data_19242 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19242 _Entry.Title ; The solution NMR structure of E. coli apo-HisJ ; _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.' . 19242 2 Hans Vogel . J. . 19242 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19242 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID apo . 19242 'E. coli' . 19242 HisJ . 19242 'Periplasmic binding protein' . 19242 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19242 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 697 19242 '15N chemical shifts' 229 19242 '1H chemical shifts' 229 19242 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 . . 2013-12-09 2013-05-15 update BMRB 'update entry citation' 19242 1 . . 2013-09-30 2013-05-15 original author 'original release' 19242 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19243 'Backbone chemical shifts of isolated Domain 1 from E. coli HisJ' 19242 BMRB 19244 'Backbone chemical shifts of isolated Domain 2 from E. coli HisJ' 19242 BMRB 19245 'Backbone chemical shifts from E. coli HisJ complexed with Histidine' 19242 PDB 2M8C 'BMRB Entry Tracking System' 19242 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19242 _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. . 19242 1 2 Timothy Dewolf . . . 19242 1 3 Hans Vogel . J. . 19242 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19242 _Assembly.ID 1 _Assembly.Name apo-HisJ _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 apo-HisJ 1 $apo-HisJ A . yes native no no . . . 19242 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 apo-HisJ 1 CYS 41 41 SG . 1 apo-HisJ 1 CYS 48 48 SG . apo-HisJ 41 CYS SG . apo-HisJ 48 CYS SG 19242 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apo-HisJ _Entity.Sf_category entity _Entity.Sf_framecode apo-HisJ _Entity.Entry_ID 19242 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apo-HisJ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _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 man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26264.783 _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 . . . . 19242 1 2 no BMRB 16205 . HisJ . . . . . 98.76 238 100.00 100.00 3.15e-172 . . . . 19242 1 3 no BMRB 19245 . Holo-HisJ . . . . . 100.00 241 100.00 100.00 5.51e-175 . . . . 19242 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 . . . . 19242 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 . . . . 19242 1 6 no PDB 2M8C . "The Solution Nmr Structure Of E. Coli Apo-hisj" . . . . . 100.00 241 100.00 100.00 5.51e-175 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 1 10 no DBJ BAG78142 . "histidine ABC transporter substrate binding component [Escherichia coli SE11]" . . . . . 98.76 260 100.00 100.00 4.37e-173 . . . . 19242 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 . . . . 19242 1 12 no EMBL CAA24658 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19242 1 13 no EMBL CAA24659 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 1 17 no GB AAA75578 . "J protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19242 1 18 no GB AAA85769 . "histidine-binding periplasmic protein HisJ [Escherichia coli]" . . . . . 98.76 260 99.58 99.58 3.10e-172 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 1 23 no PRF 0809313B . "protein hisJ" . . . . . 98.76 260 98.32 99.16 2.18e-170 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . . . . 19242 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 . 19242 1 2 . GLY . 19242 1 3 . MET . 19242 1 4 . ALA . 19242 1 5 . ILE . 19242 1 6 . PRO . 19242 1 7 . GLN . 19242 1 8 . ASN . 19242 1 9 . ILE . 19242 1 10 . ARG . 19242 1 11 . ILE . 19242 1 12 . GLY . 19242 1 13 . THR . 19242 1 14 . ASP . 19242 1 15 . PRO . 19242 1 16 . THR . 19242 1 17 . TYR . 19242 1 18 . ALA . 19242 1 19 . PRO . 19242 1 20 . PHE . 19242 1 21 . GLU . 19242 1 22 . SER . 19242 1 23 . LYS . 19242 1 24 . ASN . 19242 1 25 . SER . 19242 1 26 . GLN . 19242 1 27 . GLY . 19242 1 28 . GLU . 19242 1 29 . LEU . 19242 1 30 . VAL . 19242 1 31 . GLY . 19242 1 32 . PHE . 19242 1 33 . ASP . 19242 1 34 . ILE . 19242 1 35 . ASP . 19242 1 36 . LEU . 19242 1 37 . ALA . 19242 1 38 . LYS . 19242 1 39 . GLU . 19242 1 40 . LEU . 19242 1 41 . CYS . 19242 1 42 . LYS . 19242 1 43 . ARG . 19242 1 44 . ILE . 19242 1 45 . ASN . 19242 1 46 . THR . 19242 1 47 . GLN . 19242 1 48 . CYS . 19242 1 49 . THR . 19242 1 50 . PHE . 19242 1 51 . VAL . 19242 1 52 . GLU . 19242 1 53 . ASN . 19242 1 54 . PRO . 19242 1 55 . LEU . 19242 1 56 . ASP . 19242 1 57 . ALA . 19242 1 58 . LEU . 19242 1 59 . ILE . 19242 1 60 . PRO . 19242 1 61 . SER . 19242 1 62 . LEU . 19242 1 63 . LYS . 19242 1 64 . ALA . 19242 1 65 . LYS . 19242 1 66 . LYS . 19242 1 67 . ILE . 19242 1 68 . ASP . 19242 1 69 . ALA . 19242 1 70 . ILE . 19242 1 71 . MET . 19242 1 72 . SER . 19242 1 73 . SER . 19242 1 74 . LEU . 19242 1 75 . SER . 19242 1 76 . ILE . 19242 1 77 . THR . 19242 1 78 . GLU . 19242 1 79 . LYS . 19242 1 80 . ARG . 19242 1 81 . GLN . 19242 1 82 . GLN . 19242 1 83 . GLU . 19242 1 84 . ILE . 19242 1 85 . ALA . 19242 1 86 . PHE . 19242 1 87 . THR . 19242 1 88 . ASP . 19242 1 89 . LYS . 19242 1 90 . LEU . 19242 1 91 . TYR . 19242 1 92 . ALA . 19242 1 93 . ALA . 19242 1 94 . ASP . 19242 1 95 . SER . 19242 1 96 . ARG . 19242 1 97 . LEU . 19242 1 98 . VAL . 19242 1 99 . VAL . 19242 1 100 . ALA . 19242 1 101 . LYS . 19242 1 102 . ASN . 19242 1 103 . SER . 19242 1 104 . ASP . 19242 1 105 . ILE . 19242 1 106 . GLN . 19242 1 107 . PRO . 19242 1 108 . THR . 19242 1 109 . VAL . 19242 1 110 . GLU . 19242 1 111 . SER . 19242 1 112 . LEU . 19242 1 113 . LYS . 19242 1 114 . GLY . 19242 1 115 . LYS . 19242 1 116 . ARG . 19242 1 117 . VAL . 19242 1 118 . GLY . 19242 1 119 . VAL . 19242 1 120 . LEU . 19242 1 121 . GLN . 19242 1 122 . GLY . 19242 1 123 . THR . 19242 1 124 . THR . 19242 1 125 . GLN . 19242 1 126 . GLU . 19242 1 127 . THR . 19242 1 128 . PHE . 19242 1 129 . GLY . 19242 1 130 . ASN . 19242 1 131 . GLU . 19242 1 132 . HIS . 19242 1 133 . TRP . 19242 1 134 . ALA . 19242 1 135 . PRO . 19242 1 136 . LYS . 19242 1 137 . GLY . 19242 1 138 . ILE . 19242 1 139 . GLU . 19242 1 140 . ILE . 19242 1 141 . VAL . 19242 1 142 . SER . 19242 1 143 . TYR . 19242 1 144 . GLN . 19242 1 145 . GLY . 19242 1 146 . GLN . 19242 1 147 . ASP . 19242 1 148 . ASN . 19242 1 149 . ILE . 19242 1 150 . TYR . 19242 1 151 . SER . 19242 1 152 . ASP . 19242 1 153 . LEU . 19242 1 154 . THR . 19242 1 155 . ALA . 19242 1 156 . GLY . 19242 1 157 . ARG . 19242 1 158 . ILE . 19242 1 159 . ASP . 19242 1 160 . ALA . 19242 1 161 . ALA . 19242 1 162 . PHE . 19242 1 163 . GLN . 19242 1 164 . ASP . 19242 1 165 . GLU . 19242 1 166 . VAL . 19242 1 167 . ALA . 19242 1 168 . ALA . 19242 1 169 . SER . 19242 1 170 . GLU . 19242 1 171 . GLY . 19242 1 172 . PHE . 19242 1 173 . LEU . 19242 1 174 . LYS . 19242 1 175 . GLN . 19242 1 176 . PRO . 19242 1 177 . VAL . 19242 1 178 . GLY . 19242 1 179 . LYS . 19242 1 180 . ASP . 19242 1 181 . TYR . 19242 1 182 . LYS . 19242 1 183 . PHE . 19242 1 184 . GLY . 19242 1 185 . GLY . 19242 1 186 . PRO . 19242 1 187 . SER . 19242 1 188 . VAL . 19242 1 189 . LYS . 19242 1 190 . ASP . 19242 1 191 . GLU . 19242 1 192 . LYS . 19242 1 193 . LEU . 19242 1 194 . PHE . 19242 1 195 . GLY . 19242 1 196 . VAL . 19242 1 197 . GLY . 19242 1 198 . THR . 19242 1 199 . GLY . 19242 1 200 . MET . 19242 1 201 . GLY . 19242 1 202 . LEU . 19242 1 203 . ARG . 19242 1 204 . LYS . 19242 1 205 . GLU . 19242 1 206 . ASP . 19242 1 207 . ASN . 19242 1 208 . GLU . 19242 1 209 . LEU . 19242 1 210 . ARG . 19242 1 211 . GLU . 19242 1 212 . ALA . 19242 1 213 . LEU . 19242 1 214 . ASN . 19242 1 215 . LYS . 19242 1 216 . ALA . 19242 1 217 . PHE . 19242 1 218 . ALA . 19242 1 219 . GLU . 19242 1 220 . MET . 19242 1 221 . ARG . 19242 1 222 . ALA . 19242 1 223 . ASP . 19242 1 224 . GLY . 19242 1 225 . THR . 19242 1 226 . TYR . 19242 1 227 . GLU . 19242 1 228 . LYS . 19242 1 229 . LEU . 19242 1 230 . ALA . 19242 1 231 . LYS . 19242 1 232 . LYS . 19242 1 233 . TYR . 19242 1 234 . PHE . 19242 1 235 . ASP . 19242 1 236 . PHE . 19242 1 237 . ASP . 19242 1 238 . VAL . 19242 1 239 . TYR . 19242 1 240 . GLY . 19242 1 241 . GLY . 19242 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 19242 1 . GLY 2 2 19242 1 . MET 3 3 19242 1 . ALA 4 4 19242 1 . ILE 5 5 19242 1 . PRO 6 6 19242 1 . GLN 7 7 19242 1 . ASN 8 8 19242 1 . ILE 9 9 19242 1 . ARG 10 10 19242 1 . ILE 11 11 19242 1 . GLY 12 12 19242 1 . THR 13 13 19242 1 . ASP 14 14 19242 1 . PRO 15 15 19242 1 . THR 16 16 19242 1 . TYR 17 17 19242 1 . ALA 18 18 19242 1 . PRO 19 19 19242 1 . PHE 20 20 19242 1 . GLU 21 21 19242 1 . SER 22 22 19242 1 . LYS 23 23 19242 1 . ASN 24 24 19242 1 . SER 25 25 19242 1 . GLN 26 26 19242 1 . GLY 27 27 19242 1 . GLU 28 28 19242 1 . LEU 29 29 19242 1 . VAL 30 30 19242 1 . GLY 31 31 19242 1 . PHE 32 32 19242 1 . ASP 33 33 19242 1 . ILE 34 34 19242 1 . ASP 35 35 19242 1 . LEU 36 36 19242 1 . ALA 37 37 19242 1 . LYS 38 38 19242 1 . GLU 39 39 19242 1 . LEU 40 40 19242 1 . CYS 41 41 19242 1 . LYS 42 42 19242 1 . ARG 43 43 19242 1 . ILE 44 44 19242 1 . ASN 45 45 19242 1 . THR 46 46 19242 1 . GLN 47 47 19242 1 . CYS 48 48 19242 1 . THR 49 49 19242 1 . PHE 50 50 19242 1 . VAL 51 51 19242 1 . GLU 52 52 19242 1 . ASN 53 53 19242 1 . PRO 54 54 19242 1 . LEU 55 55 19242 1 . ASP 56 56 19242 1 . ALA 57 57 19242 1 . LEU 58 58 19242 1 . ILE 59 59 19242 1 . PRO 60 60 19242 1 . SER 61 61 19242 1 . LEU 62 62 19242 1 . LYS 63 63 19242 1 . ALA 64 64 19242 1 . LYS 65 65 19242 1 . LYS 66 66 19242 1 . ILE 67 67 19242 1 . ASP 68 68 19242 1 . ALA 69 69 19242 1 . ILE 70 70 19242 1 . MET 71 71 19242 1 . SER 72 72 19242 1 . SER 73 73 19242 1 . LEU 74 74 19242 1 . SER 75 75 19242 1 . ILE 76 76 19242 1 . THR 77 77 19242 1 . GLU 78 78 19242 1 . LYS 79 79 19242 1 . ARG 80 80 19242 1 . GLN 81 81 19242 1 . GLN 82 82 19242 1 . GLU 83 83 19242 1 . ILE 84 84 19242 1 . ALA 85 85 19242 1 . PHE 86 86 19242 1 . THR 87 87 19242 1 . ASP 88 88 19242 1 . LYS 89 89 19242 1 . LEU 90 90 19242 1 . TYR 91 91 19242 1 . ALA 92 92 19242 1 . ALA 93 93 19242 1 . ASP 94 94 19242 1 . SER 95 95 19242 1 . ARG 96 96 19242 1 . LEU 97 97 19242 1 . VAL 98 98 19242 1 . VAL 99 99 19242 1 . ALA 100 100 19242 1 . LYS 101 101 19242 1 . ASN 102 102 19242 1 . SER 103 103 19242 1 . ASP 104 104 19242 1 . ILE 105 105 19242 1 . GLN 106 106 19242 1 . PRO 107 107 19242 1 . THR 108 108 19242 1 . VAL 109 109 19242 1 . GLU 110 110 19242 1 . SER 111 111 19242 1 . LEU 112 112 19242 1 . LYS 113 113 19242 1 . GLY 114 114 19242 1 . LYS 115 115 19242 1 . ARG 116 116 19242 1 . VAL 117 117 19242 1 . GLY 118 118 19242 1 . VAL 119 119 19242 1 . LEU 120 120 19242 1 . GLN 121 121 19242 1 . GLY 122 122 19242 1 . THR 123 123 19242 1 . THR 124 124 19242 1 . GLN 125 125 19242 1 . GLU 126 126 19242 1 . THR 127 127 19242 1 . PHE 128 128 19242 1 . GLY 129 129 19242 1 . ASN 130 130 19242 1 . GLU 131 131 19242 1 . HIS 132 132 19242 1 . TRP 133 133 19242 1 . ALA 134 134 19242 1 . PRO 135 135 19242 1 . LYS 136 136 19242 1 . GLY 137 137 19242 1 . ILE 138 138 19242 1 . GLU 139 139 19242 1 . ILE 140 140 19242 1 . VAL 141 141 19242 1 . SER 142 142 19242 1 . TYR 143 143 19242 1 . GLN 144 144 19242 1 . GLY 145 145 19242 1 . GLN 146 146 19242 1 . ASP 147 147 19242 1 . ASN 148 148 19242 1 . ILE 149 149 19242 1 . TYR 150 150 19242 1 . SER 151 151 19242 1 . ASP 152 152 19242 1 . LEU 153 153 19242 1 . THR 154 154 19242 1 . ALA 155 155 19242 1 . GLY 156 156 19242 1 . ARG 157 157 19242 1 . ILE 158 158 19242 1 . ASP 159 159 19242 1 . ALA 160 160 19242 1 . ALA 161 161 19242 1 . PHE 162 162 19242 1 . GLN 163 163 19242 1 . ASP 164 164 19242 1 . GLU 165 165 19242 1 . VAL 166 166 19242 1 . ALA 167 167 19242 1 . ALA 168 168 19242 1 . SER 169 169 19242 1 . GLU 170 170 19242 1 . GLY 171 171 19242 1 . PHE 172 172 19242 1 . LEU 173 173 19242 1 . LYS 174 174 19242 1 . GLN 175 175 19242 1 . PRO 176 176 19242 1 . VAL 177 177 19242 1 . GLY 178 178 19242 1 . LYS 179 179 19242 1 . ASP 180 180 19242 1 . TYR 181 181 19242 1 . LYS 182 182 19242 1 . PHE 183 183 19242 1 . GLY 184 184 19242 1 . GLY 185 185 19242 1 . PRO 186 186 19242 1 . SER 187 187 19242 1 . VAL 188 188 19242 1 . LYS 189 189 19242 1 . ASP 190 190 19242 1 . GLU 191 191 19242 1 . LYS 192 192 19242 1 . LEU 193 193 19242 1 . PHE 194 194 19242 1 . GLY 195 195 19242 1 . VAL 196 196 19242 1 . GLY 197 197 19242 1 . THR 198 198 19242 1 . GLY 199 199 19242 1 . MET 200 200 19242 1 . GLY 201 201 19242 1 . LEU 202 202 19242 1 . ARG 203 203 19242 1 . LYS 204 204 19242 1 . GLU 205 205 19242 1 . ASP 206 206 19242 1 . ASN 207 207 19242 1 . GLU 208 208 19242 1 . LEU 209 209 19242 1 . ARG 210 210 19242 1 . GLU 211 211 19242 1 . ALA 212 212 19242 1 . LEU 213 213 19242 1 . ASN 214 214 19242 1 . LYS 215 215 19242 1 . ALA 216 216 19242 1 . PHE 217 217 19242 1 . ALA 218 218 19242 1 . GLU 219 219 19242 1 . MET 220 220 19242 1 . ARG 221 221 19242 1 . ALA 222 222 19242 1 . ASP 223 223 19242 1 . GLY 224 224 19242 1 . THR 225 225 19242 1 . TYR 226 226 19242 1 . GLU 227 227 19242 1 . LYS 228 228 19242 1 . LEU 229 229 19242 1 . ALA 230 230 19242 1 . LYS 231 231 19242 1 . LYS 232 232 19242 1 . TYR 233 233 19242 1 . PHE 234 234 19242 1 . ASP 235 235 19242 1 . PHE 236 236 19242 1 . ASP 237 237 19242 1 . VAL 238 238 19242 1 . TYR 239 239 19242 1 . GLY 240 240 19242 1 . GLY 241 241 19242 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19242 _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 $apo-HisJ . