data_19245 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19245 _Entry.Title ; Backbone chemical shifts from E. coli HisJ complexed with Histidine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-15 _Entry.Accession_date 2013-05-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Byron Chu . 'C. H.' . 19245 2 Hans Vogel . J. . 19245 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19245 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 697 19245 '15N chemical shifts' 228 19245 '1H chemical shifts' 228 19245 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 . . 2013-12-06 2013-05-15 update BMRB 'update entry citation' 19245 1 . . 2013-09-30 2013-05-15 original author 'original release' 19245 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19242 'E. coli apo-HisJ' 19245 BMRB 19243 'Backbone chemical shifts of isolated Domain 1 from E. coli HisJ' 19245 BMRB 19244 'Backbone chemical shifts of isolated Domain 2 from E. coli HisJ' 19245 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19245 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24036119 _Citation.Full_citation . _Citation.Title 'Role of the Two Structural Domains from the Periplasmic Escherichia coli Histidine-binding Protein HisJ.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 44 _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 31409 _Citation.Page_last 31422 _Citation.Year 2013 _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 Byron Chu . C.H. . 19245 1 2 Timothy Dewolf . . . 19245 1 3 Hans Vogel . J. . 19245 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E. coli' 19245 1 HisJ 19245 1 Histidine 19245 1 'Periplasmic binding protein' 19245 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19245 _Assembly.ID 1 _Assembly.Name 'HisJ and Histidine' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $Holo-HisJ A . yes native no no . . . 19245 1 2 ligand 2 $entity_HIS B . no native no no . . . 19245 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 41 41 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . 19245 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Holo-HisJ _Entity.Sf_category entity _Entity.Sf_framecode Holo-HisJ _Entity.Entry_ID 19245 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Holo-HisJ _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 ; GGMAIPQNIRIGTDPTYAPF ESKNSQGELVGFDIDLAKEL CKRINTQCTFVENPLDALIP SLKAKKIDAIMSSLSITEKR QQEIAFTDKLYAADSRLVVA KNSDIQPTVESLKGKRVGVL QGTTQETFGNEHWAPKGIEI VSYQGQDNIYSDLTAGRIDA AFQDEVAASEGFLKQPVGKD YKFGGPSVKDEKLFGVGTGM GLRKEDNELREALNKAFAEM RADGTYEKLAKKYFDFDVYG G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 241 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 16204 . HisJ . . . . . 98.76 238 100.00 100.00 3.15e-172 . . . . 19245 1 2 no BMRB 16205 . HisJ . . . . . 98.76 238 100.00 100.00 3.15e-172 . . . . 19245 1 3 no BMRB 19242 . apo-HisJ . . . . . 100.00 241 100.00 100.00 5.51e-175 . . . . 19245 1 4 no PDB 1HPB . "The Bacterial Periplasmic Histidine-Binding Protein: Structure(Slash)function Analysis Of The Ligand-Binding Site And Compariso" . . . . . 98.76 238 98.32 99.16 1.18e-169 . . . . 19245 1 5 no PDB 1HSL . "Refined 1.89 Angstroms Structure Of The Histidine-Binding Protein Complexed With Histidine And Its Relationship With Many Other" . . . . . 98.76 238 98.32 99.16 1.18e-169 . . . . 19245 1 6 no PDB 2M8C . "The Solution Nmr Structure Of E. Coli Apo-hisj" . . . . . 100.00 241 100.00 100.00 5.51e-175 . . . . 19245 1 7 no DBJ BAA16155 . "histidine/lysine/arginine/ornithine transporter subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 8 no DBJ BAB36616 . "histidine transport system histidine-binding periplasmic protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 9 no DBJ BAG66608 . "histidine/lysine/arginine/ornithine transporter subunit [Escherichia coli O111:H-]" . . . . . 98.76 260 99.58 100.00 8.16e-173 . . . . 19245 1 10 no DBJ BAG78142 . "histidine ABC transporter substrate binding component [Escherichia coli SE11]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 11 no DBJ BAI26504 . "histidine/lysine/arginine/ornithine transporter subunit HisJ [Escherichia coli O26:H11 str. 11368]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 12 no EMBL CAA24658 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19245 1 13 no EMBL CAA24659 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19245 1 14 no EMBL CAD07586 . "histidine-binding periplasmic protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 98.76 260 97.48 98.74 1.58e-169 . . . . 19245 1 15 no EMBL CAJ55342 . "periplasmic histidine-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 59.75 164 97.92 98.61 1.97e-97 . . . . 19245 1 16 no EMBL CAJ55343 . "periplasmic histidine-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 59.75 164 97.92 98.61 2.03e-97 . . . . 19245 1 17 no GB AAA75578 . "J protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19245 1 18 no GB AAA85769 . "histidine-binding periplasmic protein HisJ [Escherichia coli]" . . . . . 98.76 260 99.58 99.58 3.10e-172 . . . . 19245 1 19 no GB AAC75369 . "histidine ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 20 no GB AAG57438 . "histidine-binding periplasmic protein of high-affinity histidine transport system [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 21 no GB AAL21255 . "histidine transport protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19245 1 22 no PIR AH0800 . "histidine-binding periplasmic protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 98.76 260 97.48 98.74 1.58e-169 . . . . 19245 1 23 no PRF 0809313B . "protein hisJ" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19245 1 24 no REF NP_311220 . "histidine transport system histidine-binding periplasmic protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 25 no REF NP_416812 . "histidine ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 26 no REF NP_456896 . "histidine ABC transporter substrate-binding protein HisJ [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 98.76 260 97.48 98.74 1.58e-169 . . . . 19245 1 27 no REF NP_461296 . "histidine ABC transporter substrate-binding protein HisJ [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19245 1 28 no REF NP_708191 . "histidine ABC transporter substrate-binding protein HisJ [Shigella flexneri 2a str. 301]" . . . . . 94.61 264 99.56 100.00 1.47e-164 . . . . 19245 1 29 no SP P02910 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19245 1 30 no SP P0AEU0 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 31 no SP P0AEU1 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 1 32 no SP P0AEU2 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19245 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 . GLY . 19245 1 2 . GLY . 19245 1 3 . MET . 19245 1 4 . ALA . 19245 1 5 . ILE . 19245 1 6 . PRO . 19245 1 7 . GLN . 19245 1 8 . ASN . 19245 1 9 . ILE . 19245 1 10 . ARG . 19245 1 11 . ILE . 19245 1 12 . GLY . 19245 1 13 . THR . 19245 1 14 . ASP . 19245 1 15 . PRO . 19245 1 16 . THR . 19245 1 17 . TYR . 19245 1 18 . ALA . 19245 1 19 . PRO . 19245 1 20 . PHE . 19245 1 21 . GLU . 19245 1 22 . SER . 19245 1 23 . LYS . 19245 1 24 . ASN . 19245 1 25 . SER . 19245 1 26 . GLN . 19245 1 27 . GLY . 19245 1 28 . GLU . 19245 1 29 . LEU . 19245 1 30 . VAL . 19245 1 31 . GLY . 19245 1 32 . PHE . 19245 1 33 . ASP . 19245 1 34 . ILE . 19245 1 35 . ASP . 19245 1 36 . LEU . 19245 1 37 . ALA . 19245 1 38 . LYS . 19245 1 39 . GLU . 19245 1 40 . LEU . 19245 1 41 . CYS . 19245 1 42 . LYS . 19245 1 43 . ARG . 19245 1 44 . ILE . 19245 1 45 . ASN . 19245 1 46 . THR . 19245 1 47 . GLN . 19245 1 48 . CYS . 19245 1 49 . THR . 19245 1 50 . PHE . 19245 1 51 . VAL . 19245 1 52 . GLU . 19245 1 53 . ASN . 19245 1 54 . PRO . 19245 1 55 . LEU . 19245 1 56 . ASP . 19245 1 57 . ALA . 19245 1 58 . LEU . 19245 1 59 . ILE . 19245 1 60 . PRO . 19245 1 61 . SER . 19245 1 62 . LEU . 19245 1 63 . LYS . 19245 1 64 . ALA . 19245 1 65 . LYS . 19245 1 66 . LYS . 19245 1 67 . ILE . 19245 1 68 . ASP . 19245 1 69 . ALA . 19245 1 70 . ILE . 19245 1 71 . MET . 19245 1 72 . SER . 19245 1 73 . SER . 19245 1 74 . LEU . 19245 1 75 . SER . 19245 1 76 . ILE . 19245 1 77 . THR . 19245 1 78 . GLU . 19245 1 79 . LYS . 19245 1 80 . ARG . 19245 1 81 . GLN . 19245 1 82 . GLN . 19245 1 83 . GLU . 19245 1 84 . ILE . 19245 1 85 . ALA . 19245 1 86 . PHE . 19245 1 87 . THR . 19245 1 88 . ASP . 19245 1 89 . LYS . 19245 1 90 . LEU . 19245 1 91 . TYR . 19245 1 92 . ALA . 19245 1 93 . ALA . 19245 1 94 . ASP . 19245 1 95 . SER . 19245 1 96 . ARG . 19245 1 97 . LEU . 19245 1 98 . VAL . 19245 1 99 . VAL . 19245 1 100 . ALA . 19245 1 101 . LYS . 19245 1 102 . ASN . 19245 1 103 . SER . 19245 1 104 . ASP . 19245 1 105 . ILE . 19245 1 106 . GLN . 19245 1 107 . PRO . 19245 1 108 . THR . 19245 1 109 . VAL . 19245 1 110 . GLU . 19245 1 111 . SER . 19245 1 112 . LEU . 19245 1 113 . LYS . 19245 1 114 . GLY . 19245 1 115 . LYS . 19245 1 116 . ARG . 19245 1 117 . VAL . 19245 1 118 . GLY . 19245 1 119 . VAL . 19245 1 120 . LEU . 19245 1 121 . GLN . 19245 1 122 . GLY . 19245 1 123 . THR . 19245 1 124 . THR . 19245 1 125 . GLN . 19245 1 126 . GLU . 19245 1 127 . THR . 19245 1 128 . PHE . 19245 1 129 . GLY . 19245 1 130 . ASN . 19245 1 131 . GLU . 19245 1 132 . HIS . 19245 1 133 . TRP . 19245 1 134 . ALA . 19245 1 135 . PRO . 19245 1 136 . LYS . 19245 1 137 . GLY . 19245 1 138 . ILE . 19245 1 139 . GLU . 19245 1 140 . ILE . 19245 1 141 . VAL . 19245 1 142 . SER . 19245 1 143 . TYR . 19245 1 144 . GLN . 19245 1 145 . GLY . 19245 1 146 . GLN . 19245 1 147 . ASP . 19245 1 148 . ASN . 19245 1 149 . ILE . 19245 1 150 . TYR . 19245 1 151 . SER . 19245 1 152 . ASP . 19245 1 153 . LEU . 19245 1 154 . THR . 19245 1 155 . ALA . 19245 1 156 . GLY . 19245 1 157 . ARG . 19245 1 158 . ILE . 19245 1 159 . ASP . 19245 1 160 . ALA . 19245 1 161 . ALA . 19245 1 162 . PHE . 19245 1 163 . GLN . 19245 1 164 . ASP . 19245 1 165 . GLU . 19245 1 166 . VAL . 19245 1 167 . ALA . 19245 1 168 . ALA . 19245 1 169 . SER . 19245 1 170 . GLU . 19245 1 171 . GLY . 19245 1 172 . PHE . 19245 1 173 . LEU . 19245 1 174 . LYS . 19245 1 175 . GLN . 19245 1 176 . PRO . 19245 1 177 . VAL . 19245 1 178 . GLY . 19245 1 179 . LYS . 19245 1 180 . ASP . 19245 1 181 . TYR . 19245 1 182 . LYS . 19245 1 183 . PHE . 19245 1 184 . GLY . 19245 1 185 . GLY . 19245 1 186 . PRO . 19245 1 187 . SER . 19245 1 188 . VAL . 19245 1 189 . LYS . 19245 1 190 . ASP . 19245 1 191 . GLU . 19245 1 192 . LYS . 19245 1 193 . LEU . 19245 1 194 . PHE . 19245 1 195 . GLY . 19245 1 196 . VAL . 19245 1 197 . GLY . 19245 1 198 . THR . 19245 1 199 . GLY . 19245 1 200 . MET . 19245 1 201 . GLY . 19245 1 202 . LEU . 19245 1 203 . ARG . 19245 1 204 . LYS . 19245 1 205 . GLU . 19245 1 206 . ASP . 19245 1 207 . ASN . 19245 1 208 . GLU . 19245 1 209 . LEU . 19245 1 210 . ARG . 19245 1 211 . GLU . 19245 1 212 . ALA . 19245 1 213 . LEU . 19245 1 214 . ASN . 19245 1 215 . LYS . 19245 1 216 . ALA . 19245 1 217 . PHE . 19245 1 218 . ALA . 19245 1 219 . GLU . 19245 1 220 . MET . 19245 1 221 . ARG . 19245 1 222 . ALA . 19245 1 223 . ASP . 19245 1 224 . GLY . 19245 1 225 . THR . 19245 1 226 . TYR . 19245 1 227 . GLU . 19245 1 228 . LYS . 19245 1 229 . LEU . 19245 1 230 . ALA . 19245 1 231 . LYS . 19245 1 232 . LYS . 19245 1 233 . TYR . 19245 1 234 . PHE . 19245 1 235 . ASP . 19245 1 236 . PHE . 19245 1 237 . ASP . 19245 1 238 . VAL . 19245 1 239 . TYR . 19245 1 240 . GLY . 19245 1 241 . GLY . 