 . 1 . . . . 227 SER CA . 16337 1 923 . 1 1 227 227 SER CB C 13 61.7 0.30 . 1 . . . . 227 SER CB . 16337 1 924 . 1 1 227 227 SER N N 15 115.2 0.20 . 1 . . . . 227 SER N . 16337 1 925 . 1 1 228 228 ILE H H 1 8.61 0.02 . 1 . . . . 228 ILE H . 16337 1 926 . 1 1 228 228 ILE C C 13 175.5 0.30 . 1 . . . . 228 ILE C . 16337 1 927 . 1 1 228 228 ILE CA C 13 65.4 0.30 . 1 . . . . 228 ILE CA . 16337 1 928 . 1 1 228 228 ILE CB C 13 37.5 0.30 . 1 . . . . 228 ILE CB . 16337 1 929 . 1 1 228 228 ILE N N 15 122.9 0.20 . 1 . . . . 228 ILE N . 16337 1 930 . 1 1 229 229 ARG H H 1 8.39 0.02 . 1 . . . . 229 ARG H . 16337 1 931 . 1 1 229 229 ARG C C 13 173.4 0.30 . 1 . . . . 229 ARG C . 16337 1 932 . 1 1 229 229 ARG CA C 13 59.4 0.30 . 1 . . . . 229 ARG CA . 16337 1 933 . 1 1 229 229 ARG CB C 13 29.1 0.30 . 1 . . . . 229 ARG CB . 16337 1 934 . 1 1 229 229 ARG N N 15 118.2 0.20 . 1 . . . . 229 ARG N . 16337 1 935 . 1 1 230 230 GLU H H 1 7.51 0.02 . 1 . . . . 230 GLU H . 16337 1 936 . 1 1 230 230 GLU C C 13 181.4 0.30 . 1 . . . . 230 GLU C . 16337 1 937 . 1 1 230 230 GLU CA C 13 57.9 0.30 . 1 . . . . 230 GLU CA . 16337 1 938 . 1 1 230 230 GLU CB C 13 29.1 0.30 . 1 . . . . 230 GLU CB . 16337 1 939 . 1 1 230 230 GLU N N 15 118.3 0.20 . 1 . . . . 230 GLU N . 16337 1 940 . 1 1 231 231 ASP H H 1 7.67 0.02 . 1 . . . . 231 ASP H . 16337 1 941 . 1 1 231 231 ASP C C 13 173.9 0.30 . 1 . . . . 231 ASP C . 16337 1 942 . 1 1 231 231 ASP CA C 13 61.2 0.30 . 9 . . . . 231 ASP CA . 16337 1 943 . 1 1 231 231 ASP CB C 13 36.8 0.30 . 1 . . . . 231 ASP CB . 16337 1 944 . 1 1 231 231 ASP N N 15 118.6 0.20 . 1 . . . . 231 ASP N . 16337 1 945 . 1 1 232 232 ILE H H 1 7.94 0.02 . 1 . . . . 232 ILE H . 16337 1 946 . 1 1 232 232 ILE C C 13 172.9 0.30 . 1 . . . . 232 ILE C . 16337 1 947 . 1 1 232 232 ILE CA C 13 61.9 0.30 . 1 . . . . 232 ILE CA . 16337 1 948 . 1 1 232 232 ILE CB C 13 37.7 0.30 . 1 . . . . 232 ILE CB . 16337 1 949 . 1 1 232 232 ILE N N 15 119.7 0.20 . 1 . . . . 232 ILE N . 16337 1 950 . 1 1 233 233 GLY H H 1 8.24 0.02 . 1 . . . . 233 GLY H . 16337 1 951 . 1 1 233 233 GLY C C 13 176.4 0.30 . 1 . . . . 233 GLY C . 16337 1 952 . 1 1 233 233 GLY CA C 13 46.1 0.30 . 1 . . . . 233 GLY CA . 16337 1 953 . 1 1 233 233 GLY N N 15 107.8 0.20 . 1 . . . . 233 GLY N . 16337 1 954 . 1 1 234 234 GLU H H 1 7.08 0.02 . 1 . . . . 234 GLU H . 16337 1 955 . 1 1 234 234 GLU CA C 13 55.5 0.30 . 1 . . . . 234 GLU CA . 16337 1 956 . 1 1 234 234 GLU CB C 13 31.0 0.30 . 1 . . . . 234 GLU CB . 16337 1 957 . 1 1 234 234 GLU N N 15 118.2 0.20 . 1 . . . . 234 GLU N . 16337 1 958 . 1 1 236 236 GLN C C 13 172.8 0.30 . 1 . . . . 236 GLN C . 16337 1 959 . 1 1 237 237 TYR H H 1 7.65 0.02 . 1 . . . . 237 TYR H . 16337 1 960 . 