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 19242 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 19242 _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 $apo-HisJ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-15 . . . . . . 19242 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19242 _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 apo-HisJ '[U-13C; U-15N; U-2H]' . . 1 $apo-HisJ . . 1 . . mM . . . . 19242 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19242 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19242 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19242 1 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 19242 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19242 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 apo-HisJ '[U-13C; U-15N]' . . 1 $apo-HisJ . . 1 . . mM . . . . 19242 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19242 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19242 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19242 2 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 19242 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19242 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 apo-HisJ '[U-13C; U-15N]' . . 1 $apo-HisJ . . 1 . . mM . . . . 19242 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19242 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19242 3 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 19242 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19242 _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 19242 1 pH 7 . pH 19242 1 pressure 1 . atm 19242 1 temperature 298 . K 19242 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19242 _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' . . 19242 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19242 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19242 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19242 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19242 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19242 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19242 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19242 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 19242 _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 19242 _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 Bruker Avance . 700 . . . 19242 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 19242 _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 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 19242 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 19242 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 19242 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 19242 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 19242 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 19242 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 19242 _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 _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 19242 _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 na indirect 0.251449530 . . . . . . . . . 19242 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19242 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19242 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 19242 _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 3 '3D HNCACB' . . . 19242 1 4 '3D CBCA(CO)NH' . . . 19242 1 5 '3D HNCO' . . . 19242 1 6 '2D 1H-15N HSQC' . . . 19242 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 0.005 . 1 . . . . 2 GLY C . 19242 1 2 . 1 1 2 2 GLY CA C 13 44.7100 0.010 . 1 . . . . 2 GLY CA . 19242 1 3 . 1 1 3 3 MET H H 1 8.4440 0.002 . 1 . . . . 3 MET HN . 19242 1 4 . 1 1 3 3 MET C C 13 176.0000 0.005 . 1 . . . . 3 MET C . 19242 1 5 . 1 1 3 3 MET CA C 13 55.0700 0.010 . 1 . . . . 3 MET CA . 19242 1 6 . 1 1 3 3 MET CB C 13 32.3700 0.010 . 1 . . . . 3 MET CB . 19242 1 7 . 1 1 3 3 MET N N 15 121.2000 0.017 . 1 . . . . 3 MET N . 19242 1 8 . 1 1 4 4 ALA H H 1 8.3790 0.002 . 1 . . . A 4 ALA HN . 19242 1 9 . 1 1 4 4 ALA C C 13 177.3000 0.005 . 1 . . . A 4 ALA C . 19242 1 10 . 1 1 4 4 ALA CA C 13 52.1400 0.010 . 1 . . . A 4 ALA CA . 19242 1 11 . 1 1 4 4 ALA CB C 13 18.3200 0.010 . 1 . . . A 4 ALA CB . 19242 1 12 . 1 1 4 4 ALA N N 15 125.7000 0.017 . 1 . . . A 4 ALA N . 19242 1 13 . 1 1 5 5 ILE H H 1 7.8680 0.002 . 1 . . . A 5 ILE H . 19242 1 14 . 1 1 5 5 ILE C C 13 174.3000 0.005 . 1 . . . A 5 ILE C . 19242 1 15 . 1 1 5 5 ILE CA C 13 57.7100 0.010 . 1 . . . A 5 ILE CA . 19242 1 16 . 1 1 5 5 ILE CB C 13 37.2600 0.010 . 1 . . . A 5 ILE CB . 19242 1 17 . 1 1 5 5 ILE N N 15 121.3000 0.017 . 1 . . . A 5 ILE N . 19242 1 18 . 1 1 6 6 PRO C C 13 176.1000 0.005 . 1 . . . A 6 PRO C . 19242 1 19 . 1 1 6 6 PRO CA C 13 62.1800 0.010 . 1 . . . A 6 PRO CA . 19242 1 20 . 1 1 6 6 PRO CB C 13 31.6200 0.010 . 1 . . . A 6 PRO CB . 19242 1 21 . 1 1 7 7 GLN H H 1 8.3800 0.002 . 1 . . . A 7 GLN H . 19242 1 22 . 1 1 7 7 GLN C C 13 175.6000 0.005 . 1 . . . A 7 GLN C . 19242 1 23 . 1 1 7 7 GLN CA C 13 57.1900 0.010 . 1 . . . A 7 GLN CA . 19242 1 24 . 1 1 7 7 GLN CB C 13 28.5000 0.010 . 1 . . . A 7 GLN CB . 19242 1 25 . 1 1 7 7 GLN N N 15 119.2000 0.017 . 1 . . . A 7 GLN N . 19242 1 26 . 1 1 8 8 ASN H H 1 7.4720 0.002 . 1 . . . A 8 ASN H . 19242 1 27 . 1 1 8 8 ASN C C 13 173.6000 0.005 . 1 . . . A 8 ASN C . 19242 1 28 . 1 1 8 8 ASN CA C 13 51.7200 0.010 . 1 . . . A 8 ASN CA . 19242 1 29 . 1 1 8 8 ASN CB C 13 40.5400 0.010 . 1 . . . A 8 ASN CB . 19242 1 30 . 1 1 8 8 ASN N N 15 116.3000 0.017 . 1 . . . A 8 ASN N . 19242 1 31 . 1 1 9 9 ILE H H 1 8.4160 0.002 . 1 . . . A 9 ILE H . 19242 1 32 . 1 1 9 9 ILE C C 13 174.7000 0.005 . 1 . . . A 9 ILE C . 19242 1 33 . 1 1 9 9 ILE CA C 13 59.4800 0.010 . 1 . . . A 9 ILE CA . 19242 1 34 . 1 1 9 9 ILE CB C 13 39.7400 0.010 . 1 . . . A 9 ILE CB . 19242 1 35 . 1 1 9 9 ILE N N 15 121.0000 0.017 . 1 . . . A 9 ILE N . 19242 1 36 . 1 1 10 10 ARG H H 1 9.0980 0.002 . 1 . . . A 10 ARG H . 19242 1 37 . 1 1 10 10 ARG C C 13 175.8000 0.005 . 1 . . . A 10 ARG C . 19242 1 38 . 1 1 10 10 ARG CA C 13 53.9500 0.010 . 1 . . . A 10 ARG CA . 19242 1 39 . 1 1 10 10 ARG CB C 13 30.6700 0.010 . 1 . . . A 10 ARG CB . 19242 1 40 . 1 1 10 10 ARG N N 15 126.5000 0.017 . 1 . . . A 10 ARG N . 19242 1 41 . 1 1 11 11 ILE H H 1 9.2790 0.002 . 1 . . . A 11 ILE H . 19242 1 42 . 1 1 11 11 ILE C C 13 175.6000 0.005 . 1 . . . A 11 ILE C . 19242 1 43 . 1 1 11 11 ILE CA C 13 59.4800 0.010 . 1 . . . A 11 ILE CA . 19242 1 44 . 1 1 11 11 ILE CB C 13 37.4600 0.010 . 1 . . . A 11 ILE CB . 19242 1 45 . 1 1 11 11 ILE N N 15 127.5000 0.017 . 1 . . . A 11 ILE N . 19242 1 46 . 1 1 12 12 GLY H H 1 9.3820 0.002 . 1 . . . A 12 GLY H . 19242 1 47 . 1 1 12 12 GLY C C 13 171.7000 0.005 . 1 . . . A 12 GLY C . 19242 1 48 . 1 1 12 12 GLY CA C 13 44.5400 0.010 . 1 . . . A 12 GLY CA . 19242 1 49 . 1 1 12 12 GLY N N 15 114.8000 0.017 . 1 . . . A 12 GLY N . 19242 1 50 . 1 1 13 13 THR H H 1 8.5940 0.002 . 1 . . . A 13 THR H . 19242 1 51 . 1 1 13 13 THR C C 13 181.6000 0.005 . 1 . . . A 13 THR C . 19242 1 52 . 1 1 13 13 THR CA C 13 61.4700 0.010 . 1 . . . A 13 THR CA . 19242 1 53 . 1 1 13 13 THR CB C 13 69.9700 0.010 . 1 . . . A 13 THR CB . 19242 1 54 . 1 1 13 13 THR N N 15 120.6000 0.017 . 1 . . . A 13 THR N . 19242 1 55 . 1 1 14 14 ASP H H 1 8.2000 0.002 . 1 . . . A 14 ASP H . 19242 1 56 . 1 1 14 14 ASP C C 13 177.5000 0.005 . 1 . . . A 14 ASP C . 19242 1 57 . 1 1 14 14 ASP CA C 13 49.7600 0.010 . 1 . . . A 14 ASP CA . 19242 1 58 . 1 1 14 14 ASP CB C 13 40.5800 0.010 . 1 . . . A 14 ASP CB . 19242 1 59 . 1 1 14 14 ASP N N 15 127.0000 0.017 . 1 . . . A 14 ASP N . 19242 1 60 . 1 1 15 15 PRO C C 13 175.4000 0.005 . 1 . . . A 15 PRO C . 19242 1 61 . 1 1 15 15 PRO CA C 13 61.9200 0.010 . 1 . . . A 15 PRO CA . 19242 1 62 . 1 1 15 15 PRO CB C 13 27.8900 0.010 . 1 . . . A 15 PRO CB . 19242 1 63 . 1 1 16 16 THR H H 1 8.7390 0.002 . 1 . . . A 16 THR H . 19242 1 64 . 1 1 16 16 THR C C 13 174.0000 0.005 . 1 . . . A 16 THR C . 19242 1 65 . 1 1 16 16 THR CA C 13 59.5600 0.010 . 1 . . . A 16 THR CA . 19242 1 66 . 1 1 16 16 THR CB C 13 68.6500 0.010 . 1 . . . A 16 THR CB . 19242 1 67 . 1 1 16 16 THR N N 15 116.2000 0.017 . 1 . . . A 16 THR N . 19242 1 68 . 1 1 17 17 TYR H H 1 8.9430 0.002 . 1 . . . A 17 TYR H . 19242 1 69 . 1 1 17 17 TYR C C 13 175.2000 0.005 . 1 . . . A 17 TYR C . 19242 1 70 . 1 1 17 17 TYR CA C 13 54.1800 0.010 . 1 . . . A 17 TYR CA . 19242 1 71 . 1 1 17 17 TYR CB C 13 38.7000 0.010 . 1 . . . A 17 TYR CB . 19242 1 72 . 1 1 17 17 TYR N N 15 125.8000 0.017 . 1 . . . A 17 TYR N . 19242 1 73 . 1 1 18 18 ALA H H 1 8.9450 0.002 . 1 . . . A 18 ALA H . 19242 1 74 . 1 1 18 18 ALA C C 13 176.0000 0.005 . 1 . . . A 18 ALA C . 19242 1 75 . 1 1 18 18 ALA CA C 13 51.4900 0.010 . 1 . . . A 18 ALA CA . 19242 1 76 . 1 1 18 18 ALA CB C 13 16.0700 0.010 . 1 . . . A 18 ALA CB . 19242 1 77 . 1 1 18 18 ALA N N 15 132.1000 0.017 . 1 . . . A 18 ALA N . 19242 1 78 . 1 1 19 19 PRO C C 13 173.5000 0.005 . 1 . . . A 19 PRO C . 19242 1 79 . 1 1 19 19 PRO CA C 13 62.8900 0.010 . 1 . . . A 19 PRO CA . 19242 1 80 . 1 1 19 19 PRO CB C 13 31.7900 0.010 . 1 . . . A 19 PRO CB . 19242 1 81 . 1 1 20 20 PHE H H 1 8.1170 0.002 . 1 . . . A 20 PHE H . 19242 1 82 . 1 1 20 20 PHE C C 13 176.7000 0.005 . 1 . . . A 20 PHE C . 19242 1 83 . 1 1 20 20 PHE CA C 13 62.4200 0.010 . 1 . . . A 20 PHE CA . 19242 1 84 . 1 1 20 20 PHE CB C 13 37.9800 0.010 . 1 . . . A 20 PHE CB . 19242 1 85 . 1 1 20 20 PHE N N 15 125.1000 0.017 . 1 . . . A 20 PHE N . 19242 1 86 . 1 1 21 21 GLU H H 1 7.7010 0.002 . 1 . . . A 21 GLU H . 19242 1 87 . 1 1 21 21 GLU C C 13 173.6000 0.005 . 1 . . . A 21 GLU C . 19242 1 88 . 1 1 21 21 GLU CA C 13 54.4000 0.010 . 1 . . . A 21 GLU CA . 19242 1 89 . 1 1 21 21 GLU CB C 13 28.7700 0.010 . 1 . . . A 21 GLU CB . 19242 1 90 . 1 1 21 21 GLU N N 15 111.8000 0.017 . 1 . . . A 21 GLU N . 19242 1 91 . 1 1 22 22 SER H H 1 8.7500 0.002 . 1 . . . A 22 SER H . 19242 1 92 . 1 1 22 22 SER C C 13 171.5000 0.005 . 1 . . . A 22 SER C . 19242 1 93 . 1 1 22 22 SER CA C 13 57.2900 0.010 . 1 . . . A 22 SER CA . 19242 1 94 . 1 1 22 22 SER CB C 13 62.9400 0.010 . 1 . . . A 22 SER CB . 19242 1 95 . 1 1 22 22 SER N N 15 117.2000 0.017 . 1 . . . A 22 SER N . 19242 1 96 . 1 1 23 23 LYS H H 1 8.2380 0.002 . 1 . . . A 23 LYS H . 19242 1 97 . 1 1 23 23 LYS C C 13 177.6000 0.005 . 1 . . . A 23 LYS C . 19242 1 98 . 1 1 23 23 LYS CA C 13 53.7000 0.010 . 1 . . . A 23 LYS CA . 19242 1 99 . 1 1 23 23 LYS CB C 13 33.3300 0.010 . 1 . . . A 23 LYS CB . 19242 1 100 . 1 1 23 23 LYS N N 15 117.4000 0.017 . 1 . . . A 23 LYS N . 19242 1 101 . 1 1 24 24 ASN H H 1 8.5840 0.002 . 1 . . . A 24 ASN H . 19242 1 102 . 1 1 24 24 ASN C C 13 178.0000 0.005 . 1 . . . A 24 ASN C . 19242 1 103 . 1 1 24 24 ASN CA C 13 50.6000 0.010 . 1 . . . A 24 ASN CA . 19242 1 104 . 1 1 24 24 ASN CB C 13 38.1400 0.010 . 1 . . . A 24 ASN CB . 19242 1 105 . 1 1 24 24 ASN N N 15 122.4000 0.017 . 1 . . . A 24 ASN N . 19242 1 106 . 1 1 25 25 SER C C 13 175.4000 0.005 . 1 . . . A 25 SER C . 19242 1 107 . 1 1 25 25 SER CA C 13 60.9700 0.010 . 1 . . . A 25 SER CA . 19242 1 108 . 1 1 25 25 SER CB C 13 62.4100 0.010 . 1 . . . A 25 SER CB . 19242 1 109 . 1 1 26 26 GLN H H 1 7.5200 0.002 . 1 . . . A 26 GLN H . 19242 1 110 . 1 1 26 26 GLN C C 13 176.2000 0.005 . 1 . . . A 26 GLN C . 19242 1 111 . 1 1 26 26 GLN CA C 13 55.1800 0.010 . 1 . . . A 26 GLN CA . 19242 1 112 . 1 1 26 26 GLN CB C 13 28.2600 0.010 . 1 . . . A 26 GLN CB . 19242 1 113 . 1 1 26 26 GLN N N 15 119.3000 0.017 . 1 . . . A 26 GLN N . 19242 1 114 . 1 1 27 27 GLY H H 1 8.1690 0.002 . 1 . . . A 27 GLY H . 19242 1 115 . 1 1 27 27 GLY C C 13 173.7000 0.005 . 1 . . . A 27 GLY C . 19242 1 116 . 1 1 27 27 GLY CA C 13 45.0500 0.010 . 1 . . . A 27 GLY CA . 19242 1 117 . 1 1 27 27 GLY N N 15 108.8000 0.017 . 1 . . . A 27 GLY N . 19242 1 118 . 1 1 28 28 GLU H H 1 7.8360 0.002 . 1 . . . A 28 GLU H . 19242 1 119 . 1 1 28 28 GLU C C 13 175.8000 0.005 . 1 . . . A 28 GLU C . 19242 1 120 . 1 1 28 28 GLU CA C 13 54.4900 0.010 . 1 . . . A 28 GLU CA . 19242 1 121 . 1 1 28 28 GLU CB C 13 29.7500 0.010 . 1 . . . A 28 GLU CB . 19242 1 122 . 1 1 28 28 GLU N N 15 121.2000 0.017 . 1 . . . A 28 GLU N . 19242 1 123 . 1 1 29 29 LEU H H 1 8.2810 0.002 . 1 . . . A 29 LEU H . 19242 1 124 . 1 1 29 29 LEU C C 13 176.4000 0.005 . 1 . . . A 29 LEU C . 