19245 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 . GLY 1 1 19245 1 . GLY 2 2 19245 1 . MET 3 3 19245 1 . ALA 4 4 19245 1 . ILE 5 5 19245 1 . PRO 6 6 19245 1 . GLN 7 7 19245 1 . ASN 8 8 19245 1 . ILE 9 9 19245 1 . ARG 10 10 19245 1 . ILE 11 11 19245 1 . GLY 12 12 19245 1 . THR 13 13 19245 1 . ASP 14 14 19245 1 . PRO 15 15 19245 1 . THR 16 16 19245 1 . TYR 17 17 19245 1 . ALA 18 18 19245 1 . PRO 19 19 19245 1 . PHE 20 20 19245 1 . GLU 21 21 19245 1 . SER 22 22 19245 1 . LYS 23 23 19245 1 . ASN 24 24 19245 1 . SER 25 25 19245 1 . GLN 26 26 19245 1 . GLY 27 27 19245 1 . GLU 28 28 19245 1 . LEU 29 29 19245 1 . VAL 30 30 19245 1 . GLY 31 31 19245 1 . PHE 32 32 19245 1 . ASP 33 33 19245 1 . ILE 34 34 19245 1 . ASP 35 35 19245 1 . LEU 36 36 19245 1 . ALA 37 37 19245 1 . LYS 38 38 19245 1 . GLU 39 39 19245 1 . LEU 40 40 19245 1 . CYS 41 41 19245 1 . LYS 42 42 19245 1 . ARG 43 43 19245 1 . ILE 44 44 19245 1 . ASN 45 45 19245 1 . THR 46 46 19245 1 . GLN 47 47 19245 1 . CYS 48 48 19245 1 . THR 49 49 19245 1 . PHE 50 50 19245 1 . VAL 51 51 19245 1 . GLU 52 52 19245 1 . ASN 53 53 19245 1 . PRO 54 54 19245 1 . LEU 55 55 19245 1 . ASP 56 56 19245 1 . ALA 57 57 19245 1 . LEU 58 58 19245 1 . ILE 59 59 19245 1 . PRO 60 60 19245 1 . SER 61 61 19245 1 . LEU 62 62 19245 1 . LYS 63 63 19245 1 . ALA 64 64 19245 1 . LYS 65 65 19245 1 . LYS 66 66 19245 1 . ILE 67 67 19245 1 . ASP 68 68 19245 1 . ALA 69 69 19245 1 . ILE 70 70 19245 1 . MET 71 71 19245 1 . SER 72 72 19245 1 . SER 73 73 19245 1 . LEU 74 74 19245 1 . SER 75 75 19245 1 . ILE 76 76 19245 1 . THR 77 77 19245 1 . GLU 78 78 19245 1 . LYS 79 79 19245 1 . ARG 80 80 19245 1 . GLN 81 81 19245 1 . GLN 82 82 19245 1 . GLU 83 83 19245 1 . ILE 84 84 19245 1 . ALA 85 85 19245 1 . PHE 86 86 19245 1 . THR 87 87 19245 1 . ASP 88 88 19245 1 . LYS 89 89 19245 1 . LEU 90 90 19245 1 . TYR 91 91 19245 1 . ALA 92 92 19245 1 . ALA 93 93 19245 1 . ASP 94 94 19245 1 . SER 95 95 19245 1 . ARG 96 96 19245 1 . LEU 97 97 19245 1 . VAL 98 98 19245 1 . VAL 99 99 19245 1 . ALA 100 100 19245 1 . LYS 101 101 19245 1 . ASN 102 102 19245 1 . SER 103 103 19245 1 . ASP 104 104 19245 1 . ILE 105 105 19245 1 . GLN 106 106 19245 1 . PRO 107 107 19245 1 . THR 108 108 19245 1 . VAL 109 109 19245 1 . GLU 110 110 19245 1 . SER 111 111 19245 1 . LEU 112 112 19245 1 . LYS 113 113 19245 1 . GLY 114 114 19245 1 . LYS 115 115 19245 1 . ARG 116 116 19245 1 . VAL 117 117 19245 1 . GLY 118 118 19245 1 . VAL 119 119 19245 1 . LEU 120 120 19245 1 . GLN 121 121 19245 1 . GLY 122 122 19245 1 . THR 123 123 19245 1 . THR 124 124 19245 1 . GLN 125 125 19245 1 . GLU 126 126 19245 1 . THR 127 127 19245 1 . PHE 128 128 19245 1 . GLY 129 129 19245 1 . ASN 130 130 19245 1 . GLU 131 131 19245 1 . HIS 132 132 19245 1 . TRP 133 133 19245 1 . ALA 134 134 19245 1 . PRO 135 135 19245 1 . LYS 136 136 19245 1 . GLY 137 137 19245 1 . ILE 138 138 19245 1 . GLU 139 139 19245 1 . ILE 140 140 19245 1 . VAL 141 141 19245 1 . SER 142 142 19245 1 . TYR 143 143 19245 1 . GLN 144 144 19245 1 . GLY 145 145 19245 1 . GLN 146 146 19245 1 . ASP 147 147 19245 1 . ASN 148 148 19245 1 . ILE 149 149 19245 1 . TYR 150 150 19245 1 . SER 151 151 19245 1 . ASP 152 152 19245 1 . LEU 153 153 19245 1 . THR 154 154 19245 1 . ALA 155 155 19245 1 . GLY 156 156 19245 1 . ARG 157 157 19245 1 . ILE 158 158 19245 1 . ASP 159 159 19245 1 . ALA 160 160 19245 1 . ALA 161 161 19245 1 . PHE 162 162 19245 1 . GLN 163 163 19245 1 . ASP 164 164 19245 1 . GLU 165 165 19245 1 . VAL 166 166 19245 1 . ALA 167 167 19245 1 . ALA 168 168 19245 1 . SER 169 169 19245 1 . GLU 170 170 19245 1 . GLY 171 171 19245 1 . PHE 172 172 19245 1 . LEU 173 173 19245 1 . LYS 174 174 19245 1 . GLN 175 175 19245 1 . PRO 176 176 19245 1 . VAL 177 177 19245 1 . GLY 178 178 19245 1 . LYS 179 179 19245 1 . ASP 180 180 19245 1 . TYR 181 181 19245 1 . LYS 182 182 19245 1 . PHE 183 183 19245 1 . GLY 184 184 19245 1 . GLY 185 185 19245 1 . PRO 186 186 19245 1 . SER 187 187 19245 1 . VAL 188 188 19245 1 . LYS 189 189 19245 1 . ASP 190 190 19245 1 . GLU 191 191 19245 1 . LYS 192 192 19245 1 . LEU 193 193 19245 1 . PHE 194 194 19245 1 . GLY 195 195 19245 1 . VAL 196 196 19245 1 . GLY 197 197 19245 1 . THR 198 198 19245 1 . GLY 199 199 19245 1 . MET 200 200 19245 1 . GLY 201 201 19245 1 . LEU 202 202 19245 1 . ARG 203 203 19245 1 . LYS 204 204 19245 1 . GLU 205 205 19245 1 . ASP 206 206 19245 1 . ASN 207 207 19245 1 . GLU 208 208 19245 1 . LEU 209 209 19245 1 . ARG 210 210 19245 1 . GLU 211 211 19245 1 . ALA 212 212 19245 1 . LEU 213 213 19245 1 . ASN 214 214 19245 1 . LYS 215 215 19245 1 . ALA 216 216 19245 1 . PHE 217 217 19245 1 . ALA 218 218 19245 1 . GLU 219 219 19245 1 . MET 220 220 19245 1 . ARG 221 221 19245 1 . ALA 222 222 19245 1 . ASP 223 223 19245 1 . GLY 224 224 19245 1 . THR 225 225 19245 1 . TYR 226 226 19245 1 . GLU 227 227 19245 1 . LYS 228 228 19245 1 . LEU 229 229 19245 1 . ALA 230 230 19245 1 . LYS 231 231 19245 1 . LYS 232 232 19245 1 . TYR 233 233 19245 1 . PHE 234 234 19245 1 . ASP 235 235 19245 1 . PHE 236 236 19245 1 . ASP 237 237 19245 1 . VAL 238 238 19245 1 . TYR 239 239 19245 1 . GLY 240 240 19245 1 . GLY 241 241 19245 1 stop_ save_ save_entity_HIS _Entity.Sf_category entity _Entity.Sf_framecode entity_HIS _Entity.Entry_ID 19245 _Entity.ID 2 _Entity.BMRB_code HIS _Entity.Name HISTIDINE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HIS _Entity.Nonpolymer_comp_label $chem_comp_HIS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 156.162 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HISTIDINE BMRB 19245 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID HISTIDINE BMRB 19245 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HIS $chem_comp_HIS 19245 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 HIS C 19245 2 2 1 HIS CA 19245 2 3 1 HIS CB 19245 2 4 1 HIS CD2 19245 2 5 1 HIS CE1 19245 2 6 1 HIS CG 19245 2 7 1 HIS H 19245 2 8 1 HIS H2 19245 2 9 1 HIS HA 19245 2 10 1 HIS HB2 19245 2 11 1 HIS HB3 19245 2 12 1 HIS HD1 19245 2 13 1 HIS HD2 19245 2 14 1 HIS HE1 19245 2 15 1 HIS HE2 19245 2 16 1 HIS HXT 19245 2 17 1 HIS N 19245 2 18 1 HIS ND1 19245 2 19 1 HIS NE2 19245 2 20 1 HIS O 19245 2 21 1 HIS OXT 19245 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 19245 _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 $Holo-HisJ . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 19245 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 19245 _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 $Holo-HisJ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-15 . . . . . . 19245 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HIS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HIS _Chem_comp.Entry_ID 19245 _Chem_comp.ID HIS _Chem_comp.Provenance PDB _Chem_comp.Name HISTIDINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code HIS _Chem_comp.PDB_code HIS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code H _Chem_comp.Three_letter_code HIS _Chem_comp.Number_atoms_all 21 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C6 H10 N3 O2' _Chem_comp.Formula_weight 156.162 _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 'OpenEye/OEToolkits V1.4.2' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1c([nH+]c[nH]1)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 19245 HIS c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19245 HIS HNDVDQJCIGZPNO-YFKPBYRVSA-O InChIKey InChI 1.03 19245 HIS InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1 InChI InChI 1.03 19245 HIS N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O SMILES_CANONICAL CACTVS 3.341 19245 HIS N[CH](Cc1c[nH]c[nH+]1)C(O)=O SMILES CACTVS 3.341 19245 HIS O=C(O)C(N)Cc1cnc[nH+]1 SMILES ACDLabs 10.04 19245 HIS 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 '(2S)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19245 HIS 3-(1H-imidazol-3-ium-4-yl)-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 19245 HIS 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 N N N N . N . . N 0 . . . 1 no no . . . . 33.472 . 42.685 . -4.610 . -0.040 -1.210 0.053 1 . 19245 HIS CA CA CA CA . C . . S 0 . . . 1 no no . . . . 33.414 . 41.686 . -5.673 . 1.172 -1.709 0.652 2 . 19245 HIS C C C C . C . . N 0 . . . 1 no no . . . . 33.773 . 42.279 . -7.040 . 1.083 -3.207 0.905 3 . 19245 HIS O O O O . O . . N 0 . . . 1 no no . . . . 33.497 . 43.444 . -7.337 . 0.040 -3.770 1.222 4 . 19245 HIS CB CB CB CB . C . . N 0 . . . 1 no no . . . . 32.005 . 41.080 . -5.734 . 1.484 -0.975 1.962 5 . 19245 HIS CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 31.888 . 39.902 . -6.651 . 2.940 -1.060 2.353 6 . 19245 HIS ND1 ND1 ND1 ND1 . N . . N 1 . . . 1 yes no . . . . 32.539 . 38.710 . -6.414 . 3.380 -2.075 3.129 7 . 19245 HIS CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 31.199 . 39.734 . -7.804 . 3.960 -0.251 2.046 8 . 19245 HIS CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 32.251 . 37.857 . -7.382 . 4.693 -1.908 3.317 9 . 19245 HIS NE2 NE2 NE2 NE2 . N . . N 0 . . . 1 yes no . . . . 31.439 . 38.453 . -8.237 . 5.058 -0.801 2.662 10 . 19245 HIS OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 34.382 . 41.455 . -7.879 . 2.247 -3.882 0.744 11 . 19245 HIS H H H H . H . . N 0 . . . 1 no no . . . . 33.485 . 42.227 . -3.721 . -0.102 -1.155 -0.950 12 . 19245 HIS H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 34.301 . 43.234 . -4.714 . -0.715 -0.741 0.634 13 . 19245 HIS HA HA HA HA . H . . N 0 . . . 1 no no . . . . 34.155 . 40.908 . -5.439 . 1.965 -1.558 -0.089 14 . 19245 HIS HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 31.733 . 40.750 . -4.721 . 1.215 0.087 1.879 15 . 19245 HIS HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 31.337 . 41.860 . -6.127 . 0.859 -1.368 2.775 16 . 19245 HIS HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 33.135 . 38.521 . -5.633 . 2.828 -2.838 3.511 17 . 19245 HIS HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 30.577 . 40.470 . -8.292 . 4.108 0.647 1.479 18 . 19245 HIS HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 32.618 . 36.844 . -7.461 . 5.340 -2.550 3.892 19 . 19245 HIS HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 31.061 . 38.039 . -9.065 . 6.002 -0.428 2.627 20 . 19245 HIS HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 34.553 . 41.905 . -8.698 . 2.188 -4.848 0.901 21 . 19245 HIS 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 N CA no N 1 . 19245 HIS 2 . SING N H no N 2 . 19245 HIS 3 . SING N H2 no N 3 . 19245 HIS 4 . SING CA C no N 4 . 19245 HIS 5 . SING CA CB no N 5 . 19245 HIS 6 . SING CA HA no N 6 . 19245 HIS 7 . DOUB C O no N 7 . 19245 HIS 8 . SING C OXT no N 8 . 19245 HIS 9 . SING CB CG no N 9 . 19245 HIS 10 . SING CB HB2 no N 10 . 19245 HIS 11 . SING CB HB3 no N 11 . 19245 HIS 12 . SING CG ND1 yes N 12 . 19245 HIS 13 . DOUB CG CD2 yes N 13 . 19245 HIS 14 . DOUB ND1 CE1 yes N 14 . 19245 HIS 15 . SING ND1 HD1 no N 15 . 19245 HIS 16 . SING CD2 NE2 yes N 16 . 19245 HIS 17 . SING CD2 HD2 no N 17 . 19245 HIS 18 . SING CE1 NE2 yes N 18 . 19245 HIS 19 . SING CE1 HE1 no N 19 . 19245 HIS 20 . SING NE2 HE2 no N 20 . 19245 HIS 21 . SING OXT HXT no N 21 . 19245 HIS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19245 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Holo-HisJ '[U-13C; U-15N; U-2H]' . . 1 $Holo-HisJ . . 1 . . mM . . . . 19245 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19245 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19245 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19245 1 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 19245 1 6 L-Histidine 'natural abundance' . . 2 $entity_HIS . . 5 . . mM . . . . 19245 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 19245 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19245 1 pH 7 . pH 19245 1 pressure 1 . atm 19245 1 temperature 298 . K 19245 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19245 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19245 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19245 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19245 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19245 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19245 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19245 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19245 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19245 3 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 19245 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19245 _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 Bruker Avance . 700 . . . 19245 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 19245 _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 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19245 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19245 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19245 1 4 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19245 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19245 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19245 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H chemical shifts were referenced to the methyl signal of DSS, and 15N and 13C chemical shifts were indirectly referenced to DSS (0 ppm for 1H).' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19245 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19245 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19245 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 19245 _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 '3D HNCACB' . . . 19245 1 2 '3D CBCA(CO)NH' . . . 19245 1 3 '3D HNCO' . . . 19245 1 4 '2D 1H-15N HSQC' . . . 19245 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 GLY C C 13 174.1000 . . 1 . . . . 2 GLY C . 19245 1 2 . 1 1 2 2 GLY CA C 13 44.7300 . . 1 . . . . 2 GLY CA . 19245 1 3 . 1 1 3 3 MET H H 1 8.4420 . . 1 . . . . 3 MET HN . 19245 1 4 . 1 1 3 3 MET C C 13 176.0000 . . 1 . . . . 3 MET C . 19245 1 5 . 1 1 3 3 MET CA C 13 55.0200 . . 1 . . . . 3 MET CA . 19245 1 6 . 1 1 3 3 MET CB C 13 32.3600 . . 1 . . . . 3 MET CB . 19245 1 7 . 1 1 3 3 MET N N 15 121.2000 . . 1 . . . . 3 MET N . 19245 1 8 . 1 1 4 4 ALA H H 1 8.3830 . . 1 . . . . 4 ALA HN . 19245 1 9 . 1 1 4 4 ALA C C 13 177.3000 . . 1 . . . . 4 ALA C . 19245 1 10 . 1 1 4 4 ALA CA C 13 52.1700 . . 1 . . . . 4 ALA CA . 19245 1 11 . 1 1 4 4 ALA CB C 13 18.3400 . . 1 . . . . 4 ALA CB . 19245 1 12 . 1 1 4 4 ALA N N 15 125.7000 . . 1 . . . . 4 ALA N . 19245 1 13 . 1 1 5 5 ILE H H 1 7.8670 . . 1 . . . . 5 ILE HN . 19245 1 14 . 1 1 5 5 ILE C C 13 174.3000 . . 1 . . . . 5 ILE C . 19245 1 15 . 1 1 5 5 ILE CA C 13 57.7400 . . 1 . . . . 5 ILE CA . 19245 1 16 . 1 1 5 5 ILE CB C 13 37.3100 . . 1 . . . . 5 ILE CB . 19245 1 17 . 1 1 5 5 ILE N N 15 121.3000 . . 1 . . . . 5 ILE N . 19245 1 18 . 1 1 6 6 PRO C C 13 176.1000 . . 1 . . . . 6 PRO C . 19245 1 19 . 1 1 6 6 PRO CA C 13 62.2000 . . 1 . . . . 6 PRO CA . 19245 1 20 . 1 1 6 6 PRO CB C 13 31.6200 . . 1 . . . . 6 PRO CB . 19245 1 21 . 1 1 7 7 GLN H H 1 8.3830 . . 1 . . . . 7 GLN HN . 19245 1 22 . 1 1 7 7 GLN C C 13 175.6000 . . 1 . . . . 7 GLN C . 19245 1 23 . 1 1 7 7 GLN CA C 13 57.1800 . . 1 . . . . 7 GLN CA . 19245 1 24 . 1 1 7 7 GLN CB C 13 28.5400 . . 1 . . . . 7 GLN CB . 19245 1 25 . 