data_16265 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16265 _Entry.Title ; Complete backbone 15N, 13C and 1H resonance assignments for the oxidized form of the N-terminal domain of AhpF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-27 _Entry.Accession_date 2009-04-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'backbone chemical shift assignments' _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 Andrea Hall . . . 16265 2 David Horita . . . 16265 3 Elisar Barbar . . . 16265 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Wake Forest University School of Medicine' . 16265 1 . 'Oregon State University' . 16265 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16265 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 16265 '15N chemical shifts' 188 16265 '1H chemical shifts' 188 16265 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 . . 2009-06-24 2009-04-27 update BMRB 'complete entry citation' 16265 1 . . 2009-05-29 2009-04-27 original author 'original release' 16265 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15264 'Assignments for the reduced form of the N-terminal domain of AhpF' 16265 PDB 1HYU . 16265 PDB 1ZYN . 16265 PDB 1ZYP . 16265 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16265 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19459661 _Citation.Full_citation . _Citation.Title 'Redox Dependent Dynamics of a Dual Thioredoxin-Fold Protein: Evolution of Specialized Folds' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 48 _Citation.Journal_issue 25 _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 5984 _Citation.Page_last 5993 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrea Hall . . . 16265 1 2 Derek Parsonage . . . 16265 1 3 David Horita . A. . 16265 1 4 'P. Andrew' Karplus . . . 16265 1 5 Leslie Poole . B. . 16265 1 6 Elisar Barbar . J. . 16265 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AhpF 16265 1 'alkyl hydroperoxide reductase' 16265 1 'N-terminal domain' 16265 1 'oxidized disulfide' 16265 1 peroxiredoxin 16265 1 'protein disulfide oxidoreductase' 16265 1 thioredoxin 16265 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16265 _Assembly.ID 1 _Assembly.Name 'N-terminal domain monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 44635.20 _Assembly.Enzyme_commission_number 1.6.4.- _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 'N-terminal domain' 1 $N-terminal_domain_of_AhpF A . yes native no no . . . 16265 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 129 129 SG . 1 . 1 CYS 132 132 SG . . . . . . . . . . 16265 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1HYU . . X-ray 2.0 'Complete AhpF protein' . 16265 1 yes PDB 1ZYN . . X-ray 2.3 'Same construct, same oxidation state' . 16265 1 yes PDB 1ZYP . . X-ray 2.4 'Reduced form of same construct' 'Synchrotron reduced form of the N-terminal domain of AhpF' 16265 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-terminal_domain_of_AhpF _Entity.Sf_category entity _Entity.Sf_framecode N-terminal_domain_of_AhpF _Entity.Entry_ID 16265 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-terminal_domain_of_AhpF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLDTNMKTQLRAYLEKLTKP VELIATLDDSAKSAEIKELL AEIAELSDKVTFKEDNTLPV RKPSFLITNPGSQQGPRFAG SPLGHEFTSLVLALLWTGGH PSKEAQSLLEQIRDIDGDFE FETYYSLSCHNCPDVVQALN LMAVLNPRIKHTAIDGGTFQ NEITERNVMGVPAVFVNGKE FGQGRMTLTEIVAKVDTGAE KR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The N-terminal domain contains residues 1 through 202 of the alkyl hydroperoxide subunit F (AhpF) protein. This construct has previously been referred to as AhpFn. ; _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 202 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 1.6.4.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 44635.20 _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 yes GB AAA16432 . . . . . . . . . . . . . . . . 16265 1 2 yes GB AAL19560 . . . . . . . . . . . . . . . . 16265 1 3 yes GB AAO69861 . . . . . . . . . . . . . . . . 16265 1 4 yes GB AAV78017 . . . . . . . . . . . . . . . . 16265 1 5 yes GB AAX64546 . . . . . . . . . . . . . . . . 16265 1 6 yes PIR AC0577 . . . . . . . . . . . . . . . . 16265 1 7 no BMRB 15264 . ahpfn . . . . . 100.00 202 100.00 100.00 2.35e-146 . . . . 16265 1 8 no PDB 1HYU . "Crystal Structure Of Intact Ahpf" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 9 no PDB 1ZYN . "Oxidized Structure Of The N-Terminal Domain Of Salmonella Typhimurium Ahpf" . . . . . 100.00 202 100.00 100.00 2.35e-146 . . . . 16265 1 10 no PDB 1ZYP . "Synchrotron Reduced Form Of The N-Terminal Domain Of Salmonella Typhimurium Ahpf" . . . . . 100.00 202 100.00 100.00 2.35e-146 . . . . 16265 1 11 no DBJ BAA02486 . "alkyl hydroperoxide reductase large subunit [Escherichia coli W3110]" . . . . . 80.20 162 96.91 98.77 1.50e-111 . . . . 16265 1 12 no DBJ BAH62352 . "alkyl hydroperoxide reductase FAD/NAD(P)-binding subunit [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 521 97.52 99.01 4.38e-139 . . . . 16265 1 13 no DBJ BAJ35614 . "alkyl hydroperoxide reductase subunit F [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 14 no DBJ BAP06377 . "alkyl hydroperoxide reductase F52A protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 15 no DBJ GAL49470 . "alkyl hydroperoxide reductase subunit F [Citrobacter farmeri GTC 1319]" . . . . . 100.00 521 97.03 99.01 1.60e-138 . . . . 16265 1 16 no EMBL CAD05085 . "alkyl hydroperoxide reductase F52A protein (subunit F) [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 521 100.00 100.00 8.57e-143 . . . . 16265 1 17 no EMBL CAR32166 . "alkyl hydroperoxide reductase F52A protein (subunit F) [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 100.00 521 100.00 100.00 7.69e-143 . . . . 16265 1 18 no EMBL CAR36509 . "alkyl hydroperoxide reductase F52A protein (subunit F) [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" . . . . . 100.00 521 100.00 100.00 7.53e-143 . . . . 16265 1 19 no EMBL CAR60178 . "alkyl hydroperoxide reductase F52A protein (subunit F) [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" . . . . . 100.00 521 99.50 100.00 3.37e-142 . . . . 16265 1 20 no EMBL CBG23683 . "alkyl hydroperoxide reductase F52A protein (subunit F) [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 21 no GB AAA16432 . "alkyl hydroperoxide reductase [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 22 no GB AAL19560 . "alkyl hydroperoxide reductase, F52a subunit [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 23 no GB AAO69861 . "alkyl hydroperoxide reductase F52A protein subunit F [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 100.00 521 100.00 100.00 8.57e-143 . . . . 16265 1 24 no GB AAV78017 . "alkyl hydroperoxide reductase F52A protein (subunit F) [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" . . . . . 100.00 521 99.50 100.00 3.37e-142 . . . . 16265 1 25 no GB AAX64546 . "alkyl hydroperoxide reductase, F52a subunit; detoxification of hydroperoxides [Salmonella enterica subsp. enterica serovar Chol" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 26 no PIR AC0577 . "alkyl hydroperoxide reductase F52A protein (chain F) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT1" . . . . . 100.00 521 100.00 100.00 8.57e-143 . . . . 16265 1 27 no REF NP_455185 . "alkyl hydroperoxide reductase F52A protein subunit F [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 521 100.00 100.00 8.57e-143 . . . . 16265 1 28 no REF NP_459601 . "alkyl hydroperoxide reductase subunit F [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 29 no REF WP_000886405 . "alkyl hydroperoxide reductase subunit F [Salmonella enterica]" . . . . . 100.00 521 98.51 99.01 3.13e-140 . . . . 16265 1 30 no REF WP_000887631 . "alkyl hydroperoxide reductase subunit F [Salmonella enterica]" . . . . . 100.00 521 99.50 100.00 2.41e-142 . . . . 16265 1 31 no REF WP_000887632 . "alkyl hydroperoxide reductase subunit F [Salmonella enterica]" . . . . . 100.00 521 99.01 99.50 7.54e-141 . . . . 16265 1 32 no SP P19480 . "RecName: Full=Alkyl hydroperoxide reductase subunit F; AltName: Full=Alkyl hydroperoxide reductase F52A protein" . . . . . 100.00 521 100.00 100.00 7.77e-143 . . . . 16265 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Detoxification of hydroperoxides' 16265 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16265 1 2 . LEU . 16265 1 3 . ASP . 16265 1 4 . THR . 16265 1 5 . ASN . 16265 1 6 . MET . 16265 1 7 . LYS . 16265 1 8 . THR . 16265 1 9 . GLN . 16265 1 10 . LEU . 16265 1 11 . ARG . 16265 1 12 . ALA . 16265 1 13 . TYR . 16265 1 14 . LEU . 16265 1 15 . GLU . 16265 1 16 . LYS . 16265 1 17 . LEU . 16265 1 18 . THR . 16265 1 19 . LYS . 16265 1 20 . PRO . 16265 1 21 . VAL . 16265 1 22 . GLU . 16265 1 23 . LEU . 16265 1 24 . ILE . 16265 1 25 . ALA . 16265 1 26 . THR . 16265 1 27 . LEU . 16265 1 28 . ASP . 16265 1 29 . ASP . 16265 1 30 . SER . 16265 1 31 . ALA . 16265 1 32 . LYS . 16265 1 33 . SER . 16265 1 34 . ALA . 16265 1 35 . GLU . 16265 1 36 . ILE . 16265 1 37 . LYS . 16265 1 38 . GLU . 16265 1 39 . LEU . 16265 1 40 . LEU . 16265 1 41 . ALA . 16265 1 42 . GLU . 16265 1 43 . ILE . 16265 1 44 . ALA . 16265 1 45 . GLU . 16265 1 46 . LEU . 16265 1 47 . SER . 