19242 1 125 . 1 1 29 29 LEU CA C 13 54.3100 0.010 . 1 . . . A 29 LEU CA . 19242 1 126 . 1 1 29 29 LEU CB C 13 41.1800 0.010 . 1 . . . A 29 LEU CB . 19242 1 127 . 1 1 29 29 LEU N N 15 123.5000 0.017 . 1 . . . A 29 LEU N . 19242 1 128 . 1 1 30 30 VAL H H 1 8.9000 0.002 . 1 . . . A 30 VAL H . 19242 1 129 . 1 1 30 30 VAL C C 13 175.3000 0.005 . 1 . . . A 30 VAL C . 19242 1 130 . 1 1 30 30 VAL CA C 13 58.3600 0.010 . 1 . . . A 30 VAL CA . 19242 1 131 . 1 1 30 30 VAL CB C 13 36.0800 0.010 . 1 . . . A 30 VAL CB . 19242 1 132 . 1 1 30 30 VAL N N 15 118.2000 0.017 . 1 . . . A 30 VAL N . 19242 1 133 . 1 1 31 31 GLY H H 1 8.6110 0.002 . 1 . . . A 31 GLY H . 19242 1 134 . 1 1 31 31 GLY C C 13 174.4000 0.005 . 1 . . . A 31 GLY C . 19242 1 135 . 1 1 31 31 GLY CA C 13 43.8300 0.010 . 1 . . . A 31 GLY CA . 19242 1 136 . 1 1 31 31 GLY N N 15 109.8000 0.017 . 1 . . . A 31 GLY N . 19242 1 137 . 1 1 32 32 PHE H H 1 8.2950 0.002 . 1 . . . A 32 PHE H . 19242 1 138 . 1 1 32 32 PHE C C 13 177.9000 0.005 . 1 . . . A 32 PHE C . 19242 1 139 . 1 1 32 32 PHE CA C 13 59.8000 0.010 . 1 . . . A 32 PHE CA . 19242 1 140 . 1 1 32 32 PHE CB C 13 38.9500 0.010 . 1 . . . A 32 PHE CB . 19242 1 141 . 1 1 32 32 PHE N N 15 119.9000 0.017 . 1 . . . A 32 PHE N . 19242 1 142 . 1 1 33 33 ASP H H 1 8.9350 0.002 . 1 . . . A 33 ASP H . 19242 1 143 . 1 1 33 33 ASP C C 13 179.1000 0.005 . 1 . . . A 33 ASP C . 19242 1 144 . 1 1 33 33 ASP CA C 13 56.1800 0.010 . 1 . . . A 33 ASP CA . 19242 1 145 . 1 1 33 33 ASP CB C 13 38.6100 0.010 . 1 . . . A 33 ASP CB . 19242 1 146 . 1 1 33 33 ASP N N 15 116.5000 0.017 . 1 . . . A 33 ASP N . 19242 1 147 . 1 1 34 34 ILE H H 1 6.5350 0.002 . 1 . . . A 34 ILE H . 19242 1 148 . 1 1 34 34 ILE C C 13 178.0000 0.005 . 1 . . . A 34 ILE C . 19242 1 149 . 1 1 34 34 ILE CA C 13 60.9500 0.010 . 1 . . . A 34 ILE CA . 19242 1 150 . 1 1 34 34 ILE CB C 13 33.6200 0.010 . 1 . . . A 34 ILE CB . 19242 1 151 . 1 1 34 34 ILE N N 15 118.8000 0.017 . 1 . . . A 34 ILE N . 19242 1 152 . 1 1 35 35 ASP H H 1 8.5360 0.002 . 1 . . . A 35 ASP H . 19242 1 153 . 1 1 35 35 ASP C C 13 180.3000 0.005 . 1 . . . A 35 ASP C . 19242 1 154 . 1 1 35 35 ASP CA C 13 57.1000 0.010 . 1 . . . A 35 ASP CA . 19242 1 155 . 1 1 35 35 ASP CB C 13 40.4200 0.010 . 1 . . . A 35 ASP CB . 19242 1 156 . 1 1 35 35 ASP N N 15 121.0000 0.017 . 1 . . . A 35 ASP N . 19242 1 157 . 1 1 36 36 LEU H H 1 8.5080 0.002 . 1 . . . A 36 LEU H . 19242 1 158 . 1 1 36 36 LEU C C 13 178.5000 0.005 . 1 . . . A 36 LEU C . 19242 1 159 . 1 1 36 36 LEU CA C 13 57.7200 0.010 . 1 . . . A 36 LEU CA . 19242 1 160 . 1 1 36 36 LEU CB C 13 42.2300 0.010 . 1 . . . A 36 LEU CB . 19242 1 161 . 1 1 36 36 LEU N N 15 120.5000 0.017 . 1 . . . A 36 LEU N . 19242 1 162 . 1 1 37 37 ALA H H 1 8.3830 0.002 . 1 . . . A 37 ALA H . 19242 1 163 . 1 1 37 37 ALA C C 13 178.6000 0.005 . 1 . . . A 37 ALA C . 19242 1 164 . 1 1 37 37 ALA CA C 13 55.1700 0.010 . 1 . . . A 37 ALA CA . 19242 1 165 . 1 1 37 37 ALA CB C 13 17.3400 0.010 . 1 . . . A 37 ALA CB . 19242 1 166 . 1 1 37 37 ALA N N 15 120.2000 0.017 . 1 . . . A 37 ALA N . 19242 1 167 . 1 1 38 38 LYS H H 1 8.7800 0.002 . 1 . . . A 38 LYS H . 19242 1 168 . 1 1 38 38 LYS C C 13 180.1000 0.005 . 1 . . . A 38 LYS C . 19242 1 169 . 1 1 38 38 LYS CA C 13 60.5300 0.010 . 1 . . . A 38 LYS CA . 19242 1 170 . 1 1 38 38 LYS CB C 13 31.8400 0.010 . 1 . . . A 38 LYS CB . 19242 1 171 . 1 1 38 38 LYS N N 15 116.4000 0.017 . 1 . . . A 38 LYS N . 19242 1 172 . 1 1 39 39 GLU H H 1 7.6920 0.002 . 1 . . . A 39 GLU H . 19242 1 173 . 1 1 39 39 GLU C C 13 178.3000 0.005 . 1 . . . A 39 GLU C . 19242 1 174 . 1 1 39 39 GLU CA C 13 58.4300 0.010 . 1 . . . A 39 GLU CA . 19242 1 175 . 1 1 39 39 GLU CB C 13 27.9900 0.010 . 1 . . . A 39 GLU CB . 19242 1 176 . 1 1 39 39 GLU N N 15 121.5000 0.017 . 1 . . . A 39 GLU N . 19242 1 177 . 1 1 40 40 LEU H H 1 8.5630 0.002 . 1 . . . A 40 LEU H . 19242 1 178 . 1 1 40 40 LEU C C 13 178.7000 0.005 . 1 . . . A 40 LEU C . 19242 1 179 . 1 1 40 40 LEU CA C 13 58.4900 0.010 . 1 . . . A 40 LEU CA . 19242 1 180 . 1 1 40 40 LEU CB C 13 40.2500 0.010 . 1 . . . A 40 LEU CB . 19242 1 181 . 1 1 40 40 LEU N N 15 121.5000 0.017 . 1 . . . A 40 LEU N . 19242 1 182 . 1 1 41 41 CYS H H 1 8.5980 0.002 . 1 . . . A 41 CYS H . 19242 1 183 . 1 1 41 41 CYS C C 13 175.8000 0.005 . 1 . . . A 41 CYS C . 19242 1 184 . 1 1 41 41 CYS CA C 13 62.3900 0.010 . 1 . . . A 41 CYS CA . 19242 1 185 . 1 1 41 41 CYS CB C 13 46.8600 0.010 . 1 . . . A 41 CYS CB . 19242 1 186 . 1 1 41 41 CYS N N 15 115.7000 0.017 . 1 . . . A 41 CYS N . 19242 1 187 . 1 1 42 42 LYS H H 1 7.4900 0.002 . 1 . . . A 42 LYS H . 19242 1 188 . 1 1 42 42 LYS C C 13 180.8000 0.005 . 1 . . . A 42 LYS C . 19242 1 189 . 1 1 42 42 LYS CA C 13 58.8100 0.010 . 1 . . . A 42 LYS CA . 19242 1 190 . 1 1 42 42 LYS CB C 13 31.4300 0.010 . 1 . . . A 42 LYS CB . 19242 1 191 . 1 1 42 42 LYS N N 15 119.3000 0.017 . 1 . . . A 42 LYS N . 19242 1 192 . 1 1 43 43 ARG H H 1 8.0570 0.002 . 1 . . . A 43 ARG H . 19242 1 193 . 1 1 43 43 ARG C C 13 178.7000 0.005 . 1 . . . A 43 ARG C . 19242 1 194 . 1 1 43 43 ARG CA C 13 58.7600 0.010 . 1 . . . A 43 ARG CA . 19242 1 195 . 1 1 43 43 ARG CB C 13 29.9800 0.010 . 1 . . . A 43 ARG CB . 19242 1 196 . 1 1 43 43 ARG N N 15 119.5000 0.017 . 1 . . . A 43 ARG N . 19242 1 197 . 1 1 44 44 ILE H H 1 7.7650 0.002 . 1 . . . A 44 ILE H . 19242 1 198 . 1 1 44 44 ILE C C 13 175.0000 0.005 . 1 . . . A 44 ILE C . 19242 1 199 . 1 1 44 44 ILE CA C 13 60.9400 0.010 . 1 . . . A 44 ILE CA . 19242 1 200 . 1 1 44 44 ILE CB C 13 36.6300 0.010 . 1 . . . A 44 ILE CB . 19242 1 201 . 1 1 44 44 ILE N N 15 111.8000 0.017 . 1 . . . A 44 ILE N . 19242 1 202 . 1 1 45 45 ASN H H 1 7.7520 0.002 . 1 . . . A 45 ASN H . 19242 1 203 . 1 1 45 45 ASN C C 13 173.6000 0.005 . 1 . . . A 45 ASN C . 19242 1 204 . 1 1 45 45 ASN CA C 13 53.6700 0.010 . 1 . . . A 45 ASN CA . 19242 1 205 . 1 1 45 45 ASN CB C 13 36.6200 0.010 . 1 . . . A 45 ASN CB . 19242 1 206 . 1 1 45 45 ASN N N 15 118.8000 0.017 . 1 . . . A 45 ASN N . 19242 1 207 . 1 1 46 46 THR H H 1 7.9200 0.002 . 1 . . . A 46 THR H . 19242 1 208 . 1 1 46 46 THR C C 13 173.1000 0.005 . 1 . . . A 46 THR C . 19242 1 209 . 1 1 46 46 THR CA C 13 60.0200 0.010 . 1 . . . A 46 THR CA . 19242 1 210 . 1 1 46 46 THR CB C 13 70.5000 0.010 . 1 . . . A 46 THR CB . 19242 1 211 . 1 1 46 46 THR N N 15 112.8000 0.017 . 1 . . . A 46 THR N . 19242 1 212 . 1 1 47 47 GLN H H 1 8.0370 0.002 . 1 . . . A 47 GLN H . 19242 1 213 . 1 1 47 47 GLN C C 13 175.4000 0.005 . 1 . . . A 47 GLN C . 19242 1 214 . 1 1 47 47 GLN CA C 13 54.5500 0.010 . 1 . . . A 47 GLN CA . 19242 1 215 . 1 1 47 47 GLN CB C 13 28.6700 0.010 . 1 . . . A 47 GLN CB . 19242 1 216 . 1 1 47 47 GLN N N 15 123.5000 0.017 . 1 . . . A 47 GLN N . 19242 1 217 . 1 1 48 48 CYS H H 1 8.8810 0.002 . 1 . . . A 48 CYS H . 19242 1 218 . 1 1 48 48 CYS C C 13 173.8000 0.005 . 1 . . . A 48 CYS C . 19242 1 219 . 1 1 48 48 CYS CA C 13 53.1700 0.010 . 1 . . . A 48 CYS CA . 19242 1 220 . 1 1 48 48 CYS CB C 13 47.2900 0.010 . 1 . . . A 48 CYS CB . 19242 1 221 . 1 1 48 48 CYS N N 15 123.8000 0.017 . 1 . . . A 48 CYS N . 19242 1 222 . 1 1 49 49 THR H H 1 8.3240 0.002 . 1 . . . A 49 THR H . 19242 1 223 . 1 1 49 49 THR C C 13 172.7000 0.005 . 1 . . . A 49 THR C . 19242 1 224 . 1 1 49 49 THR CA C 13 60.2100 0.010 . 1 . . . A 49 THR CA . 19242 1 225 . 1 1 49 49 THR CB C 13 70.9800 0.010 . 1 . . . A 49 THR CB . 19242 1 226 . 1 1 49 49 THR N N 15 118.6000 0.017 . 1 . . . A 49 THR N . 19242 1 227 . 1 1 50 50 PHE H H 1 8.9820 0.002 . 1 . . . A 50 PHE H . 19242 1 228 . 1 1 50 50 PHE C C 13 175.8000 0.005 . 1 . . . A 50 PHE C . 19242 1 229 . 1 1 50 50 PHE CA C 13 57.3700 0.010 . 1 . . . A 50 PHE CA . 19242 1 230 . 1 1 50 50 PHE CB C 13 40.7300 0.010 . 1 . . . A 50 PHE CB . 19242 1 231 . 1 1 50 50 PHE N N 15 123.8000 0.017 . 1 . . . A 50 PHE N . 19242 1 232 . 1 1 51 51 VAL H H 1 9.2710 0.002 . 1 . . . A 51 VAL H . 19242 1 233 . 1 1 51 51 VAL C C 13 174.7000 0.005 . 1 . . . A 51 VAL C . 19242 1 234 . 1 1 51 51 VAL CA C 13 60.6500 0.010 . 1 . . . A 51 VAL CA . 19242 1 235 . 1 1 51 51 VAL CB C 13 33.7000 0.010 . 1 . . . A 51 VAL CB . 19242 1 236 . 1 1 51 51 VAL N N 15 126.3000 0.017 . 1 . . . A 51 VAL N . 19242 1 237 . 1 1 52 52 GLU H H 1 8.6170 0.002 . 1 . . . A 52 GLU H . 19242 1 238 . 1 1 52 52 GLU C C 13 176.9000 0.005 . 1 . . . A 52 GLU C . 19242 1 239 . 1 1 52 52 GLU CA C 13 54.4800 0.010 . 1 . . . A 52 GLU CA . 19242 1 240 . 1 1 52 52 GLU CB C 13 29.3500 0.010 . 1 . . . A 52 GLU CB . 19242 1 241 . 1 1 52 52 GLU N N 15 126.9000 0.017 . 1 . . . A 52 GLU N . 19242 1 242 . 1 1 53 53 ASN H H 1 8.9170 0.002 . 1 . . . A 53 ASN H . 19242 1 243 . 1 1 53 53 ASN C C 13 170.6000 0.005 . 1 . . . A 53 ASN C . 19242 1 244 . 1 1 53 53 ASN CA C 13 51.2200 0.010 . 1 . . . A 53 ASN CA . 19242 1 245 . 1 1 53 53 ASN CB C 13 43.9800 0.010 . 1 . . . A 53 ASN CB . 19242 1 246 . 1 1 53 53 ASN N N 15 127.1000 0.017 . 1 . . . A 53 ASN N . 19242 1 247 . 1 1 54 54 PRO C C 13 178.6000 0.005 . 1 . . . A 54 PRO C . 19242 1 248 . 1 1 54 54 PRO CA C 13 61.6500 0.010 . 1 . . . A 54 PRO CA . 19242 1 249 . 1 1 54 54 PRO CB C 13 31.4600 0.010 . 1 . . . A 54 PRO CB . 19242 1 250 . 1 1 55 55 LEU H H 1 9.0960 0.002 . 1 . . . A 55 LEU H . 19242 1 251 . 1 1 55 55 LEU C C 13 179.6000 0.005 . 1 . . . A 55 LEU C . 19242 1 252 . 1 1 55 55 LEU CA C 13 58.1300 0.010 . 1 . . . A 55 LEU CA . 19242 1 253 . 1 1 55 55 LEU CB C 13 41.4700 0.010 . 1 . . . A 55 LEU CB . 19242 1 254 . 1 1 55 55 LEU N N 15 124.2000 0.017 . 1 . . . A 55 LEU N . 19242 1 255 . 1 1 56 56 ASP H H 1 8.6510 0.002 . 1 . . . A 56 ASP H . 19242 1 256 . 1 1 56 56 ASP C C 13 176.5000 0.005 . 1 . . . A 56 ASP C . 19242 1 257 . 1 1 56 56 ASP CA C 13 56.0800 0.010 . 1 . . . A 56 ASP CA . 19242 1 258 . 1 1 56 56 ASP CB C 13 39.6400 0.010 . 1 . . . A 56 ASP CB . 19242 1 259 . 1 1 56 56 ASP N N 15 115.4000 0.017 . 1 . . . A 56 ASP N . 19242 1 260 . 1 1 57 57 ALA H H 1 8.0790 0.002 . 1 . . . A 57 ALA H . 19242 1 261 . 1 1 57 57 ALA C C 13 180.0000 0.005 . 1 . . . A 57 ALA C . 19242 1 262 . 1 1 57 57 ALA CA C 13 51.4400 0.010 . 1 . . . A 57 ALA CA . 19242 1 263 . 1 1 57 57 ALA CB C 13 19.1700 0.010 . 1 . . . A 57 ALA CB . 19242 1 264 . 1 1 57 57 ALA N N 15 120.4000 0.017 . 1 . . . A 57 ALA N . 19242 1 265 . 1 1 58 58 LEU H H 1 7.7830 0.002 . 1 . . . A 58 LEU H . 19242 1 266 . 1 1 58 58 LEU C C 13 177.8000 0.005 . 1 . . . A 58 LEU C . 19242 1 267 . 1 1 58 58 LEU CA C 13 58.9600 0.010 . 1 . . . A 58 LEU CA . 19242 1 268 . 1 1 58 58 LEU CB C 13 40.1500 0.010 . 1 . . . A 58 LEU CB . 19242 1 269 . 1 1 58 58 LEU N N 15 122.3000 0.017 . 1 . . . A 58 LEU N . 19242 1 270 . 1 1 59 59 ILE H H 1 9.0940 0.002 . 1 . . . A 59 ILE H . 19242 1 271 . 1 1 59 59 ILE C C 13 176.4000 0.005 . 1 . . . A 59 ILE C . 19242 1 272 . 1 1 59 59 ILE CA C 13 68.1700 0.010 . 1 . . . A 59 ILE CA . 19242 1 273 . 1 1 59 59 ILE CB C 13 33.9800 0.010 . 1 . . . A 59 ILE CB . 19242 1 274 . 1 1 59 59 ILE N N 15 119.6000 0.017 . 1 . . . A 59 ILE N . 19242 1 275 . 1 1 60 60 PRO C C 13 180.1000 0.005 . 1 . . . A 60 PRO C . 19242 1 276 . 1 1 60 60 PRO CA C 13 65.8900 0.010 . 1 . . . A 60 PRO CA . 19242 1 277 . 1 1 60 60 PRO CB C 13 29.9800 0.010 . 1 . . . A 60 PRO CB . 19242 1 278 . 1 1 61 61 SER H H 1 7.8650 0.002 . 1 . . . A 61 SER H . 19242 1 279 . 1 1 61 61 SER C C 13 175.5000 0.005 . 1 . . . A 61 SER C . 19242 1 280 . 1 1 61 61 SER CA C 13 62.1700 0.010 . 1 . . . A 61 SER CA . 19242 1 281 . 1 1 61 61 SER N N 15 114.8000 0.017 . 1 . . . A 61 SER N . 19242 1 282 . 1 1 62 62 LEU H H 1 8.2960 0.002 . 1 . . . A 62 LEU H . 19242 1 283 . 1 1 62 62 LEU C C 13 181.0000 0.005 . 1 . . . A 62 LEU C . 19242 1 284 . 1 1 62 62 LEU CA C 13 57.4000 0.010 . 1 . . . A 62 LEU CA . 19242 1 285 . 1 1 62 62 LEU CB C 13 41.8200 0.010 . 1 . . . A 62 LEU CB . 19242 1 286 . 1 1 62 62 LEU N N 15 126.2000 0.017 . 1 . . . A 62 LEU N . 19242 1 287 . 1 1 63 63 LYS H H 1 8.4610 0.002 . 1 . . . A 63 LYS H . 19242 1 288 . 1 1 63 63 LYS C C 13 178.0000 0.005 . 1 . . . A 63 LYS C . 19242 1 289 . 1 1 63 63 LYS CA C 13 59.5000 0.010 . 1 . . . A 63 LYS CA . 19242 1 290 . 1 1 63 63 LYS CB C 13 30.7700 0.010 . 1 . . . A 63 LYS CB . 19242 1 291 . 1 1 63 63 LYS N N 15 121.0000 0.017 . 1 . . . A 63 LYS N . 19242 1 292 . 1 1 64 64 ALA H H 1 7.6860 0.002 . 1 . . . A 64 ALA H . 19242 1 293 . 1 1 64 64 ALA C C 13 176.2000 0.005 . 1 . . . A 64 ALA C . 19242 1 294 . 1 1 64 64 ALA CA C 13 51.6800 0.010 . 1 . . . A 64 ALA CA . 19242 1 295 . 1 1 64 64 ALA CB C 13 18.1400 0.010 . 1 . . . A 64 ALA CB . 19242 1 296 . 1 1 64 64 ALA N N 15 118.7000 0.017 . 1 . . . A 64 ALA N . 19242 1 297 . 1 1 65 65 LYS H H 1 7.7510 0.002 . 1 . . . A 65 LYS H . 19242 1 298 . 1 1 65 65 LYS C C 13 176.0000 0.005 . 1 . . . A 65 LYS C . 19242 1 299 . 1 1 65 65 LYS CA C 13 57.8000 0.010 . 1 . . . A 65 LYS CA . 19242 1 300 . 1 1 65 65 LYS CB C 13 27.7300 0.010 . 1 . . . A 65 LYS CB . 19242 1 301 . 1 1 65 65 LYS N N 15 112.2000 0.017 . 