1 1 7 7 GLN N N 15 119.3000 . . 1 . . . . 7 GLN N . 19245 1 26 . 1 1 8 8 ASN H H 1 7.4800 . . 1 . . . . 8 ASN HN . 19245 1 27 . 1 1 8 8 ASN C C 13 173.6000 . . 1 . . . . 8 ASN C . 19245 1 28 . 1 1 8 8 ASN CA C 13 51.7500 . . 1 . . . . 8 ASN CA . 19245 1 29 . 1 1 8 8 ASN CB C 13 40.5700 . . 1 . . . . 8 ASN CB . 19245 1 30 . 1 1 8 8 ASN N N 15 116.3000 . . 1 . . . . 8 ASN N . 19245 1 31 . 1 1 9 9 ILE H H 1 8.4260 . . 1 . . . . 9 ILE HN . 19245 1 32 . 1 1 9 9 ILE C C 13 174.7000 . . 1 . . . . 9 ILE C . 19245 1 33 . 1 1 9 9 ILE CA C 13 59.5200 . . 1 . . . . 9 ILE CA . 19245 1 34 . 1 1 9 9 ILE CB C 13 39.7900 . . 1 . . . . 9 ILE CB . 19245 1 35 . 1 1 9 9 ILE N N 15 120.9000 . . 1 . . . . 9 ILE N . 19245 1 36 . 1 1 10 10 ARG H H 1 9.1070 . . 1 . . . . 10 ARG HN . 19245 1 37 . 1 1 10 10 ARG C C 13 175.9000 . . 1 . . . . 10 ARG C . 19245 1 38 . 1 1 10 10 ARG CA C 13 53.9300 . . 1 . . . . 10 ARG CA . 19245 1 39 . 1 1 10 10 ARG CB C 13 30.5500 . . 1 . . . . 10 ARG CB . 19245 1 40 . 1 1 10 10 ARG N N 15 126.5000 . . 1 . . . . 10 ARG N . 19245 1 41 . 1 1 11 11 ILE H H 1 9.3380 . . 1 . . . . 11 ILE HN . 19245 1 42 . 1 1 11 11 ILE C C 13 175.7000 . . 1 . . . . 11 ILE C . 19245 1 43 . 1 1 11 11 ILE CA C 13 59.5200 . . 1 . . . . 11 ILE CA . 19245 1 44 . 1 1 11 11 ILE CB C 13 37.3900 . . 1 . . . . 11 ILE CB . 19245 1 45 . 1 1 11 11 ILE N N 15 127.5000 . . 1 . . . . 11 ILE N . 19245 1 46 . 1 1 12 12 GLY H H 1 9.3870 . . 1 . . . . 12 GLY HN . 19245 1 47 . 1 1 12 12 GLY C C 13 171.7000 . . 1 . . . . 12 GLY C . 19245 1 48 . 1 1 12 12 GLY CA C 13 44.7000 . . 1 . . . . 12 GLY CA . 19245 1 49 . 1 1 12 12 GLY N N 15 114.8000 . . 1 . . . . 12 GLY N . 19245 1 50 . 1 1 13 13 THR H H 1 8.6700 . . 1 . . . . 13 THR HN . 19245 1 51 . 1 1 13 13 THR C C 13 181.3000 . . 1 . . . . 13 THR C . 19245 1 52 . 1 1 13 13 THR CA C 13 61.5400 . . 1 . . . . 13 THR CA . 19245 1 53 . 1 1 13 13 THR CB C 13 70.1300 . . 1 . . . . 13 THR CB . 19245 1 54 . 1 1 13 13 THR N N 15 121.1000 . . 1 . . . . 13 THR N . 19245 1 55 . 1 1 14 14 ASP H H 1 8.1520 . . 1 . . . . 14 ASP HN . 19245 1 56 . 1 1 14 14 ASP C C 13 176.9000 . . 1 . . . . 14 ASP C . 19245 1 57 . 1 1 14 14 ASP CA C 13 49.6600 . . 1 . . . . 14 ASP CA . 19245 1 58 . 1 1 14 14 ASP CB C 13 40.8600 . . 1 . . . . 14 ASP CB . 19245 1 59 . 1 1 14 14 ASP N N 15 127.4000 . . 1 . . . . 14 ASP N . 19245 1 60 . 1 1 15 15 PRO C C 13 175.9000 . . 1 . . . . 15 PRO C . 19245 1 61 . 1 1 15 15 PRO CA C 13 61.7600 . . 1 . . . . 15 PRO CA . 19245 1 62 . 1 1 15 15 PRO CB C 13 27.9900 . . 1 . . . . 15 PRO CB . 19245 1 63 . 1 1 16 16 THR H H 1 8.8410 . . 1 . . . . 16 THR HN . 19245 1 64 . 1 1 16 16 THR C C 13 173.8000 . . 1 . . . . 16 THR C . 19245 1 65 . 1 1 16 16 THR CA C 13 59.7900 . . 1 . . . . 16 THR CA . 19245 1 66 . 1 1 16 16 THR CB C 13 69.8100 . . 1 . . . . 16 THR CB . 19245 1 67 . 1 1 16 16 THR N N 15 115.8000 . . 1 . . . . 16 THR N . 19245 1 68 . 1 1 17 17 TYR H H 1 9.1680 . . 1 . . . . 17 TYR HN . 19245 1 69 . 1 1 17 17 TYR C C 13 175.3000 . . 1 . . . . 17 TYR C . 19245 1 70 . 1 1 17 17 TYR CA C 13 56.1400 . . 1 . . . . 17 TYR CA . 19245 1 71 . 1 1 17 17 TYR CB C 13 40.9700 . . 1 . . . . 17 TYR CB . 19245 1 72 . 1 1 17 17 TYR N N 15 130.5000 . . 1 . . . . 17 TYR N . 19245 1 73 . 1 1 18 18 ALA H H 1 8.6330 . . 1 . . . . 18 ALA HN . 19245 1 74 . 1 1 18 18 ALA C C 13 174.7000 . . 1 . . . . 18 ALA C . 19245 1 75 . 1 1 18 18 ALA CA C 13 51.4300 . . 1 . . . . 18 ALA CA . 19245 1 76 . 1 1 18 18 ALA CB C 13 16.4600 . . 1 . . . . 18 ALA CB . 19245 1 77 . 1 1 18 18 ALA N N 15 129.8000 . . 1 . . . . 18 ALA N . 19245 1 78 . 1 1 19 19 PRO C C 13 173.9000 . . 1 . . . . 19 PRO C . 19245 1 79 . 1 1 19 19 PRO CA C 13 62.9100 . . 1 . . . . 19 PRO CA . 19245 1 80 . 1 1 19 19 PRO CB C 13 31.7300 . . 1 . . . . 19 PRO CB . 19245 1 81 . 1 1 20 20 PHE H H 1 8.4020 . . 1 . . . . 20 PHE HN . 19245 1 82 . 1 1 20 20 PHE C C 13 176.5000 . . 1 . . . . 20 PHE C . 19245 1 83 . 1 1 20 20 PHE CA C 13 62.6100 . . 1 . . . . 20 PHE CA . 19245 1 84 . 1 1 20 20 PHE CB C 13 38.1400 . . 1 . . . . 20 PHE CB . 19245 1 85 . 1 1 20 20 PHE N N 15 125.5000 . . 1 . . . . 20 PHE N . 19245 1 86 . 1 1 21 21 GLU H H 1 7.6680 . . 1 . . . . 21 GLU HN . 19245 1 87 . 1 1 21 21 GLU C C 13 173.7000 . . 1 . . . . 21 GLU C . 19245 1 88 . 1 1 21 21 GLU CA C 13 54.4900 . . 1 . . . . 21 GLU CA . 19245 1 89 . 1 1 21 21 GLU CB C 13 28.9200 . . 1 . . . . 21 GLU CB . 19245 1 90 . 1 1 21 21 GLU N N 15 112.2000 . . 1 . . . . 21 GLU N . 19245 1 91 . 1 1 22 22 SER H H 1 8.9160 . . 1 . . . . 22 SER HN . 19245 1 92 . 1 1 22 22 SER C C 13 171.6000 . . 1 . . . . 22 SER C . 19245 1 93 . 1 1 22 22 SER CA C 13 57.3100 . . 1 . . . . 22 SER CA . 19245 1 94 . 1 1 22 22 SER CB C 13 62.9900 . . 1 . . . . 22 SER CB . 19245 1 95 . 1 1 22 22 SER N N 15 117.9000 . . 1 . . . . 22 SER N . 19245 1 96 . 1 1 23 23 LYS H H 1 8.2880 . . 1 . . . . 23 LYS HN . 19245 1 97 . 1 1 23 23 LYS C C 13 177.6000 . . 1 . . . . 23 LYS C . 19245 1 98 . 1 1 23 23 LYS CA C 13 53.7500 . . 1 . . . . 23 LYS CA . 19245 1 99 . 1 1 23 23 LYS CB C 13 33.7200 . . 1 . . . . 23 LYS CB . 19245 1 100 . 1 1 23 23 LYS N N 15 117.5000 . . 1 . . . . 23 LYS N . 19245 1 101 . 1 1 24 24 ASN H H 1 8.5640 . . 1 . . . . 24 ASN HN . 19245 1 102 . 1 1 24 24 ASN C C 13 178.0000 . . 1 . . . . 24 ASN C . 19245 1 103 . 1 1 24 24 ASN CA C 13 50.5900 . . 1 . . . . 24 ASN CA . 19245 1 104 . 1 1 24 24 ASN CB C 13 38.1800 . . 1 . . . . 24 ASN CB . 19245 1 105 . 1 1 24 24 ASN N N 15 122.2000 . . 1 . . . . 24 ASN N . 19245 1 106 . 1 1 25 25 SER C C 13 175.4000 . . 1 . . . . 25 SER C . 19245 1 107 . 1 1 25 25 SER CA C 13 60.9500 . . 1 . . . . 25 SER CA . 19245 1 108 . 1 1 25 25 SER CB C 13 62.4600 . . 1 . . . . 25 SER CB . 19245 1 109 . 1 1 26 26 GLN H H 1 7.5300 . . 1 . . . . 26 GLN HN . 19245 1 110 . 1 1 26 26 GLN C C 13 176.2000 . . 1 . . . . 26 GLN C . 19245 1 111 . 1 1 26 26 GLN CA C 13 55.2000 . . 1 . . . . 26 GLN CA . 19245 1 112 . 1 1 26 26 GLN CB C 13 28.2800 . . 1 . . . . 26 GLN CB . 19245 1 113 . 1 1 26 26 GLN N N 15 119.3000 . . 1 . . . . 26 GLN N . 19245 1 114 . 1 1 27 27 GLY H H 1 8.1790 . . 1 . . . . 27 GLY HN . 19245 1 115 . 1 1 27 27 GLY C C 13 173.8000 . . 1 . . . . 27 GLY C . 19245 1 116 . 1 1 27 27 GLY CA C 13 45.0800 . . 1 . . . . 27 GLY CA . 19245 1 117 . 1 1 27 27 GLY N N 15 108.8000 . . 1 . . . . 27 GLY N . 19245 1 118 . 1 1 28 28 GLU H H 1 7.8440 . . 1 . . . . 28 GLU HN . 19245 1 119 . 1 1 28 28 GLU C C 13 175.8000 . . 1 . . . . 28 GLU C . 19245 1 120 . 1 1 28 28 GLU CA C 13 54.5100 . . 1 . . . . 28 GLU CA . 19245 1 121 . 1 1 28 28 GLU CB C 13 29.7400 . . 1 . . . . 28 GLU CB . 19245 1 122 . 1 1 28 28 GLU N N 15 121.2000 . . 1 . . . . 28 GLU N . 19245 1 123 . 1 1 29 29 LEU H H 1 8.2920 . . 1 . . . . 29 LEU HN . 19245 1 124 . 1 1 29 29 LEU C C 13 176.5000 . . 1 . . . . 29 LEU C . 19245 1 125 . 1 1 29 29 LEU CA C 13 54.3800 . . 1 . . . . 29 LEU CA . 19245 1 126 . 1 1 29 29 LEU CB C 13 41.2100 . . 1 . . . . 29 LEU CB . 19245 1 127 . 1 1 29 29 LEU N N 15 123.4000 . . 1 . . . . 29 LEU N . 19245 1 128 . 1 1 30 30 VAL H H 1 8.9450 . . 1 . . . . 30 VAL HN . 19245 1 129 . 1 1 30 30 VAL C C 13 175.2000 . . 1 . . . . 30 VAL C . 19245 1 130 . 1 1 30 30 VAL CA C 13 58.3800 . . 1 . . . . 30 VAL CA . 19245 1 131 . 1 1 30 30 VAL CB C 13 36.1400 . . 1 . . . . 30 VAL CB . 19245 1 132 . 1 1 30 30 VAL N N 15 118.4000 . . 1 . . . . 30 VAL N . 19245 1 133 . 1 1 31 31 GLY H H 1 8.5280 . . 1 . . . . 31 GLY HN . 19245 1 134 . 1 1 31 31 GLY C C 13 174.7000 . . 1 . . . . 31 GLY C . 19245 1 135 . 1 1 31 31 GLY CA C 13 43.8700 . . 1 . . . . 31 GLY CA . 19245 1 136 . 1 1 31 31 GLY N N 15 109.4000 . . 1 . . . . 31 GLY N . 19245 1 137 . 1 1 32 32 PHE H H 1 8.0620 . . 1 . . . . 32 PHE HN . 19245 1 138 . 1 1 32 32 PHE C C 13 177.9000 . . 1 . . . . 32 PHE C . 19245 1 139 . 1 1 32 32 PHE CA C 13 59.9600 . . 1 . . . . 32 PHE CA . 19245 1 140 . 1 1 32 32 PHE CB C 13 38.9800 . . 1 . . . . 32 PHE CB . 19245 1 141 . 1 1 32 32 PHE N N 15 119.8000 . . 1 . . . . 32 PHE N . 19245 1 142 . 1 1 33 33 ASP H H 1 9.0740 . . 1 . . . . 33 ASP HN . 19245 1 143 . 1 1 33 33 ASP C C 13 179.2000 . . 1 . . . . 33 ASP C . 19245 1 144 . 1 1 33 33 ASP CA C 13 56.2600 . . 1 . . . . 33 ASP CA . 19245 1 145 . 1 1 33 33 ASP CB C 13 38.5700 . . 1 . . . . 33 ASP CB . 19245 1 146 . 1 1 33 33 ASP N N 15 116.1000 . . 1 . . . . 33 ASP N . 19245 1 147 . 1 1 34 34 ILE H H 1 6.6070 . . 1 . . . . 34 ILE HN . 19245 1 148 . 1 1 34 34 ILE C C 13 178.0000 . . 1 . . . . 34 ILE C . 19245 1 149 . 1 1 34 34 ILE CA C 13 60.9500 . . 1 . . . . 34 ILE CA . 19245 1 150 . 1 1 34 34 ILE CB C 13 33.6600 . . 1 . . . . 34 ILE CB . 19245 1 151 . 1 1 34 34 ILE N N 15 119.2000 . . 1 . . . . 34 ILE N . 19245 1 152 . 1 1 35 35 ASP H H 1 8.4770 . . 1 . . . . 35 ASP HN . 19245 1 153 . 1 1 35 35 ASP C C 13 180.3000 . . 1 . . . . 35 ASP C . 19245 1 154 . 1 1 35 35 ASP CA C 13 57.1300 . . 1 . . . . 35 ASP CA . 19245 1 155 . 1 1 35 35 ASP CB C 13 40.3400 . . 1 . . . . 35 ASP CB . 19245 1 156 . 1 1 35 35 ASP N N 15 120.9000 . . 1 . . . . 35 ASP N . 19245 1 157 . 1 1 36 36 LEU H H 1 8.4720 . . 1 . . . . 36 LEU HN . 19245 1 158 . 1 1 36 36 LEU C C 13 178.4000 . . 1 . . . . 36 LEU C . 19245 1 159 . 1 1 36 36 LEU CA C 13 57.7900 . . 1 . . . . 36 LEU CA . 19245 1 160 . 1 1 36 36 LEU CB C 13 42.2700 . . 1 . . . . 36 LEU CB . 19245 1 161 . 1 1 36 36 LEU N N 15 120.4000 . . 1 . . . . 36 LEU N . 19245 1 162 . 1 1 37 37 ALA H H 1 8.4490 . . 1 . . . . 37 ALA HN . 19245 1 163 . 1 1 37 37 ALA C C 13 178.5000 . . 1 . . . . 37 ALA C . 19245 1 164 . 1 1 37 37 ALA CA C 13 55.1400 . . 1 . . . . 37 ALA CA . 19245 1 165 . 1 1 37 37 ALA CB C 13 17.3200 . . 1 . . . . 37 ALA CB . 19245 1 166 . 1 1 37 37 ALA N N 15 120.0000 . . 1 . . . . 37 ALA N . 19245 1 167 . 1 1 38 38 LYS H H 1 8.7830 . . 1 . . . . 38 LYS HN . 19245 1 168 . 1 1 38 38 LYS C C 13 180.1000 . . 1 . . . . 38 LYS C . 19245 1 169 . 1 1 38 38 LYS CA C 13 60.5400 . . 1 . . . . 38 LYS CA . 19245 1 170 . 1 1 38 38 LYS CB C 13 31.8500 . . 1 . . . . 38 LYS CB . 19245 1 171 . 1 1 38 38 LYS N N 15 116.4000 . . 1 . . . . 38 LYS N . 19245 1 172 . 1 1 39 39 GLU H H 1 7.6970 . . 1 . . . . 39 GLU HN . 19245 1 173 . 1 1 39 39 GLU C C 13 178.3000 . . 1 . . . . 39 GLU C . 19245 1 174 . 1 1 39 39 GLU CA C 13 58.4000 . . 1 . . . . 39 GLU CA . 19245 1 175 . 1 1 39 39 GLU CB C 13 27.9600 . . 1 . . . . 39 GLU CB . 19245 1 176 . 1 1 39 39 GLU N N 15 121.5000 . . 1 . . . . 39 GLU N . 19245 1 177 . 1 1 40 40 LEU H H 1 8.5760 . . 1 . . . . 40 LEU HN . 19245 1 178 . 1 1 40 40 LEU C C 13 178.6000 . . 1 . . . . 40 LEU C . 19245 1 179 . 1 1 40 40 LEU CA C 13 58.4800 . . 1 . . . . 40 LEU CA . 19245 1 180 . 1 1 40 40 LEU CB C 13 40.2300 . . 1 . . . . 40 LEU CB . 19245 1 181 . 1 1 40 40 LEU N N 15 121.5000 . . 1 . . . . 40 LEU N . 19245 1 182 . 1 1 41 41 CYS H H 1 8.6170 . . 1 . . . . 41 CYS HN . 19245 1 183 . 1 1 41 41 CYS C C 13 175.8000 . . 1 . . . . 41 CYS C . 19245 1 184 . 1 1 41 41 CYS CA C 13 62.5200 . . 1 . . . . 41 CYS CA . 19245 1 185 . 1 1 41 41 CYS CB C 13 46.9400 . . 1 . . . . 41 CYS CB . 19245 1 186 . 1 1 41 41 CYS N N 15 115.7000 . . 1 . . . . 41 CYS N . 19245 1 187 . 1 1 42 42 LYS H H 1 7.4940 . . 1 . . . . 42 LYS HN . 19245 1 188 . 1 1 42 42 LYS C C 13 180.8000 . . 1 . . . . 42 LYS C . 19245 1 189 . 1 1 42 42 LYS CA C 13 58.8100 . . 1 . . . . 42 LYS CA . 19245 1 190 . 1 1 42 42 LYS CB C 13 31.4000 . . 1 . . . . 42 LYS CB . 19245 1 191 . 1 1 42 42 LYS N N 15 119.3000 . . 1 . . . . 42 LYS N . 19245 1 192 . 1 1 43 43 ARG H H 1 8.0780 . . 1 . . . . 43 ARG HN . 19245 1 193 . 1 1 43 43 ARG C C 13 178.7000 . . 1 . . . . 43 ARG C . 19245 1 194 . 1 1 43 43 ARG CA C 13 58.8000 . . 1 . . . . 43 ARG CA . 19245 1 195 . 1 1 43 43 ARG CB C 13 29.9900 . . 1 . . . . 43 ARG CB . 19245 1 196 . 1 1 43 43 ARG N N 15 119.6000 . . 1 . . . . 43 ARG N . 19245 1 197 . 1 1 44 44 ILE H H 1 7.7680 . . 1 . . . . 44 ILE HN . 19245 1 198 . 1 1 44 44 ILE C C 13 175.0000 . . 1 . . . . 44 ILE C . 19245 1 199 . 1 1 44 44 ILE CA C 13 60.9500 . . 1 . . . . 44 ILE CA . 19245 1 200 . 1 1 44 44 ILE CB C 13 36.6200 . . 1 . . . . 44 ILE CB . 19245 1 201 . 1 1 44 44 ILE N N 15 111.7000 . . 1 . . . . 44 ILE N . 19245 1 202 . 1 1 45 45 ASN H H 1 7.7580 . . 1 . . . . 45 ASN HN . 19245 1 203 . 1 1 45 45 ASN C C 13 173.6000 . . 1 . . . . 45 ASN C . 19245 1 204 . 1 1 45 45 ASN CA C 13 53.6200 . . 1 . . . . 45 ASN CA . 19245 1 205 . 1 1 45 45 ASN CB C 13 36.6300 . . 1 . . . . 45 ASN CB . 19245 1 206 . 1 1 45 45 ASN N N 15 118.8000 . . 1 . . . . 45 ASN N . 19245 1 207 . 1 1 46 46 THR H H 1 7.9240 . . 1 . . . . 46 THR HN . 19245 1 208 . 1 1 46 46 THR C C 13 173.1000 . . 1 . . . . 46 THR C . 19245 1 209 . 1 1 46 46 THR CA C 13 60.0300 . . 1 . . . . 46 THR CA . 19245 1 210 . 1 1 46 46 THR CB C 13 70.5000 . . 1 . . . . 46 THR CB . 19245 1 211 . 1 1 46 46 THR N N 15 112.8000 . . 1 . . . . 46 THR N . 19245 1 212 . 1 1 47 47 GLN H H 1 8.0400 . . 1 . . . . 47 GLN HN . 19245 1 213 . 1 1 47 47 GLN C C 13 175.4000 . . 1 . . . . 47 GLN C . 19245 1 214 . 1 1 47 47 GLN CA C 13 54.5800 . . 1 . . . . 47 GLN CA . 19245 1 215 . 1 1 47 47 GLN CB C 13 28.6600 . . 1 . . . . 47 GLN CB . 19245 1 216 . 1 1 47 47 GLN N N 15 123.5000 . . 1 . . . . 47 GLN N . 19245 1 217 . 1 1 48 48 CYS H H 1 8.8790 . . 1 . . . . 48 CYS HN . 19245 1 218 . 1 1 48 48 CYS C C 13 173.7000 . . 1 . . . . 48 CYS C . 19245 1 219 . 1 1 48 48 CYS CA C 13 53.1400 . . 1 . . . . 