1 1 237 237 TYR C C 13 173.3 0.30 . 1 . . . . 237 TYR C . 16337 1 961 . 1 1 237 237 TYR CA C 13 61.4 0.30 . 1 . . . . 237 TYR CA . 16337 1 962 . 1 1 237 237 TYR CB C 13 36.7 0.30 . 1 . . . . 237 TYR CB . 16337 1 963 . 1 1 237 237 TYR N N 15 119.0 0.20 . 1 . . . . 237 TYR N . 16337 1 964 . 1 1 238 238 VAL H H 1 7.60 0.02 . 1 . . . . 238 VAL H . 16337 1 965 . 1 1 238 238 VAL C C 13 172.9 0.30 . 1 . . . . 238 VAL C . 16337 1 966 . 1 1 238 238 VAL CA C 13 66.6 0.30 . 1 . . . . 238 VAL CA . 16337 1 967 . 1 1 238 238 VAL N N 15 122.6 0.20 . 1 . . . . 238 VAL N . 16337 1 968 . 1 1 239 239 GLU H H 1 7.70 0.02 . 1 . . . . 239 GLU H . 16337 1 969 . 1 1 239 239 GLU C C 13 176.1 0.30 . 1 . . . . 239 GLU C . 16337 1 970 . 1 1 239 239 GLU CA C 13 59.4 0.30 . 1 . . . . 239 GLU CA . 16337 1 971 . 1 1 239 239 GLU N N 15 118.6 0.20 . 1 . . . . 239 GLU N . 16337 1 972 . 1 1 240 240 LEU H H 1 8.84 0.02 . 1 . . . . 240 LEU H . 16337 1 973 . 1 1 240 240 LEU C C 13 174.4 0.30 . 1 . . . . 240 LEU C . 16337 1 974 . 1 1 240 240 LEU CA C 13 60.9 0.30 . 1 . . . . 240 LEU CA . 16337 1 975 . 1 1 240 240 LEU CB C 13 36.9 0.30 . 4 . . . . 240 LEU CB . 16337 1 976 . 1 1 240 240 LEU N N 15 120.6 0.20 . 1 . . . . 240 LEU N . 16337 1 977 . 1 1 241 241 PHE H H 1 7.52 0.02 . 1 . . . . 241 PHE H . 16337 1 978 . 1 1 241 241 PHE C C 13 175.4 0.30 . 1 . . . . 241 PHE C . 16337 1 979 . 1 1 241 241 PHE CA C 13 63.0 0.30 . 1 . . . . 241 PHE CA . 16337 1 980 . 1 1 241 241 PHE CB C 13 36.7 0.30 . 1 . . . . 241 PHE CB . 16337 1 981 . 1 1 241 241 PHE N N 15 115.3 0.20 . 1 . . . . 241 PHE N . 16337 1 982 . 1 1 242 242 PHE H H 1 6.63 0.02 . 1 . . . . 242 PHE H . 16337 1 983 . 1 1 242 242 PHE CA C 13 57.0 0.30 . 1 . . . . 242 PHE CA . 16337 1 984 . 1 1 242 242 PHE CB C 13 42.2 0.30 . 1 . . . . 242 PHE CB . 16337 1 985 . 1 1 242 242 PHE N N 15 116.8 0.20 . 1 . . . . 242 PHE N . 16337 1 986 . 1 1 243 243 ASP C C 13 174.1 0.30 . 1 . . . . 243 ASP C . 16337 1 987 . 1 1 244 244 LEU H H 1 7.72 0.02 . 1 . . . . 244 LEU H . 16337 1 988 . 1 1 244 244 LEU C C 13 173.9 0.30 . 1 . . . . 244 LEU C . 16337 1 989 . 1 1 244 244 LEU CA C 13 56.2 0.30 . 1 . . . . 244 LEU CA . 16337 1 990 . 1 1 244 244 LEU CB C 13 29.1 0.30 . 1 . . . . 244 LEU CB . 16337 1 991 . 1 1 244 244 LEU N N 15 119.3 0.20 . 1 . . . . 244 LEU N . 16337 1 992 . 1 1 245 245 LEU H H 1 8.44 0.02 . 1 . . . . 245 LEU H . 16337 1 993 . 1 1 245 245 LEU C C 13 172.6 0.30 . 1 . . . . 245 LEU C . 16337 1 994 . 1 1 245 245 LEU CA C 13 55.3 0.30 . 1 . . . . 245 LEU CA . 16337 1 995 . 1 1 245 245 LEU CB C 13 34.1 0.30 . 1 . . . . 245 LEU CB . 16337 1 996 . 1 1 245 245 LEU N N 15 121.8 0.20 . 1 . . . . 245 LEU N . 16337 1 997 . 1 1 246 246 GLY H H 1 8.00 0.02 . 