1 . . . A 65 LYS N . 19242 1 302 . 1 1 66 66 LYS H H 1 8.4150 0.002 . 1 . . . A 66 LYS H . 19242 1 303 . 1 1 66 66 LYS C C 13 176.6000 0.005 . 1 . . . A 66 LYS C . 19242 1 304 . 1 1 66 66 LYS CA C 13 57.2000 0.010 . 1 . . . A 66 LYS CA . 19242 1 305 . 1 1 66 66 LYS CB C 13 32.1700 0.010 . 1 . . . A 66 LYS CB . 19242 1 306 . 1 1 66 66 LYS N N 15 118.3000 0.017 . 1 . . . A 66 LYS N . 19242 1 307 . 1 1 67 67 ILE H H 1 7.0340 0.002 . 1 . . . A 67 ILE H . 19242 1 308 . 1 1 67 67 ILE C C 13 174.0000 0.005 . 1 . . . A 67 ILE C . 19242 1 309 . 1 1 67 67 ILE CA C 13 59.0500 0.010 . 1 . . . A 67 ILE CA . 19242 1 310 . 1 1 67 67 ILE CB C 13 40.4700 0.010 . 1 . . . A 67 ILE CB . 19242 1 311 . 1 1 67 67 ILE N N 15 107.5000 0.017 . 1 . . . A 67 ILE N . 19242 1 312 . 1 1 68 68 ASP H H 1 9.7390 0.002 . 1 . . . A 68 ASP H . 19242 1 313 . 1 1 68 68 ASP C C 13 172.2000 0.005 . 1 . . . A 68 ASP C . 19242 1 314 . 1 1 68 68 ASP CA C 13 55.5600 0.010 . 1 . . . A 68 ASP CA . 19242 1 315 . 1 1 68 68 ASP CB C 13 44.2100 0.010 . 1 . . . A 68 ASP CB . 19242 1 316 . 1 1 68 68 ASP N N 15 119.0000 0.017 . 1 . . . A 68 ASP N . 19242 1 317 . 1 1 69 69 ALA H H 1 7.6600 0.002 . 1 . . . A 69 ALA H . 19242 1 318 . 1 1 69 69 ALA C C 13 175.9000 0.005 . 1 . . . A 69 ALA C . 19242 1 319 . 1 1 69 69 ALA CA C 13 50.1200 0.010 . 1 . . . A 69 ALA CA . 19242 1 320 . 1 1 69 69 ALA CB C 13 21.9600 0.010 . 1 . . . A 69 ALA CB . 19242 1 321 . 1 1 69 69 ALA N N 15 117.4000 0.017 . 1 . . . A 69 ALA N . 19242 1 322 . 1 1 70 70 ILE H H 1 9.4020 0.002 . 1 . . . A 70 ILE H . 19242 1 323 . 1 1 70 70 ILE C C 13 174.5000 0.005 . 1 . . . A 70 ILE C . 19242 1 324 . 1 1 70 70 ILE CA C 13 60.0600 0.010 . 1 . . . A 70 ILE CA . 19242 1 325 . 1 1 70 70 ILE CB C 13 41.1900 0.010 . 1 . . . A 70 ILE CB . 19242 1 326 . 1 1 70 70 ILE N N 15 120.5000 0.017 . 1 . . . A 70 ILE N . 19242 1 327 . 1 1 71 71 MET H H 1 8.4310 0.002 . 1 . . . A 71 MET H . 19242 1 328 . 1 1 71 71 MET C C 13 172.5000 0.005 . 1 . . . A 71 MET C . 19242 1 329 . 1 1 71 71 MET CA C 13 53.0400 0.010 . 1 . . . A 71 MET CA . 19242 1 330 . 1 1 71 71 MET CB C 13 33.9400 0.010 . 1 . . . A 71 MET CB . 19242 1 331 . 1 1 71 71 MET N N 15 128.3000 0.017 . 1 . . . A 71 MET N . 19242 1 332 . 1 1 72 72 SER H H 1 8.7170 0.002 . 1 . . . A 72 SER H . 19242 1 333 . 1 1 72 72 SER C C 13 172.8000 0.005 . 1 . . . A 72 SER C . 19242 1 334 . 1 1 72 72 SER CA C 13 57.6300 0.010 . 1 . . . A 72 SER CA . 19242 1 335 . 1 1 72 72 SER CB C 13 64.5900 0.010 . 1 . . . A 72 SER CB . 19242 1 336 . 1 1 72 72 SER N N 15 122.7000 0.017 . 1 . . . A 72 SER N . 19242 1 337 . 1 1 73 73 SER H H 1 8.5700 0.002 . 1 . . . A 73 SER H . 19242 1 338 . 1 1 73 73 SER C C 13 174.9000 0.005 . 1 . . . A 73 SER C . 19242 1 339 . 1 1 73 73 SER CA C 13 58.5900 0.010 . 1 . . . A 73 SER CA . 19242 1 340 . 1 1 73 73 SER CB C 13 62.9200 0.010 . 1 . . . A 73 SER CB . 19242 1 341 . 1 1 73 73 SER N N 15 120.6000 0.017 . 1 . . . A 73 SER N . 19242 1 342 . 1 1 74 74 LEU H H 1 8.6780 0.002 . 1 . . . A 74 LEU H . 19242 1 343 . 1 1 74 74 LEU C C 13 175.3000 0.005 . 1 . . . A 74 LEU C . 19242 1 344 . 1 1 74 74 LEU CA C 13 54.3200 0.010 . 1 . . . A 74 LEU CA . 19242 1 345 . 1 1 74 74 LEU CB C 13 42.3500 0.010 . 1 . . . A 74 LEU CB . 19242 1 346 . 1 1 74 74 LEU N N 15 120.7000 0.017 . 1 . . . A 74 LEU N . 19242 1 347 . 1 1 75 75 SER H H 1 8.1420 0.002 . 1 . . . A 75 SER H . 19242 1 348 . 1 1 75 75 SER C C 13 174.5000 0.005 . 1 . . . A 75 SER C . 19242 1 349 . 1 1 75 75 SER CA C 13 59.2500 0.010 . 1 . . . A 75 SER CA . 19242 1 350 . 1 1 75 75 SER CB C 13 63.0600 0.010 . 1 . . . A 75 SER CB . 19242 1 351 . 1 1 75 75 SER N N 15 122.0000 0.017 . 1 . . . A 75 SER N . 19242 1 352 . 1 1 76 76 ILE H H 1 8.3070 0.002 . 1 . . . A 76 ILE H . 19242 1 353 . 1 1 76 76 ILE C C 13 175.5000 0.005 . 1 . . . A 76 ILE C . 19242 1 354 . 1 1 76 76 ILE CA C 13 61.3400 0.010 . 1 . . . A 76 ILE CA . 19242 1 355 . 1 1 76 76 ILE CB C 13 35.7900 0.010 . 1 . . . A 76 ILE CB . 19242 1 356 . 1 1 76 76 ILE N N 15 125.2000 0.017 . 1 . . . A 76 ILE N . 19242 1 357 . 1 1 77 77 THR H H 1 6.5130 0.002 . 1 . . . A 77 THR H . 19242 1 358 . 1 1 77 77 THR C C 13 174.8000 0.005 . 1 . . . A 77 THR C . 19242 1 359 . 1 1 77 77 THR CA C 13 57.7600 0.010 . 1 . . . A 77 THR CA . 19242 1 360 . 1 1 77 77 THR CB C 13 71.5700 0.010 . 1 . . . A 77 THR CB . 19242 1 361 . 1 1 77 77 THR N N 15 116.6000 0.017 . 1 . . . A 77 THR N . 19242 1 362 . 1 1 78 78 GLU H H 1 8.9350 0.002 . 1 . . . A 78 GLU H . 19242 1 363 . 1 1 78 78 GLU C C 13 179.5000 0.005 . 1 . . . A 78 GLU C . 19242 1 364 . 1 1 78 78 GLU CA C 13 59.1400 0.010 . 1 . . . A 78 GLU CA . 19242 1 365 . 1 1 78 78 GLU CB C 13 28.6300 0.010 . 1 . . . A 78 GLU CB . 19242 1 366 . 1 1 78 78 GLU N N 15 124.5000 0.017 . 1 . . . A 78 GLU N . 19242 1 367 . 1 1 79 79 LYS H H 1 8.4150 0.002 . 1 . . . A 79 LYS H . 19242 1 368 . 1 1 79 79 LYS C C 13 180.6000 0.005 . 1 . . . A 79 LYS C . 19242 1 369 . 1 1 79 79 LYS CA C 13 58.8900 0.010 . 1 . . . A 79 LYS CA . 19242 1 370 . 1 1 79 79 LYS CB C 13 31.6100 0.010 . 1 . . . A 79 LYS CB . 19242 1 371 . 1 1 79 79 LYS N N 15 118.4000 0.017 . 1 . . . A 79 LYS N . 19242 1 372 . 1 1 80 80 ARG H H 1 7.6780 0.002 . 1 . . . A 80 ARG H . 19242 1 373 . 1 1 80 80 ARG C C 13 179.1000 0.005 . 1 . . . A 80 ARG C . 19242 1 374 . 1 1 80 80 ARG CA C 13 59.5800 0.010 . 1 . . . A 80 ARG CA . 19242 1 375 . 1 1 80 80 ARG CB C 13 30.3800 0.010 . 1 . . . A 80 ARG CB . 19242 1 376 . 1 1 80 80 ARG N N 15 118.5000 0.017 . 1 . . . A 80 ARG N . 19242 1 377 . 1 1 81 81 GLN H H 1 8.4180 0.002 . 1 . . . A 81 GLN H . 19242 1 378 . 1 1 81 81 GLN C C 13 176.6000 0.005 . 1 . . . A 81 GLN C . 19242 1 379 . 1 1 81 81 GLN CA C 13 57.5100 0.010 . 1 . . . A 81 GLN CA . 19242 1 380 . 1 1 81 81 GLN CB C 13 28.8800 0.010 . 1 . . . A 81 GLN CB . 19242 1 381 . 1 1 81 81 GLN N N 15 119.0000 0.017 . 1 . . . A 81 GLN N . 19242 1 382 . 1 1 82 82 GLN H H 1 7.2970 0.002 . 1 . . . A 82 GLN H . 19242 1 383 . 1 1 82 82 GLN C C 13 177.4000 0.005 . 1 . . . A 82 GLN C . 19242 1 384 . 1 1 82 82 GLN CA C 13 57.2800 0.010 . 1 . . . A 82 GLN CA . 19242 1 385 . 1 1 82 82 GLN CB C 13 27.9500 0.010 . 1 . . . A 82 GLN CB . 19242 1 386 . 1 1 82 82 GLN N N 15 115.3000 0.017 . 1 . . . A 82 GLN N . 19242 1 387 . 1 1 83 83 GLU H H 1 7.6270 0.002 . 1 . . . A 83 GLU H . 19242 1 388 . 1 1 83 83 GLU C C 13 176.4000 0.005 . 1 . . . A 83 GLU C . 19242 1 389 . 1 1 83 83 GLU CA C 13 56.9500 0.010 . 1 . . . A 83 GLU CA . 19242 1 390 . 1 1 83 83 GLU CB C 13 33.0900 0.010 . 1 . . . A 83 GLU CB . 19242 1 391 . 1 1 83 83 GLU N N 15 115.6000 0.017 . 1 . . . A 83 GLU N . 19242 1 392 . 1 1 84 84 ILE H H 1 8.2750 0.002 . 1 . . . A 84 ILE H . 19242 1 393 . 1 1 84 84 ILE C C 13 172.6000 0.005 . 1 . . . A 84 ILE C . 19242 1 394 . 1 1 84 84 ILE CA C 13 59.3800 0.010 . 1 . . . A 84 ILE CA . 19242 1 395 . 1 1 84 84 ILE CB C 13 40.8300 0.010 . 1 . . . A 84 ILE CB . 19242 1 396 . 1 1 84 84 ILE N N 15 115.1000 0.017 . 1 . . . A 84 ILE N . 19242 1 397 . 1 1 85 85 ALA H H 1 8.6790 0.002 . 1 . . . A 85 ALA H . 19242 1 398 . 1 1 85 85 ALA C C 13 175.0000 0.005 . 1 . . . A 85 ALA C . 19242 1 399 . 1 1 85 85 ALA CA C 13 49.1500 0.010 . 1 . . . A 85 ALA CA . 19242 1 400 . 1 1 85 85 ALA CB C 13 22.2800 0.010 . 1 . . . A 85 ALA CB . 19242 1 401 . 1 1 85 85 ALA N N 15 120.6000 0.017 . 1 . . . A 85 ALA N . 19242 1 402 . 1 1 86 86 PHE H H 1 8.2830 0.002 . 1 . . . A 86 PHE H . 19242 1 403 . 1 1 86 86 PHE C C 13 178.8000 0.005 . 1 . . . A 86 PHE C . 19242 1 404 . 1 1 86 86 PHE CA C 13 55.8500 0.010 . 1 . . . A 86 PHE CA . 19242 1 405 . 1 1 86 86 PHE CB C 13 44.3000 0.010 . 1 . . . A 86 PHE CB . 19242 1 406 . 1 1 86 86 PHE N N 15 115.5000 0.017 . 1 . . . A 86 PHE N . 19242 1 407 . 1 1 87 87 THR H H 1 7.8980 0.002 . 1 . . . A 87 THR H . 19242 1 408 . 1 1 87 87 THR C C 13 174.7000 0.005 . 1 . . . A 87 THR C . 19242 1 409 . 1 1 87 87 THR CA C 13 61.9300 0.010 . 1 . . . A 87 THR CA . 19242 1 410 . 1 1 87 87 THR CB C 13 72.7400 0.010 . 1 . . . A 87 THR CB . 19242 1 411 . 1 1 87 87 THR N N 15 108.2000 0.017 . 1 . . . A 87 THR N . 19242 1 412 . 1 1 88 88 ASP H H 1 8.7890 0.002 . 1 . . . A 88 ASP H . 19242 1 413 . 1 1 88 88 ASP C C 13 174.3000 0.005 . 1 . . . A 88 ASP C . 19242 1 414 . 1 1 88 88 ASP CA C 13 55.0300 0.010 . 1 . . . A 88 ASP CA . 19242 1 415 . 1 1 88 88 ASP CB C 13 40.8700 0.010 . 1 . . . A 88 ASP CB . 19242 1 416 . 1 1 88 88 ASP N N 15 118.4000 0.017 . 1 . . . A 88 ASP N . 19242 1 417 . 1 1 89 89 LYS H H 1 7.6660 0.002 . 1 . . . A 89 LYS H . 19242 1 418 . 1 1 89 89 LYS C C 13 176.2000 0.005 . 1 . . . A 89 LYS C . 19242 1 419 . 1 1 89 89 LYS CA C 13 55.5700 0.010 . 1 . . . A 89 LYS CA . 19242 1 420 . 1 1 89 89 LYS CB C 13 31.8500 0.010 . 1 . . . A 89 LYS CB . 19242 1 421 . 1 1 89 89 LYS N N 15 118.1000 0.017 . 1 . . . A 89 LYS N . 19242 1 422 . 1 1 90 90 LEU H H 1 8.7780 0.002 . 1 . . . A 90 LEU H . 19242 1 423 . 1 1 90 90 LEU C C 13 178.0000 0.005 . 1 . . . A 90 LEU C . 19242 1 424 . 1 1 90 90 LEU CA C 13 54.4500 0.010 . 1 . . . A 90 LEU CA . 19242 1 425 . 1 1 90 90 LEU CB C 13 41.7100 0.010 . 1 . . . A 90 LEU CB . 19242 1 426 . 1 1 90 90 LEU N N 15 123.4000 0.017 . 1 . . . A 90 LEU N . 19242 1 427 . 1 1 91 91 TYR H H 1 6.8100 0.002 . 1 . . . A 91 TYR H . 19242 1 428 . 1 1 91 91 TYR C C 13 172.6000 0.005 . 1 . . . A 91 TYR C . 19242 1 429 . 1 1 91 91 TYR CA C 13 56.0700 0.010 . 1 . . . A 91 TYR CA . 19242 1 430 . 1 1 91 91 TYR CB C 13 37.6700 0.010 . 1 . . . A 91 TYR CB . 19242 1 431 . 1 1 91 91 TYR N N 15 110.5000 0.017 . 1 . . . A 91 TYR N . 19242 1 432 . 1 1 92 92 ALA H H 1 8.1350 0.002 . 1 . . . A 92 ALA H . 19242 1 433 . 1 1 92 92 ALA C C 13 175.6000 0.005 . 1 . . . A 92 ALA C . 19242 1 434 . 1 1 92 92 ALA CA C 13 51.9400 0.010 . 1 . . . A 92 ALA CA . 19242 1 435 . 1 1 92 92 ALA CB C 13 20.3200 0.010 . 1 . . . A 92 ALA CB . 19242 1 436 . 1 1 92 92 ALA N N 15 123.1000 0.017 . 1 . . . A 92 ALA N . 19242 1 437 . 1 1 93 93 ALA H H 1 8.6580 0.002 . 1 . . . A 93 ALA H . 19242 1 438 . 1 1 93 93 ALA C C 13 175.7000 0.005 . 1 . . . A 93 ALA C . 19242 1 439 . 1 1 93 93 ALA CA C 13 51.0200 0.010 . 1 . . . A 93 ALA CA . 19242 1 440 . 1 1 93 93 ALA CB C 13 18.3100 0.010 . 1 . . . A 93 ALA CB . 19242 1 441 . 1 1 93 93 ALA N N 15 127.0000 0.017 . 1 . . . A 93 ALA N . 19242 1 442 . 1 1 94 94 ASP H H 1 8.4970 0.002 . 1 . . . A 94 ASP H . 19242 1 443 . 1 1 94 94 ASP C C 13 175.3000 0.005 . 1 . . . A 94 ASP C . 19242 1 444 . 1 1 94 94 ASP CA C 13 53.9100 0.010 . 1 . . . A 94 ASP CA . 19242 1 445 . 1 1 94 94 ASP CB C 13 42.0300 0.010 . 1 . . . A 94 ASP CB . 19242 1 446 . 1 1 94 94 ASP N N 15 122.9000 0.017 . 1 . . . A 94 ASP N . 19242 1 447 . 1 1 95 95 SER H H 1 6.8440 0.002 . 1 . . . A 95 SER H . 19242 1 448 . 1 1 95 95 SER C C 13 171.6000 0.005 . 1 . . . A 95 SER C . 19242 1 449 . 1 1 95 95 SER CA C 13 57.8500 0.010 . 1 . . . A 95 SER CA . 19242 1 450 . 1 1 95 95 SER CB C 13 66.4100 0.010 . 1 . . . A 95 SER CB . 19242 1 451 . 1 1 95 95 SER N N 15 110.3000 0.017 . 1 . . . A 95 SER N . 19242 1 452 . 1 1 96 96 ARG H H 1 9.2270 0.002 . 1 . . . A 96 ARG H . 19242 1 453 . 1 1 96 96 ARG C C 13 173.7000 0.005 . 1 . . . A 96 ARG C . 19242 1 454 . 1 1 96 96 ARG CA C 13 57.4500 0.010 . 1 . . . A 96 ARG CA . 19242 1 455 . 1 1 96 96 ARG CB C 13 34.0700 0.010 . 1 . . . A 96 ARG CB . 19242 1 456 . 1 1 96 96 ARG N N 15 124.3000 0.017 . 1 . . . A 96 ARG N . 19242 1 457 . 1 1 97 97 LEU H H 1 9.3430 0.002 . 1 . . . A 97 LEU H . 19242 1 458 . 1 1 97 97 LEU C C 13 177.6000 0.005 . 1 . . . A 97 LEU C . 19242 1 459 . 1 1 97 97 LEU CA C 13 54.1500 0.010 . 1 . . . A 97 LEU CA . 19242 1 460 . 1 1 97 97 LEU CB C 13 42.6400 0.010 . 1 . . . A 97 LEU CB . 19242 1 461 . 1 1 97 97 LEU N N 15 124.1000 0.017 . 1 . . . A 97 LEU N . 19242 1 462 . 1 1 98 98 VAL H H 1 9.5000 0.002 . 1 . . . A 98 VAL H . 19242 1 463 . 1 1 98 98 VAL C C 13 175.7000 0.005 . 1 . . . A 98 VAL C . 19242 1 464 . 1 1 98 98 VAL CA C 13 61.7700 0.010 . 1 . . . A 98 VAL CA . 19242 1 465 . 1 1 98 98 VAL CB C 13 32.9500 0.010 . 1 . . . A 98 VAL CB . 19242 1 466 . 1 1 98 98 VAL N N 15 124.5000 0.017 . 1 . . . A 98 VAL N . 19242 1 467 . 1 1 99 99 VAL H H 1 9.1920 0.002 . 1 . . . A 99 VAL H . 19242 1 468 . 1 1 99 99 VAL C C 13 174.6000 0.005 . 1 . . . A 99 VAL C . 19242 1 469 . 1 1 99 99 VAL CA C 13 58.1900 0.010 . 1 . . . A 99 VAL CA . 19242 1 470 . 1 1 99 99 VAL CB C 13 36.7800 0.010 . 1 . . . A 99 VAL CB . 19242 1 471 . 1 1 99 99 VAL N N 15 116.8000 0.017 . 1 . . . A 99 VAL N . 19242 1 472 . 1 1 100 100 ALA H H 1 9.0430 0.002 . 1 . . . A 100 ALA H . 19242 1 473 . 1 1 100 100 ALA C C 13 179.2000 0.005 . 1 . . . A 100 ALA C . 19242 1 474 . 1 1 100 100 ALA CA C 13 52.6900 0.010 . 1 . . . A 100 ALA CA . 19242 1 475 . 1 1 100 100 ALA CB C 13 18.1600 0.010 . 1 . . . A 100 ALA CB . 19242 1 476 . 1 1 100 100 ALA N N 15 123.4000 0.017 . 1 . . . A 100 ALA N . 19242 1 477 . 1 1 101 101 LYS H H 1 7.8400 0.002 . 1 . . . A 101 LYS H . 19242 1 478 . 1 1 101 101 LYS C C 13 176.8000 0.005 . 