48 CYS CA . 19245 1 220 . 1 1 48 48 CYS CB C 13 47.4700 . . 1 . . . . 48 CYS CB . 19245 1 221 . 1 1 48 48 CYS N N 15 123.8000 . . 1 . . . . 48 CYS N . 19245 1 222 . 1 1 49 49 THR H H 1 8.3340 . . 1 . . . . 49 THR HN . 19245 1 223 . 1 1 49 49 THR C C 13 172.6000 . . 1 . . . . 49 THR C . 19245 1 224 . 1 1 49 49 THR CA C 13 60.1000 . . 1 . . . . 49 THR CA . 19245 1 225 . 1 1 49 49 THR CB C 13 71.0000 . . 1 . . . . 49 THR CB . 19245 1 226 . 1 1 49 49 THR N N 15 118.5000 . . 1 . . . . 49 THR N . 19245 1 227 . 1 1 50 50 PHE H H 1 8.9730 . . 1 . . . . 50 PHE HN . 19245 1 228 . 1 1 50 50 PHE C C 13 175.8000 . . 1 . . . . 50 PHE C . 19245 1 229 . 1 1 50 50 PHE CA C 13 57.3800 . . 1 . . . . 50 PHE CA . 19245 1 230 . 1 1 50 50 PHE CB C 13 40.7600 . . 1 . . . . 50 PHE CB . 19245 1 231 . 1 1 50 50 PHE N N 15 123.4000 . . 1 . . . . 50 PHE N . 19245 1 232 . 1 1 51 51 VAL H H 1 9.2710 . . 1 . . . . 51 VAL HN . 19245 1 233 . 1 1 51 51 VAL C C 13 174.7000 . . 1 . . . . 51 VAL C . 19245 1 234 . 1 1 51 51 VAL CA C 13 60.7700 . . 1 . . . . 51 VAL CA . 19245 1 235 . 1 1 51 51 VAL CB C 13 33.5900 . . 1 . . . . 51 VAL CB . 19245 1 236 . 1 1 51 51 VAL N N 15 126.6000 . . 1 . . . . 51 VAL N . 19245 1 237 . 1 1 52 52 GLU H H 1 8.5990 . . 1 . . . . 52 GLU HN . 19245 1 238 . 1 1 52 52 GLU C C 13 176.9000 . . 1 . . . . 52 GLU C . 19245 1 239 . 1 1 52 52 GLU CA C 13 54.3900 . . 1 . . . . 52 GLU CA . 19245 1 240 . 1 1 52 52 GLU CB C 13 29.4900 . . 1 . . . . 52 GLU CB . 19245 1 241 . 1 1 52 52 GLU N N 15 126.9000 . . 1 . . . . 52 GLU N . 19245 1 242 . 1 1 53 53 ASN H H 1 9.0230 . . 1 . . . . 53 ASN HN . 19245 1 243 . 1 1 53 53 ASN C C 13 170.6400 . . 1 . . . . 53 ASN C . 19245 1 244 . 1 1 53 53 ASN CA C 13 51.4000 . . 1 . . . . 53 ASN CA . 19245 1 245 . 1 1 53 53 ASN CB C 13 43.9400 . . 1 . . . . 53 ASN CB . 19245 1 246 . 1 1 53 53 ASN N N 15 127.0000 . . 1 . . . . 53 ASN N . 19245 1 247 . 1 1 54 54 PRO C C 13 178.2000 . . 1 . . . . 54 PRO C . 19245 1 248 . 1 1 54 54 PRO CA C 13 62.0300 . . 1 . . . . 54 PRO CA . 19245 1 249 . 1 1 54 54 PRO CB C 13 31.6200 . . 1 . . . . 54 PRO CB . 19245 1 250 . 1 1 55 55 LEU H H 1 8.5410 . . 1 . . . . 55 LEU HN . 19245 1 251 . 1 1 55 55 LEU C C 13 179.9000 . . 1 . . . . 55 LEU C . 19245 1 252 . 1 1 55 55 LEU CA C 13 57.6700 . . 1 . . . . 55 LEU CA . 19245 1 253 . 1 1 55 55 LEU CB C 13 40.7600 . . 1 . . . . 55 LEU CB . 19245 1 254 . 1 1 55 55 LEU N N 15 123.5000 . . 1 . . . . 55 LEU N . 19245 1 255 . 1 1 56 56 ASP H H 1 8.4760 . . 1 . . . . 56 ASP HN . 19245 1 256 . 1 1 56 56 ASP C C 13 175.2000 . . 1 . . . . 56 ASP C . 19245 1 257 . 1 1 56 56 ASP CA C 13 55.9500 . . 1 . . . . 56 ASP CA . 19245 1 258 . 1 1 56 56 ASP CB C 13 39.8900 . . 1 . . . . 56 ASP CB . 19245 1 259 . 1 1 56 56 ASP N N 15 114.4000 . . 1 . . . . 56 ASP N . 19245 1 260 . 1 1 57 57 ALA H H 1 7.9080 . . 1 . . . . 57 ALA HN . 19245 1 261 . 1 1 57 57 ALA C C 13 180.3000 . . 1 . . . . 57 ALA C . 19245 1 262 . 1 1 57 57 ALA CA C 13 51.3300 . . 1 . . . . 57 ALA CA . 19245 1 263 . 1 1 57 57 ALA CB C 13 19.0700 . . 1 . . . . 57 ALA CB . 19245 1 264 . 1 1 57 57 ALA N N 15 120.8000 . . 1 . . . . 57 ALA N . 19245 1 265 . 1 1 58 58 LEU H H 1 7.8180 . . 1 . . . . 58 LEU HN . 19245 1 266 . 1 1 58 58 LEU C C 13 177.7000 . . 1 . . . . 58 LEU C . 19245 1 267 . 1 1 58 58 LEU CA C 13 59.0000 . . 1 . . . . 58 LEU CA . 19245 1 268 . 1 1 58 58 LEU CB C 13 39.8000 . . 1 . . . . 58 LEU CB . 19245 1 269 . 1 1 58 58 LEU N N 15 121.8000 . . 1 . . . . 58 LEU N . 19245 1 270 . 1 1 59 59 ILE H H 1 9.3860 . . 1 . . . . 59 ILE HN . 19245 1 271 . 1 1 59 59 ILE C C 13 176.4000 . . 1 . . . . 59 ILE C . 19245 1 272 . 1 1 59 59 ILE CA C 13 68.4200 . . 1 . . . . 59 ILE CA . 19245 1 273 . 1 1 59 59 ILE CB C 13 34.0700 . . 1 . . . . 59 ILE CB . 19245 1 274 . 1 1 59 59 ILE N N 15 120.6000 . . 1 . . . . 59 ILE N . 19245 1 275 . 1 1 60 60 PRO C C 13 180.1000 . . 1 . . . . 60 PRO C . 19245 1 276 . 1 1 60 60 PRO CA C 13 65.8700 . . 1 . . . . 60 PRO CA . 19245 1 277 . 1 1 60 60 PRO CB C 13 30.0100 . . 1 . . . . 60 PRO CB . 19245 1 278 . 1 1 61 61 SER H H 1 7.7900 . . 1 . . . . 61 SER HN . 19245 1 279 . 1 1 61 61 SER C C 13 175.5000 . . 1 . . . . 61 SER C . 19245 1 280 . 1 1 61 61 SER CA C 13 62.2300 . . 1 . . . . 61 SER CA . 19245 1 281 . 1 1 61 61 SER N N 15 114.8000 . . 1 . . . . 61 SER N . 19245 1 282 . 1 1 62 62 LEU H H 1 8.3610 . . 1 . . . . 62 LEU HN . 19245 1 283 . 1 1 62 62 LEU C C 13 181.0000 . . 1 . . . . 62 LEU C . 19245 1 284 . 1 1 62 62 LEU CA C 13 57.4000 . . 1 . . . . 62 LEU CA . 19245 1 285 . 1 1 62 62 LEU CB C 13 41.8400 . . 1 . . . . 62 LEU CB . 19245 1 286 . 1 1 62 62 LEU N N 15 126.1000 . . 1 . . . . 62 LEU N . 19245 1 287 . 1 1 63 63 LYS H H 1 8.3480 . . 1 . . . . 63 LYS HN . 19245 1 288 . 1 1 63 63 LYS C C 13 178.0000 . . 1 . . . . 63 LYS C . 19245 1 289 . 1 1 63 63 LYS CA C 13 59.4900 . . 1 . . . . 63 LYS CA . 19245 1 290 . 1 1 63 63 LYS CB C 13 30.7900 . . 1 . . . . 63 LYS CB . 19245 1 291 . 1 1 63 63 LYS N N 15 120.9000 . . 1 . . . . 63 LYS N . 19245 1 292 . 1 1 64 64 ALA H H 1 7.6510 . . 1 . . . . 64 ALA HN . 19245 1 293 . 1 1 64 64 ALA C C 13 176.2000 . . 1 . . . . 64 ALA C . 19245 1 294 . 1 1 64 64 ALA CA C 13 51.6800 . . 1 . . . . 64 ALA CA . 19245 1 295 . 1 1 64 64 ALA CB C 13 18.1500 . . 1 . . . . 64 ALA CB . 19245 1 296 . 1 1 64 64 ALA N N 15 118.6000 . . 1 . . . . 64 ALA N . 19245 1 297 . 1 1 65 65 LYS H H 1 7.7390 . . 1 . . . . 65 LYS HN . 19245 1 298 . 1 1 65 65 LYS C C 13 175.9000 . . 1 . . . . 65 LYS C . 19245 1 299 . 1 1 65 65 LYS CA C 13 57.8500 . . 1 . . . . 65 LYS CA . 19245 1 300 . 1 1 65 65 LYS CB C 13 27.7900 . . 1 . . . . 65 LYS CB . 19245 1 301 . 1 1 65 65 LYS N N 15 112.2000 . . 1 . . . . 65 LYS N . 19245 1 302 . 1 1 66 66 LYS H H 1 8.3980 . . 1 . . . . 66 LYS HN . 19245 1 303 . 1 1 66 66 LYS C C 13 176.4000 . . 1 . . . . 66 LYS C . 19245 1 304 . 1 1 66 66 LYS CA C 13 57.2100 . . 1 . . . . 66 LYS CA . 19245 1 305 . 1 1 66 66 LYS CB C 13 32.2300 . . 1 . . . . 66 LYS CB . 19245 1 306 . 1 1 66 66 LYS N N 15 118.2000 . . 1 . . . . 66 LYS N . 19245 1 307 . 1 1 67 67 ILE H H 1 7.0250 . . 1 . . . . 67 ILE HN . 19245 1 308 . 1 1 67 67 ILE C C 13 174.0000 . . 1 . . . . 67 ILE C . 19245 1 309 . 1 1 67 67 ILE CA C 13 59.0400 . . 1 . . . . 67 ILE CA . 19245 1 310 . 1 1 67 67 ILE CB C 13 40.4700 . . 1 . . . . 67 ILE CB . 19245 1 311 . 1 1 67 67 ILE N N 15 107.4000 . . 1 . . . . 67 ILE N . 19245 1 312 . 1 1 68 68 ASP H H 1 9.7530 . . 1 . . . . 68 ASP HN . 19245 1 313 . 1 1 68 68 ASP C C 13 172.2000 . . 1 . . . . 68 ASP C . 19245 1 314 . 1 1 68 68 ASP CA C 13 55.5100 . . 1 . . . . 68 ASP CA . 19245 1 315 . 1 1 68 68 ASP CB C 13 44.1600 . . 1 . . . . 68 ASP CB . 19245 1 316 . 1 1 68 68 ASP N N 15 119.2000 . . 1 . . . . 68 ASP N . 19245 1 317 . 1 1 69 69 ALA H H 1 7.6950 . . 1 . . . . 69 ALA HN . 19245 1 318 . 1 1 69 69 ALA C C 13 175.9000 . . 1 . . . . 69 ALA C . 19245 1 319 . 1 1 69 69 ALA CA C 13 50.0800 . . 1 . . . . 69 ALA CA . 19245 1 320 . 1 1 69 69 ALA CB C 13 21.8900 . . 1 . . . . 69 ALA CB . 19245 1 321 . 1 1 69 69 ALA N N 15 117.3000 . . 1 . . . . 69 ALA N . 19245 1 322 . 1 1 70 70 ILE H H 1 9.4320 . . 1 . . . . 70 ILE HN . 19245 1 323 . 1 1 70 70 ILE C C 13 174.7000 . . 1 . . . . 70 ILE C . 19245 1 324 . 1 1 70 70 ILE CA C 13 60.1500 . . 1 . . . . 70 ILE CA . 19245 1 325 . 1 1 70 70 ILE CB C 13 41.1900 . . 1 . . . . 70 ILE CB . 19245 1 326 . 1 1 70 70 ILE N N 15 120.5000 . . 1 . . . . 70 ILE N . 19245 1 327 . 1 1 71 71 MET H H 1 8.4780 . . 1 . . . . 71 MET HN . 19245 1 328 . 1 1 71 71 MET C C 13 172.5000 . . 1 . . . . 71 MET C . 19245 1 329 . 1 1 71 71 MET CA C 13 53.0700 . . 1 . . . . 71 MET CA . 19245 1 330 . 1 1 71 71 MET CB C 13 34.0000 . . 1 . . . . 71 MET CB . 19245 1 331 . 1 1 71 71 MET N N 15 127.9000 . . 1 . . . . 71 MET N . 19245 1 332 . 1 1 72 72 SER H H 1 8.7710 . . 1 . . . . 72 SER HN . 19245 1 333 . 1 1 72 72 SER C C 13 173.9000 . . 1 . . . . 72 SER C . 19245 1 334 . 1 1 72 72 SER CA C 13 58.0700 . . 1 . . . . 72 SER CA . 19245 1 335 . 1 1 72 72 SER CB C 13 64.6200 . . 1 . . . . 72 SER CB . 19245 1 336 . 1 1 72 72 SER N N 15 123.3000 . . 1 . . . . 72 SER N . 19245 1 337 . 1 1 73 73 SER H H 1 8.7470 . . 1 . . . . 73 SER HN . 19245 1 338 . 1 1 73 73 SER C C 13 174.4000 . . 1 . . . . 73 SER C . 19245 1 339 . 1 1 73 73 SER CA C 13 58.9300 . . 1 . . . . 73 SER CA . 19245 1 340 . 1 1 73 73 SER CB C 13 64.2500 . . 1 . . . . 73 SER CB . 19245 1 341 . 1 1 73 73 SER N N 15 124.2000 . . 1 . . . . 73 SER N . 19245 1 342 . 1 1 74 74 LEU H H 1 9.0120 . . 1 . . . . 74 LEU HN . 19245 1 343 . 1 1 74 74 LEU C C 13 175.2000 . . 1 . . . . 74 LEU C . 19245 1 344 . 1 1 74 74 LEU CA C 13 54.4200 . . 1 . . . . 74 LEU CA . 19245 1 345 . 1 1 74 74 LEU CB C 13 42.6500 . . 1 . . . . 74 LEU CB . 19245 1 346 . 1 1 74 74 LEU N N 15 122.2000 . . 1 . . . . 74 LEU N . 19245 1 347 . 1 1 75 75 SER H H 1 9.4530 . . 1 . . . . 75 SER HN . 19245 1 348 . 1 1 75 75 SER C C 13 173.0000 . . 1 . . . . 75 SER C . 19245 1 349 . 1 1 75 75 SER CA C 13 60.0200 . . 1 . . . . 75 SER CA . 19245 1 350 . 1 1 75 75 SER CB C 13 63.2000 . . 1 . . . . 75 SER CB . 19245 1 351 . 1 1 75 75 SER N N 15 124.6000 . . 1 . . . . 75 SER N . 19245 1 352 . 1 1 76 76 ILE H H 1 8.3600 . . 1 . . . . 76 ILE HN . 19245 1 353 . 1 1 76 76 ILE C C 13 175.5000 . . 1 . . . . 76 ILE C . 19245 1 354 . 1 1 76 76 ILE CA C 13 60.9600 . . 1 . . . . 76 ILE CA . 19245 1 355 . 1 1 76 76 ILE CB C 13 36.3900 . . 1 . . . . 76 ILE CB . 19245 1 356 . 1 1 76 76 ILE N N 15 125.2000 . . 1 . . . . 76 ILE N . 19245 1 357 . 1 1 77 77 THR H H 1 6.0830 . . 1 . . . . 77 THR HN . 19245 1 358 . 1 1 77 77 THR C C 13 174.9000 . . 1 . . . . 77 THR C . 19245 1 359 . 1 1 77 77 THR CA C 13 57.3200 . . 1 . . . . 77 THR CA . 19245 1 360 . 1 1 77 77 THR CB C 13 72.0000 . . 1 . . . . 77 THR CB . 19245 1 361 . 1 1 77 77 THR N N 15 115.3000 . . 1 . . . . 77 THR N . 19245 1 362 . 1 1 78 78 GLU H H 1 9.0480 . . 1 . . . . 78 GLU HN . 19245 1 363 . 1 1 78 78 GLU C C 13 179.2000 . . 1 . . . . 78 GLU C . 19245 1 364 . 1 1 78 78 GLU CA C 13 59.0800 . . 1 . . . . 78 GLU CA . 19245 1 365 . 1 1 78 78 GLU CB C 13 28.9800 . . 1 . . . . 78 GLU CB . 19245 1 366 . 1 1 78 78 GLU N N 15 124.0000 . . 1 . . . . 78 GLU N . 19245 1 367 . 1 1 79 79 LYS H H 1 8.4930 . . 1 . . . . 79 LYS HN . 19245 1 368 . 1 1 79 79 LYS C C 13 180.7000 . . 1 . . . . 79 LYS C . 19245 1 369 . 1 1 79 79 LYS CA C 13 58.9000 . . 1 . . . . 79 LYS CA . 19245 1 370 . 1 1 79 79 LYS CB C 13 31.6700 . . 1 . . . . 79 LYS CB . 19245 1 371 . 1 1 79 79 LYS N N 15 119.3000 . . 1 . . . . 79 LYS N . 19245 1 372 . 1 1 80 80 ARG H H 1 7.5680 . . 1 . . . . 80 ARG HN . 19245 1 373 . 1 1 80 80 ARG C C 13 179.2000 . . 1 . . . . 80 ARG C . 19245 1 374 . 1 1 80 80 ARG CA C 13 59.3400 . . 1 . . . . 80 ARG CA . 19245 1 375 . 1 1 80 80 ARG CB C 13 30.5700 . . 1 . . . . 80 ARG CB . 19245 1 376 . 1 1 80 80 ARG N N 15 118.7000 . . 1 . . . . 80 ARG N . 19245 1 377 . 1 1 81 81 GLN H H 1 8.5820 . . 1 . . . . 81 GLN HN . 19245 1 378 . 1 1 81 81 GLN C C 13 176.6000 . . 1 . . . . 81 GLN C . 19245 1 379 . 1 1 81 81 GLN CA C 13 57.2700 . . 1 . . . . 81 GLN CA . 19245 1 380 . 1 1 81 81 GLN CB C 13 28.6900 . . 1 . . . . 81 GLN CB . 19245 1 381 . 1 1 81 81 GLN N N 15 119.7000 . . 1 . . . . 81 GLN N . 19245 1 382 . 1 1 82 82 GLN H H 1 7.2540 . . 1 . . . . 82 GLN HN . 19245 1 383 . 1 1 82 82 GLN C C 13 177.4000 . . 1 . . . . 82 GLN C . 19245 1 384 . 1 1 82 82 GLN CA C 13 57.3100 . . 1 . . . . 82 GLN CA . 19245 1 385 . 1 1 82 82 GLN CB C 13 27.9800 . . 1 . . . . 82 GLN CB . 19245 1 386 . 1 1 82 82 GLN N N 15 115.4000 . . 1 . . . . 82 GLN N . 19245 1 387 . 1 1 83 83 GLU H H 1 7.6870 . . 1 . . . . 83 GLU HN . 19245 1 388 . 1 1 83 83 GLU C C 13 176.3000 . . 1 . . . . 83 GLU C . 19245 1 389 . 1 1 83 83 GLU CA C 13 56.8000 . . 1 . . . . 83 GLU CA . 19245 1 390 . 1 1 83 83 GLU CB C 13 33.1300 . . 1 . . . . 83 GLU CB . 19245 1 391 . 1 1 83 83 GLU N N 15 115.3000 . . 1 . . . . 83 GLU N . 19245 1 392 . 1 1 84 84 ILE H H 1 8.3470 . . 1 . . . . 84 ILE HN . 19245 1 393 . 1 1 84 84 ILE C C 13 172.4000 . . 1 . . . . 84 ILE C . 19245 1 394 . 1 1 84 84 ILE CA C 13 59.4900 . . 1 . . . . 84 ILE CA . 19245 1 395 . 1 1 84 84 ILE CB C 13 40.8000 . . 1 . . . . 84 ILE CB . 19245 1 396 . 1 1 84 84 ILE N N 15 115.4000 . . 1 . . . . 84 ILE N . 19245 1 397 . 1 1 85 85 ALA H H 1 8.7740 . . 1 . . . . 85 ALA HN . 19245 1 398 . 1 1 85 85 ALA C C 13 174.9000 . . 1 . . . . 85 ALA C . 19245 1 399 . 1 1 85 85 ALA CA C 13 49.0600 . . 1 . . . . 85 ALA CA . 19245 1 400 . 1 1 85 85 ALA CB C 13 22.4900 . . 1 . . . . 85 ALA CB . 19245 1 401 . 1 1 85 85 ALA N N 15 120.5000 . . 1 . . . . 85 ALA N . 19245 1 402 . 1 1 86 86 PHE H H 1 8.3300 . . 1 . . . . 86 PHE HN . 19245 1 403 . 1 1 86 86 PHE C C 13 178.5000 . . 1 . . . . 86 PHE C . 19245 1 404 . 1 1 86 86 PHE CA C 13 55.7000 . . 1 . . . . 86 PHE CA . 19245 1 405 . 1 1 86 86 PHE CB C 13 44.9100 . . 1 . . . . 86 PHE CB . 19245 1 406 . 1 1 86 86 PHE N N 15 115.1000 . . 1 . . . . 86 PHE N . 19245 1 407 . 1 1 87 87 THR H H 1 7.8530 . . 1 . . . . 87 THR HN . 19245 1 408 . 1 1 87 87 THR C C 13 174.6000 . . 1 . . . . 87 THR C . 19245 1 409 . 1 1 87 87 THR CA C 13 61.8500 . . 1 . . . . 87 THR CA . 19245 1 410 . 1 1 87 87 THR CB C 13 72.8500 . . 1 . . . . 87 THR CB . 19245 1 411 . 1 1 87 87 THR N N 15 107.8000 . . 1 . . . . 87 THR N . 19245 1 412 . 1 1 88 88 ASP H H 1 8.8020 . . 1 . . . . 88 ASP HN . 19245 1 413 . 