data_6373 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6373 _Entry.Title ; 1H, 13C and 15N backbone resonance assignments of LexA catalytic domain with the L89P/Q92W/D150H/E152A/K156A mutations ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-29 _Entry.Accession_date 2004-11-01 _Entry.Last_release_date 2005-06-03 _Entry.Original_release_date 2005-06-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mark Okon . . . 6373 2 Richard Pfuetzner . A. . 6373 3 Marija Vockovic . . . 6373 4 John Little . W. . 6373 5 Natalie Strynadka . C.J. . 6373 6 Lawrence McIntosh . P. . 6373 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6373 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 6373 '15N chemical shifts' 125 6373 '1H chemical shifts' 125 6373 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 1 . . 2005-06-03 2004-10-29 original author . 6373 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6373 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15929009 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone chemical shift assignments of the LexA catalytic domain in its active conformation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 4 _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 371 _Citation.Page_last 372 _Citation.Year 2005 _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 Mark Okon . . . 6373 1 2 Richard Pfuetzner . A. . 6373 1 3 Marija Vockovic . . . 6373 1 4 John Little . W. . 6373 1 5 Natalie Strynadka . C.J. . 6373 1 6 Lawrence McIntosh . P. . 6373 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_LexA _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_LexA _Assembly.Entry_ID 6373 _Assembly.ID 1 _Assembly.Name 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6373 1 stop_ 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 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant, chain 1' 1 $catalytic_domain_of_LexA_mutant . . . native . . 1 . . 6373 1 2 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant, chain 2' 1 $catalytic_domain_of_LexA_mutant . . . native . . 1 . . 6373 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant dimer' abbreviation 6373 1 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant dimer' system 6373 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_catalytic_domain_of_LexA_mutant _Entity.Sf_category entity _Entity.Sf_framecode catalytic_domain_of_LexA_mutant _Entity.Entry_ID 6373 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant' _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 ; LLQEEEEGLPLVGRVAAGEP LPAQWHIEGHYQVDPSLFKP NADFLLRVSGMSMKDIGIMD GDLLAVHKTQDVRNGQVVVA RIHDAVTVARLKKQGNKVEL LPENSEFKPIVVDLRQQSFT IEGLAVGVIRNGDWL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14850 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JHE . "Lexa L89p Q92w E152a K156a Mutant" . . . . . 100.00 135 99.26 99.26 4.56e-90 . . . . 6373 1 2 no PDB 3JSO . "Classic Protein With A New Twist: Crystal Structure Of A Lexa Repressor Dna Complex" . . . . . 100.00 202 97.04 97.04 3.58e-86 . . . . 6373 1 3 no PDB 3JSP . "Classic Protein With A New Twist: Crystal Structure Of A Lexa Repressor Dna Complex" . . . . . 100.00 202 97.04 97.04 3.58e-86 . . . . 6373 1 4 no PDB 3K3R . "Unrefined Crystal Structure Of A Lexa-dna Complex" . . . . . 100.00 202 97.04 97.04 3.58e-86 . . . . 6373 1 5 no GB KFH80209 . "LexA repressor, partial [Escherichia coli]" . . . . . 73.33 99 96.97 96.97 4.97e-60 . . . . 6373 1 6 no GB KFH96244 . "LexA repressor, partial [Escherichia coli]" . . . . . 