1 . . . A 101 LYS C . 19242 1 479 . 1 1 101 101 LYS CA C 13 59.3600 0.010 . 1 . . . A 101 LYS CA . 19242 1 480 . 1 1 101 101 LYS CB C 13 31.3800 0.010 . 1 . . . A 101 LYS CB . 19242 1 481 . 1 1 101 101 LYS N N 15 119.6000 0.017 . 1 . . . A 101 LYS N . 19242 1 482 . 1 1 102 102 ASN H H 1 7.9410 0.002 . 1 . . . A 102 ASN H . 19242 1 483 . 1 1 102 102 ASN C C 13 175.5000 0.005 . 1 . . . A 102 ASN C . 19242 1 484 . 1 1 102 102 ASN CA C 13 52.3300 0.010 . 1 . . . A 102 ASN CA . 19242 1 485 . 1 1 102 102 ASN CB C 13 36.9900 0.010 . 1 . . . A 102 ASN CB . 19242 1 486 . 1 1 102 102 ASN N N 15 114.4000 0.017 . 1 . . . A 102 ASN N . 19242 1 487 . 1 1 103 103 SER H H 1 7.7000 0.002 . 1 . . . A 103 SER H . 19242 1 488 . 1 1 103 103 SER C C 13 176.0000 0.005 . 1 . . . A 103 SER C . 19242 1 489 . 1 1 103 103 SER CA C 13 58.1800 0.010 . 1 . . . A 103 SER CA . 19242 1 490 . 1 1 103 103 SER CB C 13 64.3100 0.010 . 1 . . . A 103 SER CB . 19242 1 491 . 1 1 103 103 SER N N 15 114.8000 0.017 . 1 . . . A 103 SER N . 19242 1 492 . 1 1 104 104 ASP H H 1 8.5480 0.002 . 1 . . . A 104 ASP H . 19242 1 493 . 1 1 104 104 ASP C C 13 176.7000 0.005 . 1 . . . A 104 ASP C . 19242 1 494 . 1 1 104 104 ASP CA C 13 52.9900 0.010 . 1 . . . A 104 ASP CA . 19242 1 495 . 1 1 104 104 ASP CB C 13 40.3300 0.010 . 1 . . . A 104 ASP CB . 19242 1 496 . 1 1 104 104 ASP N N 15 128.5000 0.017 . 1 . . . A 104 ASP N . 19242 1 497 . 1 1 105 105 ILE H H 1 7.8260 0.002 . 1 . . . A 105 ILE H . 19242 1 498 . 1 1 105 105 ILE C C 13 173.8000 0.005 . 1 . . . A 105 ILE C . 19242 1 499 . 1 1 105 105 ILE CA C 13 63.5800 0.010 . 1 . . . A 105 ILE CA . 19242 1 500 . 1 1 105 105 ILE CB C 13 37.4900 0.010 . 1 . . . A 105 ILE CB . 19242 1 501 . 1 1 105 105 ILE N N 15 122.8000 0.017 . 1 . . . A 105 ILE N . 19242 1 502 . 1 1 106 106 GLN H H 1 8.1740 0.002 . 1 . . . A 106 GLN H . 19242 1 503 . 1 1 106 106 GLN C C 13 174.7000 0.005 . 1 . . . A 106 GLN C . 19242 1 504 . 1 1 106 106 GLN CA C 13 51.3800 0.010 . 1 . . . A 106 GLN CA . 19242 1 505 . 1 1 106 106 GLN CB C 13 31.0500 0.010 . 1 . . . A 106 GLN CB . 19242 1 506 . 1 1 106 106 GLN N N 15 124.6000 0.017 . 1 . . . A 106 GLN N . 19242 1 507 . 1 1 107 107 PRO C C 13 175.3000 0.005 . 1 . . . A 107 PRO C . 19242 1 508 . 1 1 107 107 PRO CA C 13 61.8800 0.010 . 1 . . . A 107 PRO CA . 19242 1 509 . 1 1 107 107 PRO CB C 13 26.8600 0.010 . 1 . . . A 107 PRO CB . 19242 1 510 . 1 1 108 108 THR H H 1 8.5310 0.002 . 1 . . . A 108 THR H . 19242 1 511 . 1 1 108 108 THR C C 13 174.0000 0.005 . 1 . . . A 108 THR C . 19242 1 512 . 1 1 108 108 THR CA C 13 57.6900 0.010 . 1 . . . A 108 THR CA . 19242 1 513 . 1 1 108 108 THR CB C 13 71.0200 0.010 . 1 . . . A 108 THR CB . 19242 1 514 . 1 1 108 108 THR N N 15 114.6000 0.017 . 1 . . . A 108 THR N . 19242 1 515 . 1 1 109 109 VAL H H 1 8.7750 0.002 . 1 . . . A 109 VAL H . 19242 1 516 . 1 1 109 109 VAL C C 13 177.3000 0.005 . 1 . . . A 109 VAL C . 19242 1 517 . 1 1 109 109 VAL CA C 13 65.6000 0.010 . 1 . . . A 109 VAL CA . 19242 1 518 . 1 1 109 109 VAL CB C 13 30.5800 0.010 . 1 . . . A 109 VAL CB . 19242 1 519 . 1 1 109 109 VAL N N 15 121.8000 0.017 . 1 . . . A 109 VAL N . 19242 1 520 . 1 1 110 110 GLU H H 1 8.4140 0.002 . 1 . . . A 110 GLU H . 19242 1 521 . 1 1 110 110 GLU C C 13 178.4000 0.005 . 1 . . . A 110 GLU C . 19242 1 522 . 1 1 110 110 GLU CA C 13 59.2600 0.010 . 1 . . . A 110 GLU CA . 19242 1 523 . 1 1 110 110 GLU CB C 13 28.1700 0.010 . 1 . . . A 110 GLU CB . 19242 1 524 . 1 1 110 110 GLU N N 15 116.9000 0.017 . 1 . . . A 110 GLU N . 19242 1 525 . 1 1 111 111 SER H H 1 7.3870 0.002 . 1 . . . A 111 SER H . 19242 1 526 . 1 1 111 111 SER C C 13 176.5000 0.005 . 1 . . . A 111 SER C . 19242 1 527 . 1 1 111 111 SER CA C 13 59.3700 0.010 . 1 . . . A 111 SER CA . 19242 1 528 . 1 1 111 111 SER CB C 13 63.7300 0.010 . 1 . . . A 111 SER CB . 19242 1 529 . 1 1 111 111 SER N N 15 113.2000 0.017 . 1 . . . A 111 SER N . 19242 1 530 . 1 1 112 112 LEU H H 1 7.6760 0.002 . 1 . . . A 112 LEU H . 19242 1 531 . 1 1 112 112 LEU C C 13 176.7000 0.005 . 1 . . . A 112 LEU C . 19242 1 532 . 1 1 112 112 LEU CA C 13 54.5800 0.010 . 1 . . . A 112 LEU CA . 19242 1 533 . 1 1 112 112 LEU CB C 13 42.6500 0.010 . 1 . . . A 112 LEU CB . 19242 1 534 . 1 1 112 112 LEU N N 15 116.1000 0.017 . 1 . . . A 112 LEU N . 19242 1 535 . 1 1 113 113 LYS H H 1 7.4450 0.002 . 1 . . . A 113 LYS H . 19242 1 536 . 1 1 113 113 LYS C C 13 178.2000 0.005 . 1 . . . A 113 LYS C . 19242 1 537 . 1 1 113 113 LYS CA C 13 58.8500 0.010 . 1 . . . A 113 LYS CA . 19242 1 538 . 1 1 113 113 LYS CB C 13 30.8500 0.010 . 1 . . . A 113 LYS CB . 19242 1 539 . 1 1 113 113 LYS N N 15 121.0000 0.017 . 1 . . . A 113 LYS N . 19242 1 540 . 1 1 114 114 GLY H H 1 8.4540 0.002 . 1 . . . A 114 GLY H . 19242 1 541 . 1 1 114 114 GLY C C 13 174.2000 0.005 . 1 . . . A 114 GLY C . 19242 1 542 . 1 1 114 114 GLY CA C 13 45.2400 0.010 . 1 . . . A 114 GLY CA . 19242 1 543 . 1 1 114 114 GLY N N 15 113.9000 0.017 . 1 . . . A 114 GLY N . 19242 1 544 . 1 1 115 115 LYS H H 1 8.5300 0.002 . 1 . . . A 115 LYS H . 19242 1 545 . 1 1 115 115 LYS C C 13 174.8000 0.005 . 1 . . . A 115 LYS C . 19242 1 546 . 1 1 115 115 LYS CA C 13 53.7100 0.010 . 1 . . . A 115 LYS CA . 19242 1 547 . 1 1 115 115 LYS CB C 13 31.9900 0.010 . 1 . . . A 115 LYS CB . 19242 1 548 . 1 1 115 115 LYS N N 15 120.6000 0.017 . 1 . . . A 115 LYS N . 19242 1 549 . 1 1 116 116 ARG H H 1 9.4550 0.002 . 1 . . . A 116 ARG H . 19242 1 550 . 1 1 116 116 ARG C C 13 176.0000 0.005 . 1 . . . A 116 ARG C . 19242 1 551 . 1 1 116 116 ARG CA C 13 54.7200 0.010 . 1 . . . A 116 ARG CA . 19242 1 552 . 1 1 116 116 ARG CB C 13 32.3100 0.010 . 1 . . . A 116 ARG CB . 19242 1 553 . 1 1 116 116 ARG N N 15 119.3000 0.017 . 1 . . . A 116 ARG N . 19242 1 554 . 1 1 117 117 VAL H H 1 9.2170 0.002 . 1 . . . A 117 VAL H . 19242 1 555 . 1 1 117 117 VAL C C 13 175.3000 0.005 . 1 . . . A 117 VAL C . 19242 1 556 . 1 1 117 117 VAL CA C 13 60.0900 0.010 . 1 . . . A 117 VAL CA . 19242 1 557 . 1 1 117 117 VAL CB C 13 33.6200 0.010 . 1 . . . A 117 VAL CB . 19242 1 558 . 1 1 117 117 VAL N N 15 126.1000 0.017 . 1 . . . A 117 VAL N . 19242 1 559 . 1 1 118 118 GLY H H 1 9.3670 0.002 . 1 . . . A 118 GLY H . 19242 1 560 . 1 1 118 118 GLY C C 13 172.3000 0.005 . 1 . . . A 118 GLY C . 19242 1 561 . 1 1 118 118 GLY CA C 13 45.0100 0.010 . 1 . . . A 118 GLY CA . 19242 1 562 . 1 1 118 118 GLY N N 15 114.0000 0.017 . 1 . . . A 118 GLY N . 19242 1 563 . 1 1 119 119 VAL H H 1 9.1660 0.002 . 1 . . . A 119 VAL H . 19242 1 564 . 1 1 119 119 VAL C C 13 174.1000 0.005 . 1 . . . A 119 VAL C . 19242 1 565 . 1 1 119 119 VAL CA C 13 58.2700 0.010 . 1 . . . A 119 VAL CA . 19242 1 566 . 1 1 119 119 VAL CB C 13 36.3700 0.010 . 1 . . . A 119 VAL CB . 19242 1 567 . 1 1 119 119 VAL N N 15 116.4000 0.017 . 1 . . . A 119 VAL N . 19242 1 568 . 1 1 120 120 LEU H H 1 8.9610 0.002 . 1 . . . A 120 LEU H . 19242 1 569 . 1 1 120 120 LEU C C 13 176.9000 0.005 . 1 . . . A 120 LEU C . 19242 1 570 . 1 1 120 120 LEU CA C 13 53.6900 0.010 . 1 . . . A 120 LEU CA . 19242 1 571 . 1 1 120 120 LEU CB C 13 41.2400 0.010 . 1 . . . A 120 LEU CB . 19242 1 572 . 1 1 120 120 LEU N N 15 124.4000 0.017 . 1 . . . A 120 LEU N . 19242 1 573 . 1 1 121 121 GLN H H 1 9.3050 0.002 . 1 . . . A 121 GLN H . 19242 1 574 . 1 1 121 121 GLN C C 13 176.9000 0.005 . 1 . . . A 121 GLN C . 19242 1 575 . 1 1 121 121 GLN CA C 13 56.6800 0.010 . 1 . . . A 121 GLN CA . 19242 1 576 . 1 1 121 121 GLN CB C 13 27.9200 0.010 . 1 . . . A 121 GLN CB . 19242 1 577 . 1 1 121 121 GLN N N 15 128.0000 0.017 . 1 . . . A 121 GLN N . 19242 1 578 . 1 1 122 122 GLY H H 1 9.3830 0.002 . 1 . . . A 122 GLY H . 19242 1 579 . 1 1 122 122 GLY C C 13 175.1000 0.005 . 1 . . . A 122 GLY C . 19242 1 580 . 1 1 122 122 GLY CA C 13 45.2400 0.010 . 1 . . . A 122 GLY CA . 19242 1 581 . 1 1 122 122 GLY N N 15 113.6000 0.017 . 1 . . . A 122 GLY N . 19242 1 582 . 1 1 123 123 THR H H 1 7.2200 0.002 . 1 . . . A 123 THR H . 19242 1 583 . 1 1 123 123 THR C C 13 176.8000 0.005 . 1 . . . A 123 THR C . 19242 1 584 . 1 1 123 123 THR CA C 13 60.2600 0.010 . 1 . . . A 123 THR CA . 19242 1 585 . 1 1 123 123 THR CB C 13 73.5300 0.010 . 1 . . . A 123 THR CB . 19242 1 586 . 1 1 123 123 THR N N 15 108.4000 0.017 . 1 . . . A 123 THR N . 19242 1 587 . 1 1 124 124 THR H H 1 8.9340 0.002 . 1 . . . A 124 THR H . 19242 1 588 . 1 1 124 124 THR C C 13 178.1000 0.005 . 1 . . . A 124 THR C . 19242 1 589 . 1 1 124 124 THR CA C 13 63.9900 0.010 . 1 . . . A 124 THR CA . 19242 1 590 . 1 1 124 124 THR CB C 13 67.7400 0.010 . 1 . . . A 124 THR CB . 19242 1 591 . 1 1 124 124 THR N N 15 113.9000 0.017 . 1 . . . A 124 THR N . 19242 1 592 . 1 1 125 125 GLN H H 1 7.5210 0.002 . 1 . . . A 125 GLN H . 19242 1 593 . 1 1 125 125 GLN C C 13 178.3000 0.005 . 1 . . . A 125 GLN C . 19242 1 594 . 1 1 125 125 GLN CA C 13 61.6700 0.010 . 1 . . . A 125 GLN CA . 19242 1 595 . 1 1 125 125 GLN CB C 13 25.3100 0.010 . 1 . . . A 125 GLN CB . 19242 1 596 . 1 1 125 125 GLN N N 15 120.6000 0.017 . 1 . . . A 125 GLN N . 19242 1 597 . 1 1 126 126 GLU H H 1 7.7170 0.002 . 1 . . . A 126 GLU H . 19242 1 598 . 1 1 126 126 GLU C C 13 177.6000 0.005 . 1 . . . A 126 GLU C . 19242 1 599 . 1 1 126 126 GLU CA C 13 59.6300 0.010 . 1 . . . A 126 GLU CA . 19242 1 600 . 1 1 126 126 GLU CB C 13 28.7300 0.010 . 1 . . . A 126 GLU CB . 19242 1 601 . 1 1 126 126 GLU N N 15 121.9000 0.017 . 1 . . . A 126 GLU N . 19242 1 602 . 1 1 127 127 THR H H 1 8.1750 0.002 . 1 . . . A 127 THR H . 19242 1 603 . 1 1 127 127 THR C C 13 176.2000 0.005 . 1 . . . A 127 THR C . 19242 1 604 . 1 1 127 127 THR CA C 13 66.3400 0.010 . 1 . . . A 127 THR CA . 19242 1 605 . 1 1 127 127 THR CB C 13 67.5900 0.010 . 1 . . . A 127 THR CB . 19242 1 606 . 1 1 127 127 THR N N 15 117.8000 0.017 . 1 . . . A 127 THR N . 19242 1 607 . 1 1 128 128 PHE H H 1 8.8820 0.002 . 1 . . . A 128 PHE H . 19242 1 608 . 1 1 128 128 PHE C C 13 178.0000 0.005 . 1 . . . A 128 PHE C . 19242 1 609 . 1 1 128 128 PHE CA C 13 61.5900 0.010 . 1 . . . A 128 PHE CA . 19242 1 610 . 1 1 128 128 PHE CB C 13 38.8100 0.010 . 1 . . . A 128 PHE CB . 19242 1 611 . 1 1 128 128 PHE N N 15 121.9000 0.017 . 1 . . . A 128 PHE N . 19242 1 612 . 1 1 129 129 GLY H H 1 8.9000 0.002 . 1 . . . A 129 GLY H . 19242 1 613 . 1 1 129 129 GLY C C 13 176.1000 0.005 . 1 . . . A 129 GLY C . 19242 1 614 . 1 1 129 129 GLY CA C 13 46.6900 0.010 . 1 . . . A 129 GLY CA . 19242 1 615 . 1 1 129 129 GLY N N 15 107.0000 0.017 . 1 . . . A 129 GLY N . 19242 1 616 . 1 1 130 130 ASN H H 1 8.9150 0.002 . 1 . . . A 130 ASN H . 19242 1 617 . 1 1 130 130 ASN C C 13 176.2000 0.005 . 1 . . . A 130 ASN C . 19242 1 618 . 1 1 130 130 ASN CA C 13 55.4000 0.010 . 1 . . . A 130 ASN CA . 19242 1 619 . 1 1 130 130 ASN CB C 13 37.5700 0.010 . 1 . . . A 130 ASN CB . 19242 1 620 . 1 1 130 130 ASN N N 15 123.0000 0.017 . 1 . . . A 130 ASN N . 19242 1 621 . 1 1 131 131 GLU H H 1 7.9070 0.002 . 1 . . . A 131 GLU H . 19242 1 622 . 1 1 131 131 GLU C C 13 177.9000 0.005 . 1 . . . A 131 GLU C . 19242 1 623 . 1 1 131 131 GLU CA C 13 57.9400 0.010 . 1 . . . A 131 GLU CA . 19242 1 624 . 1 1 131 131 GLU CB C 13 29.3500 0.010 . 1 . . . A 131 GLU CB . 19242 1 625 . 1 1 131 131 GLU N N 15 119.0000 0.017 . 1 . . . A 131 GLU N . 19242 1 626 . 1 1 132 132 HIS H H 1 7.8770 0.002 . 1 . . . A 132 HIS H . 19242 1 627 . 1 1 132 132 HIS C C 13 175.9000 0.005 . 1 . . . A 132 HIS C . 19242 1 628 . 1 1 132 132 HIS CA C 13 56.9100 0.010 . 1 . . . A 132 HIS CA . 19242 1 629 . 1 1 132 132 HIS CB C 13 30.5100 0.010 . 1 . . . A 132 HIS CB . 19242 1 630 . 1 1 132 132 HIS N N 15 112.6000 0.017 . 1 . . . A 132 HIS N . 19242 1 631 . 1 1 133 133 TRP H H 1 7.6530 0.002 . 1 . . . A 133 TRP H . 19242 1 632 . 1 1 133 133 TRP C C 13 176.8000 0.005 . 1 . . . A 133 TRP C . 19242 1 633 . 1 1 133 133 TRP CA C 13 55.5700 0.010 . 1 . . . A 133 TRP CA . 19242 1 634 . 1 1 133 133 TRP CB C 13 30.4000 0.010 . 1 . . . A 133 TRP CB . 19242 1 635 . 1 1 133 133 TRP N N 15 119.3000 0.017 . 1 . . . A 133 TRP N . 19242 1 636 . 1 1 134 134 ALA H H 1 8.7110 0.002 . 1 . . . A 134 ALA H . 19242 1 637 . 1 1 134 134 ALA C C 13 177.7000 0.005 . 1 . . . A 134 ALA C . 19242 1 638 . 1 1 134 134 ALA CA C 13 55.4100 0.010 . 1 . . . A 134 ALA CA . 19242 1 639 . 1 1 134 134 ALA CB C 13 15.9900 0.010 . 1 . . . A 134 ALA CB . 19242 1 640 . 1 1 134 134 ALA N N 15 125.4000 0.017 . 1 . . . A 134 ALA N . 19242 1 641 . 1 1 135 135 PRO C C 13 177.2000 0.005 . 1 . . . A 135 PRO C . 19242 1 642 . 1 1 135 135 PRO CA C 13 64.5100 0.010 . 1 . . . A 135 PRO CA . 19242 1 643 . 1 1 135 135 PRO CB C 13 30.8000 0.010 . 1 . . . A 135 PRO CB . 19242 1 644 . 1 1 136 136 LYS H H 1 7.6650 0.002 . 1 . . . A 136 LYS H . 19242 1 645 . 1 1 136 136 LYS C C 13 176.5000 0.005 . 1 . . . A 136 LYS C . 19242 1 646 . 1 1 136 136 LYS CA C 13 53.5300 0.010 . 1 . . . A 136 LYS CA . 19242 1 647 . 1 1 136 136 LYS CB C 13 31.4300 0.010 . 1 . . . A 136 LYS CB . 19242 1 648 . 