1 1 88 88 ASP C C 13 174.0000 . . 1 . . . . 88 ASP C . 19245 1 414 . 1 1 88 88 ASP CA C 13 54.9100 . . 1 . . . . 88 ASP CA . 19245 1 415 . 1 1 88 88 ASP CB C 13 41.0300 . . 1 . . . . 88 ASP CB . 19245 1 416 . 1 1 88 88 ASP N N 15 118.2000 . . 1 . . . . 88 ASP N . 19245 1 417 . 1 1 89 89 LYS H H 1 7.6780 . . 1 . . . . 89 LYS HN . 19245 1 418 . 1 1 89 89 LYS C C 13 176.5000 . . 1 . . . . 89 LYS C . 19245 1 419 . 1 1 89 89 LYS CA C 13 55.7900 . . 1 . . . . 89 LYS CA . 19245 1 420 . 1 1 89 89 LYS CB C 13 31.6000 . . 1 . . . . 89 LYS CB . 19245 1 421 . 1 1 89 89 LYS N N 15 117.9000 . . 1 . . . . 89 LYS N . 19245 1 422 . 1 1 90 90 LEU H H 1 8.9990 . . 1 . . . . 90 LEU HN . 19245 1 423 . 1 1 90 90 LEU C C 13 178.1000 . . 1 . . . . 90 LEU C . 19245 1 424 . 1 1 90 90 LEU CA C 13 54.7000 . . 1 . . . . 90 LEU CA . 19245 1 425 . 1 1 90 90 LEU CB C 13 41.5000 . . 1 . . . . 90 LEU CB . 19245 1 426 . 1 1 90 90 LEU N N 15 124.4000 . . 1 . . . . 90 LEU N . 19245 1 427 . 1 1 91 91 TYR H H 1 6.6060 . . 1 . . . . 91 TYR HN . 19245 1 428 . 1 1 91 91 TYR C C 13 173.4000 . . 1 . . . . 91 TYR C . 19245 1 429 . 1 1 91 91 TYR CA C 13 56.1700 . . 1 . . . . 91 TYR CA . 19245 1 430 . 1 1 91 91 TYR CB C 13 37.8800 . . 1 . . . . 91 TYR CB . 19245 1 431 . 1 1 91 91 TYR N N 15 109.5000 . . 1 . . . . 91 TYR N . 19245 1 432 . 1 1 92 92 ALA H H 1 7.8760 . . 1 . . . . 92 ALA HN . 19245 1 433 . 1 1 92 92 ALA C C 13 176.5000 . . 1 . . . . 92 ALA C . 19245 1 434 . 1 1 92 92 ALA CA C 13 52.2400 . . 1 . . . . 92 ALA CA . 19245 1 435 . 1 1 92 92 ALA CB C 13 19.8000 . . 1 . . . . 92 ALA CB . 19245 1 436 . 1 1 92 92 ALA N N 15 123.7000 . . 1 . . . . 92 ALA N . 19245 1 437 . 1 1 93 93 ALA H H 1 7.4750 . . 1 . . . . 93 ALA HN . 19245 1 438 . 1 1 93 93 ALA C C 13 174.8000 . . 1 . . . . 93 ALA C . 19245 1 439 . 1 1 93 93 ALA CA C 13 52.3400 . . 1 . . . . 93 ALA CA . 19245 1 440 . 1 1 93 93 ALA CB C 13 20.9400 . . 1 . . . . 93 ALA CB . 19245 1 441 . 1 1 93 93 ALA N N 15 121.3000 . . 1 . . . . 93 ALA N . 19245 1 442 . 1 1 94 94 ASP H H 1 8.1030 . . 1 . . . . 94 ASP HN . 19245 1 443 . 1 1 94 94 ASP C C 13 175.1000 . . 1 . . . . 94 ASP C . 19245 1 444 . 1 1 94 94 ASP CA C 13 52.8800 . . 1 . . . . 94 ASP CA . 19245 1 445 . 1 1 94 94 ASP CB C 13 44.5900 . . 1 . . . . 94 ASP CB . 19245 1 446 . 1 1 94 94 ASP N N 15 121.9000 . . 1 . . . . 94 ASP N . 19245 1 447 . 1 1 95 95 SER H H 1 9.6410 . . 1 . . . . 95 SER HN . 19245 1 448 . 1 1 95 95 SER C C 13 172.5000 . . 1 . . . . 95 SER C . 19245 1 449 . 1 1 95 95 SER CA C 13 59.0200 . . 1 . . . . 95 SER CA . 19245 1 450 . 1 1 95 95 SER CB C 13 64.2200 . . 1 . . . . 95 SER CB . 19245 1 451 . 1 1 95 95 SER N N 15 118.9000 . . 1 . . . . 95 SER N . 19245 1 452 . 1 1 96 96 ARG H H 1 8.5500 . . 1 . . . . 96 ARG HN . 19245 1 453 . 1 1 96 96 ARG C C 13 174.7000 . . 1 . . . . 96 ARG C . 19245 1 454 . 1 1 96 96 ARG CA C 13 56.9900 . . 1 . . . . 96 ARG CA . 19245 1 455 . 1 1 96 96 ARG CB C 13 34.7600 . . 1 . . . . 96 ARG CB . 19245 1 456 . 1 1 96 96 ARG N N 15 124.6000 . . 1 . . . . 96 ARG N . 19245 1 457 . 1 1 97 97 LEU H H 1 9.7430 . . 1 . . . . 97 LEU HN . 19245 1 458 . 1 1 97 97 LEU C C 13 177.8000 . . 1 . . . . 97 LEU C . 19245 1 459 . 1 1 97 97 LEU CA C 13 54.7200 . . 1 . . . . 97 LEU CA . 19245 1 460 . 1 1 97 97 LEU CB C 13 43.5500 . . 1 . . . . 97 LEU CB . 19245 1 461 . 1 1 97 97 LEU N N 15 128.2000 . . 1 . . . . 97 LEU N . 19245 1 462 . 1 1 98 98 VAL H H 1 9.2380 . . 1 . . . . 98 VAL HN . 19245 1 463 . 1 1 98 98 VAL C C 13 175.0000 . . 1 . . . . 98 VAL C . 19245 1 464 . 1 1 98 98 VAL CA C 13 61.6500 . . 1 . . . . 98 VAL CA . 19245 1 465 . 1 1 98 98 VAL CB C 13 33.7300 . . 1 . . . . 98 VAL CB . 19245 1 466 . 1 1 98 98 VAL N N 15 122.9000 . . 1 . . . . 98 VAL N . 19245 1 467 . 1 1 99 99 VAL H H 1 9.1930 . . 1 . . . . 99 VAL HN . 19245 1 468 . 1 1 99 99 VAL C C 13 174.5000 . . 1 . . . . 99 VAL C . 19245 1 469 . 1 1 99 99 VAL CA C 13 58.3900 . . 1 . . . . 99 VAL CA . 19245 1 470 . 1 1 99 99 VAL CB C 13 36.6700 . . 1 . . . . 99 VAL CB . 19245 1 471 . 1 1 99 99 VAL N N 15 117.2000 . . 1 . . . . 99 VAL N . 19245 1 472 . 1 1 100 100 ALA H H 1 9.1290 . . 1 . . . . 100 ALA HN . 19245 1 473 . 1 1 100 100 ALA C C 13 179.2000 . . 1 . . . . 100 ALA C . 19245 1 474 . 1 1 100 100 ALA CA C 13 52.7700 . . 1 . . . . 100 ALA CA . 19245 1 475 . 1 1 100 100 ALA CB C 13 18.2200 . . 1 . . . . 100 ALA CB . 19245 1 476 . 1 1 100 100 ALA N N 15 123.3000 . . 1 . . . . 100 ALA N . 19245 1 477 . 1 1 101 101 LYS H H 1 7.9860 . . 1 . . . . 101 LYS HN . 19245 1 478 . 1 1 101 101 LYS C C 13 176.8000 . . 1 . . . . 101 LYS C . 19245 1 479 . 1 1 101 101 LYS CA C 13 59.2700 . . 1 . . . . 101 LYS CA . 19245 1 480 . 1 1 101 101 LYS CB C 13 31.3600 . . 1 . . . . 101 LYS CB . 19245 1 481 . 1 1 101 101 LYS N N 15 119.9000 . . 1 . . . . 101 LYS N . 19245 1 482 . 1 1 102 102 ASN C C 13 175.3000 . . 1 . . . . 102 ASN C . 19245 1 483 . 1 1 102 102 ASN CA C 13 52.3100 . . 1 . . . . 102 ASN CA . 19245 1 484 . 1 1 102 102 ASN CB C 13 36.9700 . . 1 . . . . 102 ASN CB . 19245 1 485 . 1 1 103 103 SER H H 1 7.6800 . . 1 . . . . 103 SER HN . 19245 1 486 . 1 1 103 103 SER C C 13 175.7000 . . 1 . . . . 103 SER C . 19245 1 487 . 1 1 103 103 SER CA C 13 58.0600 . . 1 . . . . 103 SER CA . 19245 1 488 . 1 1 103 103 SER CB C 13 64.4900 . . 1 . . . . 103 SER CB . 19245 1 489 . 1 1 103 103 SER N N 15 114.9000 . . 1 . . . . 103 SER N . 19245 1 490 . 1 1 104 104 ASP H H 1 8.5160 . . 1 . . . . 104 ASP HN . 19245 1 491 . 1 1 104 104 ASP C C 13 176.6000 . . 1 . . . . 104 ASP C . 19245 1 492 . 1 1 104 104 ASP CA C 13 52.9900 . . 1 . . . . 104 ASP CA . 19245 1 493 . 1 1 104 104 ASP CB C 13 40.3000 . . 1 . . . . 104 ASP CB . 19245 1 494 . 1 1 104 104 ASP N N 15 128.0000 . . 1 . . . . 104 ASP N . 19245 1 495 . 1 1 105 105 ILE H H 1 7.8000 . . 1 . . . . 105 ILE HN . 19245 1 496 . 1 1 105 105 ILE C C 13 174.0000 . . 1 . . . . 105 ILE C . 19245 1 497 . 1 1 105 105 ILE CA C 13 63.6700 . . 1 . . . . 105 ILE CA . 19245 1 498 . 1 1 105 105 ILE CB C 13 37.6600 . . 1 . . . . 105 ILE CB . 19245 1 499 . 1 1 105 105 ILE N N 15 122.3000 . . 1 . . . . 105 ILE N . 19245 1 500 . 1 1 106 106 GLN H H 1 8.1920 . . 1 . . . . 106 GLN HN . 19245 1 501 . 1 1 106 106 GLN C C 13 174.7000 . . 1 . . . . 106 GLN C . 19245 1 502 . 1 1 106 106 GLN CA C 13 51.4000 . . 1 . . . . 106 GLN CA . 19245 1 503 . 1 1 106 106 GLN CB C 13 30.9300 . . 1 . . . . 106 GLN CB . 19245 1 504 . 1 1 106 106 GLN N N 15 125.3000 . . 1 . . . . 106 GLN N . 19245 1 505 . 1 1 107 107 PRO C C 13 175.0000 . . 1 . . . . 107 PRO C . 19245 1 506 . 1 1 107 107 PRO CA C 13 61.8200 . . 1 . . . . 107 PRO CA . 19245 1 507 . 1 1 107 107 PRO CB C 13 26.9200 . . 1 . . . . 107 PRO CB . 19245 1 508 . 1 1 108 108 THR H H 1 8.5840 . . 1 . . . . 108 THR HN . 19245 1 509 . 1 1 108 108 THR C C 13 173.9000 . . 1 . . . . 108 THR C . 19245 1 510 . 1 1 108 108 THR CA C 13 57.7500 . . 1 . . . . 108 THR CA . 19245 1 511 . 1 1 108 108 THR CB C 13 71.1100 . . 1 . . . . 108 THR CB . 19245 1 512 . 1 1 108 108 THR N N 15 114.8000 . . 1 . . . . 108 THR N . 19245 1 513 . 1 1 109 109 VAL H H 1 8.7430 . . 1 . . . . 109 VAL HN . 19245 1 514 . 1 1 109 109 VAL C C 13 177.5000 . . 1 . . . . 109 VAL C . 19245 1 515 . 1 1 109 109 VAL CA C 13 65.4200 . . 1 . . . . 109 VAL CA . 19245 1 516 . 1 1 109 109 VAL CB C 13 30.6100 . . 1 . . . . 109 VAL CB . 19245 1 517 . 1 1 109 109 VAL N N 15 121.7000 . . 1 . . . . 109 VAL N . 19245 1 518 . 1 1 110 110 GLU H H 1 8.4510 . . 1 . . . . 110 GLU HN . 19245 1 519 . 1 1 110 110 GLU C C 13 178.5000 . . 1 . . . . 110 GLU C . 19245 1 520 . 1 1 110 110 GLU CA C 13 59.2100 . . 1 . . . . 110 GLU CA . 19245 1 521 . 1 1 110 110 GLU CB C 13 28.1700 . . 1 . . . . 110 GLU CB . 19245 1 522 . 1 1 110 110 GLU N N 15 116.8000 . . 1 . . . . 110 GLU N . 19245 1 523 . 1 1 111 111 SER H H 1 7.3540 . . 1 . . . . 111 SER HN . 19245 1 524 . 1 1 111 111 SER C C 13 176.5000 . . 1 . . . . 111 SER C . 19245 1 525 . 1 1 111 111 SER CA C 13 59.4000 . . 1 . . . . 111 SER CA . 19245 1 526 . 1 1 111 111 SER CB C 13 63.7400 . . 1 . . . . 111 SER CB . 19245 1 527 . 1 1 111 111 SER N N 15 113.0000 . . 1 . . . . 111 SER N . 19245 1 528 . 1 1 112 112 LEU H H 1 7.5470 . . 1 . . . . 112 LEU HN . 19245 1 529 . 1 1 112 112 LEU C C 13 176.5000 . . 1 . . . . 112 LEU C . 19245 1 530 . 1 1 112 112 LEU CA C 13 54.5300 . . 1 . . . . 112 LEU CA . 19245 1 531 . 1 1 112 112 LEU CB C 13 42.7000 . . 1 . . . . 112 LEU CB . 19245 1 532 . 1 1 112 112 LEU N N 15 116.9000 . . 1 . . . . 112 LEU N . 19245 1 533 . 1 1 113 113 LYS H H 1 7.3310 . . 1 . . . . 113 LYS HN . 19245 1 534 . 1 1 113 113 LYS C C 13 178.2000 . . 1 . . . . 113 LYS C . 19245 1 535 . 1 1 113 113 LYS CA C 13 58.8900 . . 1 . . . . 113 LYS CA . 19245 1 536 . 1 1 113 113 LYS CB C 13 30.9600 . . 1 . . . . 113 LYS CB . 19245 1 537 . 1 1 113 113 LYS N N 15 121.2000 . . 1 . . . . 113 LYS N . 19245 1 538 . 1 1 114 114 GLY H H 1 8.4210 . . 1 . . . . 114 GLY HN . 19245 1 539 . 1 1 114 114 GLY C C 13 174.2000 . . 1 . . . . 114 GLY C . 19245 1 540 . 1 1 114 114 GLY CA C 13 45.2600 . . 1 . . . . 114 GLY CA . 19245 1 541 . 1 1 114 114 GLY N N 15 113.8000 . . 1 . . . . 114 GLY N . 19245 1 542 . 1 1 115 115 LYS H H 1 8.5360 . . 1 . . . . 115 LYS HN . 19245 1 543 . 1 1 115 115 LYS C C 13 174.8000 . . 1 . . . . 115 LYS C . 19245 1 544 . 1 1 115 115 LYS CA C 13 53.6300 . . 1 . . . . 115 LYS CA . 19245 1 545 . 1 1 115 115 LYS CB C 13 32.1500 . . 1 . . . . 115 LYS CB . 19245 1 546 . 1 1 115 115 LYS N N 15 120.5000 . . 1 . . . . 115 LYS N . 19245 1 547 . 1 1 116 116 ARG H H 1 9.4970 . . 1 . . . . 116 ARG HN . 19245 1 548 . 1 1 116 116 ARG C C 13 176.2000 . . 1 . . . . 116 ARG C . 19245 1 549 . 1 1 116 116 ARG CA C 13 54.6000 . . 1 . . . . 116 ARG CA . 19245 1 550 . 1 1 116 116 ARG CB C 13 32.4900 . . 1 . . . . 116 ARG CB . 19245 1 551 . 1 1 116 116 ARG N N 15 119.1000 . . 1 . . . . 116 ARG N . 19245 1 552 . 1 1 117 117 VAL H H 1 9.3650 . . 1 . . . . 117 VAL HN . 19245 1 553 . 1 1 117 117 VAL C C 13 175.2000 . . 1 . . . . 117 VAL C . 19245 1 554 . 1 1 117 117 VAL CA C 13 60.2100 . . 1 . . . . 117 VAL CA . 19245 1 555 . 1 1 117 117 VAL CB C 13 33.6200 . . 1 . . . . 117 VAL CB . 19245 1 556 . 1 1 117 117 VAL N N 15 126.2000 . . 1 . . . . 117 VAL N . 19245 1 557 . 1 1 118 118 GLY H H 1 9.4380 . . 1 . . . . 118 GLY HN . 19245 1 558 . 1 1 118 118 GLY C C 13 172.0000 . . 1 . . . . 118 GLY C . 19245 1 559 . 1 1 118 118 GLY CA C 13 45.0600 . . 1 . . . . 118 GLY CA . 19245 1 560 . 1 1 118 118 GLY N N 15 114.5000 . . 1 . . . . 118 GLY N . 19245 1 561 . 1 1 119 119 VAL H H 1 9.2350 . . 1 . . . . 119 VAL HN . 19245 1 562 . 1 1 119 119 VAL C C 13 173.6000 . . 1 . . . . 119 VAL C . 19245 1 563 . 1 1 119 119 VAL CA C 13 58.0100 . . 1 . . . . 119 VAL CA . 19245 1 564 . 1 1 119 119 VAL CB C 13 36.0800 . . 1 . . . . 119 VAL CB . 19245 1 565 . 1 1 119 119 VAL N N 15 116.0000 . . 1 . . . . 119 VAL N . 19245 1 566 . 1 1 120 120 LEU H H 1 8.6580 . . 1 . . . . 120 LEU HN . 19245 1 567 . 1 1 120 120 LEU C C 13 177.4000 . . 1 . . . . 120 LEU C . 19245 1 568 . 1 1 120 120 LEU CA C 13 53.4700 . . 1 . . . . 120 LEU CA . 19245 1 569 . 1 1 120 120 LEU CB C 13 41.3900 . . 1 . . . . 120 LEU CB . 19245 1 570 . 1 1 120 120 LEU N N 15 124.4000 . . 1 . . . . 120 LEU N . 19245 1 571 . 1 1 121 121 GLN H H 1 9.8160 . . 1 . . . . 121 GLN HN . 19245 1 572 . 1 1 121 121 GLN C C 13 176.9000 . . 1 . . . . 121 GLN C . 19245 1 573 . 1 1 121 121 GLN CA C 13 57.7300 . . 1 . . . . 121 GLN CA . 19245 1 574 . 1 1 121 121 GLN CB C 13 28.0400 . . 1 . . . . 121 GLN CB . 19245 1 575 . 1 1 121 121 GLN N N 15 131.7000 . . 1 . . . . 121 GLN N . 19245 1 576 . 1 1 122 122 GLY H H 1 9.5130 . . 1 . . . . 122 GLY HN . 19245 1 577 . 1 1 122 122 GLY C C 13 175.1000 . . 1 . . . . 122 GLY C . 19245 1 578 . 1 1 122 122 GLY CA C 13 44.5800 . . 1 . . . . 122 GLY CA . 19245 1 579 . 1 1 122 122 GLY N N 15 113.3000 . . 1 . . . . 122 GLY N . 19245 1 580 . 1 1 123 123 THR H H 1 7.4360 . . 1 . . . . 123 THR HN . 19245 1 581 . 1 1 123 123 THR C C 13 177.4000 . . 1 . . . . 123 THR C . 19245 1 582 . 1 1 123 123 THR CA C 13 60.2500 . . 1 . . . . 123 THR CA . 19245 1 583 . 1 1 123 123 THR CB C 13 74.0900 . . 1 . . . . 123 THR CB . 19245 1 584 . 1 1 123 123 THR N N 15 106.7000 . . 1 . . . . 123 THR N . 19245 1 585 . 1 1 124 124 THR H H 1 8.5390 . . 1 . . . . 124 THR HN . 19245 1 586 . 1 1 124 124 THR C C 13 178.3000 . . 1 . . . . 124 THR C . 19245 1 587 . 1 1 124 124 THR CA C 13 63.4200 . . 1 . . . . 124 THR CA . 19245 1 588 . 1 1 124 124 THR CB C 13 66.3500 . . 1 . . . . 124 THR CB . 19245 1 589 . 1 1 124 124 THR N N 15 113.9000 . . 1 . . . . 124 THR N . 19245 1 590 . 1 1 125 125 GLN H H 1 7.0710 . . 1 . . . . 125 GLN HN . 19245 1 591 . 1 1 125 125 GLN C C 13 178.0000 . . 1 . . . . 125 GLN C . 19245 1 592 . 1 1 125 125 GLN CA C 13 61.2900 . . 1 . . . . 125 GLN CA . 19245 1 593 . 1 1 125 125 GLN CB C 13 24.5500 . . 1 . . . . 125 GLN CB . 19245 1 594 . 1 1 125 125 GLN N N 15 118.5000 . . 1 . . . . 125 GLN N . 19245 1 595 . 1 1 126 126 GLU H H 1 7.6390 . . 1 . . . . 126 GLU HN . 19245 1 596 . 1 1 126 126 GLU C C 13 177.2000 . . 1 . . . . 126 GLU C . 19245 1 597 . 1 1 126 126 GLU CA C 13 59.7400 . . 1 . . . . 126 GLU CA . 19245 1 598 . 1 1 126 126 GLU CB C 13 29.0900 . . 1 . . . . 126 GLU CB . 19245 1 599 . 1 1 126 126 GLU N N 15 121.9000 . . 1 . . . . 126 GLU N . 19245 1 600 . 1 1 127 127 THR H H 1 7.9790 . . 