1 . . . . 246 GLY H . 16337 1 998 . 1 1 246 246 GLY C C 13 176.0 0.30 . 1 . . . . 246 GLY C . 16337 1 999 . 1 1 246 246 GLY CA C 13 45.6 0.30 . 1 . . . . 246 GLY CA . 16337 1 1000 . 1 1 246 246 GLY N N 15 108.6 0.20 . 1 . . . . 246 GLY N . 16337 1 1001 . 1 1 247 247 ILE H H 1 7.27 0.02 . 1 . . . . 247 ILE H . 16337 1 1002 . 1 1 247 247 ILE C C 13 176.5 0.30 . 1 . . . . 247 ILE C . 16337 1 1003 . 1 1 247 247 ILE CA C 13 58.6 0.30 . 1 . . . . 247 ILE CA . 16337 1 1004 . 1 1 247 247 ILE CB C 13 41.3 0.30 . 1 . . . . 247 ILE CB . 16337 1 1005 . 1 1 247 247 ILE N N 15 114.6 0.20 . 1 . . . . 247 ILE N . 16337 1 1006 . 1 1 248 248 LYS H H 1 8.17 0.02 . 1 . . . . 248 LYS H . 16337 1 1007 . 1 1 248 248 LYS CA C 13 52.1 0.30 . 1 . . . . 248 LYS CA . 16337 1 1008 . 1 1 248 248 LYS CB C 13 31.0 0.30 . 4 . . . . 248 LYS CB . 16337 1 1009 . 1 1 248 248 LYS N N 15 123.7 0.20 . 1 . . . . 248 LYS N . 16337 1 1010 . 1 1 251 251 TRP C C 13 173.7 0.30 . 1 . . . . 251 TRP C . 16337 1 1011 . 1 1 252 252 GLU H H 1 8.87 0.02 . 9 . . . . 252 GLU H . 16337 1 1012 . 1 1 252 252 GLU C C 13 172.8 0.30 . 9 . . . . 252 GLU C . 16337 1 1013 . 1 1 252 252 GLU CA C 13 60.6 0.30 . 9 . . . . 252 GLU CA . 16337 1 1014 . 1 1 252 252 GLU CB C 13 27.6 0.30 . 9 . . . . 252 GLU CB . 16337 1 1015 . 1 1 252 252 GLU N N 15 118.2 0.20 . 9 . . . . 252 GLU N . 16337 1 1016 . 1 1 253 253 LYS H H 1 7.69 0.02 . 9 . . . . 253 LYS H . 16337 1 1017 . 1 1 253 253 LYS C C 13 174.2 0.30 . 9 . . . . 253 LYS C . 16337 1 1018 . 1 1 253 253 LYS CA C 13 58.1 0.30 . 9 . . . . 253 LYS CA . 16337 1 1019 . 1 1 253 253 LYS CB C 13 30.2 0.30 . 9 . . . . 253 LYS CB . 16337 1 1020 . 1 1 253 253 LYS N N 15 117.9 0.20 . 9 . . . . 253 LYS N . 16337 1 1021 . 1 1 254 254 ILE H H 1 7.34 0.02 . 1 . . . . 254 ILE H . 16337 1 1022 . 1 1 254 254 ILE C C 13 171.1 0.30 . 1 . . . . 254 ILE C . 16337 1 1023 . 1 1 254 254 ILE CA C 13 64.3 0.30 . 1 . . . . 254 ILE CA . 16337 1 1024 . 1 1 254 254 ILE N N 15 118.5 0.20 . 1 . . . . 254 ILE N . 16337 1 1025 . 1 1 255 255 LYS H H 1 7.99 0.02 . 1 . . . . 255 LYS H . 16337 1 1026 . 1 1 255 255 LYS C C 13 171.6 0.30 . 1 . . . . 255 LYS C . 16337 1 1027 . 1 1 255 255 LYS CA C 13 59.4 0.30 . 1 . . . . 255 LYS CA . 16337 1 1028 . 1 1 255 255 LYS CB C 13 28.0 0.30 . 4 . . . . 255 LYS CB . 16337 1 1029 . 1 1 255 255 LYS N N 15 118.0 0.20 . 1 . . . . 255 LYS N . 16337 1 1030 . 1 1 256 256 TYR H H 1 7.56 0.02 . 1 . . . . 256 TYR H . 16337 1 1031 . 1 1 256 256 TYR C C 13 175.0 0.30 . 1 . . . . 256 TYR C . 16337 1 1032 . 1 1 256 256 TYR CA C 13 62.9 0.30 . 1 . . . . 256 TYR CA . 16337 1 1033 . 1 1 256 256 TYR CB C 13 37.1 0.30 . 1 . . . . 256 TYR CB . 16337 1 1034 . 1 1 256 256 TYR N N 15 119.9 0.20 . 