16265 1 48 . ASP . 16265 1 49 . LYS . 16265 1 50 . VAL . 16265 1 51 . THR . 16265 1 52 . PHE . 16265 1 53 . LYS . 16265 1 54 . GLU . 16265 1 55 . ASP . 16265 1 56 . ASN . 16265 1 57 . THR . 16265 1 58 . LEU . 16265 1 59 . PRO . 16265 1 60 . VAL . 16265 1 61 . ARG . 16265 1 62 . LYS . 16265 1 63 . PRO . 16265 1 64 . SER . 16265 1 65 . PHE . 16265 1 66 . LEU . 16265 1 67 . ILE . 16265 1 68 . THR . 16265 1 69 . ASN . 16265 1 70 . PRO . 16265 1 71 . GLY . 16265 1 72 . SER . 16265 1 73 . GLN . 16265 1 74 . GLN . 16265 1 75 . GLY . 16265 1 76 . PRO . 16265 1 77 . ARG . 16265 1 78 . PHE . 16265 1 79 . ALA . 16265 1 80 . GLY . 16265 1 81 . SER . 16265 1 82 . PRO . 16265 1 83 . LEU . 16265 1 84 . GLY . 16265 1 85 . HIS . 16265 1 86 . GLU . 16265 1 87 . PHE . 16265 1 88 . THR . 16265 1 89 . SER . 16265 1 90 . LEU . 16265 1 91 . VAL . 16265 1 92 . LEU . 16265 1 93 . ALA . 16265 1 94 . LEU . 16265 1 95 . LEU . 16265 1 96 . TRP . 16265 1 97 . THR . 16265 1 98 . GLY . 16265 1 99 . GLY . 16265 1 100 . HIS . 16265 1 101 . PRO . 16265 1 102 . SER . 16265 1 103 . LYS . 16265 1 104 . GLU . 16265 1 105 . ALA . 16265 1 106 . GLN . 16265 1 107 . SER . 16265 1 108 . LEU . 16265 1 109 . LEU . 16265 1 110 . GLU . 16265 1 111 . GLN . 16265 1 112 . ILE . 16265 1 113 . ARG . 16265 1 114 . ASP . 16265 1 115 . ILE . 16265 1 116 . ASP . 16265 1 117 . GLY . 16265 1 118 . ASP . 16265 1 119 . PHE . 16265 1 120 . GLU . 16265 1 121 . PHE . 16265 1 122 . GLU . 16265 1 123 . THR . 16265 1 124 . TYR . 16265 1 125 . TYR . 16265 1 126 . SER . 16265 1 127 . LEU . 16265 1 128 . SER . 16265 1 129 . CYS . 16265 1 130 . HIS . 16265 1 131 . ASN . 16265 1 132 . CYS . 16265 1 133 . PRO . 16265 1 134 . ASP . 16265 1 135 . VAL . 16265 1 136 . VAL . 16265 1 137 . GLN . 16265 1 138 . ALA . 16265 1 139 . LEU . 16265 1 140 . ASN . 16265 1 141 . LEU . 16265 1 142 . MET . 16265 1 143 . ALA . 16265 1 144 . VAL . 16265 1 145 . LEU . 16265 1 146 . ASN . 16265 1 147 . PRO . 16265 1 148 . ARG . 16265 1 149 . ILE . 16265 1 150 . LYS . 16265 1 151 . HIS . 16265 1 152 . THR . 16265 1 153 . ALA . 16265 1 154 . ILE . 16265 1 155 . ASP . 16265 1 156 . GLY . 16265 1 157 . GLY . 16265 1 158 . THR . 16265 1 159 . PHE . 16265 1 160 . GLN . 16265 1 161 . ASN . 16265 1 162 . GLU . 16265 1 163 . ILE . 16265 1 164 . THR . 16265 1 165 . GLU . 16265 1 166 . ARG . 16265 1 167 . ASN . 16265 1 168 . VAL . 16265 1 169 . MET . 16265 1 170 . GLY . 16265 1 171 . VAL . 16265 1 172 . PRO . 16265 1 173 . ALA . 16265 1 174 . VAL . 16265 1 175 . PHE . 16265 1 176 . VAL . 16265 1 177 . ASN . 16265 1 178 . GLY . 16265 1 179 . LYS . 16265 1 180 . GLU . 16265 1 181 . PHE . 16265 1 182 . GLY . 16265 1 183 . GLN . 16265 1 184 . GLY . 16265 1 185 . ARG . 16265 1 186 . MET . 16265 1 187 . THR . 16265 1 188 . LEU . 16265 1 189 . THR . 16265 1 190 . GLU . 16265 1 191 . ILE . 16265 1 192 . VAL . 16265 1 193 . ALA . 16265 1 194 . LYS . 16265 1 195 . VAL . 16265 1 196 . ASP . 16265 1 197 . THR . 16265 1 198 . GLY . 16265 1 199 . ALA . 16265 1 200 . GLU . 16265 1 201 . LYS . 16265 1 202 . ARG . 16265 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16265 1 . LEU 2 2 16265 1 . ASP 3 3 16265 1 . THR 4 4 16265 1 . ASN 5 5 16265 1 . MET 6 6 16265 1 . LYS 7 7 16265 1 . THR 8 8 16265 1 . GLN 9 9 16265 1 . LEU 10 10 16265 1 . ARG 11 11 16265 1 . ALA 12 12 16265 1 . TYR 13 13 16265 1 . LEU 14 14 16265 1 . GLU 15 15 16265 1 . LYS 16 16 16265 1 . LEU 17 17 16265 1 . THR 18 18 16265 1 . LYS 19 19 16265 1 . PRO 20 20 16265 1 . VAL 21 21 16265 1 . GLU 22 22 16265 1 . LEU 23 23 16265 1 . ILE 24 24 16265 1 . ALA 25 25 16265 1 . THR 26 26 16265 1 . LEU 27 27 16265 1 . ASP 28 28 16265 1 . ASP 29 29 16265 1 . SER 30 30 16265 1 . ALA 31 31 16265 1 . LYS 32 32 16265 1 . SER 33 33 16265 1 . ALA 34 34 16265 1 . GLU 35 35 16265 1 . ILE 36 36 16265 1 . LYS 37 37 16265 1 . GLU 38 38 16265 1 . LEU 39 39 16265 1 . LEU 40 40 16265 1 . ALA 41 41 16265 1 . GLU 42 42 16265 1 . ILE 43 43 16265 1 . ALA 44 44 16265 1 . GLU 45 45 16265 1 . LEU 46 46 16265 1 . SER 47 47 16265 1 . ASP 48 48 16265 1 . LYS 49 49 16265 1 . VAL 50 50 16265 1 . THR 51 51 16265 1 . PHE 52 52 16265 1 . LYS 53 53 16265 1 . GLU 54 54 16265 1 . ASP 55 55 16265 1 . ASN 56 56 16265 1 . THR 57 57 16265 1 . LEU 58 58 16265 1 . PRO 59 59 16265 1 . VAL 60 60 16265 1 . ARG 61 61 16265 1 . LYS 62 62 16265 1 . PRO 63 63 16265 1 . SER 64 64 16265 1 . PHE 65 65 16265 1 . LEU 66 66 16265 1 . ILE 67 67 16265 1 . THR 68 68 16265 1 . ASN 69 69 16265 1 . PRO 70 70 16265 1 . GLY 71 71 16265 1 . SER 72 72 16265 1 . GLN 73 73 16265 1 . GLN 74 74 16265 1 . GLY 75 75 16265 1 . PRO 76 76 16265 1 . ARG 77 77 16265 1 . PHE 78 78 16265 1 . ALA 79 79 16265 1 . GLY 80 80 16265 1 . SER 81 81 16265 1 . PRO 82 82 16265 1 . LEU 83 83 16265 1 . GLY 84 84 16265 1 . HIS 85 85 16265 1 . GLU 86 86 16265 1 . PHE 87 87 16265 1 . THR 88 88 16265 1 . SER 89 89 16265 1 . LEU 90 90 16265 1 . VAL 91 91 16265 1 . LEU 92 92 16265 1 . ALA 93 93 16265 1 . LEU 94 94 16265 1 . LEU 95 95 16265 1 . TRP 96 96 16265 1 . THR 97 97 16265 1 . GLY 98 98 16265 1 . GLY 99 99 16265 1 . HIS 100 100 16265 1 . PRO 101 101 16265 1 . SER 102 102 16265 1 . LYS 103 103 16265 1 . GLU 104 104 16265 1 . ALA 105 105 16265 1 . GLN 106 106 16265 1 . SER 107 107 16265 1 . LEU 108 108 16265 1 . LEU 109 109 16265 1 . GLU 110 110 16265 1 . GLN 111 111 16265 1 . ILE 112 112 16265 1 . ARG 113 113 16265 1 . ASP 114 114 16265 1 . ILE 115 115 16265 1 . ASP 116 116 16265 1 . GLY 117 117 16265 1 . ASP 118 118 16265 1 . PHE 119 119 16265 1 . GLU 120 120 16265 1 . PHE 121 121 16265 1 . GLU 122 122 16265 1 . THR 123 123 16265 1 . TYR 124 124 16265 1 . TYR 125 125 16265 1 . SER 126 126 16265 1 . LEU 127 127 16265 1 . SER 128 128 16265 1 . CYS 129 129 16265 1 . HIS 130 130 16265 1 . ASN 131 131 16265 1 . CYS 132 132 16265 1 . PRO 133 133 16265 1 . ASP 134 134 16265 1 . VAL 135 135 16265 1 . VAL 136 136 16265 1 . GLN 137 137 16265 1 . ALA 138 138 16265 1 . LEU 139 139 16265 1 . ASN 140 140 16265 1 . LEU 141 141 16265 1 . MET 142 142 16265 1 . ALA 143 143 16265 1 . VAL 144 144 16265 1 . LEU 145 145 16265 1 . ASN 146 146 16265 1 . PRO 147 147 16265 1 . ARG 148 148 16265 1 . ILE 149 149 16265 1 . LYS 150 150 16265 1 . HIS 151 151 16265 1 . THR 152 152 16265 1 . ALA 153 153 16265 1 . ILE 154 154 16265 1 . ASP 155 155 16265 1 . GLY 156 156 16265 1 . GLY 157 157 16265 1 . THR 158 158 16265 1 . PHE 159 159 16265 1 . GLN 160 160 16265 1 . ASN 161 161 16265 1 . GLU 162 162 16265 1 . ILE 163 163 16265 1 . THR 164 164 16265 1 . GLU 165 165 16265 1 . ARG 166 166 16265 1 . ASN 167 167 16265 1 . VAL 168 168 16265 1 . MET 169 169 16265 1 . GLY 170 170 16265 1 . VAL 171 171 16265 1 . PRO 172 172 16265 1 . ALA 173 173 16265 1 . VAL 174 174 16265 1 . PHE 175 175 16265 1 . VAL 176 176 16265 1 . ASN 177 177 16265 1 . GLY 178 178 16265 1 . LYS 179 179 16265 1 . GLU 180 180 16265 1 . PHE 181 181 16265 1 . GLY 182 182 16265 1 . GLN 183 183 16265 1 . GLY 184 184 16265 1 . ARG 185 185 16265 1 . MET 186 186 16265 1 . THR 187 187 16265 1 . LEU 188 188 16265 1 . THR 189 189 16265 1 . GLU 190 190 16265 1 . ILE 191 191 16265 1 . VAL 192 192 16265 1 . ALA 193 193 16265 1 . LYS 194 194 16265 1 . VAL 195 195 16265 1 . ASP 196 196 16265 1 . THR 197 197 16265 1 . GLY 198 198 16265 1 . ALA 199 199 16265 1 . GLU 200 200 16265 1 . LYS 201 201 16265 1 . ARG 202 202 16265 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 16265 _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 $N-terminal_domain_of_AhpF . 28901 organism . 'Salmonella typhimurium' 'Salmonella enterica' . . Bacteria . Salmonella typhimurium . . . . . . . . . . . . . . . . . . . . . 16265 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 16265 _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 $N-terminal_domain_of_AhpF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pOXO4 . . . . . . 16265 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16265 _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 'N-terminal domain of AhpF' '[U-100% 13C; U-100% 15N]' . . 1 $N-terminal_domain_of_AhpF . . 1 . . mM . . . . 16265 1 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 16265 1 3 'maleic acid' 'natural abundance' . . . . . . 1 . . mM . . . . 16265 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16265 1 5 'protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 16265 1 6 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16265 1 7 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16265 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16265 _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 pH 6.5 . pH 16265 1 pressure 1 . atm 16265 1 temperature 298 . K 16265 1 stop_ save_ ############################ # Computer software used # ############################ save_Burrow_Owl _Software.Sf_category software _Software.Sf_framecode Burrow_Owl _Software.Entry_ID 16265 _Software.ID 1 _Software.Name Burrow_Owl _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Greg Benison' . http://burrow-owl.sourceforge.net/ 16265 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16265 1 'data analysis' 16265 1 'peak picking' 16265 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16265 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16265 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16265 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16265 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16265 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16265 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 16265 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16265 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16265 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16265 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16265 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16265 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 16265 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16265 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 16265 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 16265 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16265 1 2 '3D CBCA(CO)NH' . . . 