1 . . . . 127 THR HN . 19245 1 601 . 1 1 127 127 THR C C 13 176.4000 . . 1 . . . . 127 THR C . 19245 1 602 . 1 1 127 127 THR CA C 13 66.4500 . . 1 . . . . 127 THR CA . 19245 1 603 . 1 1 127 127 THR CB C 13 68.2100 . . 1 . . . . 127 THR CB . 19245 1 604 . 1 1 127 127 THR N N 15 117.2000 . . 1 . . . . 127 THR N . 19245 1 605 . 1 1 128 128 PHE H H 1 8.6210 . . 1 . . . . 128 PHE HN . 19245 1 606 . 1 1 128 128 PHE C C 13 177.6000 . . 1 . . . . 128 PHE C . 19245 1 607 . 1 1 128 128 PHE CA C 13 61.2500 . . 1 . . . . 128 PHE CA . 19245 1 608 . 1 1 128 128 PHE CB C 13 39.7100 . . 1 . . . . 128 PHE CB . 19245 1 609 . 1 1 128 128 PHE N N 15 121.3000 . . 1 . . . . 128 PHE N . 19245 1 610 . 1 1 129 129 GLY H H 1 9.0510 . . 1 . . . . 129 GLY HN . 19245 1 611 . 1 1 129 129 GLY C C 13 176.1000 . . 1 . . . . 129 GLY C . 19245 1 612 . 1 1 129 129 GLY CA C 13 46.5000 . . 1 . . . . 129 GLY CA . 19245 1 613 . 1 1 129 129 GLY N N 15 107.4000 . . 1 . . . . 129 GLY N . 19245 1 614 . 1 1 130 130 ASN H H 1 8.8000 . . 1 . . . . 130 ASN HN . 19245 1 615 . 1 1 130 130 ASN C C 13 176.1000 . . 1 . . . . 130 ASN C . 19245 1 616 . 1 1 130 130 ASN CA C 13 55.6300 . . 1 . . . . 130 ASN CA . 19245 1 617 . 1 1 130 130 ASN CB C 13 37.5600 . . 1 . . . . 130 ASN CB . 19245 1 618 . 1 1 130 130 ASN N N 15 122.4000 . . 1 . . . . 130 ASN N . 19245 1 619 . 1 1 131 131 GLU H H 1 7.6210 . . 1 . . . . 131 GLU HN . 19245 1 620 . 1 1 131 131 GLU C C 13 177.6000 . . 1 . . . . 131 GLU C . 19245 1 621 . 1 1 131 131 GLU CA C 13 58.1500 . . 1 . . . . 131 GLU CA . 19245 1 622 . 1 1 131 131 GLU CB C 13 29.4700 . . 1 . . . . 131 GLU CB . 19245 1 623 . 1 1 131 131 GLU N N 15 118.6000 . . 1 . . . . 131 GLU N . 19245 1 624 . 1 1 132 132 HIS H H 1 7.9250 . . 1 . . . . 132 HIS HN . 19245 1 625 . 1 1 132 132 HIS C C 13 176.0000 . . 1 . . . . 132 HIS C . 19245 1 626 . 1 1 132 132 HIS CA C 13 57.0900 . . 1 . . . . 132 HIS CA . 19245 1 627 . 1 1 132 132 HIS CB C 13 31.4200 . . 1 . . . . 132 HIS CB . 19245 1 628 . 1 1 132 132 HIS N N 15 112.7000 . . 1 . . . . 132 HIS N . 19245 1 629 . 1 1 133 133 TRP H H 1 7.6760 . . 1 . . . . 133 TRP HN . 19245 1 630 . 1 1 133 133 TRP C C 13 176.8000 . . 1 . . . . 133 TRP C . 19245 1 631 . 1 1 133 133 TRP CA C 13 55.6500 . . 1 . . . . 133 TRP CA . 19245 1 632 . 1 1 133 133 TRP CB C 13 30.5500 . . 1 . . . . 133 TRP CB . 19245 1 633 . 1 1 133 133 TRP N N 15 119.8000 . . 1 . . . . 133 TRP N . 19245 1 634 . 1 1 134 134 ALA H H 1 8.8940 . . 1 . . . . 134 ALA HN . 19245 1 635 . 1 1 134 134 ALA C C 13 177.9000 . . 1 . . . . 134 ALA C . 19245 1 636 . 1 1 134 134 ALA CA C 13 55.3300 . . 1 . . . . 134 ALA CA . 19245 1 637 . 1 1 134 134 ALA CB C 13 15.8900 . . 1 . . . . 134 ALA CB . 19245 1 638 . 1 1 134 134 ALA N N 15 125.6000 . . 1 . . . . 134 ALA N . 19245 1 639 . 1 1 135 135 PRO C C 13 177.1000 . . 1 . . . . 135 PRO C . 19245 1 640 . 1 1 135 135 PRO CA C 13 64.4700 . . 1 . . . . 135 PRO CA . 19245 1 641 . 1 1 135 135 PRO CB C 13 30.8000 . . 1 . . . . 135 PRO CB . 19245 1 642 . 1 1 136 136 LYS H H 1 7.6670 . . 1 . . . . 136 LYS HN . 19245 1 643 . 1 1 136 136 LYS C C 13 176.5000 . . 1 . . . . 136 LYS C . 19245 1 644 . 1 1 136 136 LYS CA C 13 53.4700 . . 1 . . . . 136 LYS CA . 19245 1 645 . 1 1 136 136 LYS CB C 13 31.5400 . . 1 . . . . 136 LYS CB . 19245 1 646 . 1 1 136 136 LYS N N 15 115.9000 . . 1 . . . . 136 LYS N . 19245 1 647 . 1 1 137 137 GLY H H 1 7.8450 . . 1 . . . . 137 GLY HN . 19245 1 648 . 1 1 137 137 GLY C C 13 174.3000 . . 1 . . . . 137 GLY C . 19245 1 649 . 1 1 137 137 GLY CA C 13 45.8000 . . 1 . . . . 137 GLY CA . 19245 1 650 . 1 1 137 137 GLY N N 15 106.0000 . . 1 . . . . 137 GLY N . 19245 1 651 . 1 1 138 138 ILE H H 1 6.9370 . . 1 . . . . 138 ILE HN . 19245 1 652 . 1 1 138 138 ILE C C 13 174.4000 . . 1 . . . . 138 ILE C . 19245 1 653 . 1 1 138 138 ILE CA C 13 60.5300 . . 1 . . . . 138 ILE CA . 19245 1 654 . 1 1 138 138 ILE CB C 13 38.2300 . . 1 . . . . 138 ILE CB . 19245 1 655 . 1 1 138 138 ILE N N 15 124.6000 . . 1 . . . . 138 ILE N . 19245 1 656 . 1 1 139 139 GLU H H 1 8.2870 . . 1 . . . . 139 GLU HN . 19245 1 657 . 1 1 139 139 GLU C C 13 174.1000 . . 1 . . . . 139 GLU C . 19245 1 658 . 1 1 139 139 GLU CA C 13 56.0500 . . 1 . . . . 139 GLU CA . 19245 1 659 . 1 1 139 139 GLU CB C 13 29.6500 . . 1 . . . . 139 GLU CB . 19245 1 660 . 1 1 139 139 GLU N N 15 128.1000 . . 1 . . . . 139 GLU N . 19245 1 661 . 1 1 140 140 ILE H H 1 8.7620 . . 1 . . . . 140 ILE HN . 19245 1 662 . 1 1 140 140 ILE C C 13 175.9000 . . 1 . . . . 140 ILE C . 19245 1 663 . 1 1 140 140 ILE CA C 13 57.2000 . . 1 . . . . 140 ILE CA . 19245 1 664 . 1 1 140 140 ILE CB C 13 34.3900 . . 1 . . . . 140 ILE CB . 19245 1 665 . 1 1 140 140 ILE N N 15 129.4000 . . 1 . . . . 140 ILE N . 19245 1 666 . 1 1 141 141 VAL H H 1 9.4240 . . 1 . . . . 141 VAL HN . 19245 1 667 . 1 1 141 141 VAL C C 13 174.6000 . . 1 . . . . 141 VAL C . 19245 1 668 . 1 1 141 141 VAL CA C 13 61.1800 . . 1 . . . . 141 VAL CA . 19245 1 669 . 1 1 141 141 VAL CB C 13 32.4100 . . 1 . . . . 141 VAL CB . 19245 1 670 . 1 1 141 141 VAL N N 15 133.0000 . . 1 . . . . 141 VAL N . 19245 1 671 . 1 1 142 142 SER H H 1 8.5600 . . 1 . . . . 142 SER HN . 19245 1 672 . 1 1 142 142 SER C C 13 175.0000 . . 1 . . . . 142 SER C . 19245 1 673 . 1 1 142 142 SER CA C 13 57.9300 . . 1 . . . . 142 SER CA . 19245 1 674 . 1 1 142 142 SER CB C 13 63.9600 . . 1 . . . . 142 SER CB . 19245 1 675 . 1 1 142 142 SER N N 15 123.4000 . . 1 . . . . 142 SER N . 19245 1 676 . 1 1 143 143 TYR H H 1 8.8180 . . 1 . . . . 143 TYR HN . 19245 1 677 . 1 1 143 143 TYR C C 13 175.9000 . . 1 . . . . 143 TYR C . 19245 1 678 . 1 1 143 143 TYR CA C 13 57.4400 . . 1 . . . . 143 TYR CA . 19245 1 679 . 1 1 143 143 TYR CB C 13 42.8300 . . 1 . . . . 143 TYR CB . 19245 1 680 . 1 1 143 143 TYR N N 15 122.8000 . . 1 . . . . 143 TYR N . 19245 1 681 . 1 1 144 144 GLN H H 1 8.5600 . . 1 . . . . 144 GLN HN . 19245 1 682 . 1 1 144 144 GLN C C 13 175.8000 . . 1 . . . . 144 GLN C . 19245 1 683 . 1 1 144 144 GLN CA C 13 55.6900 . . 1 . . . . 144 GLN CA . 19245 1 684 . 1 1 144 144 GLN CB C 13 29.5600 . . 1 . . . . 144 GLN CB . 19245 1 685 . 1 1 144 144 GLN N N 15 118.9000 . . 1 . . . . 144 GLN N . 19245 1 686 . 1 1 145 145 GLY H H 1 8.9330 . . 1 . . . . 145 GLY HN . 19245 1 687 . 1 1 145 145 GLY C C 13 174.6000 . . 1 . . . . 145 GLY C . 19245 1 688 . 1 1 145 145 GLY CA C 13 44.5600 . . 1 . . . . 145 GLY CA . 19245 1 689 . 1 1 145 145 GLY N N 15 114.0000 . . 1 . . . . 145 GLY N . 19245 1 690 . 1 1 146 146 GLN H H 1 7.6010 . . 1 . . . . 146 GLN HN . 19245 1 691 . 1 1 146 146 GLN C C 13 177.5000 . . 1 . . . . 146 GLN C . 19245 1 692 . 1 1 146 146 GLN CA C 13 58.4700 . . 1 . . . . 146 GLN CA . 19245 1 693 . 1 1 146 146 GLN CB C 13 26.0100 . . 1 . . . . 146 GLN CB . 19245 1 694 . 1 1 146 146 GLN N N 15 126.8000 . . 1 . . . . 146 GLN N . 19245 1 695 . 1 1 147 147 ASP H H 1 8.6560 . . 1 . . . . 147 ASP HN . 19245 1 696 . 1 1 147 147 ASP C C 13 178.7000 . . 1 . . . . 147 ASP C . 19245 1 697 . 1 1 147 147 ASP CA C 13 56.5900 . . 1 . . . . 147 ASP CA . 19245 1 698 . 1 1 147 147 ASP CB C 13 38.4300 . . 1 . . . . 147 ASP CB . 19245 1 699 . 1 1 147 147 ASP N N 15 116.1000 . . 1 . . . . 147 ASP N . 19245 1 700 . 1 1 148 148 ASN H H 1 7.3780 . . 1 . . . . 148 ASN HN . 19245 1 701 . 1 1 148 148 ASN C C 13 176.8000 . . 1 . . . . 148 ASN C . 19245 1 702 . 1 1 148 148 ASN CA C 13 55.5400 . . 1 . . . . 148 ASN CA . 19245 1 703 . 1 1 148 148 ASN CB C 13 37.7600 . . 1 . . . . 148 ASN CB . 19245 1 704 . 1 1 148 148 ASN N N 15 118.2000 . . 1 . . . . 148 ASN N . 19245 1 705 . 1 1 149 149 ILE H H 1 6.8640 . . 1 . . . . 149 ILE HN . 19245 1 706 . 1 1 149 149 ILE C C 13 177.9000 . . 1 . . . . 149 ILE C . 19245 1 707 . 1 1 149 149 ILE CA C 13 64.7500 . . 1 . . . . 149 ILE CA . 19245 1 708 . 1 1 149 149 ILE CB C 13 35.1500 . . 1 . . . . 149 ILE CB . 19245 1 709 . 1 1 149 149 ILE N N 15 121.3000 . . 1 . . . . 149 ILE N . 19245 1 710 . 1 1 150 150 TYR H H 1 6.5750 . . 1 . . . . 150 TYR HN . 19245 1 711 . 1 1 150 150 TYR C C 13 178.5000 . . 1 . . . . 150 TYR C . 19245 1 712 . 1 1 150 150 TYR CA C 13 57.8900 . . 1 . . . . 150 TYR CA . 19245 1 713 . 1 1 150 150 TYR CB C 13 35.9200 . . 1 . . . . 150 TYR CB . 19245 1 714 . 1 1 150 150 TYR N N 15 116.5000 . . 1 . . . . 150 TYR N . 19245 1 715 . 1 1 151 151 SER H H 1 8.0870 . . 1 . . . . 151 SER HN . 19245 1 716 . 1 1 151 151 SER C C 13 177.4000 . . 1 . . . . 151 SER C . 19245 1 717 . 1 1 151 151 SER CA C 13 61.1100 . . 1 . . . . 151 SER CA . 19245 1 718 . 1 1 151 151 SER CB C 13 62.3500 . . 1 . . . . 151 SER CB . 19245 1 719 . 1 1 151 151 SER N N 15 113.2000 . . 1 . . . . 151 SER N . 19245 1 720 . 1 1 152 152 ASP H H 1 7.6730 . . 1 . . . . 152 ASP HN . 19245 1 721 . 1 1 152 152 ASP C C 13 179.0000 . . 1 . . . . 152 ASP C . 19245 1 722 . 1 1 152 152 ASP CA C 13 56.3800 . . 1 . . . . 152 ASP CA . 19245 1 723 . 1 1 152 152 ASP CB C 13 38.2500 . . 1 . . . . 152 ASP CB . 19245 1 724 . 1 1 152 152 ASP N N 15 123.6000 . . 1 . . . . 152 ASP N . 19245 1 725 . 1 1 153 153 LEU H H 1 8.1700 . . 1 . . . . 153 LEU HN . 19245 1 726 . 1 1 153 153 LEU C C 13 180.4000 . . 1 . . . . 153 LEU C . 19245 1 727 . 1 1 153 153 LEU CA C 13 58.1100 . . 1 . . . . 153 LEU CA . 19245 1 728 . 1 1 153 153 LEU CB C 13 40.8200 . . 1 . . . . 153 LEU CB . 19245 1 729 . 1 1 153 153 LEU N N 15 124.2000 . . 1 . . . . 153 LEU N . 19245 1 730 . 1 1 154 154 THR H H 1 8.2680 . . 1 . . . . 154 THR HN . 19245 1 731 . 1 1 154 154 THR C C 13 176.7000 . . 1 . . . . 154 THR C . 19245 1 732 . 1 1 154 154 THR CA C 13 63.9000 . . 1 . . . . 154 THR CA . 19245 1 733 . 1 1 154 154 THR CB C 13 68.4900 . . 1 . . . . 154 THR CB . 19245 1 734 . 1 1 154 154 THR N N 15 112.5000 . . 1 . . . . 154 THR N . 19245 1 735 . 1 1 155 155 ALA H H 1 7.5510 . . 1 . . . . 155 ALA HN . 19245 1 736 . 1 1 155 155 ALA C C 13 178.2000 . . 1 . . . . 155 ALA C . 19245 1 737 . 1 1 155 155 ALA CA C 13 51.6100 . . 1 . . . . 155 ALA CA . 19245 1 738 . 1 1 155 155 ALA CB C 13 18.9100 . . 1 . . . . 155 ALA CB . 19245 1 739 . 1 1 155 155 ALA N N 15 122.0000 . . 1 . . . . 155 ALA N . 19245 1 740 . 1 1 156 156 GLY H H 1 7.9810 . . 1 . . . . 156 GLY HN . 19245 1 741 . 1 1 156 156 GLY C C 13 175.1000 . . 1 . . . . 156 GLY C . 19245 1 742 . 1 1 156 156 GLY CA C 13 45.4200 . . 1 . . . . 156 GLY CA . 19245 1 743 . 1 1 156 156 GLY N N 15 107.9000 . . 1 . . . . 156 GLY N . 19245 1 744 . 1 1 157 157 ARG H H 1 8.3310 . . 1 . . . . 157 ARG HN . 19245 1 745 . 1 1 157 157 ARG C C 13 176.2000 . . 1 . . . . 157 ARG C . 19245 1 746 . 1 1 157 157 ARG CA C 13 57.2400 . . 1 . . . . 157 ARG CA . 19245 1 747 . 1 1 157 157 ARG CB C 13 30.4500 . . 1 . . . . 157 ARG CB . 19245 1 748 . 1 1 157 157 ARG N N 15 118.9000 . . 1 . . . . 157 ARG N . 19245 1 749 . 1 1 158 158 ILE H H 1 7.1470 . . 1 . . . . 158 ILE HN . 19245 1 750 . 1 1 158 158 ILE C C 13 173.6000 . . 1 . . . . 158 ILE C . 19245 1 751 . 1 1 158 158 ILE CA C 13 59.7200 . . 1 . . . . 158 ILE CA . 19245 1 752 . 1 1 158 158 ILE CB C 13 40.3200 . . 1 . . . . 158 ILE CB . 19245 1 753 . 1 1 158 158 ILE N N 15 109.0000 . . 1 . . . . 158 ILE N . 19245 1 754 . 1 1 159 159 ASP H H 1 8.8160 . . 1 . . . . 159 ASP HN . 19245 1 755 . 1 1 159 159 ASP C C 13 174.7000 . . 1 . . . . 159 ASP C . 19245 1 756 . 1 1 159 159 ASP CA C 13 55.6200 . . 1 . . . . 159 ASP CA . 19245 1 757 . 1 1 159 159 ASP CB C 13 43.6700 . . 1 . . . . 159 ASP CB . 19245 1 758 . 1 1 159 159 ASP N N 15 118.8000 . . 1 . . . . 159 ASP N . 19245 1 759 . 1 1 160 160 ALA H H 1 7.7490 . . 1 . . . . 160 ALA HN . 19245 1 760 . 1 1 160 160 ALA C C 13 174.1000 . . 1 . . . . 160 ALA C . 19245 1 761 . 1 1 160 160 ALA CA C 13 50.0000 . . 1 . . . . 160 ALA CA . 19245 1 762 . 1 1 160 160 ALA CB C 13 22.7500 . . 1 . . . . 160 ALA CB . 19245 1 763 . 1 1 160 160 ALA N N 15 117.0000 . . 1 . . . . 160 ALA N . 19245 1 764 . 1 1 161 161 ALA H H 1 9.1050 . . 1 . . . . 161 ALA HN . 19245 1 765 . 1 1 161 161 ALA C C 13 175.8000 . . 1 . . . . 161 ALA C . 19245 1 766 . 1 1 161 161 ALA CA C 13 50.1100 . . 1 . . . . 161 ALA CA . 19245 1 767 . 1 1 161 161 ALA CB C 13 21.8700 . . 1 . . . . 161 ALA CB . 19245 1 768 . 1 1 161 161 ALA N N 15 125.7000 . . 1 . . . . 161 ALA N . 19245 1 769 . 1 1 162 162 PHE H H 1 9.2290 . . 1 . . . . 162 PHE HN . 19245 1 770 . 1 1 162 162 PHE C C 13 172.2000 . . 1 . . . . 162 PHE C . 19245 1 771 . 1 1 162 162 PHE CA C 13 52.7400 . . 1 . . . . 162 PHE CA . 19245 1 772 . 1 1 162 162 PHE CB C 13 40.9700 . . 1 . . . . 162 PHE CB . 19245 1 773 . 1 1 162 162 PHE N N 15 128.5000 . . 1 . . . . 162 PHE N . 19245 1 774 . 1 1 163 163 GLN H H 1 7.4960 . . 1 . . . . 163 GLN HN . 19245 1 775 . 1 1 163 163 GLN C C 13 174.5000 . . 1 . . . . 163 GLN C . 19245 1 776 . 1 1 163 163 GLN CA C 13 55.9200 . . 1 . . . . 163 GLN CA . 19245 1 777 . 1 1 163 163 GLN CB C 13 29.1500 . . 1 . . . . 163 GLN CB . 19245 1 778 . 1 1 163 163 GLN N N 15 122.6000 . . 1 . . . . 163 GLN N . 19245 1 779 . 1 1 164 164 ASP H H 1 7.2860 . . 1 . . . . 164 ASP HN . 19245 1 780 . 1 1 164 164 ASP C C 13 177.5000 . . 1 . . . . 164 ASP C . 19245 1 781 . 1 1 164 164 ASP CA C 13 54.8900 . . 1 . . . . 164 ASP CA . 19245 1 782 . 1 1 164 164 ASP CB C 13 40.0500 . . 1 . . . . 164 ASP CB . 19245 1 783 . 1 1 164 164 ASP N N 15 116.3000 . . 1 . . . . 164 ASP N . 19245 1 784 . 1 1 165 165 GLU H H 1 9.6800 . . 1 . . . . 165 GLU HN . 19245 1 785 . 1 1 165 165 GLU C C 13 177.8000 . . 1 . . . . 165 GLU C . 