1 1 136 136 LYS N N 15 115.8000 0.017 . 1 . . . A 136 LYS N . 19242 1 649 . 1 1 137 137 GLY H H 1 7.8640 0.002 . 1 . . . A 137 GLY H . 19242 1 650 . 1 1 137 137 GLY C C 13 174.3000 0.005 . 1 . . . A 137 GLY C . 19242 1 651 . 1 1 137 137 GLY CA C 13 45.7400 0.010 . 1 . . . A 137 GLY CA . 19242 1 652 . 1 1 137 137 GLY N N 15 106.1000 0.017 . 1 . . . A 137 GLY N . 19242 1 653 . 1 1 138 138 ILE H H 1 6.8890 0.002 . 1 . . . A 138 ILE H . 19242 1 654 . 1 1 138 138 ILE C C 13 174.4000 0.005 . 1 . . . A 138 ILE C . 19242 1 655 . 1 1 138 138 ILE CA C 13 60.4600 0.010 . 1 . . . A 138 ILE CA . 19242 1 656 . 1 1 138 138 ILE CB C 13 38.0800 0.010 . 1 . . . A 138 ILE CB . 19242 1 657 . 1 1 138 138 ILE N N 15 124.4000 0.017 . 1 . . . A 138 ILE N . 19242 1 658 . 1 1 139 139 GLU H H 1 8.2300 0.002 . 1 . . . A 139 GLU H . 19242 1 659 . 1 1 139 139 GLU C C 13 173.9000 0.005 . 1 . . . A 139 GLU C . 19242 1 660 . 1 1 139 139 GLU CA C 13 56.0500 0.010 . 1 . . . A 139 GLU CA . 19242 1 661 . 1 1 139 139 GLU CB C 13 29.4900 0.010 . 1 . . . A 139 GLU CB . 19242 1 662 . 1 1 139 139 GLU N N 15 128.4000 0.017 . 1 . . . A 139 GLU N . 19242 1 663 . 1 1 140 140 ILE H H 1 8.6420 0.002 . 1 . . . A 140 ILE H . 19242 1 664 . 1 1 140 140 ILE C C 13 176.1000 0.005 . 1 . . . A 140 ILE C . 19242 1 665 . 1 1 140 140 ILE CA C 13 57.1000 0.010 . 1 . . . A 140 ILE CA . 19242 1 666 . 1 1 140 140 ILE CB C 13 34.4400 0.010 . 1 . . . A 140 ILE CB . 19242 1 667 . 1 1 140 140 ILE N N 15 129.5000 0.017 . 1 . . . A 140 ILE N . 19242 1 668 . 1 1 141 141 VAL H H 1 9.3870 0.002 . 1 . . . A 141 VAL H . 19242 1 669 . 1 1 141 141 VAL C C 13 174.4000 0.005 . 1 . . . A 141 VAL C . 19242 1 670 . 1 1 141 141 VAL CA C 13 61.0600 0.010 . 1 . . . A 141 VAL CA . 19242 1 671 . 1 1 141 141 VAL CB C 13 32.4100 0.010 . 1 . . . A 141 VAL CB . 19242 1 672 . 1 1 141 141 VAL N N 15 133.0000 0.017 . 1 . . . A 141 VAL N . 19242 1 673 . 1 1 142 142 SER H H 1 8.4900 0.002 . 1 . . . A 142 SER H . 19242 1 674 . 1 1 142 142 SER C C 13 175.0000 0.005 . 1 . . . A 142 SER C . 19242 1 675 . 1 1 142 142 SER CA C 13 57.7100 0.010 . 1 . . . A 142 SER CA . 19242 1 676 . 1 1 142 142 SER CB C 13 63.7100 0.010 . 1 . . . A 142 SER CB . 19242 1 677 . 1 1 142 142 SER N N 15 122.9000 0.017 . 1 . . . A 142 SER N . 19242 1 678 . 1 1 143 143 TYR H H 1 8.9790 0.002 . 1 . . . A 143 TYR H . 19242 1 679 . 1 1 143 143 TYR C C 13 175.9000 0.005 . 1 . . . A 143 TYR C . 19242 1 680 . 1 1 143 143 TYR CA C 13 57.3000 0.010 . 1 . . . A 143 TYR CA . 19242 1 681 . 1 1 143 143 TYR CB C 13 42.3000 0.010 . 1 . . . A 143 TYR CB . 19242 1 682 . 1 1 143 143 TYR N N 15 123.4000 0.017 . 1 . . . A 143 TYR N . 19242 1 683 . 1 1 144 144 GLN H H 1 8.9740 0.002 . 1 . . . A 144 GLN H . 19242 1 684 . 1 1 144 144 GLN C C 13 176.0000 0.005 . 1 . . . A 144 GLN C . 19242 1 685 . 1 1 144 144 GLN CA C 13 56.4900 0.010 . 1 . . . A 144 GLN CA . 19242 1 686 . 1 1 144 144 GLN CB C 13 28.4700 0.010 . 1 . . . A 144 GLN CB . 19242 1 687 . 1 1 144 144 GLN N N 15 119.5000 0.017 . 1 . . . A 144 GLN N . 19242 1 688 . 1 1 145 145 GLY H H 1 7.5310 0.002 . 1 . . . A 145 GLY H . 19242 1 689 . 1 1 145 145 GLY C C 13 173.5000 0.005 . 1 . . . A 145 GLY C . 19242 1 690 . 1 1 145 145 GLY CA C 13 44.3000 0.010 . 1 . . . A 145 GLY CA . 19242 1 691 . 1 1 145 145 GLY N N 15 106.8000 0.017 . 1 . . . A 145 GLY N . 19242 1 692 . 1 1 146 146 GLN H H 1 8.9490 0.002 . 1 . . . A 146 GLN H . 19242 1 693 . 1 1 146 146 GLN C C 13 177.2000 0.005 . 1 . . . A 146 GLN C . 19242 1 694 . 1 1 146 146 GLN CA C 13 57.8000 0.010 . 1 . . . A 146 GLN CA . 19242 1 695 . 1 1 146 146 GLN CB C 13 28.1900 0.010 . 1 . . . A 146 GLN CB . 19242 1 696 . 1 1 146 146 GLN N N 15 124.3000 0.017 . 1 . . . A 146 GLN N . 19242 1 697 . 1 1 147 147 ASP H H 1 8.7460 0.002 . 1 . . . A 147 ASP H . 19242 1 698 . 1 1 147 147 ASP C C 13 178.9000 0.005 . 1 . . . A 147 ASP C . 19242 1 699 . 1 1 147 147 ASP CA C 13 56.6500 0.010 . 1 . . . A 147 ASP CA . 19242 1 700 . 1 1 147 147 ASP CB C 13 38.8900 0.010 . 1 . . . A 147 ASP CB . 19242 1 701 . 1 1 147 147 ASP N N 15 117.9000 0.017 . 1 . . . A 147 ASP N . 19242 1 702 . 1 1 148 148 ASN H H 1 7.4960 0.002 . 1 . . . A 148 ASN H . 19242 1 703 . 1 1 148 148 ASN C C 13 176.7000 0.005 . 1 . . . A 148 ASN C . 19242 1 704 . 1 1 148 148 ASN CA C 13 55.1600 0.010 . 1 . . . A 148 ASN CA . 19242 1 705 . 1 1 148 148 ASN CB C 13 38.7000 0.010 . 1 . . . A 148 ASN CB . 19242 1 706 . 1 1 148 148 ASN N N 15 117.5000 0.017 . 1 . . . A 148 ASN N . 19242 1 707 . 1 1 149 149 ILE H H 1 6.7930 0.002 . 1 . . . A 149 ILE H . 19242 1 708 . 1 1 149 149 ILE C C 13 177.4000 0.005 . 1 . . . A 149 ILE C . 19242 1 709 . 1 1 149 149 ILE CA C 13 64.4500 0.010 . 1 . . . A 149 ILE CA . 19242 1 710 . 1 1 149 149 ILE CB C 13 35.9000 0.010 . 1 . . . A 149 ILE CB . 19242 1 711 . 1 1 149 149 ILE N N 15 120.0000 0.017 . 1 . . . A 149 ILE N . 19242 1 712 . 1 1 150 150 TYR H H 1 6.8970 0.002 . 1 . . . A 150 TYR H . 19242 1 713 . 1 1 150 150 TYR C C 13 178.8000 0.005 . 1 . . . A 150 TYR C . 19242 1 714 . 1 1 150 150 TYR CA C 13 59.7300 0.010 . 1 . . . A 150 TYR CA . 19242 1 715 . 1 1 150 150 TYR CB C 13 35.9700 0.010 . 1 . . . A 150 TYR CB . 19242 1 716 . 1 1 150 150 TYR N N 15 117.4000 0.017 . 1 . . . A 150 TYR N . 19242 1 717 . 1 1 151 151 SER H H 1 8.1860 0.002 . 1 . . . A 151 SER H . 19242 1 718 . 1 1 151 151 SER C C 13 177.0000 0.005 . 1 . . . A 151 SER C . 19242 1 719 . 1 1 151 151 SER CA C 13 61.3000 0.010 . 1 . . . A 151 SER CA . 19242 1 720 . 1 1 151 151 SER CB C 13 62.1000 0.010 . 1 . . . A 151 SER CB . 19242 1 721 . 1 1 151 151 SER N N 15 117.0000 0.017 . 1 . . . A 151 SER N . 19242 1 722 . 1 1 152 152 ASP H H 1 7.5410 0.002 . 1 . . . A 152 ASP H . 19242 1 723 . 1 1 152 152 ASP C C 13 179.0000 0.005 . 1 . . . A 152 ASP C . 19242 1 724 . 1 1 152 152 ASP CA C 13 56.5800 0.010 . 1 . . . A 152 ASP CA . 19242 1 725 . 1 1 152 152 ASP CB C 13 38.2400 0.010 . 1 . . . A 152 ASP CB . 19242 1 726 . 1 1 152 152 ASP N N 15 122.3000 0.017 . 1 . . . A 152 ASP N . 19242 1 727 . 1 1 153 153 LEU H H 1 8.3720 0.002 . 1 . . . A 153 LEU H . 19242 1 728 . 1 1 153 153 LEU C C 13 180.3000 0.005 . 1 . . . A 153 LEU C . 19242 1 729 . 1 1 153 153 LEU CA C 13 58.1600 0.010 . 1 . . . A 153 LEU CA . 19242 1 730 . 1 1 153 153 LEU CB C 13 41.6300 0.010 . 1 . . . A 153 LEU CB . 19242 1 731 . 1 1 153 153 LEU N N 15 124.1000 0.017 . 1 . . . A 153 LEU N . 19242 1 732 . 1 1 154 154 THR H H 1 8.3890 0.002 . 1 . . . A 154 THR H . 19242 1 733 . 1 1 154 154 THR C C 13 176.7000 0.005 . 1 . . . A 154 THR C . 19242 1 734 . 1 1 154 154 THR CA C 13 63.9200 0.010 . 1 . . . A 154 THR CA . 19242 1 735 . 1 1 154 154 THR CB C 13 68.7000 0.010 . 1 . . . A 154 THR CB . 19242 1 736 . 1 1 154 154 THR N N 15 111.9000 0.017 . 1 . . . A 154 THR N . 19242 1 737 . 1 1 155 155 ALA H H 1 7.4440 0.002 . 1 . . . A 155 ALA H . 19242 1 738 . 1 1 155 155 ALA C C 13 178.2000 0.005 . 1 . . . A 155 ALA C . 19242 1 739 . 1 1 155 155 ALA CA C 13 51.6400 0.010 . 1 . . . A 155 ALA CA . 19242 1 740 . 1 1 155 155 ALA CB C 13 18.9900 0.010 . 1 . . . A 155 ALA CB . 19242 1 741 . 1 1 155 155 ALA N N 15 121.8000 0.017 . 1 . . . A 155 ALA N . 19242 1 742 . 1 1 156 156 GLY H H 1 7.9210 0.002 . 1 . . . A 156 GLY H . 19242 1 743 . 1 1 156 156 GLY C C 13 175.1000 0.005 . 1 . . . A 156 GLY C . 19242 1 744 . 1 1 156 156 GLY CA C 13 45.4200 0.010 . 1 . . . A 156 GLY CA . 19242 1 745 . 1 1 156 156 GLY N N 15 107.8000 0.017 . 1 . . . A 156 GLY N . 19242 1 746 . 1 1 157 157 ARG H H 1 8.4430 0.002 . 1 . . . A 157 ARG H . 19242 1 747 . 1 1 157 157 ARG C C 13 176.6000 0.005 . 1 . . . A 157 ARG C . 19242 1 748 . 1 1 157 157 ARG CA C 13 57.2600 0.010 . 1 . . . A 157 ARG CA . 19242 1 749 . 1 1 157 157 ARG CB C 13 30.4000 0.010 . 1 . . . A 157 ARG CB . 19242 1 750 . 1 1 157 157 ARG N N 15 119.0000 0.017 . 1 . . . A 157 ARG N . 19242 1 751 . 1 1 158 158 ILE H H 1 7.1090 0.002 . 1 . . . A 158 ILE H . 19242 1 752 . 1 1 158 158 ILE C C 13 173.7000 0.005 . 1 . . . A 158 ILE C . 19242 1 753 . 1 1 158 158 ILE CA C 13 59.9000 0.010 . 1 . . . A 158 ILE CA . 19242 1 754 . 1 1 158 158 ILE CB C 13 40.0700 0.010 . 1 . . . A 158 ILE CB . 19242 1 755 . 1 1 158 158 ILE N N 15 108.9000 0.017 . 1 . . . A 158 ILE N . 19242 1 756 . 1 1 159 159 ASP H H 1 8.7370 0.002 . 1 . . . A 159 ASP H . 19242 1 757 . 1 1 159 159 ASP C C 13 174.7000 0.005 . 1 . . . A 159 ASP C . 19242 1 758 . 1 1 159 159 ASP CA C 13 55.9000 0.010 . 1 . . . A 159 ASP CA . 19242 1 759 . 1 1 159 159 ASP CB C 13 43.6300 0.010 . 1 . . . A 159 ASP CB . 19242 1 760 . 1 1 159 159 ASP N N 15 119.1000 0.017 . 1 . . . A 159 ASP N . 19242 1 761 . 1 1 160 160 ALA H H 1 7.7020 0.002 . 1 . . . A 160 ALA H . 19242 1 762 . 1 1 160 160 ALA C C 13 174.9000 0.005 . 1 . . . A 160 ALA C . 19242 1 763 . 1 1 160 160 ALA CA C 13 50.1900 0.010 . 1 . . . A 160 ALA CA . 19242 1 764 . 1 1 160 160 ALA CB C 13 23.0300 0.010 . 1 . . . A 160 ALA CB . 19242 1 765 . 1 1 160 160 ALA N N 15 116.4000 0.017 . 1 . . . A 160 ALA N . 19242 1 766 . 1 1 161 161 ALA H H 1 8.9150 0.002 . 1 . . . A 161 ALA H . 19242 1 767 . 1 1 161 161 ALA C C 13 175.5000 0.005 . 1 . . . A 161 ALA C . 19242 1 768 . 1 1 161 161 ALA CA C 13 49.7300 0.010 . 1 . . . A 161 ALA CA . 19242 1 769 . 1 1 161 161 ALA CB C 13 21.1100 0.010 . 1 . . . A 161 ALA CB . 19242 1 770 . 1 1 161 161 ALA N N 15 123.4000 0.017 . 1 . . . A 161 ALA N . 19242 1 771 . 1 1 162 162 PHE H H 1 8.9710 0.002 . 1 . . . A 162 PHE H . 19242 1 772 . 1 1 162 162 PHE C C 13 172.9000 0.005 . 1 . . . A 162 PHE C . 19242 1 773 . 1 1 162 162 PHE CA C 13 54.5000 0.010 . 1 . . . A 162 PHE CA . 19242 1 774 . 1 1 162 162 PHE CB C 13 39.4000 0.010 . 1 . . . A 162 PHE CB . 19242 1 775 . 1 1 162 162 PHE N N 15 125.1000 0.017 . 1 . . . A 162 PHE N . 19242 1 776 . 1 1 163 163 GLN H H 1 7.9040 0.002 . 1 . . . A 163 GLN H . 19242 1 777 . 1 1 163 163 GLN C C 13 173.4000 0.005 . 1 . . . A 163 GLN C . 19242 1 778 . 1 1 163 163 GLN CA C 13 53.5500 0.010 . 1 . . . A 163 GLN CA . 19242 1 779 . 1 1 163 163 GLN CB C 13 34.3900 0.010 . 1 . . . A 163 GLN CB . 19242 1 780 . 1 1 163 163 GLN N N 15 124.6000 0.017 . 1 . . . A 163 GLN N . 19242 1 781 . 1 1 164 164 ASP H H 1 8.3040 0.002 . 1 . . . A 164 ASP H . 19242 1 782 . 1 1 164 164 ASP C C 13 175.8000 0.005 . 1 . . . A 164 ASP C . 19242 1 783 . 1 1 164 164 ASP CA C 13 55.5400 0.010 . 1 . . . A 164 ASP CA . 19242 1 784 . 1 1 164 164 ASP CB C 13 42.3700 0.010 . 1 . . . A 164 ASP CB . 19242 1 785 . 1 1 164 164 ASP N N 15 122.3000 0.017 . 1 . . . A 164 ASP N . 19242 1 786 . 1 1 165 165 GLU H H 1 8.6050 0.002 . 1 . . . A 165 GLU H . 19242 1 787 . 1 1 165 165 GLU C C 13 177.7000 0.005 . 1 . . . A 165 GLU C . 19242 1 788 . 1 1 165 165 GLU CA C 13 60.2300 0.010 . 1 . . . A 165 GLU CA . 19242 1 789 . 1 1 165 165 GLU CB C 13 30.0200 0.010 . 1 . . . A 165 GLU CB . 19242 1 790 . 1 1 165 165 GLU N N 15 128.6000 0.017 . 1 . . . A 165 GLU N . 19242 1 791 . 1 1 166 166 VAL H H 1 8.7480 0.002 . 1 . . . A 166 VAL H . 19242 1 792 . 1 1 166 166 VAL C C 13 178.3000 0.005 . 1 . . . A 166 VAL C . 19242 1 793 . 1 1 166 166 VAL CA C 13 66.8000 0.010 . 1 . . . A 166 VAL CA . 19242 1 794 . 1 1 166 166 VAL CB C 13 30.0700 0.010 . 1 . . . A 166 VAL CB . 19242 1 795 . 1 1 166 166 VAL N N 15 120.1000 0.017 . 1 . . . A 166 VAL N . 19242 1 796 . 1 1 167 167 ALA H H 1 8.6550 0.002 . 1 . . . A 167 ALA H . 19242 1 797 . 1 1 167 167 ALA C C 13 182.5000 0.005 . 1 . . . A 167 ALA C . 19242 1 798 . 1 1 167 167 ALA CA C 13 54.9800 0.010 . 1 . . . A 167 ALA CA . 19242 1 799 . 1 1 167 167 ALA CB C 13 17.9100 0.010 . 1 . . . A 167 ALA CB . 19242 1 800 . 1 1 167 167 ALA N N 15 123.2000 0.017 . 1 . . . A 167 ALA N . 19242 1 801 . 1 1 168 168 ALA H H 1 8.3490 0.002 . 1 . . . A 168 ALA H . 19242 1 802 . 1 1 168 168 ALA C C 13 179.8000 0.005 . 1 . . . A 168 ALA C . 19242 1 803 . 1 1 168 168 ALA CA C 13 54.1800 0.010 . 1 . . . A 168 ALA CA . 19242 1 804 . 1 1 168 168 ALA CB C 13 18.7500 0.010 . 1 . . . A 168 ALA CB . 19242 1 805 . 1 1 168 168 ALA N N 15 121.3000 0.017 . 1 . . . A 168 ALA N . 19242 1 806 . 1 1 169 169 SER H H 1 8.0580 0.002 . 1 . . . A 169 SER H . 19242 1 807 . 1 1 169 169 SER C C 13 175.7000 0.005 . 1 . . . A 169 SER C . 19242 1 808 . 1 1 169 169 SER CA C 13 61.0500 0.010 . 1 . . . A 169 SER CA . 19242 1 809 . 1 1 169 169 SER CB C 13 63.0500 0.010 . 1 . . . A 169 SER CB . 19242 1 810 . 1 1 169 169 SER N N 15 113.4000 0.017 . 1 . . . A 169 SER N . 19242 1 811 . 1 1 170 170 GLU H H 1 8.8240 0.002 . 1 . . . A 170 GLU H . 19242 1 812 . 1 1 170 170 GLU C C 13 178.8000 0.005 . 1 . . . A 170 GLU C . 19242 1 813 . 1 1 170 170 GLU CA C 13 57.6100 0.010 . 1 . . . A 170 GLU CA . 19242 1 814 . 1 1 170 170 GLU CB C 13 29.7900 0.010 . 1 . . . A 170 GLU CB . 19242 1 815 . 1 1 170 170 GLU N N 15 115.6000 0.017 . 1 . . . A 170 GLU N . 19242 1 816 . 1 1 171 171 GLY H H 1 8.1540 0.002 . 1 . . . A 171 GLY H . 19242 1 817 . 1 1 171 171 GLY C C 13 173.7000 0.005 . 1 . . . A 171 GLY C . 19242 1 818 . 