16265 1 3 '3D HNCA' . . . 16265 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Burrow_Owl . . 16265 1 2 $NMRPipe . . 16265 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 1 1 MET CA C 13 56.20 0.05 . 1 . . . . 1 MET CA . 16265 1 2 . 1 1 1 1 MET CB C 13 32.20 0.05 . 1 . . . . 1 MET CB . 16265 1 3 . 1 1 2 2 LEU H H 1 9.74 0.02 . 1 . . . . 2 LEU H . 16265 1 4 . 1 1 2 2 LEU CA C 13 54.68 0.05 . 1 . . . . 2 LEU CA . 16265 1 5 . 1 1 2 2 LEU CB C 13 42.96 0.05 . 1 . . . . 2 LEU CB . 16265 1 6 . 1 1 2 2 LEU N N 15 124.28 0.05 . 1 . . . . 2 LEU N . 16265 1 7 . 1 1 3 3 ASP H H 1 7.83 0.02 . 1 . . . . 3 ASP H . 16265 1 8 . 1 1 3 3 ASP CA C 13 53.03 0.05 . 1 . . . . 3 ASP CA . 16265 1 9 . 1 1 3 3 ASP CB C 13 41.42 0.05 . 1 . . . . 3 ASP CB . 16265 1 10 . 1 1 3 3 ASP N N 15 123.10 0.05 . 1 . . . . 3 ASP N . 16265 1 11 . 1 1 4 4 THR H H 1 8.36 0.02 . 1 . . . . 4 THR H . 16265 1 12 . 1 1 4 4 THR CA C 13 66.94 0.05 . 1 . . . . 4 THR CA . 16265 1 13 . 1 1 4 4 THR CB C 13 68.65 0.05 . 1 . . . . 4 THR CB . 16265 1 14 . 1 1 4 4 THR N N 15 115.32 0.05 . 1 . . . . 4 THR N . 16265 1 15 . 1 1 5 5 ASN H H 1 8.29 0.02 . 1 . . . . 5 ASN H . 16265 1 16 . 1 1 5 5 ASN CA C 13 56.48 0.05 . 1 . . . . 5 ASN CA . 16265 1 17 . 1 1 5 5 ASN CB C 13 37.60 0.05 . 1 . . . . 5 ASN CB . 16265 1 18 . 1 1 5 5 ASN N N 15 121.38 0.05 . 1 . . . . 5 ASN N . 16265 1 19 . 1 1 6 6 MET H H 1 8.46 0.02 . 1 . . . . 6 MET H . 16265 1 20 . 1 1 6 6 MET CA C 13 59.01 0.05 . 1 . . . . 6 MET CA . 16265 1 21 . 1 1 6 6 MET CB C 13 33.10 0.05 . 1 . . . . 6 MET CB . 16265 1 22 . 1 1 6 6 MET N N 15 120.81 0.05 . 1 . . . . 6 MET N . 16265 1 23 . 1 1 7 7 LYS H H 1 8.36 0.02 . 1 . . . . 7 LYS H . 16265 1 24 . 1 1 7 7 LYS CA C 13 61.28 0.05 . 1 . . . . 7 LYS CA . 16265 1 25 . 1 1 7 7 LYS CB C 13 32.15 0.05 . 1 . . . . 7 LYS CB . 16265 1 26 . 1 1 7 7 LYS N N 15 118.65 0.05 . 1 . . . . 7 LYS N . 16265 1 27 . 1 1 8 8 THR H H 1 8.11 0.02 . 1 . . . . 8 THR H . 16265 1 28 . 1 1 8 8 THR CA C 13 66.94 0.05 . 1 . . . . 8 THR CA . 16265 1 29 . 1 1 8 8 THR CB C 13 68.96 0.05 . 1 . . . . 8 THR CB . 16265 1 30 . 1 1 8 8 THR N N 15 115.78 0.05 . 1 . . . . 8 THR N . 16265 1 31 . 1 1 9 9 GLN H H 1 7.92 0.02 . 1 . . . . 9 GLN H . 16265 1 32 . 1 1 9 9 GLN CA C 13 58.90 0.05 . 1 . . . . 9 GLN CA . 16265 1 33 . 1 1 9 9 GLN CB C 13 29.03 0.05 . 1 . . . . 9 GLN CB . 16265 1 34 . 1 1 9 9 GLN N N 15 121.04 0.05 . 1 . . . . 9 GLN N . 16265 1 35 . 1 1 10 10 LEU H H 1 8.64 0.02 . 1 . . . . 10 LEU H . 16265 1 36 . 1 1 10 10 LEU CA C 13 58.47 0.05 . 1 . . . . 10 LEU CA . 16265 1 37 . 1 1 10 10 LEU CB C 13 42.19 0.05 . 1 . . . . 10 LEU CB . 16265 1 38 . 1 1 10 10 LEU N N 15 118.91 0.05 . 1 . . . . 10 LEU N . 16265 1 39 . 1 1 11 11 ARG H H 1 8.53 0.02 . 1 . . . . 11 ARG H . 16265 1 40 . 1 1 11 11 ARG CA C 13 60.66 0.05 . 1 . . . . 11 ARG CA . 16265 1 41 . 1 1 11 11 ARG CB C 13 30.29 0.05 . 1 . . . . 11 ARG CB . 16265 1 42 . 1 1 11 11 ARG N N 15 118.66 0.05 . 1 . . . . 11 ARG N . 16265 1 43 . 1 1 12 12 ALA H H 1 7.15 0.02 . 1 . . . . 12 ALA H . 16265 1 44 . 1 1 12 12 ALA CA C 13 54.81 0.05 . 1 . . . . 12 ALA CA . 16265 1 45 . 1 1 12 12 ALA CB C 13 17.47 0.05 . 1 . . . . 12 ALA CB . 16265 1 46 . 1 1 12 12 ALA N N 15 118.73 0.05 . 1 . . . . 12 ALA N . 16265 1 47 . 1 1 13 13 TYR H H 1 8.10 0.02 . 1 . . . . 13 TYR H . 16265 1 48 . 1 1 13 13 TYR CA C 13 60.99 0.05 . 1 . . . . 13 TYR CA . 16265 1 49 . 1 1 13 13 TYR CB C 13 37.78 0.05 . 1 . . . . 13 TYR CB . 16265 1 50 . 1 1 13 13 TYR N N 15 117.36 0.05 . 1 . . . . 13 TYR N . 16265 1 51 . 1 1 14 14 LEU H H 1 8.55 0.02 . 1 . . . . 14 LEU H . 16265 1 52 . 1 1 14 14 LEU CA C 13 56.87 0.05 . 1 . . . . 14 LEU CA . 16265 1 53 . 1 1 14 14 LEU CB C 13 40.18 0.05 . 1 . . . . 14 LEU CB . 16265 1 54 . 1 1 14 14 LEU N N 15 115.22 0.05 . 1 . . . . 14 LEU N . 16265 1 55 . 1 1 15 15 GLU H H 1 7.53 0.02 . 1 . . . . 15 GLU H . 16265 1 56 . 1 1 15 15 GLU CA C 13 58.84 0.05 . 1 . . . . 15 GLU CA . 16265 1 57 . 1 1 15 15 GLU CB C 13 29.34 0.05 . 1 . . . . 15 GLU CB . 16265 1 58 . 1 1 15 15 GLU N N 15 119.74 0.05 . 1 . . . . 15 GLU N . 16265 1 59 . 1 1 16 16 LYS H H 1 7.52 0.02 . 1 . . . . 16 LYS H . 16265 1 60 . 1 1 16 16 LYS CA C 13 56.21 0.05 . 1 . . . . 16 LYS CA . 16265 1 61 . 1 1 16 16 LYS CB C 13 32.32 0.05 . 1 . . . . 16 LYS CB . 16265 1 62 . 1 1 16 16 LYS N N 15 114.76 0.05 . 1 . . . . 16 LYS N . 16265 1 63 . 1 1 17 17 LEU H H 1 7.15 0.02 . 1 . . . . 17 LEU H . 16265 1 64 . 1 1 17 17 LEU CA C 13 56.66 0.05 . 1 . . . . 17 LEU CA . 16265 1 65 . 1 1 17 17 LEU CB C 13 41.08 0.05 . 1 . . . . 17 LEU CB . 16265 1 66 . 1 1 17 17 LEU N N 15 117.64 0.05 . 1 . . . . 17 LEU N . 16265 1 67 . 1 1 18 18 THR H H 1 8.57 0.02 . 1 . . . . 18 THR H . 16265 1 68 . 1 1 18 18 THR CA C 13 62.03 0.05 . 1 . . . . 18 THR CA . 16265 1 69 . 1 1 18 18 THR CB C 13 69.96 0.05 . 1 . . . . 18 THR CB . 16265 1 70 . 1 1 18 18 THR N N 15 112.07 0.05 . 1 . . . . 18 THR N . 16265 1 71 . 1 1 19 19 LYS H H 1 8.01 0.02 . 1 . . . . 19 LYS H . 16265 1 72 . 1 1 19 19 LYS CA C 13 53.03 0.05 . 1 . . . . 19 LYS CA . 16265 1 73 . 1 1 19 19 LYS CB C 13 34.12 0.05 . 1 . . . . 19 LYS CB . 16265 1 74 . 1 1 19 19 LYS N N 15 123.73 0.05 . 1 . . . . 19 LYS N . 16265 1 75 . 1 1 20 20 PRO CA C 13 62.65 0.05 . 1 . . . . 20 PRO CA . 16265 1 76 . 1 1 20 20 PRO CB C 13 32.65 0.05 . 1 . . . . 20 PRO CB . 16265 1 77 . 1 1 21 21 VAL H H 1 8.94 0.02 . 1 . . . . 21 VAL H . 16265 1 78 . 1 1 21 21 VAL CA C 13 61.14 0.05 . 1 . . . . 21 VAL CA . 16265 1 79 . 1 1 21 21 VAL CB C 13 35.87 0.05 . 1 . . . . 21 VAL CB . 16265 1 80 . 1 1 21 21 VAL N N 15 120.17 0.05 . 1 . . . . 21 VAL N . 16265 1 81 . 1 1 22 22 GLU H H 1 9.38 0.02 . 1 . . . . 22 GLU H . 16265 1 82 . 1 1 22 22 GLU CA C 13 54.74 0.05 . 1 . . . . 22 GLU CA . 16265 1 83 . 1 1 22 22 GLU CB C 13 33.66 0.05 . 1 . . . . 22 GLU CB . 16265 1 84 . 1 1 22 22 GLU N N 15 128.13 0.05 . 1 . . . . 22 GLU N . 16265 1 85 . 1 1 23 23 LEU H H 1 8.69 0.02 . 1 . . . . 23 LEU H . 16265 1 86 . 1 1 23 23 LEU CA C 13 52.26 0.05 . 1 . . . . 23 LEU CA . 16265 1 87 . 1 1 23 23 LEU CB C 13 42.94 0.05 . 1 . . . . 23 LEU CB . 16265 1 88 . 1 1 23 23 LEU N N 15 123.27 0.05 . 1 . . . . 23 LEU N . 16265 1 89 . 1 1 24 24 ILE H H 1 8.92 0.02 . 1 . . . . 24 ILE H . 16265 1 90 . 1 1 24 24 ILE CA C 13 60.19 0.05 . 1 . . . . 24 ILE CA . 16265 1 91 . 1 1 24 24 ILE CB C 13 38.59 0.05 . 1 . . . . 24 ILE CB . 16265 1 92 . 1 1 24 24 ILE N N 15 121.47 0.05 . 1 . . . . 24 ILE N . 16265 1 93 . 1 1 25 25 ALA H H 1 9.58 0.02 . 1 . . . . 25 ALA H . 16265 1 94 . 1 1 25 25 ALA CA C 13 50.82 0.05 . 1 . . . . 25 ALA CA . 16265 1 95 . 1 1 25 25 ALA CB C 13 22.51 0.05 . 1 . . . . 25 ALA CB . 16265 1 96 . 1 1 25 25 ALA N N 15 133.65 0.05 . 1 . . . . 25 ALA N . 16265 1 97 . 1 1 26 26 THR H H 1 9.34 0.02 . 1 . . . . 26 THR H . 16265 1 98 . 1 1 26 26 THR CA C 13 63.38 0.05 . 1 . . . . 26 THR CA . 16265 1 99 . 1 1 26 26 THR CB C 13 71.34 0.05 . 1 . . . . 26 THR CB . 16265 1 100 . 1 1 26 26 THR N N 15 121.24 0.05 . 1 . . . . 26 THR N . 16265 1 101 . 1 1 27 27 LEU H H 1 9.16 0.02 . 1 . . . . 27 LEU H . 16265 1 102 . 1 1 27 27 LEU CA C 13 53.96 0.05 . 1 . . . . 27 LEU CA . 16265 1 103 . 1 1 27 27 LEU CB C 13 45.17 0.05 . 1 . . . . 27 LEU CB . 16265 1 104 . 1 1 27 27 LEU N N 15 126.36 0.05 . 1 . . . . 27 LEU N . 16265 1 105 . 1 1 28 28 ASP H H 1 7.87 0.02 . 1 . . . . 28 ASP H . 16265 1 106 . 1 1 28 28 ASP CA C 13 52.08 0.05 . 1 . . . . 28 ASP CA . 16265 1 107 . 1 1 28 28 ASP CB C 13 41.28 0.05 . 1 . . . . 28 ASP CB . 16265 1 108 . 1 1 28 28 ASP N N 15 119.57 0.05 . 1 . . . . 28 ASP N . 16265 1 109 . 1 1 29 29 ASP H H 1 8.03 0.02 . 1 . . . . 29 ASP H . 16265 1 110 . 1 1 29 29 ASP CA C 13 53.78 0.05 . 1 . . . . 29 ASP CA . 16265 1 111 . 1 1 29 29 ASP CB C 13 40.10 0.05 . 1 . . . . 29 ASP CB . 16265 1 112 . 1 1 29 29 ASP N N 15 115.78 0.05 . 1 . . . . 29 ASP N . 16265 1 113 . 1 1 30 30 SER H H 1 8.14 0.02 . 1 . . . . 30 SER H . 16265 1 114 . 1 1 30 30 SER CA C 13 58.78 0.05 . 1 . . . . 30 SER CA . 16265 1 115 . 1 1 30 30 SER CB C 13 65.70 0.05 . 1 . . . . 30 SER CB . 16265 1 116 . 1 1 30 30 SER N N 15 116.88 0.05 . 1 . . . . 30 SER N . 16265 1 117 . 1 1 31 31 ALA H H 1 8.99 0.02 . 1 . . . . 31 ALA H . 16265 1 118 . 1 1 31 31 ALA CB C 13 18.02 0.05 . 1 . . . . 31 ALA CB . 16265 1 119 . 1 1 31 31 ALA N N 15 125.37 0.05 . 1 . . . . 31 ALA N . 16265 1 120 . 1 1 32 32 LYS H H 1 8.20 0.02 . 1 . . . . 32 LYS H . 16265 1 121 . 