19245 1 786 . 1 1 165 165 GLU CA C 13 59.4900 . . 1 . . . . 165 GLU CA . 19245 1 787 . 1 1 165 165 GLU CB C 13 30.3300 . . 1 . . . . 165 GLU CB . 19245 1 788 . 1 1 165 165 GLU N N 15 128.6000 . . 1 . . . . 165 GLU N . 19245 1 789 . 1 1 166 166 VAL H H 1 9.5910 . . 1 . . . . 166 VAL HN . 19245 1 790 . 1 1 166 166 VAL C C 13 178.2000 . . 1 . . . . 166 VAL C . 19245 1 791 . 1 1 166 166 VAL CA C 13 66.1500 . . 1 . . . . 166 VAL CA . 19245 1 792 . 1 1 166 166 VAL CB C 13 30.5500 . . 1 . . . . 166 VAL CB . 19245 1 793 . 1 1 166 166 VAL N N 15 119.8000 . . 1 . . . . 166 VAL N . 19245 1 794 . 1 1 167 167 ALA H H 1 6.1740 . . 1 . . . . 167 ALA HN . 19245 1 795 . 1 1 167 167 ALA C C 13 178.6000 . . 1 . . . . 167 ALA C . 19245 1 796 . 1 1 167 167 ALA CA C 13 54.1100 . . 1 . . . . 167 ALA CA . 19245 1 797 . 1 1 167 167 ALA CB C 13 17.1300 . . 1 . . . . 167 ALA CB . 19245 1 798 . 1 1 167 167 ALA N N 15 118.1000 . . 1 . . . . 167 ALA N . 19245 1 799 . 1 1 168 168 ALA H H 1 7.4130 . . 1 . . . . 168 ALA HN . 19245 1 800 . 1 1 168 168 ALA C C 13 180.8000 . . 1 . . . . 168 ALA C . 19245 1 801 . 1 1 168 168 ALA CA C 13 53.7300 . . 1 . . . . 168 ALA CA . 19245 1 802 . 1 1 168 168 ALA CB C 13 19.9400 . . 1 . . . . 168 ALA CB . 19245 1 803 . 1 1 168 168 ALA N N 15 117.3000 . . 1 . . . . 168 ALA N . 19245 1 804 . 1 1 169 169 SER H H 1 8.9420 . . 1 . . . . 169 SER HN . 19245 1 805 . 1 1 169 169 SER C C 13 175.6000 . . 1 . . . . 169 SER C . 19245 1 806 . 1 1 169 169 SER CA C 13 60.8700 . . 1 . . . . 169 SER CA . 19245 1 807 . 1 1 169 169 SER CB C 13 62.9700 . . 1 . . . . 169 SER CB . 19245 1 808 . 1 1 169 169 SER N N 15 113.6000 . . 1 . . . . 169 SER N . 19245 1 809 . 1 1 170 170 GLU H H 1 8.2490 . . 1 . . . . 170 GLU HN . 19245 1 810 . 1 1 170 170 GLU C C 13 179.0000 . . 1 . . . . 170 GLU C . 19245 1 811 . 1 1 170 170 GLU CA C 13 56.6700 . . 1 . . . . 170 GLU CA . 19245 1 812 . 1 1 170 170 GLU CB C 13 28.8300 . . 1 . . . . 170 GLU CB . 19245 1 813 . 1 1 170 170 GLU N N 15 112.7000 . . 1 . . . . 170 GLU N . 19245 1 814 . 1 1 171 171 GLY H H 1 8.4020 . . 1 . . . . 171 GLY HN . 19245 1 815 . 1 1 171 171 GLY C C 13 173.5000 . . 1 . . . . 171 GLY C . 19245 1 816 . 1 1 171 171 GLY CA C 13 44.7000 . . 1 . . . . 171 GLY CA . 19245 1 817 . 1 1 171 171 GLY N N 15 106.4000 . . 1 . . . . 171 GLY N . 19245 1 818 . 1 1 172 172 PHE H H 1 7.0360 . . 1 . . . . 172 PHE HN . 19245 1 819 . 1 1 172 172 PHE C C 13 174.8000 . . 1 . . . . 172 PHE C . 19245 1 820 . 1 1 172 172 PHE CA C 13 60.3100 . . 1 . . . . 172 PHE CA . 19245 1 821 . 1 1 172 172 PHE CB C 13 40.1400 . . 1 . . . . 172 PHE CB . 19245 1 822 . 1 1 172 172 PHE N N 15 118.7000 . . 1 . . . . 172 PHE N . 19245 1 823 . 1 1 173 173 LEU H H 1 9.0310 . . 1 . . . . 173 LEU HN . 19245 1 824 . 1 1 173 173 LEU C C 13 178.9000 . . 1 . . . . 173 LEU C . 19245 1 825 . 1 1 173 173 LEU CA C 13 57.5000 . . 1 . . . . 173 LEU CA . 19245 1 826 . 1 1 173 173 LEU CB C 13 39.9400 . . 1 . . . . 173 LEU CB . 19245 1 827 . 1 1 173 173 LEU N N 15 119.2000 . . 1 . . . . 173 LEU N . 19245 1 828 . 1 1 174 174 LYS H H 1 7.6310 . . 1 . . . . 174 LYS HN . 19245 1 829 . 1 1 174 174 LYS C C 13 176.9000 . . 1 . . . . 174 LYS C . 19245 1 830 . 1 1 174 174 LYS CA C 13 56.4300 . . 1 . . . . 174 LYS CA . 19245 1 831 . 1 1 174 174 LYS CB C 13 31.8100 . . 1 . . . . 174 LYS CB . 19245 1 832 . 1 1 174 174 LYS N N 15 113.4000 . . 1 . . . . 174 LYS N . 19245 1 833 . 1 1 175 175 GLN H H 1 7.1720 . . 1 . . . . 175 GLN HN . 19245 1 834 . 1 1 175 175 GLN C C 13 175.9000 . . 1 . . . . 175 GLN C . 19245 1 835 . 1 1 175 175 GLN CA C 13 52.3200 . . 1 . . . . 175 GLN CA . 19245 1 836 . 1 1 175 175 GLN CB C 13 26.4300 . . 1 . . . . 175 GLN CB . 19245 1 837 . 1 1 175 175 GLN N N 15 118.7000 . . 1 . . . . 175 GLN N . 19245 1 838 . 1 1 176 176 PRO C C 13 179.3000 . . 1 . . . . 176 PRO C . 19245 1 839 . 1 1 176 176 PRO CA C 13 66.1900 . . 1 . . . . 176 PRO CA . 19245 1 840 . 1 1 176 176 PRO CB C 13 30.7400 . . 1 . . . . 176 PRO CB . 19245 1 841 . 1 1 177 177 VAL H H 1 7.4750 . . 1 . . . . 177 VAL HN . 19245 1 842 . 1 1 177 177 VAL C C 13 176.2000 . . 1 . . . . 177 VAL C . 19245 1 843 . 1 1 177 177 VAL CA C 13 62.8500 . . 1 . . . . 177 VAL CA . 19245 1 844 . 1 1 177 177 VAL CB C 13 30.7900 . . 1 . . . . 177 VAL CB . 19245 1 845 . 1 1 177 177 VAL N N 15 111.6000 . . 1 . . . . 177 VAL N . 19245 1 846 . 1 1 178 178 GLY H H 1 7.2290 . . 1 . . . . 178 GLY HN . 19245 1 847 . 1 1 178 178 GLY C C 13 174.8000 . . 1 . . . . 178 GLY C . 19245 1 848 . 1 1 178 178 GLY CA C 13 44.0500 . . 1 . . . . 178 GLY CA . 19245 1 849 . 1 1 178 178 GLY N N 15 109.7000 . . 1 . . . . 178 GLY N . 19245 1 850 . 1 1 179 179 LYS H H 1 6.8770 . . 1 . . . . 179 LYS HN . 19245 1 851 . 1 1 179 179 LYS C C 13 177.0000 . . 1 . . . . 179 LYS C . 19245 1 852 . 1 1 179 179 LYS CA C 13 58.3400 . . 1 . . . . 179 LYS CA . 19245 1 853 . 1 1 179 179 LYS CB C 13 31.3600 . . 1 . . . . 179 LYS CB . 19245 1 854 . 1 1 179 179 LYS N N 15 120.3000 . . 1 . . . . 179 LYS N . 19245 1 855 . 1 1 180 180 ASP H H 1 7.9920 . . 1 . . . . 180 ASP HN . 19245 1 856 . 1 1 180 180 ASP C C 13 173.9000 . . 1 . . . . 180 ASP C . 19245 1 857 . 1 1 180 180 ASP CA C 13 53.9100 . . 1 . . . . 180 ASP CA . 19245 1 858 . 1 1 180 180 ASP CB C 13 39.6100 . . 1 . . . . 180 ASP CB . 19245 1 859 . 1 1 180 180 ASP N N 15 117.2000 . . 1 . . . . 180 ASP N . 19245 1 860 . 1 1 181 181 TYR H H 1 7.7160 . . 1 . . . . 181 TYR HN . 19245 1 861 . 1 1 181 181 TYR C C 13 172.4000 . . 1 . . . . 181 TYR C . 19245 1 862 . 1 1 181 181 TYR CA C 13 58.1000 . . 1 . . . . 181 TYR CA . 19245 1 863 . 1 1 181 181 TYR CB C 13 41.5200 . . 1 . . . . 181 TYR CB . 19245 1 864 . 1 1 181 181 TYR N N 15 120.2000 . . 1 . . . . 181 TYR N . 19245 1 865 . 1 1 182 182 LYS H H 1 9.4370 . . 1 . . . . 182 LYS HN . 19245 1 866 . 1 1 182 182 LYS C C 13 175.0000 . . 1 . . . . 182 LYS C . 19245 1 867 . 1 1 182 182 LYS CA C 13 54.3400 . . 1 . . . . 182 LYS CA . 19245 1 868 . 1 1 182 182 LYS CB C 13 35.5800 . . 1 . . . . 182 LYS CB . 19245 1 869 . 1 1 182 182 LYS N N 15 117.0000 . . 1 . . . . 182 LYS N . 19245 1 870 . 1 1 183 183 PHE H H 1 8.5400 . . 1 . . . . 183 PHE HN . 19245 1 871 . 1 1 183 183 PHE C C 13 177.6000 . . 1 . . . . 183 PHE C . 19245 1 872 . 1 1 183 183 PHE CA C 13 58.1900 . . 1 . . . . 183 PHE CA . 19245 1 873 . 1 1 183 183 PHE CB C 13 38.2100 . . 1 . . . . 183 PHE CB . 19245 1 874 . 1 1 183 183 PHE N N 15 117.9000 . . 1 . . . . 183 PHE N . 19245 1 875 . 1 1 184 184 GLY H H 1 8.9190 . . 1 . . . . 184 GLY HN . 19245 1 876 . 1 1 184 184 GLY C C 13 173.4000 . . 1 . . . . 184 GLY C . 19245 1 877 . 1 1 184 184 GLY CA C 13 46.9600 . . 1 . . . . 184 GLY CA . 19245 1 878 . 1 1 184 184 GLY N N 15 113.5000 . . 1 . . . . 184 GLY N . 19245 1 879 . 1 1 185 185 GLY H H 1 7.6490 . . 1 . . . . 185 GLY HN . 19245 1 880 . 1 1 185 185 GLY C C 13 171.1000 . . 1 . . . . 185 GLY C . 19245 1 881 . 1 1 185 185 GLY CA C 13 44.5200 . . 1 . . . . 185 GLY CA . 19245 1 882 . 1 1 185 185 GLY N N 15 110.3000 . . 1 . . . . 185 GLY N . 19245 1 883 . 1 1 186 186 PRO C C 13 176.2000 . . 1 . . . . 186 PRO C . 19245 1 884 . 1 1 186 186 PRO CA C 13 61.8500 . . 1 . . . . 186 PRO CA . 19245 1 885 . 1 1 186 186 PRO CB C 13 32.5900 . . 1 . . . . 186 PRO CB . 19245 1 886 . 1 1 187 187 SER H H 1 8.3680 . . 1 . . . . 187 SER HN . 19245 1 887 . 1 1 187 187 SER C C 13 173.9000 . . 1 . . . . 187 SER C . 19245 1 888 . 1 1 187 187 SER CA C 13 58.6300 . . 1 . . . . 187 SER CA . 19245 1 889 . 1 1 187 187 SER CB C 13 63.0300 . . 1 . . . . 187 SER CB . 19245 1 890 . 1 1 187 187 SER N N 15 113.8000 . . 1 . . . . 187 SER N . 19245 1 891 . 1 1 188 188 VAL H H 1 8.1240 . . 1 . . . . 188 VAL HN . 19245 1 892 . 1 1 188 188 VAL C C 13 174.4000 . . 1 . . . . 188 VAL C . 19245 1 893 . 1 1 188 188 VAL CA C 13 61.3300 . . 1 . . . . 188 VAL CA . 19245 1 894 . 1 1 188 188 VAL CB C 13 31.6300 . . 1 . . . . 188 VAL CB . 19245 1 895 . 1 1 188 188 VAL N N 15 123.9000 . . 1 . . . . 188 VAL N . 19245 1 896 . 1 1 189 189 LYS H H 1 8.4920 . . 1 . . . . 189 LYS HN . 19245 1 897 . 1 1 189 189 LYS C C 13 177.0000 . . 1 . . . . 189 LYS C . 19245 1 898 . 1 1 189 189 LYS CA C 13 54.9500 . . 1 . . . . 189 LYS CA . 19245 1 899 . 1 1 189 189 LYS CB C 13 32.0900 . . 1 . . . . 189 LYS CB . 19245 1 900 . 1 1 189 189 LYS N N 15 126.9000 . . 1 . . . . 189 LYS N . 19245 1 901 . 1 1 190 190 ASP H H 1 8.8510 . . 1 . . . . 190 ASP HN . 19245 1 902 . 1 1 190 190 ASP C C 13 174.9000 . . 1 . . . . 190 ASP C . 19245 1 903 . 1 1 190 190 ASP CA C 13 55.5400 . . 1 . . . . 190 ASP CA . 19245 1 904 . 1 1 190 190 ASP CB C 13 40.5600 . . 1 . . . . 190 ASP CB . 19245 1 905 . 1 1 190 190 ASP N N 15 123.7000 . . 1 . . . . 190 ASP N . 19245 1 906 . 1 1 191 191 GLU H H 1 9.2080 . . 1 . . . . 191 GLU HN . 19245 1 907 . 1 1 191 191 GLU C C 13 178.5000 . . 1 . . . . 191 GLU C . 19245 1 908 . 1 1 191 191 GLU CA C 13 59.8400 . . 1 . . . . 191 GLU CA . 19245 1 909 . 1 1 191 191 GLU CB C 13 28.4900 . . 1 . . . . 191 GLU CB . 19245 1 910 . 1 1 191 191 GLU N N 15 128.4000 . . 1 . . . . 191 GLU N . 19245 1 911 . 1 1 192 192 LYS H H 1 7.9410 . . 1 . . . . 192 LYS HN . 19245 1 912 . 1 1 192 192 LYS C C 13 178.6000 . . 1 . . . . 192 LYS C . 19245 1 913 . 1 1 192 192 LYS CA C 13 58.6500 . . 1 . . . . 192 LYS CA . 19245 1 914 . 1 1 192 192 LYS CB C 13 31.6600 . . 1 . . . . 192 LYS CB . 19245 1 915 . 1 1 192 192 LYS N N 15 118.3000 . . 1 . . . . 192 LYS N . 19245 1 916 . 1 1 193 193 LEU H H 1 7.9950 . . 1 . . . . 193 LEU HN . 19245 1 917 . 1 1 193 193 LEU C C 13 178.1000 . . 1 . . . . 193 LEU C . 19245 1 918 . 1 1 193 193 LEU CA C 13 55.9700 . . 1 . . . . 193 LEU CA . 19245 1 919 . 1 1 193 193 LEU CB C 13 41.5500 . . 1 . . . . 193 LEU CB . 19245 1 920 . 1 1 193 193 LEU N N 15 118.0000 . . 1 . . . . 193 LEU N . 19245 1 921 . 1 1 194 194 PHE H H 1 8.3670 . . 1 . . . . 194 PHE HN . 19245 1 922 . 1 1 194 194 PHE C C 13 179.5000 . . 1 . . . . 194 PHE C . 19245 1 923 . 1 1 194 194 PHE CA C 13 57.3100 . . 1 . . . . 194 PHE CA . 19245 1 924 . 1 1 194 194 PHE CB C 13 39.7800 . . 1 . . . . 194 PHE CB . 19245 1 925 . 1 1 194 194 PHE N N 15 112.5000 . . 1 . . . . 194 PHE N . 19245 1 926 . 1 1 195 195 GLY H H 1 7.5570 . . 1 . . . . 195 GLY HN . 19245 1 927 . 1 1 195 195 GLY C C 13 173.1000 . . 1 . . . . 195 GLY C . 19245 1 928 . 1 1 195 195 GLY CA C 13 44.4200 . . 1 . . . . 195 GLY CA . 19245 1 929 . 1 1 195 195 GLY N N 15 107.6000 . . 1 . . . . 195 GLY N . 19245 1 930 . 1 1 196 196 VAL H H 1 9.1050 . . 1 . . . . 196 VAL HN . 19245 1 931 . 1 1 196 196 VAL C C 13 177.4000 . . 1 . . . . 196 VAL C . 19245 1 932 . 1 1 196 196 VAL CA C 13 60.3300 . . 1 . . . . 196 VAL CA . 19245 1 933 . 1 1 196 196 VAL CB C 13 32.1300 . . 1 . . . . 196 VAL CB . 19245 1 934 . 1 1 196 196 VAL N N 15 109.9000 . . 1 . . . . 196 VAL N . 19245 1 935 . 1 1 197 197 GLY H H 1 7.6420 . . 1 . . . . 197 GLY HN . 19245 1 936 . 1 1 197 197 GLY C C 13 170.5000 . . 1 . . . . 197 GLY C . 19245 1 937 . 1 1 197 197 GLY CA C 13 44.5900 . . 1 . . . . 197 GLY CA . 19245 1 938 . 1 1 197 197 GLY N N 15 110.0000 . . 1 . . . . 197 GLY N . 19245 1 939 . 1 1 198 198 THR H H 1 7.8640 . . 1 . . . . 198 THR HN . 19245 1 940 . 1 1 198 198 THR C C 13 172.1000 . . 1 . . . . 198 THR C . 19245 1 941 . 1 1 198 198 THR CA C 13 58.9000 . . 1 . . . . 198 THR CA . 19245 1 942 . 1 1 198 198 THR CB C 13 71.4700 . . 1 . . . . 198 THR CB . 19245 1 943 . 1 1 198 198 THR N N 15 107.9000 . . 1 . . . . 198 THR N . 19245 1 944 . 1 1 199 199 GLY H H 1 8.4160 . . 1 . . . . 199 GLY HN . 19245 1 945 . 1 1 199 199 GLY C C 13 172.2000 . . 1 . . . . 199 GLY C . 19245 1 946 . 1 1 199 199 GLY CA C 13 44.0200 . . 1 . . . . 199 GLY CA . 19245 1 947 . 1 1 199 199 GLY N N 15 104.3000 . . 1 . . . . 199 GLY N . 19245 1 948 . 1 1 200 200 MET H H 1 8.1080 . . 1 . . . . 200 MET HN . 19245 1 949 . 1 1 200 200 MET C C 13 176.4000 . . 1 . . . . 200 MET C . 19245 1 950 . 1 1 200 200 MET CA C 13 55.5100 . . 1 . . . . 200 MET CA . 19245 1 951 . 1 1 200 200 MET CB C 13 33.3200 . . 1 . . . . 200 MET CB . 19245 1 952 . 1 1 200 200 MET N N 15 121.0000 . . 1 . . . . 200 MET N . 19245 1 953 . 1 1 201 201 GLY H H 1 8.7570 . . 1 . . . . 201 GLY HN . 19245 1 954 . 1 1 201 201 GLY C C 13 172.0000 . . 1 . . . . 201 GLY C . 19245 1 955 . 1 1 201 201 GLY CA C 13 44.3200 . . 1 . . . . 201 GLY CA . 19245 1 956 . 1 1 201 201 GLY N N 15 111.7000 . . 1 . . . . 201 GLY N . 19245 1 957 . 1 1 202 202 LEU H H 1 8.7830 . . 1 . . . . 202 LEU HN . 19245 1 958 . 1 1 202 202 LEU C C 13 175.9000 . . 1 . . . . 202 LEU C . 19245 1 959 . 1 1 202 202 LEU CA C 13 53.7200 . . 1 . . . . 202 LEU CA . 19245 1 960 . 1 1 202 202 LEU CB C 13 46.0900 . . 1 . . . . 202 LEU CB . 19245 1 961 . 1 1 202 202 LEU N N 15 124.8000 . . 1 . . . . 202 LEU N . 19245 1 962 . 1 1 203 203 ARG H H 1 10.3400 . . 1 . . . . 203 ARG HN . 19245 1 963 . 1 1 203 203 ARG C C 13 180.4000 . . 1 . . . . 203 ARG C . 19245 1 964 . 1 1 203 203 ARG CA C 13 57.1200 . . 1 . . . . 203 ARG CA . 19245 1 965 . 1 1 203 203 ARG CB C 13 29.6100 . . 1 . . . . 203 ARG CB . 19245 1 966 . 1 1 203 203 ARG N N 15 121.9000 . . 1 . . . . 203 ARG N . 19245 1 967 . 1 1 204 204 LYS H H 1 9.2860 . . 1 . . . . 204 LYS HN . 19245 1 968 . 1 1 204 204 LYS C C 13 178.2000 . . 1 . . . . 204 LYS C . 19245 1 969 . 1 1 204 204 LYS CA C 13 59.6000 . . 1 . . . . 204 LYS CA . 19245 1 970 . 1 1 204 204 LYS CB C 13 31.8300 . . 1 . . . . 204 LYS CB . 19245 1 971 . 