1 1 171 171 GLY CA C 13 44.9700 0.010 . 1 . . . A 171 GLY CA . 19242 1 819 . 1 1 171 171 GLY N N 15 103.4000 0.017 . 1 . . . A 171 GLY N . 19242 1 820 . 1 1 172 172 PHE H H 1 7.2970 0.002 . 1 . . . A 172 PHE H . 19242 1 821 . 1 1 172 172 PHE C C 13 175.2000 0.005 . 1 . . . A 172 PHE C . 19242 1 822 . 1 1 172 172 PHE CA C 13 60.6900 0.010 . 1 . . . A 172 PHE CA . 19242 1 823 . 1 1 172 172 PHE CB C 13 40.7400 0.010 . 1 . . . A 172 PHE CB . 19242 1 824 . 1 1 172 172 PHE N N 15 120.1000 0.017 . 1 . . . A 172 PHE N . 19242 1 825 . 1 1 173 173 LEU H H 1 8.4700 0.002 . 1 . . . A 173 LEU H . 19242 1 826 . 1 1 173 173 LEU C C 13 179.0000 0.005 . 1 . . . A 173 LEU C . 19242 1 827 . 1 1 173 173 LEU CA C 13 57.6700 0.010 . 1 . . . A 173 LEU CA . 19242 1 828 . 1 1 173 173 LEU CB C 13 40.0200 0.010 . 1 . . . A 173 LEU CB . 19242 1 829 . 1 1 173 173 LEU N N 15 117.8000 0.017 . 1 . . . A 173 LEU N . 19242 1 830 . 1 1 174 174 LYS H H 1 8.0180 0.002 . 1 . . . A 174 LYS H . 19242 1 831 . 1 1 174 174 LYS C C 13 176.9000 0.005 . 1 . . . A 174 LYS C . 19242 1 832 . 1 1 174 174 LYS CA C 13 56.4500 0.010 . 1 . . . A 174 LYS CA . 19242 1 833 . 1 1 174 174 LYS CB C 13 31.7700 0.010 . 1 . . . A 174 LYS CB . 19242 1 834 . 1 1 174 174 LYS N N 15 114.6000 0.017 . 1 . . . A 174 LYS N . 19242 1 835 . 1 1 175 175 GLN H H 1 7.1510 0.002 . 1 . . . A 175 GLN H . 19242 1 836 . 1 1 175 175 GLN C C 13 176.0000 0.005 . 1 . . . A 175 GLN C . 19242 1 837 . 1 1 175 175 GLN CA C 13 52.5100 0.010 . 1 . . . A 175 GLN CA . 19242 1 838 . 1 1 175 175 GLN CB C 13 26.7400 0.010 . 1 . . . A 175 GLN CB . 19242 1 839 . 1 1 175 175 GLN N N 15 118.8000 0.017 . 1 . . . A 175 GLN N . 19242 1 840 . 1 1 176 176 PRO C C 13 179.3000 0.005 . 1 . . . A 176 PRO C . 19242 1 841 . 1 1 176 176 PRO CA C 13 66.1000 0.010 . 1 . . . A 176 PRO CA . 19242 1 842 . 1 1 176 176 PRO CB C 13 30.7200 0.010 . 1 . . . A 176 PRO CB . 19242 1 843 . 1 1 177 177 VAL H H 1 7.4800 0.002 . 1 . . . A 177 VAL H . 19242 1 844 . 1 1 177 177 VAL C C 13 175.9000 0.005 . 1 . . . A 177 VAL C . 19242 1 845 . 1 1 177 177 VAL CA C 13 62.8600 0.010 . 1 . . . A 177 VAL CA . 19242 1 846 . 1 1 177 177 VAL CB C 13 30.6600 0.010 . 1 . . . A 177 VAL CB . 19242 1 847 . 1 1 177 177 VAL N N 15 112.3000 0.017 . 1 . . . A 177 VAL N . 19242 1 848 . 1 1 178 178 GLY H H 1 7.1730 0.002 . 1 . . . A 178 GLY H . 19242 1 849 . 1 1 178 178 GLY C C 13 175.0000 0.005 . 1 . . . A 178 GLY C . 19242 1 850 . 1 1 178 178 GLY CA C 13 44.0800 0.010 . 1 . . . A 178 GLY CA . 19242 1 851 . 1 1 178 178 GLY N N 15 109.7000 0.017 . 1 . . . A 178 GLY N . 19242 1 852 . 1 1 179 179 LYS H H 1 6.9720 0.002 . 1 . . . A 179 LYS H . 19242 1 853 . 1 1 179 179 LYS C C 13 177.1000 0.005 . 1 . . . A 179 LYS C . 19242 1 854 . 1 1 179 179 LYS CA C 13 58.3600 0.010 . 1 . . . A 179 LYS CA . 19242 1 855 . 1 1 179 179 LYS CB C 13 31.2600 0.010 . 1 . . . A 179 LYS CB . 19242 1 856 . 1 1 179 179 LYS N N 15 120.9000 0.017 . 1 . . . A 179 LYS N . 19242 1 857 . 1 1 180 180 ASP H H 1 8.0360 0.002 . 1 . . . A 180 ASP H . 19242 1 858 . 1 1 180 180 ASP C C 13 173.9000 0.005 . 1 . . . A 180 ASP C . 19242 1 859 . 1 1 180 180 ASP CA C 13 53.9200 0.010 . 1 . . . A 180 ASP CA . 19242 1 860 . 1 1 180 180 ASP CB C 13 39.6900 0.010 . 1 . . . A 180 ASP CB . 19242 1 861 . 1 1 180 180 ASP N N 15 117.2000 0.017 . 1 . . . A 180 ASP N . 19242 1 862 . 1 1 181 181 TYR H H 1 7.7680 0.002 . 1 . . . A 181 TYR H . 19242 1 863 . 1 1 181 181 TYR C C 13 172.3000 0.005 . 1 . . . A 181 TYR C . 19242 1 864 . 1 1 181 181 TYR CA C 13 57.8900 0.010 . 1 . . . A 181 TYR CA . 19242 1 865 . 1 1 181 181 TYR CB C 13 41.8600 0.010 . 1 . . . A 181 TYR CB . 19242 1 866 . 1 1 181 181 TYR N N 15 120.5000 0.017 . 1 . . . A 181 TYR N . 19242 1 867 . 1 1 182 182 LYS H H 1 9.4970 0.002 . 1 . . . A 182 LYS H . 19242 1 868 . 1 1 182 182 LYS C C 13 174.9000 0.005 . 1 . . . A 182 LYS C . 19242 1 869 . 1 1 182 182 LYS CA C 13 54.3300 0.010 . 1 . . . A 182 LYS CA . 19242 1 870 . 1 1 182 182 LYS CB C 13 35.6100 0.010 . 1 . . . A 182 LYS CB . 19242 1 871 . 1 1 182 182 LYS N N 15 116.9000 0.017 . 1 . . . A 182 LYS N . 19242 1 872 . 1 1 183 183 PHE H H 1 8.4700 0.002 . 1 . . . A 183 PHE H . 19242 1 873 . 1 1 183 183 PHE C C 13 177.8000 0.005 . 1 . . . A 183 PHE C . 19242 1 874 . 1 1 183 183 PHE CA C 13 56.7800 0.010 . 1 . . . A 183 PHE CA . 19242 1 875 . 1 1 183 183 PHE CB C 13 38.3200 0.010 . 1 . . . A 183 PHE CB . 19242 1 876 . 1 1 183 183 PHE N N 15 117.9000 0.017 . 1 . . . A 183 PHE N . 19242 1 877 . 1 1 184 184 GLY H H 1 9.1070 0.002 . 1 . . . A 184 GLY H . 19242 1 878 . 1 1 184 184 GLY C C 13 173.3000 0.005 . 1 . . . A 184 GLY C . 19242 1 879 . 1 1 184 184 GLY CA C 13 46.9000 0.010 . 1 . . . A 184 GLY CA . 19242 1 880 . 1 1 184 184 GLY N N 15 113.7000 0.017 . 1 . . . A 184 GLY N . 19242 1 881 . 1 1 185 185 GLY H H 1 7.7020 0.002 . 1 . . . A 185 GLY H . 19242 1 882 . 1 1 185 185 GLY C C 13 171.1000 0.005 . 1 . . . A 185 GLY C . 19242 1 883 . 1 1 185 185 GLY CA C 13 44.5300 0.010 . 1 . . . A 185 GLY CA . 19242 1 884 . 1 1 185 185 GLY N N 15 111.0000 0.017 . 1 . . . A 185 GLY N . 19242 1 885 . 1 1 186 186 PRO C C 13 175.5000 0.005 . 1 . . . A 186 PRO C . 19242 1 886 . 1 1 186 186 PRO CA C 13 61.9200 0.010 . 1 . . . A 186 PRO CA . 19242 1 887 . 1 1 186 186 PRO CB C 13 32.6400 0.010 . 1 . . . A 186 PRO CB . 19242 1 888 . 1 1 187 187 SER H H 1 8.4520 0.002 . 1 . . . A 187 SER H . 19242 1 889 . 1 1 187 187 SER C C 13 173.5000 0.005 . 1 . . . A 187 SER C . 19242 1 890 . 1 1 187 187 SER CA C 13 57.9300 0.010 . 1 . . . A 187 SER CA . 19242 1 891 . 1 1 187 187 SER CB C 13 63.2600 0.010 . 1 . . . A 187 SER CB . 19242 1 892 . 1 1 187 187 SER N N 15 113.5000 0.017 . 1 . . . A 187 SER N . 19242 1 893 . 1 1 188 188 VAL H H 1 9.0800 0.002 . 1 . . . A 188 VAL H . 19242 1 894 . 1 1 188 188 VAL C C 13 173.9000 0.005 . 1 . . . A 188 VAL C . 19242 1 895 . 1 1 188 188 VAL CA C 13 61.8000 0.010 . 1 . . . A 188 VAL CA . 19242 1 896 . 1 1 188 188 VAL CB C 13 32.6800 0.010 . 1 . . . A 188 VAL CB . 19242 1 897 . 1 1 188 188 VAL N N 15 123.3000 0.017 . 1 . . . A 188 VAL N . 19242 1 898 . 1 1 189 189 LYS H H 1 8.1230 0.002 . 1 . . . A 189 LYS H . 19242 1 899 . 1 1 189 189 LYS C C 13 176.7000 0.005 . 1 . . . A 189 LYS C . 19242 1 900 . 1 1 189 189 LYS CA C 13 54.6800 0.010 . 1 . . . A 189 LYS CA . 19242 1 901 . 1 1 189 189 LYS CB C 13 33.7800 0.010 . 1 . . . A 189 LYS CB . 19242 1 902 . 1 1 189 189 LYS N N 15 125.2000 0.017 . 1 . . . A 189 LYS N . 19242 1 903 . 1 1 190 190 ASP H H 1 8.8230 0.002 . 1 . . . A 190 ASP H . 19242 1 904 . 1 1 190 190 ASP C C 13 175.3000 0.005 . 1 . . . A 190 ASP C . 19242 1 905 . 1 1 190 190 ASP CA C 13 55.6100 0.010 . 1 . . . A 190 ASP CA . 19242 1 906 . 1 1 190 190 ASP CB C 13 42.6200 0.010 . 1 . . . A 190 ASP CB . 19242 1 907 . 1 1 190 190 ASP N N 15 120.3000 0.017 . 1 . . . A 190 ASP N . 19242 1 908 . 1 1 191 191 GLU H H 1 9.2390 0.002 . 1 . . . A 191 GLU H . 19242 1 909 . 1 1 191 191 GLU C C 13 177.3000 0.005 . 1 . . . A 191 GLU C . 19242 1 910 . 1 1 191 191 GLU CA C 13 59.3100 0.010 . 1 . . . A 191 GLU CA . 19242 1 911 . 1 1 191 191 GLU CB C 13 28.4200 0.010 . 1 . . . A 191 GLU CB . 19242 1 912 . 1 1 191 191 GLU N N 15 129.1000 0.017 . 1 . . . A 191 GLU N . 19242 1 913 . 1 1 192 192 LYS H H 1 7.9180 0.002 . 1 . . . A 192 LYS H . 19242 1 914 . 1 1 192 192 LYS C C 13 178.2000 0.005 . 1 . . . A 192 LYS C . 19242 1 915 . 1 1 192 192 LYS CA C 13 58.1400 0.010 . 1 . . . A 192 LYS CA . 19242 1 916 . 1 1 192 192 LYS CB C 13 31.6900 0.010 . 1 . . . A 192 LYS CB . 19242 1 917 . 1 1 192 192 LYS N N 15 118.0000 0.017 . 1 . . . A 192 LYS N . 19242 1 918 . 1 1 193 193 LEU H H 1 8.3620 0.002 . 1 . . . A 193 LEU H . 19242 1 919 . 1 1 193 193 LEU C C 13 177.7000 0.005 . 1 . . . A 193 LEU C . 19242 1 920 . 1 1 193 193 LEU CA C 13 55.7900 0.010 . 1 . . . A 193 LEU CA . 19242 1 921 . 1 1 193 193 LEU CB C 13 42.3300 0.010 . 1 . . . A 193 LEU CB . 19242 1 922 . 1 1 193 193 LEU N N 15 118.2000 0.017 . 1 . . . A 193 LEU N . 19242 1 923 . 1 1 194 194 PHE H H 1 8.0360 0.002 . 1 . . . A 194 PHE H . 19242 1 924 . 1 1 194 194 PHE C C 13 178.2000 0.005 . 1 . . . A 194 PHE C . 19242 1 925 . 1 1 194 194 PHE CA C 13 54.6200 0.010 . 1 . . . A 194 PHE CA . 19242 1 926 . 1 1 194 194 PHE CB C 13 37.3900 0.010 . 1 . . . A 194 PHE CB . 19242 1 927 . 1 1 194 194 PHE N N 15 116.8000 0.017 . 1 . . . A 194 PHE N . 19242 1 928 . 1 1 195 195 GLY H H 1 7.5100 0.002 . 1 . . . A 195 GLY H . 19242 1 929 . 1 1 195 195 GLY C C 13 174.2000 0.005 . 1 . . . A 195 GLY C . 19242 1 930 . 1 1 195 195 GLY CA C 13 44.1200 0.010 . 1 . . . A 195 GLY CA . 19242 1 931 . 1 1 195 195 GLY N N 15 106.9000 0.017 . 1 . . . A 195 GLY N . 19242 1 932 . 1 1 196 196 VAL H H 1 8.0640 0.002 . 1 . . . A 196 VAL H . 19242 1 933 . 1 1 196 196 VAL C C 13 175.3000 0.005 . 1 . . . A 196 VAL C . 19242 1 934 . 1 1 196 196 VAL CA C 13 60.7200 0.010 . 1 . . . A 196 VAL CA . 19242 1 935 . 1 1 196 196 VAL CB C 13 30.6300 0.010 . 1 . . . A 196 VAL CB . 19242 1 936 . 1 1 196 196 VAL N N 15 112.4000 0.017 . 1 . . . A 196 VAL N . 19242 1 937 . 1 1 197 197 GLY H H 1 7.7880 0.002 . 1 . . . A 197 GLY H . 19242 1 938 . 1 1 197 197 GLY C C 13 172.3000 0.005 . 1 . . . A 197 GLY C . 19242 1 939 . 1 1 197 197 GLY CA C 13 43.2100 0.010 . 1 . . . A 197 GLY CA . 19242 1 940 . 1 1 197 197 GLY N N 15 108.1000 0.017 . 1 . . . A 197 GLY N . 19242 1 941 . 1 1 198 198 THR H H 1 7.7960 0.002 . 1 . . . A 198 THR H . 19242 1 942 . 1 1 198 198 THR C C 13 172.8000 0.005 . 1 . . . A 198 THR C . 19242 1 943 . 1 1 198 198 THR CA C 13 59.0900 0.010 . 1 . . . A 198 THR CA . 19242 1 944 . 1 1 198 198 THR CB C 13 71.0800 0.010 . 1 . . . A 198 THR CB . 19242 1 945 . 1 1 198 198 THR N N 15 109.2000 0.017 . 1 . . . A 198 THR N . 19242 1 946 . 1 1 199 199 GLY H H 1 7.9280 0.002 . 1 . . . A 199 GLY H . 19242 1 947 . 1 1 199 199 GLY C C 13 171.8000 0.005 . 1 . . . A 199 GLY C . 19242 1 948 . 1 1 199 199 GLY CA C 13 43.8400 0.010 . 1 . . . A 199 GLY CA . 19242 1 949 . 1 1 199 199 GLY N N 15 103.9000 0.017 . 1 . . . A 199 GLY N . 19242 1 950 . 1 1 200 200 MET H H 1 7.9710 0.002 . 1 . . . A 200 MET H . 19242 1 951 . 1 1 200 200 MET C C 13 176.2000 0.005 . 1 . . . A 200 MET C . 19242 1 952 . 1 1 200 200 MET CA C 13 55.2600 0.010 . 1 . . . A 200 MET CA . 19242 1 953 . 1 1 200 200 MET CB C 13 33.3900 0.010 . 1 . . . A 200 MET CB . 19242 1 954 . 1 1 200 200 MET N N 15 121.4000 0.017 . 1 . . . A 200 MET N . 19242 1 955 . 1 1 201 201 GLY H H 1 8.8180 0.002 . 1 . . . A 201 GLY H . 19242 1 956 . 1 1 201 201 GLY C C 13 172.0000 0.005 . 1 . . . A 201 GLY C . 19242 1 957 . 1 1 201 201 GLY CA C 13 44.5400 0.010 . 1 . . . A 201 GLY CA . 19242 1 958 . 1 1 201 201 GLY N N 15 112.2000 0.017 . 1 . . . A 201 GLY N . 19242 1 959 . 1 1 202 202 LEU H H 1 8.7670 0.002 . 1 . . . A 202 LEU H . 19242 1 960 . 1 1 202 202 LEU C C 13 176.0000 0.005 . 1 . . . A 202 LEU C . 19242 1 961 . 1 1 202 202 LEU CA C 13 53.7400 0.010 . 1 . . . A 202 LEU CA . 19242 1 962 . 1 1 202 202 LEU CB C 13 46.0100 0.010 . 1 . . . A 202 LEU CB . 19242 1 963 . 1 1 202 202 LEU N N 15 124.7000 0.017 . 1 . . . A 202 LEU N . 19242 1 964 . 1 1 203 203 ARG H H 1 10.2700 0.002 . 1 . . . A 203 ARG H . 19242 1 965 . 1 1 203 203 ARG C C 13 180.4000 0.005 . 1 . . . A 203 ARG C . 19242 1 966 . 1 1 203 203 ARG CA C 13 57.1300 0.010 . 1 . . . A 203 ARG CA . 19242 1 967 . 1 1 203 203 ARG CB C 13 29.6500 0.010 . 1 . . . A 203 ARG CB . 19242 1 968 . 1 1 203 203 ARG N N 15 121.6000 0.017 . 1 . . . A 203 ARG N . 19242 1 969 . 1 1 204 204 LYS H H 1 9.2310 0.002 . 1 . . . A 204 LYS H . 19242 1 970 . 1 1 204 204 LYS C C 13 178.2000 0.005 . 1 . . . A 204 LYS C . 19242 1 971 . 1 1 204 204 LYS CA C 13 59.5700 0.010 . 1 . . . A 204 LYS CA . 19242 1 972 . 1 1 204 204 LYS CB C 13 31.8400 0.010 . 1 . . . A 204 LYS CB . 19242 1 973 . 1 1 204 204 LYS N N 15 123.2000 0.017 . 1 . . . A 204 LYS N . 19242 1 974 . 1 1 205 205 GLU H H 1 9.0260 0.002 . 1 . . . A 205 GLU H . 19242 1 975 . 1 1 205 205 GLU C C 13 177.7000 0.005 . 1 . . . A 205 GLU C . 19242 1 976 . 1 1 205 205 GLU CA C 13 57.2300 0.010 . 1 . . . A 205 GLU CA . 19242 1 977 . 1 1 205 205 GLU CB C 13 27.7700 0.010 . 1 . . . A 205 GLU CB . 19242 1 978 . 1 1 205 205 GLU N N 15 113.8000 0.017 . 1 . . . A 205 GLU N . 19242 1 979 . 1 1 206 206 ASP H H 1 7.2530 0.002 . 1 . . . A 206 ASP H . 19242 1 980 . 1 1 206 206 ASP C C 13 177.3000 0.005 . 1 . . . A 206 ASP C . 19242 1 981 . 1 1 206 206 ASP CA C 13 53.7100 0.010 . 1 . . . A 206 ASP CA . 19242 1 982 . 1 1 206 206 ASP CB C 13 37.5300 0.010 . 1 . . . A 206 ASP CB . 19242 1 983 . 1 1 206 206 ASP N N 15 126.0000 0.017 . 1 . . . A 206 ASP N . 19242 1 984 . 1 1 207 207 ASN H H 1 7.8390 0.002 . 1 . . . A 207 ASN H . 19242 1 985 . 1 1 207 207 ASN C C 13 176.9000 0.005 . 1 . . . A 207 ASN C . 19242 1 986 . 1 1 207 207 ASN CA C 13 56.9500 0.010 . 1 . . . A 207 ASN CA . 19242 1 987 . 1 1 207 207 ASN CB C 13 38.8200 0.010 . 1 . . . A 207 ASN CB . 19242 1 988 . 