1 1 32 32 LYS CA C 13 58.07 0.05 . 1 . . . . 32 LYS CA . 16265 1 122 . 1 1 32 32 LYS CB C 13 30.68 0.05 . 1 . . . . 32 LYS CB . 16265 1 123 . 1 1 32 32 LYS N N 15 117.77 0.05 . 1 . . . . 32 LYS N . 16265 1 124 . 1 1 33 33 SER H H 1 7.73 0.02 . 1 . . . . 33 SER H . 16265 1 125 . 1 1 33 33 SER CA C 13 63.86 0.05 . 1 . . . . 33 SER CA . 16265 1 126 . 1 1 33 33 SER CB C 13 63.27 0.05 . 1 . . . . 33 SER CB . 16265 1 127 . 1 1 33 33 SER N N 15 116.70 0.05 . 1 . . . . 33 SER N . 16265 1 128 . 1 1 34 34 ALA H H 1 7.73 0.02 . 1 . . . . 34 ALA H . 16265 1 129 . 1 1 34 34 ALA CA C 13 55.10 0.05 . 1 . . . . 34 ALA CA . 16265 1 130 . 1 1 34 34 ALA CB C 13 17.38 0.05 . 1 . . . . 34 ALA CB . 16265 1 131 . 1 1 34 34 ALA N N 15 124.66 0.05 . 1 . . . . 34 ALA N . 16265 1 132 . 1 1 35 35 GLU H H 1 7.79 0.02 . 1 . . . . 35 GLU H . 16265 1 133 . 1 1 35 35 GLU CA C 13 59.34 0.05 . 1 . . . . 35 GLU CA . 16265 1 134 . 1 1 35 35 GLU CB C 13 29.60 0.05 . 1 . . . . 35 GLU CB . 16265 1 135 . 1 1 35 35 GLU N N 15 118.63 0.05 . 1 . . . . 35 GLU N . 16265 1 136 . 1 1 36 36 ILE H H 1 7.63 0.02 . 1 . . . . 36 ILE H . 16265 1 137 . 1 1 36 36 ILE CA C 13 62.90 0.05 . 1 . . . . 36 ILE CA . 16265 1 138 . 1 1 36 36 ILE CB C 13 37.67 0.05 . 1 . . . . 36 ILE CB . 16265 1 139 . 1 1 36 36 ILE N N 15 119.95 0.05 . 1 . . . . 36 ILE N . 16265 1 140 . 1 1 37 37 LYS H H 1 8.55 0.02 . 1 . . . . 37 LYS H . 16265 1 141 . 1 1 37 37 LYS CA C 13 60.58 0.05 . 1 . . . . 37 LYS CA . 16265 1 142 . 1 1 37 37 LYS CB C 13 34.76 0.05 . 1 . . . . 37 LYS CB . 16265 1 143 . 1 1 37 37 LYS N N 15 121.18 0.05 . 1 . . . . 37 LYS N . 16265 1 144 . 1 1 38 38 GLU H H 1 7.56 0.02 . 1 . . . . 38 GLU H . 16265 1 145 . 1 1 38 38 GLU CA C 13 59.33 0.05 . 1 . . . . 38 GLU CA . 16265 1 146 . 1 1 38 38 GLU CB C 13 29.38 0.05 . 1 . . . . 38 GLU CB . 16265 1 147 . 1 1 38 38 GLU N N 15 116.51 0.05 . 1 . . . . 38 GLU N . 16265 1 148 . 1 1 39 39 LEU H H 1 7.66 0.02 . 1 . . . . 39 LEU H . 16265 1 149 . 1 1 39 39 LEU CA C 13 57.74 0.05 . 1 . . . . 39 LEU CA . 16265 1 150 . 1 1 39 39 LEU CB C 13 40.48 0.05 . 1 . . . . 39 LEU CB . 16265 1 151 . 1 1 39 39 LEU N N 15 119.29 0.05 . 1 . . . . 39 LEU N . 16265 1 152 . 1 1 40 40 LEU H H 1 8.15 0.02 . 1 . . . . 40 LEU H . 16265 1 153 . 1 1 40 40 LEU CA C 13 58.92 0.05 . 1 . . . . 40 LEU CA . 16265 1 154 . 1 1 40 40 LEU CB C 13 39.96 0.05 . 1 . . . . 40 LEU CB . 16265 1 155 . 1 1 40 40 LEU N N 15 116.85 0.05 . 1 . . . . 40 LEU N . 16265 1 156 . 1 1 41 41 ALA H H 1 7.55 0.02 . 1 . . . . 41 ALA H . 16265 1 157 . 1 1 41 41 ALA CA C 13 54.89 0.05 . 1 . . . . 41 ALA CA . 16265 1 158 . 1 1 41 41 ALA CB C 13 17.06 0.05 . 1 . . . . 41 ALA CB . 16265 1 159 . 1 1 41 41 ALA N N 15 119.60 0.05 . 1 . . . . 41 ALA N . 16265 1 160 . 1 1 42 42 GLU H H 1 7.68 0.02 . 1 . . . . 42 GLU H . 16265 1 161 . 1 1 42 42 GLU CA C 13 59.29 0.05 . 1 . . . . 42 GLU CA . 16265 1 162 . 1 1 42 42 GLU CB C 13 29.47 0.05 . 1 . . . . 42 GLU CB . 16265 1 163 . 1 1 42 42 GLU N N 15 119.08 0.05 . 1 . . . . 42 GLU N . 16265 1 164 . 1 1 43 43 ILE H H 1 7.93 0.02 . 1 . . . . 43 ILE H . 16265 1 165 . 1 1 43 43 ILE CA C 13 65.94 0.05 . 1 . . . . 43 ILE CA . 16265 1 166 . 1 1 43 43 ILE CB C 13 37.34 0.05 . 1 . . . . 43 ILE CB . 16265 1 167 . 1 1 43 43 ILE N N 15 118.55 0.05 . 1 . . . . 43 ILE N . 16265 1 168 . 1 1 44 44 ALA H H 1 7.98 0.02 . 1 . . . . 44 ALA H . 16265 1 169 . 1 1 44 44 ALA CA C 13 54.58 0.05 . 1 . . . . 44 ALA CA . 16265 1 170 . 1 1 44 44 ALA CB C 13 18.27 0.05 . 1 . . . . 44 ALA CB . 16265 1 171 . 1 1 44 44 ALA N N 15 119.07 0.05 . 1 . . . . 44 ALA N . 16265 1 172 . 1 1 45 45 GLU H H 1 7.34 0.02 . 1 . . . . 45 GLU H . 16265 1 173 . 1 1 45 45 GLU CA C 13 57.51 0.05 . 1 . . . . 45 GLU CA . 16265 1 174 . 1 1 45 45 GLU CB C 13 29.76 0.05 . 1 . . . . 45 GLU CB . 16265 1 175 . 1 1 45 45 GLU N N 15 114.52 0.05 . 1 . . . . 45 GLU N . 16265 1 176 . 1 1 46 46 LEU H H 1 7.60 0.02 . 1 . . . . 46 LEU H . 16265 1 177 . 1 1 46 46 LEU CA C 13 55.58 0.05 . 1 . . . . 46 LEU CA . 16265 1 178 . 1 1 46 46 LEU CB C 13 42.71 0.05 . 1 . . . . 46 LEU CB . 16265 1 179 . 1 1 46 46 LEU N N 15 115.96 0.05 . 1 . . . . 46 LEU N . 16265 1 180 . 1 1 47 47 SER H H 1 7.06 0.02 . 1 . . . . 47 SER H . 16265 1 181 . 1 1 47 47 SER CA C 13 57.03 0.05 . 1 . . . . 47 SER CA . 16265 1 182 . 1 1 47 47 SER CB C 13 65.28 0.05 . 1 . . . . 47 SER CB . 16265 1 183 . 1 1 47 47 SER N N 15 108.97 0.05 . 1 . . . . 47 SER N . 16265 1 184 . 1 1 48 48 ASP H H 1 9.14 0.02 . 1 . . . . 48 ASP H . 16265 1 185 . 1 1 48 48 ASP CA C 13 56.14 0.05 . 1 . . . . 48 ASP CA . 16265 1 186 . 1 1 48 48 ASP CB C 13 39.90 0.05 . 1 . . . . 48 ASP CB . 16265 1 187 . 1 1 48 48 ASP N N 15 130.38 0.05 . 1 . . . . 48 ASP N . 16265 1 188 . 1 1 49 49 LYS H H 1 8.51 0.02 . 1 . . . . 49 LYS H . 16265 1 189 . 1 1 49 49 LYS CA C 13 56.69 0.05 . 1 . . . . 49 LYS CA . 16265 1 190 . 1 1 49 49 LYS CB C 13 32.52 0.05 . 1 . . . . 49 LYS CB . 16265 1 191 . 1 1 49 49 LYS N N 15 118.75 0.05 . 1 . . . . 49 LYS N . 16265 1 192 . 1 1 50 50 VAL H H 1 7.19 0.02 . 1 . . . . 50 VAL H . 16265 1 193 . 1 1 50 50 VAL CA C 13 60.89 0.05 . 1 . . . . 50 VAL CA . 16265 1 194 . 1 1 50 50 VAL CB C 13 33.11 0.05 . 1 . . . . 50 VAL CB . 16265 1 195 . 1 1 50 50 VAL N N 15 118.13 0.05 . 1 . . . . 50 VAL N . 16265 1 196 . 1 1 51 51 THR H H 1 8.35 0.02 . 1 . . . . 51 THR H . 16265 1 197 . 1 1 51 51 THR CA C 13 60.53 0.05 . 1 . . . . 51 THR CA . 16265 1 198 . 1 1 51 51 THR CB C 13 71.93 0.05 . 1 . . . . 51 THR CB . 16265 1 199 . 1 1 51 51 THR N N 15 118.70 0.05 . 1 . . . . 51 THR N . 16265 1 200 . 1 1 52 52 PHE H H 1 8.81 0.02 . 1 . . . . 52 PHE H . 16265 1 201 . 1 1 52 52 PHE CA C 13 54.74 0.05 . 1 . . . . 52 PHE CA . 16265 1 202 . 1 1 52 52 PHE CB C 13 41.49 0.05 . 1 . . . . 52 PHE CB . 16265 1 203 . 1 1 52 52 PHE N N 15 124.59 0.05 . 1 . . . . 52 PHE N . 16265 1 204 . 1 1 53 53 LYS H H 1 8.95 0.02 . 1 . . . . 53 LYS H . 16265 1 205 . 1 1 53 53 LYS CA C 13 54.35 0.05 . 1 . . . . 53 LYS CA . 16265 1 206 . 1 1 53 53 LYS CB C 13 36.57 0.05 . 1 . . . . 53 LYS CB . 16265 1 207 . 1 1 53 53 LYS N N 15 128.69 0.05 . 1 . . . . 53 LYS N . 16265 1 208 . 1 1 54 54 GLU H H 1 8.27 0.02 . 1 . . . . 54 GLU H . 16265 1 209 . 1 1 54 54 GLU CA C 13 54.89 0.05 . 1 . . . . 54 GLU CA . 16265 1 210 . 1 1 54 54 GLU CB C 13 32.62 0.05 . 1 . . . . 54 GLU CB . 16265 1 211 . 1 1 54 54 GLU N N 15 119.92 0.05 . 1 . . . . 54 GLU N . 16265 1 212 . 1 1 55 55 ASP H H 1 9.02 0.02 . 1 . . . . 55 ASP H . 16265 1 213 . 1 1 55 55 ASP CA C 13 53.96 0.05 . 1 . . . . 55 ASP CA . 16265 1 214 . 1 1 55 55 ASP CB C 13 40.64 0.05 . 1 . . . . 55 ASP CB . 16265 1 215 . 1 1 55 55 ASP N N 15 121.57 0.05 . 1 . . . . 55 ASP N . 16265 1 216 . 1 1 56 56 ASN H H 1 9.28 0.02 . 1 . . . . 56 ASN H . 16265 1 217 . 1 1 56 56 ASN CA C 13 55.027 0.05 . 1 . . . . 56 ASN CA . 16265 1 218 . 1 1 56 56 ASN CB C 13 37.83 0.05 . 1 . . . . 56 ASN CB . 16265 1 219 . 1 1 56 56 ASN N N 15 123.72 0.05 . 1 . . . . 56 ASN N . 16265 1 220 . 1 1 57 57 THR H H 1 8.45 0.02 . 1 . . . . 57 THR H . 16265 1 221 . 1 1 57 57 THR CA C 13 62.39 0.05 . 1 . . . . 57 THR CA . 16265 1 222 . 1 1 57 57 THR CB C 13 69.55 0.05 . 1 . . . . 57 THR CB . 16265 1 223 . 1 1 57 57 THR N N 15 109.96 0.05 . 1 . . . . 57 THR N . 16265 1 224 . 1 1 58 58 LEU H H 1 6.43 0.02 . 1 . . . . 58 LEU H . 16265 1 225 . 1 1 58 58 LEU CA C 13 53.57 0.05 . 1 . . . . 58 LEU CA . 16265 1 226 . 1 1 58 58 LEU CB C 13 41.55 0.05 . 1 . . . . 58 LEU CB . 16265 1 227 . 1 1 58 58 LEU N N 15 122.23 0.05 . 1 . . . . 58 LEU N . 16265 1 228 . 1 1 59 59 PRO CA C 13 62.54 0.05 . 1 . . . . 59 PRO CA . 16265 1 229 . 1 1 59 59 PRO CB C 13 27.61 0.05 . 1 . . . . 59 PRO CB . 16265 1 230 . 1 1 60 60 VAL H H 1 7.76 0.02 . 1 . . . . 60 VAL H . 16265 1 231 . 1 1 60 60 VAL CA C 13 58.83 0.05 . 1 . . . . 60 VAL CA . 16265 1 232 . 1 1 60 60 VAL CB C 13 35.45 0.05 . 1 . . . . 60 VAL CB . 16265 1 233 . 1 1 60 60 VAL N N 15 114.70 0.05 . 1 . . . . 60 VAL N . 16265 1 234 . 1 1 61 61 ARG H H 1 7.76 0.02 . 1 . . . . 61 ARG H . 16265 1 235 . 1 1 61 61 ARG CA C 13 57.22 0.05 . 1 . . . . 61 ARG CA . 16265 1 236 . 1 1 61 61 ARG CB C 13 32.46 0.05 . 1 . . . . 61 ARG CB . 16265 1 237 . 1 1 61 61 ARG N N 15 118.59 0.05 . 1 . . . . 61 ARG N . 16265 1 238 . 1 1 62 62 LYS H H 1 8.35 0.02 . 1 . . . . 62 LYS H . 16265 1 239 . 1 1 62 62 LYS CA C 13 60.90 0.05 . 1 . . . . 62 LYS CA . 16265 1 240 . 1 1 62 62 LYS CB C 13 35.26 0.05 . 1 . . . . 62 LYS CB . 16265 1 241 . 1 1 62 62 LYS N N 15 118.09 0.05 . 1 . . . . 62 LYS N . 16265 1 242 . 1 1 63 63 PRO CA C 13 62.17 0.05 . 1 . . . . 63 PRO CA . 16265 1 243 . 1 1 63 63 PRO CB C 13 34.95 0.05 . 1 . . . . 63 PRO CB . 16265 1 244 . 1 1 64 64 SER H H 1 8.80 0.02 . 1 . . . . 64 SER H . 16265 1 245 . 1 1 64 64 SER CA C 13 59.06 0.05 . 1 . . . . 64 SER CA . 16265 1 246 . 1 1 64 64 SER CB C 13 65.86 0.05 . 1 . . . . 64 SER CB . 16265 1 247 . 1 1 64 64 SER N N 15 110.62 0.05 . 1 . . . . 64 SER N . 16265 1 248 . 1 1 65 65 PHE H H 1 8.79 0.02 . 1 . . . . 65 PHE H . 16265 1 249 . 1 1 65 65 PHE CA C 13 56.63 0.05 . 1 . . . . 65 PHE CA . 16265 1 250 . 1 1 65 65 PHE CB C 13 42.38 0.05 . 1 . . . . 65 PHE CB . 16265 1 251 . 1 1 65 65 PHE N N 15 111.93 0.05 . 1 . . . . 65 PHE N . 16265 1 252 . 1 1 66 66 LEU H H 1 8.60 0.02 . 1 . . . . 66 LEU H . 16265 1 253 . 1 1 66 66 LEU CA C 13 53.19 0.05 . 