1 1 204 204 LYS N N 15 123.2000 . . 1 . . . . 204 LYS N . 19245 1 972 . 1 1 205 205 GLU H H 1 9.0270 . . 1 . . . . 205 GLU HN . 19245 1 973 . 1 1 205 205 GLU C C 13 177.6000 . . 1 . . . . 205 GLU C . 19245 1 974 . 1 1 205 205 GLU CA C 13 57.2200 . . 1 . . . . 205 GLU CA . 19245 1 975 . 1 1 205 205 GLU CB C 13 27.7200 . . 1 . . . . 205 GLU CB . 19245 1 976 . 1 1 205 205 GLU N N 15 113.8000 . . 1 . . . . 205 GLU N . 19245 1 977 . 1 1 206 206 ASP H H 1 7.2610 . . 1 . . . . 206 ASP HN . 19245 1 978 . 1 1 206 206 ASP C C 13 177.4000 . . 1 . . . . 206 ASP C . 19245 1 979 . 1 1 206 206 ASP CA C 13 53.6700 . . 1 . . . . 206 ASP CA . 19245 1 980 . 1 1 206 206 ASP CB C 13 37.5300 . . 1 . . . . 206 ASP CB . 19245 1 981 . 1 1 206 206 ASP N N 15 126.1000 . . 1 . . . . 206 ASP N . 19245 1 982 . 1 1 207 207 ASN H H 1 7.8370 . . 1 . . . . 207 ASN HN . 19245 1 983 . 1 1 207 207 ASN C C 13 176.9000 . . 1 . . . . 207 ASN C . 19245 1 984 . 1 1 207 207 ASN CA C 13 56.9700 . . 1 . . . . 207 ASN CA . 19245 1 985 . 1 1 207 207 ASN CB C 13 38.8900 . . 1 . . . . 207 ASN CB . 19245 1 986 . 1 1 207 207 ASN N N 15 120.2000 . . 1 . . . . 207 ASN N . 19245 1 987 . 1 1 208 208 GLU H H 1 8.7820 . . 1 . . . . 208 GLU HN . 19245 1 988 . 1 1 208 208 GLU C C 13 179.9000 . . 1 . . . . 208 GLU C . 19245 1 989 . 1 1 208 208 GLU CA C 13 59.8400 . . 1 . . . . 208 GLU CA . 19245 1 990 . 1 1 208 208 GLU CB C 13 27.6200 . . 1 . . . . 208 GLU CB . 19245 1 991 . 1 1 208 208 GLU N N 15 120.5000 . . 1 . . . . 208 GLU N . 19245 1 992 . 1 1 209 209 LEU H H 1 8.3650 . . 1 . . . . 209 LEU HN . 19245 1 993 . 1 1 209 209 LEU C C 13 177.1000 . . 1 . . . . 209 LEU C . 19245 1 994 . 1 1 209 209 LEU CA C 13 57.4200 . . 1 . . . . 209 LEU CA . 19245 1 995 . 1 1 209 209 LEU CB C 13 40.6800 . . 1 . . . . 209 LEU CB . 19245 1 996 . 1 1 209 209 LEU N N 15 122.9000 . . 1 . . . . 209 LEU N . 19245 1 997 . 1 1 210 210 ARG H H 1 7.5690 . . 1 . . . . 210 ARG HN . 19245 1 998 . 1 1 210 210 ARG C C 13 177.5000 . . 1 . . . . 210 ARG C . 19245 1 999 . 1 1 210 210 ARG CA C 13 59.9500 . . 1 . . . . 210 ARG CA . 19245 1 1000 . 1 1 210 210 ARG CB C 13 30.0700 . . 1 . . . . 210 ARG CB . 19245 1 1001 . 1 1 210 210 ARG N N 15 119.2000 . . 1 . . . . 210 ARG N . 19245 1 1002 . 1 1 211 211 GLU H H 1 8.4150 . . 1 . . . . 211 GLU HN . 19245 1 1003 . 1 1 211 211 GLU C C 13 179.8000 . . 1 . . . . 211 GLU C . 19245 1 1004 . 1 1 211 211 GLU CA C 13 59.1500 . . 1 . . . . 211 GLU CA . 19245 1 1005 . 1 1 211 211 GLU CB C 13 28.5800 . . 1 . . . . 211 GLU CB . 19245 1 1006 . 1 1 211 211 GLU N N 15 116.2000 . . 1 . . . . 211 GLU N . 19245 1 1007 . 1 1 212 212 ALA H H 1 8.1610 . . 1 . . . . 212 ALA HN . 19245 1 1008 . 1 1 212 212 ALA C C 13 181.3000 . . 1 . . . . 212 ALA C . 19245 1 1009 . 1 1 212 212 ALA CA C 13 54.7600 . . 1 . . . . 212 ALA CA . 19245 1 1010 . 1 1 212 212 ALA CB C 13 17.1800 . . 1 . . . . 212 ALA CB . 19245 1 1011 . 1 1 212 212 ALA N N 15 123.5000 . . 1 . . . . 212 ALA N . 19245 1 1012 . 1 1 213 213 LEU H H 1 8.3770 . . 1 . . . . 213 LEU HN . 19245 1 1013 . 1 1 213 213 LEU C C 13 178.5000 . . 1 . . . . 213 LEU C . 19245 1 1014 . 1 1 213 213 LEU CA C 13 57.6600 . . 1 . . . . 213 LEU CA . 19245 1 1015 . 1 1 213 213 LEU CB C 13 41.5300 . . 1 . . . . 213 LEU CB . 19245 1 1016 . 1 1 213 213 LEU N N 15 121.1000 . . 1 . . . . 213 LEU N . 19245 1 1017 . 1 1 214 214 ASN H H 1 8.4320 . . 1 . . . . 214 ASN HN . 19245 1 1018 . 1 1 214 214 ASN C C 13 179.7000 . . 1 . . . . 214 ASN C . 19245 1 1019 . 1 1 214 214 ASN CA C 13 55.2200 . . 1 . . . . 214 ASN CA . 19245 1 1020 . 1 1 214 214 ASN CB C 13 37.1000 . . 1 . . . . 214 ASN CB . 19245 1 1021 . 1 1 214 214 ASN N N 15 119.2000 . . 1 . . . . 214 ASN N . 19245 1 1022 . 1 1 215 215 LYS H H 1 8.1080 . . 1 . . . . 215 LYS HN . 19245 1 1023 . 1 1 215 215 LYS C C 13 178.4000 . . 1 . . . . 215 LYS C . 19245 1 1024 . 1 1 215 215 LYS CA C 13 59.1100 . . 1 . . . . 215 LYS CA . 19245 1 1025 . 1 1 215 215 LYS CB C 13 31.7300 . . 1 . . . . 215 LYS CB . 19245 1 1026 . 1 1 215 215 LYS N N 15 123.9000 . . 1 . . . . 215 LYS N . 19245 1 1027 . 1 1 216 216 ALA H H 1 7.9560 . . 1 . . . . 216 ALA HN . 19245 1 1028 . 1 1 216 216 ALA C C 13 179.5000 . . 1 . . . . 216 ALA C . 19245 1 1029 . 1 1 216 216 ALA CA C 13 54.1700 . . 1 . . . . 216 ALA CA . 19245 1 1030 . 1 1 216 216 ALA CB C 13 18.7000 . . 1 . . . . 216 ALA CB . 19245 1 1031 . 1 1 216 216 ALA N N 15 122.1000 . . 1 . . . . 216 ALA N . 19245 1 1032 . 1 1 217 217 PHE H H 1 8.9280 . . 1 . . . . 217 PHE HN . 19245 1 1033 . 1 1 217 217 PHE C C 13 177.2000 . . 1 . . . . 217 PHE C . 19245 1 1034 . 1 1 217 217 PHE CA C 13 61.2700 . . 1 . . . . 217 PHE CA . 19245 1 1035 . 1 1 217 217 PHE CB C 13 37.9500 . . 1 . . . . 217 PHE CB . 19245 1 1036 . 1 1 217 217 PHE N N 15 119.5000 . . 1 . . . . 217 PHE N . 19245 1 1037 . 1 1 218 218 ALA H H 1 7.9970 . . 1 . . . . 218 ALA HN . 19245 1 1038 . 1 1 218 218 ALA C C 13 182.1000 . . 1 . . . . 218 ALA C . 19245 1 1039 . 1 1 218 218 ALA CA C 13 54.8000 . . 1 . . . . 218 ALA CA . 19245 1 1040 . 1 1 218 218 ALA CB C 13 16.6700 . . 1 . . . . 218 ALA CB . 19245 1 1041 . 1 1 218 218 ALA N N 15 121.4000 . . 1 . . . . 218 ALA N . 19245 1 1042 . 1 1 219 219 GLU H H 1 7.9910 . . 1 . . . . 219 GLU HN . 19245 1 1043 . 1 1 219 219 GLU C C 13 178.6000 . . 1 . . . . 219 GLU C . 19245 1 1044 . 1 1 219 219 GLU CA C 13 59.0800 . . 1 . . . . 219 GLU CA . 19245 1 1045 . 1 1 219 219 GLU CB C 13 28.3000 . . 1 . . . . 219 GLU CB . 19245 1 1046 . 1 1 219 219 GLU N N 15 120.1000 . . 1 . . . . 219 GLU N . 19245 1 1047 . 1 1 220 220 MET H H 1 8.2330 . . 1 . . . . 220 MET HN . 19245 1 1048 . 1 1 220 220 MET C C 13 179.2000 . . 1 . . . . 220 MET C . 19245 1 1049 . 1 1 220 220 MET CA C 13 57.4500 . . 1 . . . . 220 MET CA . 19245 1 1050 . 1 1 220 220 MET CB C 13 32.7100 . . 1 . . . . 220 MET CB . 19245 1 1051 . 1 1 220 220 MET N N 15 120.9000 . . 1 . . . . 220 MET N . 19245 1 1052 . 1 1 221 221 ARG H H 1 7.8010 . . 1 . . . . 221 ARG HN . 19245 1 1053 . 1 1 221 221 ARG C C 13 179.2000 . . 1 . . . . 221 ARG C . 19245 1 1054 . 1 1 221 221 ARG CA C 13 58.7100 . . 1 . . . . 221 ARG CA . 19245 1 1055 . 1 1 221 221 ARG CB C 13 27.5100 . . 1 . . . . 221 ARG CB . 19245 1 1056 . 1 1 221 221 ARG N N 15 119.4000 . . 1 . . . . 221 ARG N . 19245 1 1057 . 1 1 222 222 ALA H H 1 7.8320 . . 1 . . . . 222 ALA HN . 19245 1 1058 . 1 1 222 222 ALA C C 13 179.3000 . . 1 . . . . 222 ALA C . 19245 1 1059 . 1 1 222 222 ALA CA C 13 54.1500 . . 1 . . . . 222 ALA CA . 19245 1 1060 . 1 1 222 222 ALA CB C 13 18.0800 . . 1 . . . . 222 ALA CB . 19245 1 1061 . 1 1 222 222 ALA N N 15 122.4000 . . 1 . . . . 222 ALA N . 19245 1 1062 . 1 1 223 223 ASP H H 1 8.1600 . . 1 . . . . 223 ASP HN . 19245 1 1063 . 1 1 223 223 ASP C C 13 177.9000 . . 1 . . . . 223 ASP C . 19245 1 1064 . 1 1 223 223 ASP CA C 13 53.0800 . . 1 . . . . 223 ASP CA . 19245 1 1065 . 1 1 223 223 ASP CB C 13 39.5900 . . 1 . . . . 223 ASP CB . 19245 1 1066 . 1 1 223 223 ASP N N 15 115.2000 . . 1 . . . . 223 ASP N . 19245 1 1067 . 1 1 224 224 GLY H H 1 7.1940 . . 1 . . . . 224 GLY HN . 19245 1 1068 . 1 1 224 224 GLY C C 13 176.0000 . . 1 . . . . 224 GLY C . 19245 1 1069 . 1 1 224 224 GLY CA C 13 45.0700 . . 1 . . . . 224 GLY CA . 19245 1 1070 . 1 1 224 224 GLY N N 15 106.7000 . . 1 . . . . 224 GLY N . 19245 1 1071 . 1 1 225 225 THR H H 1 9.1350 . . 1 . . . . 225 THR HN . 19245 1 1072 . 1 1 225 225 THR C C 13 175.7000 . . 1 . . . . 225 THR C . 19245 1 1073 . 1 1 225 225 THR CA C 13 67.6300 . . 1 . . . . 225 THR CA . 19245 1 1074 . 1 1 225 225 THR CB C 13 66.8000 . . 1 . . . . 225 THR CB . 19245 1 1075 . 1 1 225 225 THR N N 15 122.5000 . . 1 . . . . 225 THR N . 19245 1 1076 . 1 1 226 226 TYR H H 1 8.0900 . . 1 . . . . 226 TYR HN . 19245 1 1077 . 1 1 226 226 TYR C C 13 176.0000 . . 1 . . . . 226 TYR C . 19245 1 1078 . 1 1 226 226 TYR CA C 13 62.5800 . . 1 . . . . 226 TYR CA . 19245 1 1079 . 1 1 226 226 TYR CB C 13 38.3400 . . 1 . . . . 226 TYR CB . 19245 1 1080 . 1 1 226 226 TYR N N 15 121.6000 . . 1 . . . . 226 TYR N . 19245 1 1081 . 1 1 227 227 GLU H H 1 8.1560 . . 1 . . . . 227 GLU HN . 19245 1 1082 . 1 1 227 227 GLU C C 13 178.2000 . . 1 . . . . 227 GLU C . 19245 1 1083 . 1 1 227 227 GLU CA C 13 58.9300 . . 1 . . . . 227 GLU CA . 19245 1 1084 . 1 1 227 227 GLU CB C 13 28.8000 . . 1 . . . . 227 GLU CB . 19245 1 1085 . 1 1 227 227 GLU N N 15 118.2000 . . 1 . . . . 227 GLU N . 19245 1 1086 . 1 1 228 228 LYS H H 1 7.6190 . . 1 . . . . 228 LYS HN . 19245 1 1087 . 1 1 228 228 LYS C C 13 179.5000 . . 1 . . . . 228 LYS C . 19245 1 1088 . 1 1 228 228 LYS CA C 13 59.3300 . . 1 . . . . 228 LYS CA . 19245 1 1089 . 1 1 228 228 LYS CB C 13 31.6100 . . 1 . . . . 228 LYS CB . 19245 1 1090 . 1 1 228 228 LYS N N 15 119.4000 . . 1 . . . . 228 LYS N . 19245 1 1091 . 1 1 229 229 LEU H H 1 8.1390 . . 1 . . . . 229 LEU HN . 19245 1 1092 . 1 1 229 229 LEU C C 13 179.4000 . . 1 . . . . 229 LEU C . 19245 1 1093 . 1 1 229 229 LEU CA C 13 56.9800 . . 1 . . . . 229 LEU CA . 19245 1 1094 . 1 1 229 229 LEU CB C 13 41.4500 . . 1 . . . . 229 LEU CB . 19245 1 1095 . 1 1 229 229 LEU N N 15 119.1000 . . 1 . . . . 229 LEU N . 19245 1 1096 . 1 1 230 230 ALA H H 1 8.9350 . . 1 . . . . 230 ALA HN . 19245 1 1097 . 1 1 230 230 ALA C C 13 180.5000 . . 1 . . . . 230 ALA C . 19245 1 1098 . 1 1 230 230 ALA CA C 13 54.8900 . . 1 . . . . 230 ALA CA . 19245 1 1099 . 1 1 230 230 ALA CB C 13 17.4600 . . 1 . . . . 230 ALA CB . 19245 1 1100 . 1 1 230 230 ALA N N 15 121.2000 . . 1 . . . . 230 ALA N . 19245 1 1101 . 1 1 231 231 LYS H H 1 8.1220 . . 1 . . . . 231 LYS HN . 19245 1 1102 . 1 1 231 231 LYS C C 13 177.7000 . . 1 . . . . 231 LYS C . 19245 1 1103 . 1 1 231 231 LYS CA C 13 57.4000 . . 1 . . . . 231 LYS CA . 19245 1 1104 . 1 1 231 231 LYS CB C 13 31.3400 . . 1 . . . . 231 LYS CB . 19245 1 1105 . 1 1 231 231 LYS N N 15 117.4000 . . 1 . . . . 231 LYS N . 19245 1 1106 . 1 1 232 232 LYS H H 1 7.0460 . . 1 . . . . 232 LYS HN . 19245 1 1107 . 1 1 232 232 LYS C C 13 176.7000 . . 1 . . . . 232 LYS C . 19245 1 1108 . 1 1 232 232 LYS CA C 13 57.8900 . . 1 . . . . 232 LYS CA . 19245 1 1109 . 1 1 232 232 LYS CB C 13 31.2300 . . 1 . . . . 232 LYS CB . 19245 1 1110 . 1 1 232 232 LYS N N 15 117.8000 . . 1 . . . . 232 LYS N . 19245 1 1111 . 1 1 233 233 TYR H H 1 6.9680 . . 1 . . . . 233 TYR HN . 19245 1 1112 . 1 1 233 233 TYR C C 13 175.2000 . . 1 . . . . 233 TYR C . 19245 1 1113 . 1 1 233 233 TYR CA C 13 58.0800 . . 1 . . . . 233 TYR CA . 19245 1 1114 . 1 1 233 233 TYR CB C 13 38.8600 . . 1 . . . . 233 TYR CB . 19245 1 1115 . 1 1 233 233 TYR N N 15 113.8000 . . 1 . . . . 233 TYR N . 19245 1 1116 . 1 1 234 234 PHE H H 1 8.1210 . . 1 . . . . 234 PHE HN . 19245 1 1117 . 1 1 234 234 PHE C C 13 175.8000 . . 1 . . . . 234 PHE C . 19245 1 1118 . 1 1 234 234 PHE CA C 13 54.4400 . . 1 . . . . 234 PHE CA . 19245 1 1119 . 1 1 234 234 PHE CB C 13 41.1700 . . 1 . . . . 234 PHE CB . 19245 1 1120 . 1 1 234 234 PHE N N 15 116.1000 . . 1 . . . . 234 PHE N . 19245 1 1121 . 1 1 235 235 ASP H H 1 8.6070 . . 1 . . . . 235 ASP HN . 19245 1 1122 . 1 1 235 235 ASP C C 13 174.3000 . . 1 . . . . 235 ASP C . 19245 1 1123 . 1 1 235 235 ASP CA C 13 52.2000 . . 1 . . . . 235 ASP CA . 19245 1 1124 . 1 1 235 235 ASP CB C 13 39.4200 . . 1 . . . . 235 ASP CB . 19245 1 1125 . 1 1 235 235 ASP N N 15 123.3000 . . 1 . . . . 235 ASP N . 19245 1 1126 . 1 1 236 236 PHE H H 1 6.6390 . . 1 . . . . 236 PHE HN . 19245 1 1127 . 1 1 236 236 PHE C C 13 173.7000 . . 1 . . . . 236 PHE C . 19245 1 1128 . 1 1 236 236 PHE CA C 13 53.7700 . . 1 . . . . 236 PHE CA . 19245 1 1129 . 1 1 236 236 PHE CB C 13 39.9800 . . 1 . . . . 236 PHE CB . 19245 1 1130 . 1 1 236 236 PHE N N 15 115.0000 . . 1 . . . . 236 PHE N . 19245 1 1131 . 1 1 237 237 ASP H H 1 8.7280 . . 1 . . . . 237 ASP HN . 19245 1 1132 . 1 1 237 237 ASP C C 13 175.8000 . . 1 . . . . 237 ASP C . 19245 1 1133 . 1 1 237 237 ASP CA C 13 53.1100 . . 1 . . . . 237 ASP CA . 19245 1 1134 . 1 1 237 237 ASP CB C 13 39.4100 . . 1 . . . . 237 ASP CB . 19245 1 1135 . 1 1 237 237 ASP N N 15 119.2000 . . 1 . . . . 237 ASP N . 19245 1 1136 . 1 1 238 238 VAL H H 1 7.5440 . . 1 . . . . 238 VAL HN . 19245 1 1137 . 1 1 238 238 VAL C C 13 175.6000 . . 1 . . . . 238 VAL C . 19245 1 1138 . 1 1 238 238 VAL CA C 13 61.6600 . . 1 . . . . 238 VAL CA . 19245 1 1139 . 1 1 238 238 VAL CB C 13 32.4800 . . 1 . . . . 238 VAL CB . 19245 1 1140 . 1 1 238 238 VAL N N 15 129.4000 . . 1 . . . . 238 VAL N . 19245 1 1141 . 1 1 239 239 TYR H H 1 8.3820 . . 1 . . . . 239 TYR HN . 19245 1 1142 . 1 1 239 239 TYR C C 13 176.8000 . . 1 . . . . 239 TYR C . 19245 1 1143 . 1 1 239 239 TYR CA C 13 62.2900 . . 1 . . . . 239 TYR CA . 19245 1 1144 . 1 1 239 239 TYR CB C 13 38.0400 . . 1 . . . . 239 TYR CB . 19245 1 1145 . 1 1 239 239 TYR N N 15 124.5000 . . 1 . . . . 239 TYR N . 19245 1 1146 . 1 1 240 240 GLY H H 1 7.6180 . . 1 . . . . 240 GLY HN . 19245 1 1147 . 1 1 240 240 GLY C C 13 174.3000 . . 1 . . . . 240 GLY C . 19245 1 1148 . 1 1 240 240 GLY CA C 13 45.4400 . . 1 . . . . 240 GLY CA . 19245 1 1149 . 1 1 240 240 GLY N N 15 104.7000 . . 1 . . . . 240 GLY N . 19245 1 1150 . 1 1 241 241 GLY H H 1 7.9330 . . 1 . . . . 241 GLY HN . 19245 1 1151 . 1 1 241 241 GLY C C 13 179.1000 . . 1 . . . . 241 GLY C . 19245 1 1152 . 1 1 241 241 GLY CA C 13 45.6500 . . 1 . . . . 241 GLY CA . 19245 1 1153 . 1 1 241 241 GLY N N 15 115.6000 . . 1 . . . . 241 GLY N . 19245 1 stop_ save_