1 1 207 207 ASN N N 15 120.1000 0.017 . 1 . . . A 207 ASN N . 19242 1 989 . 1 1 208 208 GLU H H 1 8.7760 0.002 . 1 . . . A 208 GLU H . 19242 1 990 . 1 1 208 208 GLU C C 13 179.9000 0.005 . 1 . . . A 208 GLU C . 19242 1 991 . 1 1 208 208 GLU CA C 13 59.8700 0.010 . 1 . . . A 208 GLU CA . 19242 1 992 . 1 1 208 208 GLU CB C 13 27.6300 0.010 . 1 . . . A 208 GLU CB . 19242 1 993 . 1 1 208 208 GLU N N 15 120.5000 0.017 . 1 . . . A 208 GLU N . 19242 1 994 . 1 1 209 209 LEU H H 1 8.3660 0.002 . 1 . . . A 209 LEU H . 19242 1 995 . 1 1 209 209 LEU C C 13 177.1000 0.005 . 1 . . . A 209 LEU C . 19242 1 996 . 1 1 209 209 LEU CA C 13 57.4000 0.010 . 1 . . . A 209 LEU CA . 19242 1 997 . 1 1 209 209 LEU CB C 13 40.6600 0.010 . 1 . . . A 209 LEU CB . 19242 1 998 . 1 1 209 209 LEU N N 15 122.9000 0.017 . 1 . . . A 209 LEU N . 19242 1 999 . 1 1 210 210 ARG H H 1 7.5820 0.002 . 1 . . . A 210 ARG H . 19242 1 1000 . 1 1 210 210 ARG C C 13 177.4000 0.005 . 1 . . . A 210 ARG C . 19242 1 1001 . 1 1 210 210 ARG CA C 13 59.9700 0.010 . 1 . . . A 210 ARG CA . 19242 1 1002 . 1 1 210 210 ARG CB C 13 30.1100 0.010 . 1 . . . A 210 ARG CB . 19242 1 1003 . 1 1 210 210 ARG N N 15 119.1000 0.017 . 1 . . . A 210 ARG N . 19242 1 1004 . 1 1 211 211 GLU H H 1 8.4070 0.002 . 1 . . . A 211 GLU H . 19242 1 1005 . 1 1 211 211 GLU C C 13 179.8000 0.005 . 1 . . . A 211 GLU C . 19242 1 1006 . 1 1 211 211 GLU CA C 13 59.1500 0.010 . 1 . . . A 211 GLU CA . 19242 1 1007 . 1 1 211 211 GLU CB C 13 28.6000 0.010 . 1 . . . A 211 GLU CB . 19242 1 1008 . 1 1 211 211 GLU N N 15 116.2000 0.017 . 1 . . . A 211 GLU N . 19242 1 1009 . 1 1 212 212 ALA H H 1 8.1280 0.002 . 1 . . . A 212 ALA H . 19242 1 1010 . 1 1 212 212 ALA C C 13 181.3000 0.005 . 1 . . . A 212 ALA C . 19242 1 1011 . 1 1 212 212 ALA CA C 13 54.8100 0.010 . 1 . . . A 212 ALA CA . 19242 1 1012 . 1 1 212 212 ALA CB C 13 17.1700 0.010 . 1 . . . A 212 ALA CB . 19242 1 1013 . 1 1 212 212 ALA N N 15 123.5000 0.017 . 1 . . . A 212 ALA N . 19242 1 1014 . 1 1 213 213 LEU H H 1 8.3640 0.002 . 1 . . . A 213 LEU H . 19242 1 1015 . 1 1 213 213 LEU C C 13 178.4000 0.005 . 1 . . . A 213 LEU C . 19242 1 1016 . 1 1 213 213 LEU CA C 13 57.7100 0.010 . 1 . . . A 213 LEU CA . 19242 1 1017 . 1 1 213 213 LEU CB C 13 41.4500 0.010 . 1 . . . A 213 LEU CB . 19242 1 1018 . 1 1 213 213 LEU N N 15 121.2000 0.017 . 1 . . . A 213 LEU N . 19242 1 1019 . 1 1 214 214 ASN H H 1 8.4350 0.002 . 1 . . . A 214 ASN H . 19242 1 1020 . 1 1 214 214 ASN C C 13 179.7000 0.005 . 1 . . . A 214 ASN C . 19242 1 1021 . 1 1 214 214 ASN CA C 13 55.2600 0.010 . 1 . . . A 214 ASN CA . 19242 1 1022 . 1 1 214 214 ASN CB C 13 37.1200 0.010 . 1 . . . A 214 ASN CB . 19242 1 1023 . 1 1 214 214 ASN N N 15 119.2000 0.017 . 1 . . . A 214 ASN N . 19242 1 1024 . 1 1 215 215 LYS H H 1 8.0800 0.002 . 1 . . . A 215 LYS H . 19242 1 1025 . 1 1 215 215 LYS C C 13 178.4000 0.005 . 1 . . . A 215 LYS C . 19242 1 1026 . 1 1 215 215 LYS CA C 13 59.0900 0.010 . 1 . . . A 215 LYS CA . 19242 1 1027 . 1 1 215 215 LYS CB C 13 31.7400 0.010 . 1 . . . A 215 LYS CB . 19242 1 1028 . 1 1 215 215 LYS N N 15 123.8000 0.017 . 1 . . . A 215 LYS N . 19242 1 1029 . 1 1 216 216 ALA H H 1 7.9350 0.002 . 1 . . . A 216 ALA H . 19242 1 1030 . 1 1 216 216 ALA C C 13 179.5000 0.005 . 1 . . . A 216 ALA C . 19242 1 1031 . 1 1 216 216 ALA CA C 13 54.1400 0.010 . 1 . . . A 216 ALA CA . 19242 1 1032 . 1 1 216 216 ALA CB C 13 18.7000 0.010 . 1 . . . A 216 ALA CB . 19242 1 1033 . 1 1 216 216 ALA N N 15 122.2000 0.017 . 1 . . . A 216 ALA N . 19242 1 1034 . 1 1 217 217 PHE H H 1 8.9160 0.002 . 1 . . . A 217 PHE H . 19242 1 1035 . 1 1 217 217 PHE C C 13 177.2000 0.005 . 1 . . . A 217 PHE C . 19242 1 1036 . 1 1 217 217 PHE CA C 13 61.3900 0.010 . 1 . . . A 217 PHE CA . 19242 1 1037 . 1 1 217 217 PHE CB C 13 38.0000 0.010 . 1 . . . A 217 PHE CB . 19242 1 1038 . 1 1 217 217 PHE N N 15 119.5000 0.017 . 1 . . . A 217 PHE N . 19242 1 1039 . 1 1 218 218 ALA H H 1 7.9560 0.002 . 1 . . . A 218 ALA H . 19242 1 1040 . 1 1 218 218 ALA C C 13 182.1000 0.005 . 1 . . . A 218 ALA C . 19242 1 1041 . 1 1 218 218 ALA CA C 13 54.8100 0.010 . 1 . . . A 218 ALA CA . 19242 1 1042 . 1 1 218 218 ALA CB C 13 16.6500 0.010 . 1 . . . A 218 ALA CB . 19242 1 1043 . 1 1 218 218 ALA N N 15 121.3000 0.017 . 1 . . . A 218 ALA N . 19242 1 1044 . 1 1 219 219 GLU H H 1 7.9520 0.002 . 1 . . . A 219 GLU H . 19242 1 1045 . 1 1 219 219 GLU C C 13 178.6000 0.005 . 1 . . . A 219 GLU C . 19242 1 1046 . 1 1 219 219 GLU CA C 13 59.0400 0.010 . 1 . . . A 219 GLU CA . 19242 1 1047 . 1 1 219 219 GLU CB C 13 28.3200 0.010 . 1 . . . A 219 GLU CB . 19242 1 1048 . 1 1 219 219 GLU N N 15 120.0000 0.017 . 1 . . . A 219 GLU N . 19242 1 1049 . 1 1 220 220 MET H H 1 8.1900 0.002 . 1 . . . A 220 MET H . 19242 1 1050 . 1 1 220 220 MET C C 13 179.0000 0.005 . 1 . . . A 220 MET C . 19242 1 1051 . 1 1 220 220 MET CA C 13 57.4300 0.010 . 1 . . . A 220 MET CA . 19242 1 1052 . 1 1 220 220 MET CB C 13 32.6200 0.010 . 1 . . . A 220 MET CB . 19242 1 1053 . 1 1 220 220 MET N N 15 120.9000 0.017 . 1 . . . A 220 MET N . 19242 1 1054 . 1 1 221 221 ARG H H 1 7.7620 0.002 . 1 . . . A 221 ARG H . 19242 1 1055 . 1 1 221 221 ARG C C 13 179.3000 0.005 . 1 . . . A 221 ARG C . 19242 1 1056 . 1 1 221 221 ARG CA C 13 58.7100 0.010 . 1 . . . A 221 ARG CA . 19242 1 1057 . 1 1 221 221 ARG CB C 13 27.4800 0.010 . 1 . . . A 221 ARG CB . 19242 1 1058 . 1 1 221 221 ARG N N 15 119.2000 0.017 . 1 . . . A 221 ARG N . 19242 1 1059 . 1 1 222 222 ALA H H 1 7.8380 0.002 . 1 . . . A 222 ALA H . 19242 1 1060 . 1 1 222 222 ALA C C 13 179.3000 0.005 . 1 . . . A 222 ALA C . 19242 1 1061 . 1 1 222 222 ALA CA C 13 54.1800 0.010 . 1 . . . A 222 ALA CA . 19242 1 1062 . 1 1 222 222 ALA CB C 13 18.0300 0.010 . 1 . . . A 222 ALA CB . 19242 1 1063 . 1 1 222 222 ALA N N 15 122.5000 0.017 . 1 . . . A 222 ALA N . 19242 1 1064 . 1 1 223 223 ASP H H 1 8.0910 0.002 . 1 . . . A 223 ASP H . 19242 1 1065 . 1 1 223 223 ASP C C 13 177.9000 0.005 . 1 . . . A 223 ASP C . 19242 1 1066 . 1 1 223 223 ASP CA C 13 53.0200 0.010 . 1 . . . A 223 ASP CA . 19242 1 1067 . 1 1 223 223 ASP CB C 13 39.5700 0.010 . 1 . . . A 223 ASP CB . 19242 1 1068 . 1 1 223 223 ASP N N 15 115.1000 0.017 . 1 . . . A 223 ASP N . 19242 1 1069 . 1 1 224 224 GLY H H 1 7.1990 0.002 . 1 . . . A 224 GLY H . 19242 1 1070 . 1 1 224 224 GLY C C 13 176.0000 0.005 . 1 . . . A 224 GLY C . 19242 1 1071 . 1 1 224 224 GLY CA C 13 45.0700 0.010 . 1 . . . A 224 GLY CA . 19242 1 1072 . 1 1 224 224 GLY N N 15 106.7000 0.017 . 1 . . . A 224 GLY N . 19242 1 1073 . 1 1 225 225 THR H H 1 9.0950 0.002 . 1 . . . A 225 THR H . 19242 1 1074 . 1 1 225 225 THR C C 13 175.7000 0.005 . 1 . . . A 225 THR C . 19242 1 1075 . 1 1 225 225 THR CA C 13 67.6100 0.010 . 1 . . . A 225 THR CA . 19242 1 1076 . 1 1 225 225 THR CB C 13 66.8400 0.010 . 1 . . . A 225 THR CB . 19242 1 1077 . 1 1 225 225 THR N N 15 122.4000 0.017 . 1 . . . A 225 THR N . 19242 1 1078 . 1 1 226 226 TYR H H 1 8.0400 0.002 . 1 . . . A 226 TYR H . 19242 1 1079 . 1 1 226 226 TYR C C 13 176.0000 0.005 . 1 . . . A 226 TYR C . 19242 1 1080 . 1 1 226 226 TYR CA C 13 62.5300 0.010 . 1 . . . A 226 TYR CA . 19242 1 1081 . 1 1 226 226 TYR CB C 13 38.4100 0.010 . 1 . . . A 226 TYR CB . 19242 1 1082 . 1 1 226 226 TYR N N 15 121.5000 0.017 . 1 . . . A 226 TYR N . 19242 1 1083 . 1 1 227 227 GLU H H 1 8.1530 0.002 . 1 . . . A 227 GLU H . 19242 1 1084 . 1 1 227 227 GLU C C 13 178.2000 0.005 . 1 . . . A 227 GLU C . 19242 1 1085 . 1 1 227 227 GLU CA C 13 58.9400 0.010 . 1 . . . A 227 GLU CA . 19242 1 1086 . 1 1 227 227 GLU CB C 13 28.8100 0.010 . 1 . . . A 227 GLU CB . 19242 1 1087 . 1 1 227 227 GLU N N 15 118.2000 0.017 . 1 . . . A 227 GLU N . 19242 1 1088 . 1 1 228 228 LYS H H 1 7.5580 0.002 . 1 . . . A 228 LYS H . 19242 1 1089 . 1 1 228 228 LYS C C 13 179.5000 0.005 . 1 . . . A 228 LYS C . 19242 1 1090 . 1 1 228 228 LYS CA C 13 59.2600 0.010 . 1 . . . A 228 LYS CA . 19242 1 1091 . 1 1 228 228 LYS CB C 13 31.5200 0.010 . 1 . . . A 228 LYS CB . 19242 1 1092 . 1 1 228 228 LYS N N 15 119.1000 0.017 . 1 . . . A 228 LYS N . 19242 1 1093 . 1 1 229 229 LEU H H 1 8.0550 0.002 . 1 . . . A 229 LEU H . 19242 1 1094 . 1 1 229 229 LEU C C 13 179.3000 0.005 . 1 . . . A 229 LEU C . 19242 1 1095 . 1 1 229 229 LEU CA C 13 56.9700 0.010 . 1 . . . A 229 LEU CA . 19242 1 1096 . 1 1 229 229 LEU CB C 13 41.5200 0.010 . 1 . . . A 229 LEU CB . 19242 1 1097 . 1 1 229 229 LEU N N 15 119.1000 0.017 . 1 . . . A 229 LEU N . 19242 1 1098 . 1 1 230 230 ALA H H 1 8.9010 0.002 . 1 . . . A 230 ALA H . 19242 1 1099 . 1 1 230 230 ALA C C 13 180.5000 0.005 . 1 . . . A 230 ALA C . 19242 1 1100 . 1 1 230 230 ALA CA C 13 54.8900 0.010 . 1 . . . A 230 ALA CA . 19242 1 1101 . 1 1 230 230 ALA CB C 13 17.5700 0.010 . 1 . . . A 230 ALA CB . 19242 1 1102 . 1 1 230 230 ALA N N 15 121.2000 0.017 . 1 . . . A 230 ALA N . 19242 1 1103 . 1 1 231 231 LYS H H 1 8.0620 0.002 . 1 . . . A 231 LYS H . 19242 1 1104 . 1 1 231 231 LYS C C 13 177.7000 0.005 . 1 . . . A 231 LYS C . 19242 1 1105 . 1 1 231 231 LYS CA C 13 57.3700 0.010 . 1 . . . A 231 LYS CA . 19242 1 1106 . 1 1 231 231 LYS CB C 13 31.3300 0.010 . 1 . . . A 231 LYS CB . 19242 1 1107 . 1 1 231 231 LYS N N 15 117.2000 0.017 . 1 . . . A 231 LYS N . 19242 1 1108 . 1 1 232 232 LYS H H 1 7.0530 0.002 . 1 . . . A 232 LYS H . 19242 1 1109 . 1 1 232 232 LYS C C 13 176.8000 0.005 . 1 . . . A 232 LYS C . 19242 1 1110 . 1 1 232 232 LYS CA C 13 57.8900 0.010 . 1 . . . A 232 LYS CA . 19242 1 1111 . 1 1 232 232 LYS CB C 13 31.1500 0.010 . 1 . . . A 232 LYS CB . 19242 1 1112 . 1 1 232 232 LYS N N 15 117.6000 0.017 . 1 . . . A 232 LYS N . 19242 1 1113 . 1 1 233 233 TYR H H 1 7.0130 0.002 . 1 . . . A 233 TYR H . 19242 1 1114 . 1 1 233 233 TYR C C 13 175.1000 0.005 . 1 . . . A 233 TYR C . 19242 1 1115 . 1 1 233 233 TYR CA C 13 58.1100 0.010 . 1 . . . A 233 TYR CA . 19242 1 1116 . 1 1 233 233 TYR CB C 13 39.3600 0.010 . 1 . . . A 233 TYR CB . 19242 1 1117 . 1 1 233 233 TYR N N 15 114.0000 0.017 . 1 . . . A 233 TYR N . 19242 1 1118 . 1 1 234 234 PHE H H 1 8.0380 0.002 . 1 . . . A 234 PHE H . 19242 1 1119 . 1 1 234 234 PHE C C 13 175.8000 0.005 . 1 . . . A 234 PHE C . 19242 1 1120 . 1 1 234 234 PHE CA C 13 54.9200 0.010 . 1 . . . A 234 PHE CA . 19242 1 1121 . 1 1 234 234 PHE CB C 13 41.2600 0.010 . 1 . . . A 234 PHE CB . 19242 1 1122 . 1 1 234 234 PHE N N 15 116.4000 0.017 . 1 . . . A 234 PHE N . 19242 1 1123 . 1 1 235 235 ASP H H 1 8.8790 0.002 . 1 . . . A 235 ASP H . 19242 1 1124 . 1 1 235 235 ASP C C 13 174.5000 0.005 . 1 . . . A 235 ASP C . 19242 1 1125 . 1 1 235 235 ASP CA C 13 52.6800 0.010 . 1 . . . A 235 ASP CA . 19242 1 1126 . 1 1 235 235 ASP CB C 13 39.8600 0.010 . 1 . . . A 235 ASP CB . 19242 1 1127 . 1 1 235 235 ASP N N 15 123.0000 0.017 . 1 . . . A 235 ASP N . 19242 1 1128 . 1 1 236 236 PHE H H 1 6.7930 0.002 . 1 . . . A 236 PHE H . 19242 1 1129 . 1 1 236 236 PHE C C 13 173.6000 0.005 . 1 . . . A 236 PHE C . 19242 1 1130 . 1 1 236 236 PHE CA C 13 53.9500 0.010 . 1 . . . A 236 PHE CA . 19242 1 1131 . 1 1 236 236 PHE CB C 13 39.8600 0.010 . 1 . . . A 236 PHE CB . 19242 1 1132 . 1 1 236 236 PHE N N 15 115.5000 0.017 . 1 . . . A 236 PHE N . 19242 1 1133 . 1 1 237 237 ASP H H 1 8.8310 0.002 . 1 . . . A 237 ASP H . 19242 1 1134 . 1 1 237 237 ASP C C 13 175.8000 0.005 . 1 . . . A 237 ASP C . 19242 1 1135 . 1 1 237 237 ASP CA C 13 52.9800 0.010 . 1 . . . A 237 ASP CA . 19242 1 1136 . 1 1 237 237 ASP CB C 13 39.2100 0.010 . 1 . . . A 237 ASP CB . 19242 1 1137 . 1 1 237 237 ASP N N 15 119.7000 0.017 . 1 . . . A 237 ASP N . 19242 1 1138 . 1 1 238 238 VAL H H 1 7.3760 0.002 . 1 . . . A 238 VAL H . 19242 1 1139 . 1 1 238 238 VAL C C 13 175.2000 0.005 . 1 . . . A 238 VAL C . 19242 1 1140 . 1 1 238 238 VAL CA C 13 61.8400 0.010 . 1 . . . A 238 VAL CA . 19242 1 1141 . 1 1 238 238 VAL CB C 13 32.5000 0.010 . 1 . . . A 238 VAL CB . 19242 1 1142 . 1 1 238 238 VAL N N 15 129.9000 0.017 . 1 . . . A 238 VAL N . 19242 1 1143 . 1 1 239 239 TYR H H 1 8.3140 0.002 . 1 . . . A 239 TYR H . 19242 1 1144 . 1 1 239 239 TYR C C 13 176.5000 0.005 . 1 . . . A 239 TYR C . 19242 1 1145 . 1 1 239 239 TYR CA C 13 61.9200 0.010 . 1 . . . A 239 TYR CA . 19242 1 1146 . 1 1 239 239 TYR CB C 13 38.0100 0.010 . 1 . . . A 239 TYR CB . 19242 1 1147 . 1 1 239 239 TYR N N 15 123.5000 0.017 . 1 . . . A 239 TYR N . 19242 1 1148 . 1 1 240 240 GLY H H 1 7.4280 0.002 . 1 . . . A 240 GLY H . 19242 1 1149 . 1 1 240 240 GLY C C 13 174.6000 0.005 . 1 . . . A 240 GLY C . 19242 1 1150 . 1 1 240 240 GLY CA C 13 45.9300 0.010 . 1 . . . A 240 GLY CA . 19242 1 1151 . 1 1 240 240 GLY N N 15 104.1000 0.017 . 1 . . . A 240 GLY N . 19242 1 1152 . 1 1 241 241 GLY H H 1 8.0310 0.002 . 1 . . . A 241 GLY H . 19242 1 1153 . 1 1 241 241 GLY C C 13 179.2000 0.005 . 1 . . . A 241 GLY C . 19242 1 1154 . 1 1 241 241 GLY CA C 13 45.7200 0.010 . 1 . . . A 241 GLY CA . 19242 1 1155 . 1 1 241 241 GLY N N 15 115.7000 0.017 . 1 . . . A 241 GLY N . 19242 1 stop_ save_