1 . . . . 66 LEU CA . 16265 1 254 . 1 1 66 66 LEU CB C 13 46.59 0.05 . 1 . . . . 66 LEU CB . 16265 1 255 . 1 1 66 66 LEU N N 15 124.97 0.05 . 1 . . . . 66 LEU N . 16265 1 256 . 1 1 67 67 ILE H H 1 8.00 0.02 . 1 . . . . 67 ILE H . 16265 1 257 . 1 1 67 67 ILE CA C 13 61.30 0.05 . 1 . . . . 67 ILE CA . 16265 1 258 . 1 1 67 67 ILE CB C 13 38.96 0.05 . 1 . . . . 67 ILE CB . 16265 1 259 . 1 1 67 67 ILE N N 15 125.73 0.05 . 1 . . . . 67 ILE N . 16265 1 260 . 1 1 68 68 THR H H 1 8.61 0.02 . 1 . . . . 68 THR H . 16265 1 261 . 1 1 68 68 THR CA C 13 59.52 0.05 . 1 . . . . 68 THR CA . 16265 1 262 . 1 1 68 68 THR CB C 13 70.10 0.05 . 1 . . . . 68 THR CB . 16265 1 263 . 1 1 68 68 THR N N 15 119.79 0.05 . 1 . . . . 68 THR N . 16265 1 264 . 1 1 69 69 ASN H H 1 8.90 0.02 . 1 . . . . 69 ASN H . 16265 1 265 . 1 1 69 69 ASN CA C 13 51.83 0.05 . 1 . . . . 69 ASN CA . 16265 1 266 . 1 1 69 69 ASN CB C 13 40.90 0.05 . 1 . . . . 69 ASN CB . 16265 1 267 . 1 1 69 69 ASN N N 15 119.81 0.05 . 1 . . . . 69 ASN N . 16265 1 268 . 1 1 70 70 PRO CA C 13 64.30 0.05 . 1 . . . . 70 PRO CA . 16265 1 269 . 1 1 70 70 PRO CB C 13 31.31 0.05 . 1 . . . . 70 PRO CB . 16265 1 270 . 1 1 71 71 GLY H H 1 8.79 0.02 . 1 . . . . 71 GLY H . 16265 1 271 . 1 1 71 71 GLY CA C 13 45.63 0.05 . 1 . . . . 71 GLY CA . 16265 1 272 . 1 1 71 71 GLY N N 15 113.96 0.05 . 1 . . . . 71 GLY N . 16265 1 273 . 1 1 72 72 SER H H 1 8.07 0.02 . 1 . . . . 72 SER H . 16265 1 274 . 1 1 72 72 SER CA C 13 56.67 0.05 . 1 . . . . 72 SER CA . 16265 1 275 . 1 1 72 72 SER CB C 13 64.82 0.05 . 1 . . . . 72 SER CB . 16265 1 276 . 1 1 72 72 SER N N 15 115.54 0.05 . 1 . . . . 72 SER N . 16265 1 277 . 1 1 73 73 GLN H H 1 8.39 0.02 . 1 . . . . 73 GLN H . 16265 1 278 . 1 1 73 73 GLN CA C 13 55.09 0.05 . 1 . . . . 73 GLN CA . 16265 1 279 . 1 1 73 73 GLN CB C 13 29.80 0.05 . 1 . . . . 73 GLN CB . 16265 1 280 . 1 1 73 73 GLN N N 15 119.79 0.05 . 1 . . . . 73 GLN N . 16265 1 281 . 1 1 74 74 GLN H H 1 8.42 0.02 . 1 . . . . 74 GLN H . 16265 1 282 . 1 1 74 74 GLN CA C 13 55.33 0.05 . 1 . . . . 74 GLN CA . 16265 1 283 . 1 1 74 74 GLN CB C 13 29.65 0.05 . 1 . . . . 74 GLN CB . 16265 1 284 . 1 1 74 74 GLN N N 15 122.37 0.05 . 1 . . . . 74 GLN N . 16265 1 285 . 1 1 75 75 GLY H H 1 8.65 0.02 . 1 . . . . 75 GLY H . 16265 1 286 . 1 1 75 75 GLY CA C 13 55.40 0.05 . 1 . . . . 75 GLY CA . 16265 1 287 . 1 1 75 75 GLY N N 15 115.50 0.05 . 1 . . . . 75 GLY N . 16265 1 288 . 1 1 76 76 PRO CA C 13 62.69 0.05 . 1 . . . . 76 PRO CA . 16265 1 289 . 1 1 76 76 PRO CB C 13 33.27 0.05 . 1 . . . . 76 PRO CB . 16265 1 290 . 1 1 77 77 ARG H H 1 8.01 0.02 . 1 . . . . 77 ARG H . 16265 1 291 . 1 1 77 77 ARG CA C 13 53.29 0.05 . 1 . . . . 77 ARG CA . 16265 1 292 . 1 1 77 77 ARG CB C 13 33.79 0.05 . 1 . . . . 77 ARG CB . 16265 1 293 . 1 1 77 77 ARG N N 15 119.79 0.05 . 1 . . . . 77 ARG N . 16265 1 294 . 1 1 78 78 PHE H H 1 7.96 0.02 . 1 . . . . 78 PHE H . 16265 1 295 . 1 1 78 78 PHE CA C 13 56.50 0.05 . 1 . . . . 78 PHE CA . 16265 1 296 . 1 1 78 78 PHE CB C 13 42.32 0.05 . 1 . . . . 78 PHE CB . 16265 1 297 . 1 1 78 78 PHE N N 15 121.32 0.05 . 1 . . . . 78 PHE N . 16265 1 298 . 1 1 79 79 ALA H H 1 9.69 0.02 . 1 . . . . 79 ALA H . 16265 1 299 . 1 1 79 79 ALA CA C 13 50.34 0.05 . 1 . . . . 79 ALA CA . 16265 1 300 . 1 1 79 79 ALA CB C 13 20.85 0.05 . 1 . . . . 79 ALA CB . 16265 1 301 . 1 1 79 79 ALA N N 15 128.08 0.05 . 1 . . . . 79 ALA N . 16265 1 302 . 1 1 80 80 GLY H H 1 8.18 0.02 . 1 . . . . 80 GLY H . 16265 1 303 . 1 1 80 80 GLY CA C 13 44.42 0.05 . 1 . . . . 80 GLY CA . 16265 1 304 . 1 1 80 80 GLY N N 15 110.71 0.05 . 1 . . . . 80 GLY N . 16265 1 305 . 1 1 81 81 SER H H 1 8.76 0.02 . 1 . . . . 81 SER H . 16265 1 306 . 1 1 81 81 SER CA C 13 56.08 0.05 . 1 . . . . 81 SER CA . 16265 1 307 . 1 1 81 81 SER CB C 13 63.53 0.05 . 1 . . . . 81 SER CB . 16265 1 308 . 1 1 81 81 SER N N 15 114.07 0.05 . 1 . . . . 81 SER N . 16265 1 309 . 1 1 82 82 PRO CA C 13 62.21 0.05 . 1 . . . . 82 PRO CA . 16265 1 310 . 1 1 82 82 PRO CB C 13 29.59 0.05 . 1 . . . . 82 PRO CB . 16265 1 311 . 1 1 83 83 LEU H H 1 6.76 0.02 . 1 . . . . 83 LEU H . 16265 1 312 . 1 1 83 83 LEU CA C 13 52.89 0.05 . 1 . . . . 83 LEU CA . 16265 1 313 . 1 1 83 83 LEU CB C 13 39.73 0.05 . 1 . . . . 83 LEU CB . 16265 1 314 . 1 1 83 83 LEU N N 15 114.47 0.05 . 1 . . . . 83 LEU N . 16265 1 315 . 1 1 84 84 GLY H H 1 8.38 0.02 . 1 . . . . 84 GLY H . 16265 1 316 . 1 1 84 84 GLY CA C 13 47.09 0.05 . 1 . . . . 84 GLY CA . 16265 1 317 . 1 1 84 84 GLY N N 15 108.36 0.05 . 1 . . . . 84 GLY N . 16265 1 318 . 1 1 85 85 HIS CA C 13 58.71 0.05 . 1 . . . . 85 HIS CA . 16265 1 319 . 1 1 85 85 HIS CB C 13 29.99 0.05 . 1 . . . . 85 HIS CB . 16265 1 320 . 1 1 86 86 GLU H H 1 8.18 0.02 . 1 . . . . 86 GLU H . 16265 1 321 . 1 1 86 86 GLU CA C 13 55.05 0.05 . 1 . . . . 86 GLU CA . 16265 1 322 . 1 1 86 86 GLU CB C 13 26.18 0.05 . 1 . . . . 86 GLU CB . 16265 1 323 . 1 1 86 86 GLU N N 15 112.71 0.05 . 1 . . . . 86 GLU N . 16265 1 324 . 1 1 87 87 PHE H H 1 7.43 0.02 . 1 . . . . 87 PHE H . 16265 1 325 . 1 1 87 87 PHE CA C 13 61.88 0.05 . 1 . . . . 87 PHE CA . 16265 1 326 . 1 1 87 87 PHE CB C 13 38.70 0.05 . 1 . . . . 87 PHE CB . 16265 1 327 . 1 1 87 87 PHE N N 15 123.80 0.05 . 1 . . . . 87 PHE N . 16265 1 328 . 1 1 88 88 THR H H 1 8.09 0.02 . 1 . . . . 88 THR H . 16265 1 329 . 1 1 88 88 THR CA C 13 66.09 0.05 . 1 . . . . 88 THR CA . 16265 1 330 . 1 1 88 88 THR CB C 13 68.18 0.05 . 1 . . . . 88 THR CB . 16265 1 331 . 1 1 88 88 THR N N 15 111.97 0.05 . 1 . . . . 88 THR N . 16265 1 332 . 1 1 89 89 SER H H 1 7.03 0.02 . 1 . . . . 89 SER H . 16265 1 333 . 1 1 89 89 SER CA C 13 60.48 0.05 . 1 . . . . 89 SER CA . 16265 1 334 . 1 1 89 89 SER CB C 13 62.36 0.05 . 1 . . . . 89 SER CB . 16265 1 335 . 1 1 89 89 SER N N 15 115.31 0.05 . 1 . . . . 89 SER N . 16265 1 336 . 1 1 90 90 LEU H H 1 8.20 0.02 . 1 . . . . 90 LEU H . 16265 1 337 . 1 1 90 90 LEU CA C 13 58.65 0.05 . 1 . . . . 90 LEU CA . 16265 1 338 . 1 1 90 90 LEU CB C 13 39.43 0.05 . 1 . . . . 90 LEU CB . 16265 1 339 . 1 1 90 90 LEU N N 15 126.60 0.05 . 1 . . . . 90 LEU N . 16265 1 340 . 1 1 91 91 VAL H H 1 7.80 0.02 . 1 . . . . 91 VAL H . 16265 1 341 . 1 1 91 91 VAL CA C 13 67.63 0.05 . 1 . . . . 91 VAL CA . 16265 1 342 . 1 1 91 91 VAL CB C 13 30.38 0.05 . 1 . . . . 91 VAL CB . 16265 1 343 . 1 1 91 91 VAL N N 15 118.35 0.05 . 1 . . . . 91 VAL N . 16265 1 344 . 1 1 92 92 LEU H H 1 7.85 0.02 . 1 . . . . 92 LEU H . 16265 1 345 . 1 1 92 92 LEU CA C 13 57.32 0.05 . 1 . . . . 92 LEU CA . 16265 1 346 . 1 1 92 92 LEU CB C 13 40.49 0.05 . 1 . . . . 92 LEU CB . 16265 1 347 . 1 1 92 92 LEU N N 15 116.47 0.05 . 1 . . . . 92 LEU N . 16265 1 348 . 1 1 93 93 ALA H H 1 7.22 0.02 . 1 . . . . 93 ALA H . 16265 1 349 . 1 1 93 93 ALA CA C 13 55.90 0.05 . 1 . . . . 93 ALA CA . 16265 1 350 . 1 1 93 93 ALA CB C 13 17.72 0.05 . 1 . . . . 93 ALA CB . 16265 1 351 . 1 1 93 93 ALA N N 15 116.92 0.05 . 1 . . . . 93 ALA N . 16265 1 352 . 1 1 94 94 LEU H H 1 7.82 0.02 . 1 . . . . 94 LEU H . 16265 1 353 . 1 1 94 94 LEU CA C 13 59.50 0.05 . 1 . . . . 94 LEU CA . 16265 1 354 . 1 1 94 94 LEU CB C 13 41.93 0.05 . 1 . . . . 94 LEU CB . 16265 1 355 . 1 1 94 94 LEU N N 15 119.83 0.05 . 1 . . . . 94 LEU N . 16265 1 356 . 1 1 95 95 LEU H H 1 7.97 0.02 . 1 . . . . 95 LEU H . 16265 1 357 . 1 1 95 95 LEU CA C 13 58.10 0.05 . 1 . . . . 95 LEU CA . 16265 1 358 . 1 1 95 95 LEU CB C 13 40.77 0.05 . 1 . . . . 95 LEU CB . 16265 1 359 . 1 1 95 95 LEU N N 15 118.22 0.05 . 1 . . . . 95 LEU N . 16265 1 360 . 1 1 96 96 TRP H H 1 9.13 0.02 . 1 . . . . 96 TRP H . 16265 1 361 . 1 1 96 96 TRP CA C 13 58.02 0.05 . 1 . . . . 96 TRP CA . 16265 1 362 . 1 1 96 96 TRP CB C 13 29.26 0.05 . 1 . . . . 96 TRP CB . 16265 1 363 . 1 1 96 96 TRP N N 15 119.22 0.05 . 1 . . . . 96 TRP N . 16265 1 364 . 1 1 97 97 THR H H 1 8.02 0.02 . 1 . . . . 97 THR H . 16265 1 365 . 1 1 97 97 THR CA C 13 67.73 0.05 . 1 . . . . 97 THR CA . 16265 1 366 . 1 1 97 97 THR CB C 13 67.54 0.05 . 1 . . . . 97 THR CB . 16265 1 367 . 1 1 97 97 THR N N 15 118.95 0.05 . 1 . . . . 97 THR N . 16265 1 368 . 1 1 98 98 GLY H H 1 8.11 0.02 . 1 . . . . 98 GLY H . 16265 1 369 . 1 1 98 98 GLY CA C 13 46.25 0.05 . 1 . . . . 98 GLY CA . 16265 1 370 . 1 1 98 98 GLY N N 15 109.59 0.05 . 1 . . . . 98 GLY N . 16265 1 371 . 1 1 99 99 GLY H H 1 7.37 0.02 . 1 . . . . 99 GLY H . 16265 1 372 . 1 1 99 99 GLY CA C 13 45.33 0.05 . 1 . . . . 99 GLY CA . 16265 1 373 . 1 1 99 99 GLY N N 15 106.14 0.05 . 1 . . . . 99 GLY N . 16265 1 374 . 1 1 100 100 HIS H H 1 8.78 0.02 . 1 . . . . 100 HIS H . 16265 1 375 . 1 1 100 100 HIS CA C 13 54.60 0.05 . 1 . . . . 100 HIS CA . 16265 1 376 . 1 1 100 100 HIS CB C 13 32.24 0.05 . 1 . . . . 100 HIS CB . 16265 1 377 . 1 1 100 100 HIS N N 15 125.89 0.05 . 1 . . . . 100 HIS N . 16265 1 378 . 1 1 101 101 PRO CA C 13 63.20 0.05 . 1 . . . . 101 PRO CA . 16265 1 379 . 1 1 101 101 PRO CB C 13 31.99 0.05 . 1 . . . . 101 PRO CB . 16265 1 380 . 1 1 102 102 SER H H 1 8.42 0.02 . 1 . . . . 102 SER H . 16265 1 381 . 1 1 102 102 SER CA C 13 58.39 0.05 . 1 . . . . 102 SER CA . 16265 1 382 . 1 1 102 102 SER CB C 13 64.17 0.05 . 1 . . . . 102 SER CB . 16265 1 383 . 1 1 102 102 SER N N 15 116.29 0.05 . 1 . . . . 102 SER N . 16265 1 384 . 1 1 103 103 LYS H H 1 8.52 0.02 . 1 . . . . 103 LYS H . 16265 1 385 . 