1 . . . . 256 TYR N . 16337 1 1035 . 1 1 257 257 TYR H H 1 8.06 0.02 . 1 . . . . 257 TYR H . 16337 1 1036 . 1 1 257 257 TYR C C 13 173.1 0.30 . 1 . . . . 257 TYR C . 16337 1 1037 . 1 1 257 257 TYR CA C 13 63.9 0.30 . 1 . . . . 257 TYR CA . 16337 1 1038 . 1 1 257 257 TYR CB C 13 37.6 0.30 . 1 . . . . 257 TYR CB . 16337 1 1039 . 1 1 257 257 TYR N N 15 116.3 0.20 . 1 . . . . 257 TYR N . 16337 1 1040 . 1 1 258 258 ILE H H 1 7.59 0.02 . 1 . . . . 258 ILE H . 16337 1 1041 . 1 1 258 258 ILE C C 13 171.3 0.30 . 1 . . . . 258 ILE C . 16337 1 1042 . 1 1 258 258 ILE CA C 13 65.4 0.30 . 1 . . . . 258 ILE CA . 16337 1 1043 . 1 1 258 258 ILE CB C 13 36.4 0.30 . 1 . . . . 258 ILE CB . 16337 1 1044 . 1 1 258 258 ILE N N 15 119.2 0.20 . 1 . . . . 258 ILE N . 16337 1 1045 . 1 1 259 259 LEU H H 1 7.64 0.02 . 1 . . . . 259 LEU H . 16337 1 1046 . 1 1 259 259 LEU C C 13 176.9 0.30 . 5 . . . . 259 LEU C . 16337 1 1047 . 1 1 259 259 LEU CA C 13 56.9 0.30 . 1 . . . . 259 LEU CA . 16337 1 1048 . 1 1 259 259 LEU CB C 13 40.2 0.30 . 1 . . . . 259 LEU CB . 16337 1 1049 . 1 1 259 259 LEU N N 15 120.9 0.20 . 1 . . . . 259 LEU N . 16337 1 1050 . 1 1 260 260 LEU H H 1 8.41 0.02 . 1 . . . . 260 LEU H . 16337 1 1051 . 1 1 260 260 LEU CA C 13 58.3 0.30 . 4 . . . . 260 LEU CA . 16337 1 1052 . 1 1 260 260 LEU CB C 13 29.0 0.30 . 1 . . . . 260 LEU CB . 16337 1 1053 . 1 1 260 260 LEU N N 15 120.8 0.20 . 1 . . . . 260 LEU N . 16337 1 1054 . 1 1 262 262 GLU C C 13 176.5 0.30 . 1 . . . . 262 GLU C . 16337 1 1055 . 1 1 263 263 LEU H H 1 8.16 0.02 . 5 . . . . 263 LEU H . 16337 1 1056 . 1 1 263 263 LEU C C 13 178.2 0.30 . 5 . . . . 263 LEU C . 16337 1 1057 . 1 1 263 263 LEU CA C 13 57.2 0.30 . 5 . . . . 263 LEU CA . 16337 1 1058 . 1 1 263 263 LEU CB C 13 40.7 0.30 . 5 . . . . 263 LEU CB . 16337 1 1059 . 1 1 263 263 LEU N N 15 121.2 0.20 . 5 . . . . 263 LEU N . 16337 1 1060 . 1 1 264 264 PHE H H 1 7.78 0.02 . 9 . . . . 264 PHE H . 16337 1 1061 . 1 1 264 264 PHE CA C 13 56.0 0.30 . 9 . . . . 264 PHE CA . 16337 1 1062 . 1 1 264 264 PHE CB C 13 42.1 0.30 . 9 . . . . 264 PHE CB . 16337 1 1063 . 1 1 264 264 PHE N N 15 126.8 0.20 . 9 . . . . 264 PHE N . 16337 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 37 16337 1 1 1070 16337 1 2 252 16337 1 2 1862 16337 1 3 368 16337 1 3 1372 16337 1 4 401 16337 1 4 689 16337 1 5 430 16337 1 5 801 16337 1 6 1310 16337 1 6 1890 16337 1 7 1311 16337 1 7 1891 16337 1 8 1312 16337 1 8 1892 16337 1 9 1313 16337 1 10 1893 16337 1 11 1317 16337 1 11 1897 16337 1 12 738 16337 1 12 1382 16337 1 13 739 16337 1 13 1383 16337 1 14 740 16337 1 14 1384 16337 1 15 741 16337 1 15 1385 16337 1 16 743 16337 1 16 1387 16337 1 17 374 16337 1 17 1380 16337 1 stop_ save_