1 1 103 103 LYS CA C 13 56.21 0.05 . 1 . . . . 103 LYS CA . 16265 1 386 . 1 1 103 103 LYS CB C 13 31.90 0.05 . 1 . . . . 103 LYS CB . 16265 1 387 . 1 1 103 103 LYS N N 15 121.15 0.05 . 1 . . . . 103 LYS N . 16265 1 388 . 1 1 104 104 GLU H H 1 7.44 0.02 . 1 . . . . 104 GLU H . 16265 1 389 . 1 1 104 104 GLU CA C 13 55.38 0.05 . 1 . . . . 104 GLU CA . 16265 1 390 . 1 1 104 104 GLU CB C 13 29.43 0.05 . 1 . . . . 104 GLU CB . 16265 1 391 . 1 1 104 104 GLU N N 15 119.01 0.05 . 1 . . . . 104 GLU N . 16265 1 392 . 1 1 105 105 ALA H H 1 8.78 0.02 . 1 . . . . 105 ALA H . 16265 1 393 . 1 1 105 105 ALA CA C 13 52.42 0.05 . 1 . . . . 105 ALA CA . 16265 1 394 . 1 1 105 105 ALA CB C 13 18.78 0.05 . 1 . . . . 105 ALA CB . 16265 1 395 . 1 1 105 105 ALA N N 15 122.41 0.05 . 1 . . . . 105 ALA N . 16265 1 396 . 1 1 106 106 GLN H H 1 8.67 0.02 . 1 . . . . 106 GLN H . 16265 1 397 . 1 1 106 106 GLN CA C 13 59.44 0.05 . 1 . . . . 106 GLN CA . 16265 1 398 . 1 1 106 106 GLN CB C 13 28.10 0.05 . 1 . . . . 106 GLN CB . 16265 1 399 . 1 1 106 106 GLN N N 15 123.28 0.05 . 1 . . . . 106 GLN N . 16265 1 400 . 1 1 107 107 SER H H 1 8.53 0.02 . 1 . . . . 107 SER H . 16265 1 401 . 1 1 107 107 SER CA C 13 61.07 0.05 . 1 . . . . 107 SER CA . 16265 1 402 . 1 1 107 107 SER CB C 13 60.77 0.05 . 1 . . . . 107 SER CB . 16265 1 403 . 1 1 107 107 SER N N 15 111.63 0.05 . 1 . . . . 107 SER N . 16265 1 404 . 1 1 108 108 LEU H H 1 6.90 0.02 . 1 . . . . 108 LEU H . 16265 1 405 . 1 1 108 108 LEU CA C 13 57.13 0.05 . 1 . . . . 108 LEU CA . 16265 1 406 . 1 1 108 108 LEU CB C 13 41.69 0.05 . 1 . . . . 108 LEU CB . 16265 1 407 . 1 1 108 108 LEU N N 15 125.21 0.05 . 1 . . . . 108 LEU N . 16265 1 408 . 1 1 109 109 LEU H H 1 7.69 0.02 . 1 . . . . 109 LEU H . 16265 1 409 . 1 1 109 109 LEU CA C 13 58.39 0.05 . 1 . . . . 109 LEU CA . 16265 1 410 . 1 1 109 109 LEU CB C 13 38.76 0.05 . 1 . . . . 109 LEU CB . 16265 1 411 . 1 1 109 109 LEU N N 15 118.43 0.05 . 1 . . . . 109 LEU N . 16265 1 412 . 1 1 110 110 GLU H H 1 8.24 0.02 . 1 . . . . 110 GLU H . 16265 1 413 . 1 1 110 110 GLU CA C 13 59.42 0.05 . 1 . . . . 110 GLU CA . 16265 1 414 . 1 1 110 110 GLU CB C 13 28.94 0.05 . 1 . . . . 110 GLU CB . 16265 1 415 . 1 1 110 110 GLU N N 15 117.85 0.05 . 1 . . . . 110 GLU N . 16265 1 416 . 1 1 111 111 GLN H H 1 7.48 0.02 . 1 . . . . 111 GLN H . 16265 1 417 . 1 1 111 111 GLN CA C 13 59.40 0.05 . 1 . . . . 111 GLN CA . 16265 1 418 . 1 1 111 111 GLN CB C 13 28.09 0.05 . 1 . . . . 111 GLN CB . 16265 1 419 . 1 1 111 111 GLN N N 15 118.92 0.05 . 1 . . . . 111 GLN N . 16265 1 420 . 1 1 112 112 ILE H H 1 8.07 0.02 . 1 . . . . 112 ILE H . 16265 1 421 . 1 1 112 112 ILE CA C 13 65.24 0.05 . 1 . . . . 112 ILE CA . 16265 1 422 . 1 1 112 112 ILE CB C 13 37.42 0.05 . 1 . . . . 112 ILE CB . 16265 1 423 . 1 1 112 112 ILE N N 15 118.01 0.05 . 1 . . . . 112 ILE N . 16265 1 424 . 1 1 113 113 ARG H H 1 7.97 0.02 . 1 . . . . 113 ARG H . 16265 1 425 . 1 1 113 113 ARG CA C 13 59.83 0.05 . 1 . . . . 113 ARG CA . 16265 1 426 . 1 1 113 113 ARG CB C 13 30.29 0.05 . 1 . . . . 113 ARG CB . 16265 1 427 . 1 1 113 113 ARG N N 15 120.08 0.05 . 1 . . . . 113 ARG N . 16265 1 428 . 1 1 114 114 ASP H H 1 7.43 0.02 . 1 . . . . 114 ASP H . 16265 1 429 . 1 1 114 114 ASP CA C 13 54.51 0.05 . 1 . . . . 114 ASP CA . 16265 1 430 . 1 1 114 114 ASP CB C 13 41.03 0.05 . 1 . . . . 114 ASP CB . 16265 1 431 . 1 1 114 114 ASP N N 15 115.80 0.05 . 1 . . . . 114 ASP N . 16265 1 432 . 1 1 115 115 ILE H H 1 7.06 0.02 . 1 . . . . 115 ILE H . 16265 1 433 . 1 1 115 115 ILE CA C 13 64.56 0.05 . 1 . . . . 115 ILE CA . 16265 1 434 . 1 1 115 115 ILE CB C 13 37.38 0.05 . 1 . . . . 115 ILE CB . 16265 1 435 . 1 1 115 115 ILE N N 15 122.18 0.05 . 1 . . . . 115 ILE N . 16265 1 436 . 1 1 116 116 ASP H H 1 8.69 0.02 . 1 . . . . 116 ASP H . 16265 1 437 . 1 1 116 116 ASP CA C 13 52.78 0.05 . 1 . . . . 116 ASP CA . 16265 1 438 . 1 1 116 116 ASP CB C 13 41.42 0.05 . 1 . . . . 116 ASP CB . 16265 1 439 . 1 1 116 116 ASP N N 15 129.94 0.05 . 1 . . . . 116 ASP N . 16265 1 440 . 1 1 117 117 GLY H H 1 7.10 0.02 . 1 . . . . 117 GLY H . 16265 1 441 . 1 1 117 117 GLY CA C 13 44.65 0.05 . 1 . . . . 117 GLY CA . 16265 1 442 . 1 1 117 117 GLY N N 15 108.37 0.05 . 1 . . . . 117 GLY N . 16265 1 443 . 1 1 118 118 ASP H H 1 7.18 0.02 . 1 . . . . 118 ASP H . 16265 1 444 . 1 1 118 118 ASP CA C 13 53.70 0.05 . 1 . . . . 118 ASP CA . 16265 1 445 . 1 1 118 118 ASP CB C 13 42.45 0.05 . 1 . . . . 118 ASP CB . 16265 1 446 . 1 1 118 118 ASP N N 15 115.59 0.05 . 1 . . . . 118 ASP N . 16265 1 447 . 1 1 119 119 PHE H H 1 8.06 0.02 . 1 . . . . 119 PHE H . 16265 1 448 . 1 1 119 119 PHE CA C 13 57.14 0.05 . 1 . . . . 119 PHE CA . 16265 1 449 . 1 1 119 119 PHE CB C 13 43.17 0.05 . 1 . . . . 119 PHE CB . 16265 1 450 . 1 1 119 119 PHE N N 15 120.67 0.05 . 1 . . . . 119 PHE N . 16265 1 451 . 1 1 120 120 GLU H H 1 8.43 0.02 . 1 . . . . 120 GLU H . 16265 1 452 . 1 1 120 120 GLU CA C 13 54.84 0.05 . 1 . . . . 120 GLU CA . 16265 1 453 . 1 1 120 120 GLU CB C 13 29.52 0.05 . 1 . . . . 120 GLU CB . 16265 1 454 . 1 1 120 120 GLU N N 15 123.61 0.05 . 1 . . . . 120 GLU N . 16265 1 455 . 1 1 121 121 PHE H H 1 9.34 0.02 . 1 . . . . 121 PHE H . 16265 1 456 . 1 1 121 121 PHE CA C 13 58.28 0.05 . 1 . . . . 121 PHE CA . 16265 1 457 . 1 1 121 121 PHE CB C 13 42.93 0.05 . 1 . . . . 121 PHE CB . 16265 1 458 . 1 1 121 121 PHE N N 15 126.70 0.05 . 1 . . . . 121 PHE N . 16265 1 459 . 1 1 122 122 GLU H H 1 9.44 0.02 . 1 . . . . 122 GLU H . 16265 1 460 . 1 1 122 122 GLU CA C 13 55.24 0.05 . 1 . . . . 122 GLU CA . 16265 1 461 . 1 1 122 122 GLU CB C 13 34.19 0.05 . 1 . . . . 122 GLU CB . 16265 1 462 . 1 1 122 122 GLU N N 15 124.57 0.05 . 1 . . . . 122 GLU N . 16265 1 463 . 1 1 123 123 THR H H 1 8.38 0.02 . 1 . . . . 123 THR H . 16265 1 464 . 1 1 123 123 THR CA C 13 61.77 0.05 . 1 . . . . 123 THR CA . 16265 1 465 . 1 1 123 123 THR CB C 13 69.25 0.05 . 1 . . . . 123 THR CB . 16265 1 466 . 1 1 123 123 THR N N 15 120.52 0.05 . 1 . . . . 123 THR N . 16265 1 467 . 1 1 124 124 TYR H H 1 9.50 0.02 . 1 . . . . 124 TYR H . 16265 1 468 . 1 1 124 124 TYR CA C 13 58.68 0.05 . 1 . . . . 124 TYR CA . 16265 1 469 . 1 1 124 124 TYR CB C 13 40.75 0.05 . 1 . . . . 124 TYR CB . 16265 1 470 . 1 1 124 124 TYR N N 15 125.03 0.05 . 1 . . . . 124 TYR N . 16265 1 471 . 1 1 125 125 TYR H H 1 8.88 0.02 . 1 . . . . 125 TYR H . 16265 1 472 . 1 1 125 125 TYR CA C 13 55.17 0.05 . 1 . . . . 125 TYR CA . 16265 1 473 . 1 1 125 125 TYR CB C 13 42.70 0.05 . 1 . . . . 125 TYR CB . 16265 1 474 . 1 1 125 125 TYR N N 15 116.61 0.05 . 1 . . . . 125 TYR N . 16265 1 475 . 1 1 126 126 SER H H 1 7.11 0.02 . 1 . . . . 126 SER H . 16265 1 476 . 1 1 126 126 SER CA C 13 56.38 0.05 . 1 . . . . 126 SER CA . 16265 1 477 . 1 1 126 126 SER CB C 13 65.00 0.05 . 1 . . . . 126 SER CB . 16265 1 478 . 1 1 126 126 SER N N 15 112.84 0.05 . 1 . . . . 126 SER N . 16265 1 479 . 1 1 127 127 LEU H H 1 9.92 0.02 . 1 . . . . 127 LEU H . 16265 1 480 . 1 1 127 127 LEU CA C 13 59.53 0.05 . 1 . . . . 127 LEU CA . 16265 1 481 . 1 1 127 127 LEU CB C 13 42.45 0.05 . 1 . . . . 127 LEU CB . 16265 1 482 . 1 1 127 127 LEU N N 15 131.00 0.05 . 1 . . . . 127 LEU N . 16265 1 483 . 1 1 128 128 SER CA C 13 58.82 0.05 . 1 . . . . 128 SER CA . 16265 1 484 . 1 1 128 128 SER CB C 13 63.78 0.05 . 1 . . . . 128 SER CB . 16265 1 485 . 1 1 129 129 CYS H H 1 7.36 0.02 . 1 . . . . 129 CYS H . 16265 1 486 . 1 1 129 129 CYS CA C 13 54.80 0.05 . 1 . . . . 129 CYS CA . 16265 1 487 . 1 1 129 129 CYS CB C 13 17.99 0.05 . 1 . . . . 129 CYS CB . 16265 1 488 . 1 1 129 129 CYS N N 15 120.09 0.05 . 1 . . . . 129 CYS N . 16265 1 489 . 1 1 130 130 HIS H H 1 7.55 0.02 . 1 . . . . 130 HIS H . 16265 1 490 . 1 1 130 130 HIS CA C 13 59.43 0.05 . 1 . . . . 130 HIS CA . 16265 1 491 . 1 1 130 130 HIS CB C 13 29.84 0.05 . 1 . . . . 130 HIS CB . 16265 1 492 . 1 1 130 130 HIS N N 15 116.52 0.05 . 1 . . . . 130 HIS N . 16265 1 493 . 1 1 131 131 ASN H H 1 7.61 0.02 . 1 . . . . 131 ASN H . 16265 1 494 . 1 1 131 131 ASN CA C 13 53.85 0.05 . 1 . . . . 131 ASN CA . 16265 1 495 . 1 1 131 131 ASN CB C 13 40.15 0.05 . 1 . . . . 131 ASN CB . 16265 1 496 . 1 1 131 131 ASN N N 15 119.20 0.05 . 1 . . . . 131 ASN N . 16265 1 497 . 1 1 132 132 CYS H H 1 8.14 0.02 . 1 . . . . 132 CYS H . 16265 1 498 . 1 1 132 132 CYS CA C 13 58.29 0.05 . 1 . . . . 132 CYS CA . 16265 1 499 . 1 1 132 132 CYS CB C 13 39.74 0.05 . 1 . . . . 132 CYS CB . 16265 1 500 . 1 1 132 132 CYS N N 15 116.98 0.05 . 1 . . . . 132 CYS N . 16265 1 501 . 1 1 133 133 PRO CA C 13 63.31 0.05 . 1 . . . . 133 PRO CA . 16265 1 502 . 1 1 133 133 PRO CB C 13 32.36 0.05 . 1 . . . . 133 PRO CB . 16265 1 503 . 1 1 134 134 ASP CA C 13 57.96 0.05 . 1 . . . . 134 ASP CA . 16265 1 504 . 1 1 134 134 ASP CB C 13 40.34 0.05 . 1 . . . . 134 ASP CB . 16265 1 505 . 1 1 135 135 VAL H H 1 6.99 0.02 . 1 . . . . 135 VAL H . 16265 1 506 . 1 1 135 135 VAL CA C 13 66.30 0.05 . 1 . . . . 135 VAL CA . 16265 1 507 . 1 1 135 135 VAL CB C 13 31.87 0.05 . 1 . . . . 135 VAL CB . 16265 1 508 . 1 1 135 135 VAL N N 15 118.94 0.05 . 1 . . . . 135 VAL N . 16265 1 509 . 1 1 136 136 VAL H H 1 7.62 0.02 . 1 . . . . 136 VAL H . 16265 1 510 . 1 1 136 136 VAL CA C 13 67.05 0.05 . 1 . . . . 136 VAL CA . 16265 1 511 . 1 1 136 136 VAL CB C 13 32.62 0.05 . 1 . . . . 136 VAL CB . 16265 1 512 . 1 1 136 136 VAL N N 15 118.47 0.05 . 1 . . . . 136 VAL N . 16265 1 513 . 1 1 137 137 GLN H H 1 8.84 0.02 . 1 . . . . 137 GLN H . 16265 1 514 . 1 1 137 137 GLN CA C 13 59.36 0.05 . 1 . . . . 137 GLN CA . 16265 1 515 . 1 1 137 137 GLN CB C 13 28.35 0.05 . 1 . . . . 137 GLN CB . 16265 1 516 . 1 1 137 137 GLN N N 15 115.88 0.05 . 1 . . . . 137 GLN N . 16265 1 517 . 1 1 138 138 ALA H H 1 7.24 0.02 . 1 . . . . 138 ALA H . 16265 1 518 . 1 1 138 138 ALA CA C 13 55.60 0.05 . 1 . . . . 138 ALA CA . 16265 1 519 . 1 1 138 138 ALA CB C 13 18.67 0.05 . 1 . . . . 138 ALA CB . 16265 1 520 . 1 1 138 138 ALA N N 15 121.70 0.05 . 1 . . . . 138 ALA N . 16265 1 521 . 1 1 139 139 LEU H H 1 7.14 0.02 . 1 . . . . 139 LEU H . 16265 1 522 . 1 1 139 139 LEU CA C 13 56.87 0.05 . 1 . . . . 139 LEU CA . 16265 1 523 . 1 1 139 139 LEU CB C 13 37.03 0.05 . 1 . . . . 139 LEU CB . 16265 1 524 . 1 1 139 139 LEU N N 15 116.38 0.05 . 1 . . . . 139 LEU N . 16265 1 525 . 1 1 140 140 ASN H H 1 8.38 0.02 . 1 . . . . 140 ASN H . 16265 1 526 . 1 1 140 140 ASN CA C 13 55.64 0.05 . 1 . . . . 140 ASN CA . 16265 1 527 . 1 1 140 140 ASN CB C 13 37.11 0.05 . 1 . . . . 140 ASN CB . 16265 1 528 . 1 1 140 140 ASN N N 15 117.60 0.05 . 1 . . . . 140 ASN N . 16265 1 529 . 1 1 141 141 LEU H H 1 8.16 0.02 . 1 . . . . 141 LEU H . 16265 1 530 . 1 1 141 141 LEU CA C 13 57.97 0.05 . 1 . . . . 141 LEU CA . 16265 1 531 . 1 1 141 141 LEU CB C 13 39.62 0.05 . 1 . . . . 141 LEU CB . 16265 1 532 . 1 1 141 141 LEU N N 15 121.29 0.05 . 1 . . . . 141 LEU N . 16265 1 533 . 1 1 142 142 MET H H 1 7.33 0.02 . 1 . . . . 142 MET H . 16265 1 534 . 1 1 142 142 MET CA C 13 60.87 0.05 . 1 . . . . 142 MET CA . 16265 1 535 . 1 1 142 142 MET CB C 13 33.66 0.05 . 1 . . . . 142 MET CB . 16265 1 536 . 1 1 142 142 MET N N 15 115.85 0.05 . 1 . . . . 142 MET N . 16265 1 537 . 1 1 143 143 ALA H H 1 7.39 0.02 . 1 . . . . 143 ALA H . 16265 1 538 . 1 1 143 143 ALA CA C 13 53.73 0.05 . 1 . . . . 143 ALA CA . 16265 1 539 . 1 1 143 143 ALA CB C 13 17.84 0.05 . 1 . . . . 143 ALA CB . 16265 1 540 . 1 1 143 143 ALA N N 15 118.15 0.05 . 1 . . . . 143 ALA N . 16265 1 541 . 1 1 144 144 VAL H H 1 7.94 0.02 . 1 . . . . 144 VAL H . 16265 1 542 . 1 1 144 144 VAL CA C 13 65.51 0.05 . 1 . . . . 144 VAL CA . 16265 1 543 . 1 1 144 144 VAL CB C 13 30.03 0.05 . 1 . . . . 144 VAL CB . 16265 1 544 . 1 1 144 144 VAL N N 15 118.29 0.05 . 1 . . . . 144 VAL N . 16265 1 545 . 1 1 145 145 LEU H H 1 7.62 0.02 . 1 . . . . 145 LEU H . 16265 1 546 . 1 1 145 145 LEU CA C 13 54.09 0.05 . 1 . . . . 145 LEU CA . 16265 1 547 . 1 1 145 145 LEU CB C 13 44.10 0.05 . 1 . . . . 145 LEU CB . 16265 1 548 . 1 1 145 145 LEU N N 15 117.01 0.05 . 1 . . . . 145 LEU N . 16265 1 549 . 1 1 146 146 ASN H H 1 7.97 0.02 . 1 . . . . 146 ASN H . 16265 1 550 . 1 1 146 146 ASN CA C 13 49.64 0.05 . 1 . . . . 146 ASN CA . 16265 1 551 . 1 1 146 146 ASN CB C 13 41.11 0.05 . 1 . . . . 146 ASN CB . 16265 1 552 . 1 1 146 146 ASN N N 15 118.40 0.05 . 1 . . . . 146 ASN N . 16265 1 553 . 1 1 147 147 PRO CA C 13 63.87 0.05 . 1 . . . . 147 PRO CA . 16265 1 554 . 1 1 147 147 PRO CB C 13 31.79 0.05 . 1 . . . . 147 PRO CB . 16265 1 555 . 1 1 148 148 ARG H H 1 8.42 0.02 . 1 . . . . 148 ARG H . 16265 1 556 . 1 1 148 148 ARG CA C 13 57.22 0.05 . 1 . . . . 148 ARG CA . 16265 1 557 . 1 1 148 148 ARG CB C 13 30.30 0.05 . 1 . . . . 148 ARG CB . 16265 1 558 . 1 1 148 148 ARG N N 15 118.30 0.05 . 1 . . . . 148 ARG N . 16265 1 559 . 1 1 149 149 ILE H H 1 8.10 0.02 . 1 . . . . 149 ILE H . 16265 1 560 . 1 1 149 149 ILE CA C 13 59.96 0.05 . 1 . . . . 149 ILE CA . 16265 1 561 . 1 1 149 149 ILE CB C 13 45.21 0.05 . 1 . . . . 149 ILE CB . 16265 1 562 . 1 1 149 149 ILE N N 15 121.67 0.05 . 1 . . . . 149 ILE N . 16265 1 563 . 1 1 150 150 LYS H H 1 8.91 0.02 . 1 . . . . 150 LYS H . 16265 1 564 . 1 1 150 150 LYS CA C 13 54.59 0.05 . 1 . . . . 150 LYS CA . 16265 1 565 . 1 1 150 150 LYS CB C 13 32.25 0.05 . 1 . . . . 150 LYS CB . 16265 1 566 . 1 1 150 150 LYS N N 15 125.50 0.05 . 1 . . . . 150 LYS N . 16265 1 567 . 1 1 151 151 HIS H H 1 8.89 0.02 . 1 . . . . 151 HIS H . 16265 1 568 . 1 1 151 151 HIS CA C 13 55.57 0.05 . 1 . . . . 151 HIS CA . 16265 1 569 . 1 1 151 151 HIS CB C 13 33.01 0.05 . 1 . . . . 151 HIS CB . 16265 1 570 . 1 1 151 151 HIS N N 15 119.60 0.05 . 1 . . . . 151 HIS N . 16265 1 571 . 1 1 152 152 THR H H 1 7.77 0.02 . 1 . . . . 152 THR H . 16265 1 572 . 1 1 152 152 THR CA C 13 60.81 0.05 . 1 . . . . 152 THR CA . 16265 1 573 . 1 1 152 152 THR CB C 13 69.60 0.05 . 1 . . . . 152 THR CB . 16265 1 574 . 1 1 152 152 THR N N 15 126.94 0.05 . 1 . . . . 152 THR N . 16265 1 575 . 1 1 153 153 ALA H H 1 8.45 0.02 . 1 . . . . 153 ALA H . 16265 1 576 . 1 1 153 153 ALA CA C 13 49.69 0.05 . 1 . . . . 153 ALA CA . 16265 1 577 . 1 1 153 153 ALA CB C 13 19.30 0.05 . 1 . . . . 153 ALA CB . 16265 1 578 . 1 1 153 153 ALA N N 15 131.13 0.05 . 1 . . . . 153 ALA N . 16265 1 579 . 1 1 154 154 ILE H H 1 9.59 0.02 . 1 . . . . 154 ILE H . 16265 1 580 . 1 1 154 154 ILE CA C 13 61.50 0.05 . 1 . . . . 154 ILE CA . 16265 1 581 . 1 1 154 154 ILE CB C 13 40.25 0.05 . 1 . . . . 154 ILE CB . 16265 1 582 . 1 1 154 154 ILE N N 15 125.82 0.05 . 1 . . . . 154 ILE N . 16265 1 583 . 1 1 155 155 ASP H H 1 8.44 0.02 . 1 . . . . 155 ASP H . 16265 1 584 . 1 1 155 155 ASP CA C 13 52.59 0.05 . 1 . . . . 155 ASP CA . 16265 1 585 . 1 1 155 155 ASP CB C 13 41.56 0.05 . 1 . . . . 155 ASP CB . 16265 1 586 . 1 1 155 155 ASP N N 15 125.57 0.05 . 1 . . . . 155 ASP N . 16265 1 587 . 1 1 156 156 GLY H H 1 9.48 0.02 . 1 . . . . 156 GLY H . 16265 1 588 . 1 1 156 156 GLY CA C 13 46.58 0.05 . 1 . . . . 156 GLY CA . 16265 1 589 . 1 1 156 156 GLY N N 15 119.62 0.05 . 1 . . . . 156 GLY N . 16265 1 590 . 1 1 157 157 GLY H H 1 8.49 0.02 . 1 . . . . 157 GLY H . 16265 1 591 . 1 1 157 157 GLY CA C 13 46.47 0.05 . 1 . . . . 157 GLY CA . 16265 1 592 . 1 1 157 157 GLY N N 15 105.80 0.05 . 1 . . . . 157 GLY N . 16265 1 593 . 1 1 158 158 THR H H 1 7.31 0.02 . 1 . . . . 158 THR H . 16265 1 594 . 1 1 158 158 THR CA C 13 64.98 0.05 . 1 . . . . 158 THR CA . 16265 1 595 . 1 1 158 158 THR CB C 13 69.09 0.05 . 1 . . . . 158 THR CB . 16265 1 596 . 1 1 158 158 THR N N 15 116.73 0.05 . 1 . . . . 158 THR N . 16265 1 597 . 1 1 159 159 PHE H H 1 7.68 0.02 . 1 . . . . 159 PHE H . 16265 1 598 . 1 1 159 159 PHE CA C 13 57.25 0.05 . 1 . . . . 159 PHE CA . 16265 1 599 . 1 1 159 159 PHE CB C 13 36.58 0.05 . 1 . . . . 159 PHE CB . 16265 1 600 . 1 1 159 159 PHE N N 15 122.74 0.05 . 1 . . . . 159 PHE N . 16265 1 601 . 1 1 160 160 GLN H H 1 7.53 0.02 . 1 . . . . 160 GLN H . 16265 1 602 . 1 1 160 160 GLN CA C 13 59.21 0.05 . 1 . . . . 160 GLN CA . 16265 1 603 . 1 1 160 160 GLN CB C 13 28.18 0.05 . 1 . . . . 160 GLN CB . 16265 1 604 . 1 1 160 160 GLN N N 15 120.34 0.05 . 1 . . . . 160 GLN N . 16265 1 605 . 1 1 161 161 ASN H H 1 8.81 0.02 . 1 . . . . 161 ASN H . 16265 1 606 . 1 1 161 161 ASN CA C 13 56.10 0.05 . 1 . . . . 161 ASN CA . 16265 1 607 . 1 1 161 161 ASN CB C 13 36.76 0.05 . 1 . . . . 161 ASN CB . 16265 1 608 . 1 1 161 161 ASN N N 15 116.52 0.05 . 1 . . . . 161 ASN N . 16265 1 609 . 1 1 162 162 GLU H H 1 7.49 0.02 . 1 . . . . 162 GLU H . 16265 1 610 . 1 1 162 162 GLU CA C 13 59.39 0.05 . 1 . . . . 162 GLU CA . 16265 1 611 . 1 1 162 162 GLU CB C 13 29.47 0.05 . 1 . . . . 162 GLU CB . 16265 1 612 . 1 1 162 162 GLU N N 15 119.55 0.05 . 1 . . . . 162 GLU N . 16265 1 613 . 1 1 163 163 ILE H H 1 6.88 0.02 . 1 . . . . 163 ILE H . 16265 1 614 . 1 1 163 163 ILE CA C 13 62.18 0.05 . 1 . . . . 163 ILE CA . 16265 1 615 . 1 1 163 163 ILE CB C 13 35.35 0.05 . 1 . . . . 163 ILE CB . 16265 1 616 . 1 1 163 163 ILE N N 15 117.68 0.05 . 1 . . . . 163 ILE N . 16265 1 617 . 1 1 164 164 THR H H 1 7.40 0.02 . 1 . . . . 164 THR H . 16265 1 618 . 1 1 164 164 THR CA C 13 65.76 0.05 . 1 . . . . 164 THR CA . 16265 1 619 . 1 1 164 164 THR CB C 13 68.44 0.05 . 1 . . . . 164 THR CB . 16265 1 620 . 1 1 164 164 THR N N 15 113.05 0.05 . 1 . . . . 164 THR N . 16265 1 621 . 1 1 165 165 GLU H H 1 8.34 0.02 . 1 . . . . 165 GLU H . 16265 1 622 . 1 1 165 165 GLU CA C 13 59.76 0.05 . 1 . . . . 165 GLU CA . 16265 1 623 . 1 1 165 165 GLU CB C 13 29.47 0.05 . 1 . . . . 165 GLU CB . 16265 1 624 . 1 1 165 165 GLU N N 15 123.04 0.05 . 1 . . . . 165 GLU N . 16265 1 625 . 1 1 166 166 ARG H H 1 7.87 0.02 . 1 . . . . 166 ARG H . 16265 1 626 . 1 1 166 166 ARG CA C 13 56.09 0.05 . 1 . . . . 166 ARG CA . 16265 1 627 . 1 1 166 166 ARG CB C 13 30.18 0.05 . 1 . . . . 166 ARG CB . 16265 1 628 . 1 1 166 166 ARG N N 15 114.32 0.05 . 1 . . . . 166 ARG N . 16265 1 629 . 1 1 167 167 ASN H H 1 7.63 0.02 . 1 . . . . 167 ASN H . 16265 1 630 . 1 1 167 167 ASN CA C 13 54.20 0.05 . 1 . . . . 167 ASN CA . 16265 1 631 . 1 1 167 167 ASN CB C 13 37.15 0.05 . 1 . . . . 167 ASN CB . 16265 1 632 . 1 1 167 167 ASN N N 15 117.21 0.05 . 1 . . . . 167 ASN N . 16265 1 633 . 1 1 168 168 VAL H H 1 8.07 0.02 . 1 . . . . 168 VAL H . 16265 1 634 . 1 1 168 168 VAL CA C 13 63.79 0.05 . 1 . . . . 168 VAL CA . 16265 1 635 . 1 1 168 168 VAL CB C 13 30.58 0.05 . 1 . . . . 168 VAL CB . 16265 1 636 . 1 1 168 168 VAL N N 15 118.69 0.05 . 1 . . . . 168 VAL N . 16265 1 637 . 1 1 169 169 MET H H 1 8.84 0.02 . 1 . . . . 169 MET H . 16265 1 638 . 1 1 169 169 MET CA C 13 55.39 0.05 . 1 . . . . 169 MET CA . 16265 1 639 . 1 1 169 169 MET CB C 13 32.13 0.05 . 1 . . . . 169 MET CB . 16265 1 640 . 1 1 169 169 MET N N 15 128.57 0.05 . 1 . . . . 169 MET N . 16265 1 641 . 1 1 170 170 GLY H H 1 7.53 0.02 . 1 . . . . 170 GLY H . 16265 1 642 . 1 1 170 170 GLY CA C 13 45.02 0.05 . 1 . . . . 170 GLY CA . 16265 1 643 . 1 1 170 170 GLY N N 15 108.31 0.05 . 1 . . . . 170 GLY N . 16265 1 644 . 1 1 171 171 VAL H H 1 8.03 0.02 . 1 . . . . 171 VAL H . 16265 1 645 . 1 1 171 171 VAL CA C 13 57.84 0.05 . 1 . . . . 171 VAL CA . 16265 1 646 . 1 1 171 171 VAL CB C 13 33.14 0.05 . 1 . . . . 171 VAL CB . 16265 1 647 . 1 1 171 171 VAL N N 15 109.68 0.05 . 1 . . . . 171 VAL N . 16265 1 648 . 1 1 172 172 PRO CA C 13 62.48 0.05 . 1 . . . . 172 PRO CA . 16265 1 649 . 1 1 172 172 PRO CB C 13 34.30 0.05 . 1 . . . . 172 PRO CB . 16265 1 650 . 1 1 173 173 ALA H H 1 7.89 0.02 . 1 . . . . 173 ALA H . 16265 1 651 . 1 1 173 173 ALA CA C 13 52.26 0.05 . 1 . . . . 173 ALA CA . 16265 1 652 . 1 1 173 173 ALA CB C 13 22.67 0.05 . 1 . . . . 173 ALA CB . 16265 1 653 . 1 1 173 173 ALA N N 15 124.65 0.05 . 1 . . . . 173 ALA N . 16265 1 654 . 1 1 174 174 VAL H H 1 8.93 0.02 . 1 . . . . 174 VAL H . 16265 1 655 . 1 1 174 174 VAL CA C 13 61.07 0.05 . 1 . . . . 174 VAL CA . 16265 1 656 . 1 1 174 174 VAL CB C 13 34.32 0.05 . 1 . . . . 174 VAL CB . 16265 1 657 . 1 1 174 174 VAL N N 15 122.32 0.05 . 1 . . . . 174 VAL N . 16265 1 658 . 1 1 175 175 PHE H H 1 10.21 0.02 . 1 . . . . 175 PHE H . 16265 1 659 . 1 1 175 175 PHE CA C 13 56.97 0.05 . 1 . . . . 175 PHE CA . 16265 1 660 . 1 1 175 175 PHE CB C 13 42.71 0.05 . 1 . . . . 175 PHE CB . 16265 1 661 . 1 1 175 175 PHE N N 15 130.99 0.05 . 1 . . . . 175 PHE N . 16265 1 662 . 1 1 176 176 VAL H H 1 9.90 0.02 . 1 . . . . 176 VAL H . 16265 1 663 . 1 1 176 176 VAL CA C 13 58.95 0.05 . 1 . . . . 176 VAL CA . 16265 1 664 . 1 1 176 176 VAL CB C 13 34.39 0.05 . 1 . . . . 176 VAL CB . 16265 1 665 . 1 1 176 176 VAL N N 15 120.45 0.05 . 1 . . . . 176 VAL N . 16265 1 666 . 1 1 177 177 ASN H H 1 9.20 0.02 . 1 . . . . 177 ASN H . 16265 1 667 . 1 1 177 177 ASN CA C 13 54.04 0.05 . 1 . . . . 177 ASN CA . 16265 1 668 . 1 1 177 177 ASN CB C 13 36.89 0.05 . 1 . . . . 177 ASN CB . 16265 1 669 . 1 1 177 177 ASN N N 15 128.30 0.05 . 1 . . . . 177 ASN N . 16265 1 670 . 1 1 178 178 GLY H H 1 9.07 0.02 . 1 . . . . 178 GLY H . 16265 1 671 . 1 1 178 178 GLY CA C 13 45.55 0.05 . 1 . . . . 178 GLY CA . 16265 1 672 . 1 1 178 178 GLY N N 15 102.41 0.05 . 1 . . . . 178 GLY N . 16265 1 673 . 1 1 179 179 LYS H H 1 8.30 0.02 . 1 . . . . 179 LYS H . 16265 1 674 . 1 1 179 179 LYS CA C 13 54.75 0.05 . 1 . . . . 179 LYS CA . 16265 1 675 . 1 1 179 179 LYS CB C 13 34.90 0.05 . 1 . . . . 179 LYS CB . 16265 1 676 . 1 1 179 179 LYS N N 15 121.37 0.05 . 1 . . . . 179 LYS N . 16265 1 677 . 1 1 180 180 GLU H H 1 9.25 0.02 . 1 . . . . 180 GLU H . 16265 1 678 . 1 1 180 180 GLU CA C 13 59.85 0.05 . 1 . . . . 180 GLU CA . 16265 1 679 . 1 1 180 180 GLU CB C 13 29.53 0.05 . 1 . . . . 180 GLU CB . 16265 1 680 . 1 1 180 180 GLU N N 15 123.44 0.05 . 1 . . . . 180 GLU N . 16265 1 681 . 1 1 181 181 PHE H H 1 8.95 0.02 . 1 . . . . 181 PHE H . 16265 1 682 . 1 1 181 181 PHE CA C 13 58.52 0.05 . 1 . . . . 181 PHE CA . 16265 1 683 . 1 1 181 181 PHE CB C 13 41.80 0.05 . 1 . . . . 181 PHE CB . 16265 1 684 . 1 1 181 181 PHE N N 15 125.53 0.05 . 1 . . . . 181 PHE N . 16265 1 685 . 1 1 182 182 GLY H H 1 7.72 0.02 . 1 . . . . 182 GLY H . 16265 1 686 . 1 1 182 182 GLY CA C 13 45.68 0.05 . 1 . . . . 182 GLY CA . 16265 1 687 . 1 1 182 182 GLY N N 15 104.61 0.05 . 1 . . . . 182 GLY N . 16265 1 688 . 1 1 183 183 GLN H H 1 8.33 0.02 . 1 . . . . 183 GLN H . 16265 1 689 . 1 1 183 183 GLN CA C 13 55.17 0.05 . 1 . . . . 183 GLN CA . 16265 1 690 . 1 1 183 183 GLN CB C 13 31.97 0.05 . 1 . . . . 183 GLN CB . 16265 1 691 . 1 1 183 183 GLN N N 15 119.44 0.05 . 1 . . . . 183 GLN N . 16265 1 692 . 1 1 184 184 GLY H H 1 8.05 0.02 . 1 . . . . 184 GLY H . 16265 1 693 . 1 1 184 184 GLY CA C 13 44.21 0.05 . 1 . . . . 184 GLY CA . 16265 1 694 . 1 1 184 184 GLY N N 15 109.02 0.05 . 1 . . . . 184 GLY N . 16265 1 695 . 1 1 185 185 ARG H H 1 8.22 0.02 . 1 . . . . 185 ARG H . 16265 1 696 . 1 1 185 185 ARG CA C 13 58.23 0.05 . 1 . . . . 185 ARG CA . 16265 1 697 . 1 1 185 185 ARG CB C 13 30.29 0.05 . 1 . . . . 185 ARG CB . 16265 1 698 . 1 1 185 185 ARG N N 15 117.66 0.05 . 1 . . . . 185 ARG N . 16265 1 699 . 1 1 186 186 MET H H 1 6.92 0.02 . 1 . . . . 186 MET H . 16265 1 700 . 1 1 186 186 MET CA C 13 54.88 0.05 . 1 . . . . 186 MET CA . 16265 1 701 . 1 1 186 186 MET CB C 13 20.98 0.05 . 1 . . . . 186 MET CB . 16265 1 702 . 1 1 186 186 MET N N 15 122.99 0.05 . 1 . . . . 186 MET N . 16265 1 703 . 1 1 187 187 THR H H 1 8.17 0.02 . 1 . . . . 187 THR H . 16265 1 704 . 1 1 187 187 THR CA C 13 59.66 0.05 . 1 . . . . 187 THR CA . 16265 1 705 . 1 1 187 187 THR CB C 13 71.55 0.05 . 1 . . . . 187 THR CB . 16265 1 706 . 1 1 187 187 THR N N 15 110.70 0.05 . 1 . . . . 187 THR N . 16265 1 707 . 1 1 188 188 LEU H H 1 8.99 0.02 . 1 . . . . 188 LEU H . 16265 1 708 . 1 1 188 188 LEU CA C 13 58.75 0.05 . 1 . . . . 188 LEU CA . 16265 1 709 . 1 1 188 188 LEU CB C 13 41.23 0.05 . 1 . . . . 188 LEU CB . 16265 1 710 . 1 1 188 188 LEU N N 15 121.41 0.05 . 1 . . . . 188 LEU N . 16265 1 711 . 1 1 189 189 THR H H 1 8.03 0.02 . 1 . . . . 189 THR H . 16265 1 712 . 1 1 189 189 THR CA C 13 67.05 0.05 . 1 . . . . 189 THR CA . 16265 1 713 . 1 1 189 189 THR CB C 13 68.57 0.05 . 1 . . . . 189 THR CB . 16265 1 714 . 1 1 189 189 THR N N 15 110.93 0.05 . 1 . . . . 189 THR N . 16265 1 715 . 1 1 190 190 GLU H H 1 7.39 0.02 . 1 . . . . 190 GLU H . 16265 1 716 . 1 1 190 190 GLU CA C 13 58.92 0.05 . 1 . . . . 190 GLU CA . 16265 1 717 . 1 1 190 190 GLU CB C 13 30.11 0.05 . 1 . . . . 190 GLU CB . 16265 1 718 . 1 1 190 190 GLU N N 15 122.06 0.05 . 1 . . . . 190 GLU N . 16265 1 719 . 1 1 191 191 ILE H H 1 8.23 0.02 . 1 . . . . 191 ILE H . 16265 1 720 . 1 1 191 191 ILE CA C 13 66.46 0.05 . 1 . . . . 191 ILE CA . 16265 1 721 . 1 1 191 191 ILE CB C 13 38.57 0.05 . 1 . . . . 191 ILE CB . 16265 1 722 . 1 1 191 191 ILE N N 15 120.90 0.05 . 1 . . . . 191 ILE N . 16265 1 723 . 1 1 192 192 VAL H H 1 8.27 0.02 . 1 . . . . 192 VAL H . 16265 1 724 . 1 1 192 192 VAL CA C 13 67.45 0.05 . 1 . . . . 192 VAL CA . 16265 1 725 . 1 1 192 192 VAL CB C 13 31.72 0.05 . 1 . . . . 192 VAL CB . 16265 1 726 . 1 1 192 192 VAL N N 15 118.05 0.05 . 1 . . . . 192 VAL N . 16265 1 727 . 1 1 193 193 ALA H H 1 7.59 0.02 . 1 . . . . 193 ALA H . 16265 1 728 . 1 1 193 193 ALA CA C 13 54.59 0.05 . 1 . . . . 193 ALA CA . 16265 1 729 . 1 1 193 193 ALA CB C 13 18.27 0.05 . 1 . . . . 193 ALA CB . 16265 1 730 . 1 1 193 193 ALA N N 15 119.29 0.05 . 1 . . . . 193 ALA N . 16265 1 731 . 1 1 194 194 LYS H H 1 7.54 0.02 . 1 . . . . 194 LYS H . 16265 1 732 . 1 1 194 194 LYS CA C 13 58.34 0.05 . 1 . . . . 194 LYS CA . 16265 1 733 . 1 1 194 194 LYS CB C 13 33.66 0.05 . 1 . . . . 194 LYS CB . 16265 1 734 . 1 1 194 194 LYS N N 15 116.28 0.05 . 1 . . . . 194 LYS N . 16265 1 735 . 1 1 195 195 VAL H H 1 7.69 0.02 . 1 . . . . 195 VAL H . 16265 1 736 . 1 1 195 195 VAL CA C 13 63.74 0.05 . 1 . . . . 195 VAL CA . 16265 1 737 . 1 1 195 195 VAL CB C 13 31.79 0.05 . 1 . . . . 195 VAL CB . 16265 1 738 . 1 1 195 195 VAL N N 15 116.12 0.05 . 1 . . . . 195 VAL N . 16265 1 739 . 1 1 196 196 ASP H H 1 8.07 0.02 . 1 . . . . 196 ASP H . 16265 1 740 . 1 1 196 196 ASP CA C 13 54.46 0.05 . 1 . . . . 196 ASP CA . 16265 1 741 . 1 1 196 196 ASP CB C 13 40.91 0.05 . 1 . . . . 196 ASP CB . 16265 1 742 . 1 1 196 196 ASP N N 15 121.62 0.05 . 1 . . . . 196 ASP N . 16265 1 743 . 1 1 197 197 THR H H 1 7.95 0.02 . 1 . . . . 197 THR H . 16265 1 744 . 1 1 197 197 THR CA C 13 62.61 0.05 . 1 . . . . 197 THR CA . 16265 1 745 . 1 1 197 197 THR CB C 13 69.61 0.05 . 1 . . . . 197 THR CB . 16265 1 746 . 1 1 197 197 THR N N 15 113.89 0.05 . 1 . . . . 197 THR N . 16265 1 747 . 1 1 198 198 GLY H H 1 8.42 0.02 . 1 . . . . 198 GLY H . 16265 1 748 . 1 1 198 198 GLY CA C 13 45.63 0.05 . 1 . . . . 198 GLY CA . 16265 1 749 . 1 1 198 198 GLY N N 15 111.22 0.05 . 1 . . . . 198 GLY N . 16265 1 750 . 1 1 199 199 ALA H H 1 7.98 0.02 . 1 . . . . 199 ALA H . 16265 1 751 . 1 1 199 199 ALA CA C 13 52.91 0.05 . 1 . . . . 199 ALA CA . 16265 1 752 . 1 1 199 199 ALA CB C 13 19.43 0.05 . 1 . . . . 199 ALA CB . 16265 1 753 . 1 1 199 199 ALA N N 15 123.67 0.05 . 1 . . . . 199 ALA N . 16265 1 754 . 1 1 200 200 GLU H H 1 8.36 0.02 . 1 . . . . 200 GLU H . 16265 1 755 . 1 1 200 200 GLU CA C 13 56.95 0.05 . 1 . . . . 200 GLU CA . 16265 1 756 . 1 1 200 200 GLU CB C 13 30.29 0.05 . 1 . . . . 200 GLU CB . 16265 1 757 . 1 1 200 200 GLU N N 15 119.68 0.05 . 1 . . . . 200 GLU N . 16265 1 758 . 1 1 201 201 LYS H H 1 8.21 0.02 . 1 . . . . 201 LYS H . 16265 1 759 . 1 1 201 201 LYS CA C 13 56.03 0.05 . 1 . . . . 201 LYS CA . 16265 1 760 . 1 1 201 201 LYS CB C 13 32.75 0.05 . 1 . . . . 201 LYS CB . 16265 1 761 . 1 1 201 201 LYS N N 15 123.17 0.05 . 1 . . . . 201 LYS N . 16265 1 762 . 1 1 202 202 ARG H H 1 7.92 0.02 . 1 . . . . 202 ARG H . 16265 1 763 . 1 1 202 202 ARG CA C 13 57.32 0.05 . 1 . . . . 202 ARG CA . 16265 1 764 . 1 1 202 202 ARG CB C 13 31.59 0.05 . 1 . . . . 202 ARG CB . 16265 1 765 . 1 1 202 202 ARG N N 15 128.19 0.05 . 1 . . . . 202 ARG N . 16265 1 stop_ save_