77.78 105 97.14 97.14 3.69e-65 . . . . 6373 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID repressor 6373 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant' abbreviation 6373 1 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant' common 6373 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 68 LEU . 6373 1 2 69 LEU . 6373 1 3 70 GLN . 6373 1 4 71 GLU . 6373 1 5 72 GLU . 6373 1 6 73 GLU . 6373 1 7 74 GLU . 6373 1 8 75 GLY . 6373 1 9 76 LEU . 6373 1 10 77 PRO . 6373 1 11 78 LEU . 6373 1 12 79 VAL . 6373 1 13 80 GLY . 6373 1 14 81 ARG . 6373 1 15 82 VAL . 6373 1 16 83 ALA . 6373 1 17 84 ALA . 6373 1 18 85 GLY . 6373 1 19 86 GLU . 6373 1 20 87 PRO . 6373 1 21 88 LEU . 6373 1 22 89 PRO . 6373 1 23 90 ALA . 6373 1 24 91 GLN . 6373 1 25 92 TRP . 6373 1 26 93 HIS . 6373 1 27 94 ILE . 6373 1 28 95 GLU . 6373 1 29 96 GLY . 6373 1 30 97 HIS . 6373 1 31 98 TYR . 6373 1 32 99 GLN . 6373 1 33 100 VAL . 6373 1 34 101 ASP . 6373 1 35 102 PRO . 6373 1 36 103 SER . 6373 1 37 104 LEU . 6373 1 38 105 PHE . 6373 1 39 106 LYS . 6373 1 40 107 PRO . 6373 1 41 108 ASN . 6373 1 42 109 ALA . 6373 1 43 110 ASP . 6373 1 44 111 PHE . 6373 1 45 112 LEU . 6373 1 46 113 LEU . 6373 1 47 114 ARG . 6373 1 48 115 VAL . 6373 1 49 116 SER . 6373 1 50 117 GLY . 6373 1 51 118 MET . 6373 1 52 119 SER . 6373 1 53 120 MET . 6373 1 54 121 LYS . 6373 1 55 122 ASP . 6373 1 56 123 ILE . 6373 1 57 124 GLY . 6373 1 58 125 ILE . 6373 1 59 126 MET . 6373 1 60 127 ASP . 6373 1 61 128 GLY . 6373 1 62 129 ASP . 6373 1 63 130 LEU . 6373 1 64 131 LEU . 6373 1 65 132 ALA . 6373 1 66 133 VAL . 6373 1 67 134 HIS . 6373 1 68 135 LYS . 6373 1 69 136 THR . 6373 1 70 137 GLN . 6373 1 71 138 ASP . 6373 1 72 139 VAL . 6373 1 73 140 ARG . 6373 1 74 141 ASN . 6373 1 75 142 GLY . 6373 1 76 143 GLN . 6373 1 77 144 VAL . 6373 1 78 145 VAL . 6373 1 79 146 VAL . 6373 1 80 147 ALA . 6373 1 81 148 ARG . 6373 1 82 149 ILE . 6373 1 83 150 HIS . 6373 1 84 151 ASP . 6373 1 85 152 ALA . 6373 1 86 153 VAL . 6373 1 87 154 THR . 6373 1 88 155 VAL . 6373 1 89 156 ALA . 6373 1 90 157 ARG . 6373 1 91 158 LEU . 6373 1 92 159 LYS . 6373 1 93 160 LYS . 6373 1 94 161 GLN . 6373 1 95 162 GLY . 6373 1 96 163 ASN . 6373 1 97 164 LYS . 6373 1 98 165 VAL . 6373 1 99 166 GLU . 6373 1 100 167 LEU . 6373 1 101 168 LEU . 6373 1 102 169 PRO . 6373 1 103 170 GLU . 6373 1 104 171 ASN . 6373 1 105 172 SER . 6373 1 106 173 GLU . 6373 1 107 174 PHE . 6373 1 108 175 LYS . 6373 1 109 176 PRO . 6373 1 110 177 ILE . 6373 1 111 178 VAL . 6373 1 112 179 VAL . 6373 1 113 180 ASP . 6373 1 114 181 LEU . 6373 1 115 182 ARG . 6373 1 116 183 GLN . 6373 1 117 184 GLN . 6373 1 118 185 SER . 6373 1 119 186 PHE . 6373 1 120 187 THR . 6373 1 121 188 ILE . 6373 1 122 189 GLU . 6373 1 123 190 GLY . 6373 1 124 191 LEU . 6373 1 125 192 ALA . 6373 1 126 193 VAL . 6373 1 127 194 GLY . 6373 1 128 195 VAL . 6373 1 129 196 ILE . 6373 1 130 197 ARG . 6373 1 131 198 ASN . 6373 1 132 199 GLY . 6373 1 133 200 ASP . 6373 1 134 201 TRP . 6373 1 135 202 LEU . 6373 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 . LEU 1 1 6373 1 . LEU 2 2 6373 1 . GLN 3 3 6373 1 . GLU 4 4 6373 1 . GLU 5 5 6373 1 . GLU 6 6 6373 1 . GLU 7 7 6373 1 . GLY 8 8 6373 1 . LEU 9 9 6373 1 . PRO 10 10 6373 1 . LEU 11 11 6373 1 . VAL 12 12 6373 1 . GLY 13 13 6373 1 . ARG 14 14 6373 1 . VAL 15 15 6373 1 . ALA 16 16 6373 1 . ALA 17 17 6373 1 . GLY 18 18 6373 1 . GLU 19 19 6373 1 . PRO 20 20 6373 1 . LEU 21 21 6373 1 . PRO 22 22 6373 1 . ALA 23 23 6373 1 . GLN 24 24 6373 1 . TRP 25 25 6373 1 . HIS 26 26 6373 1 . ILE 27 27 6373 1 . GLU 28 28 6373 1 . GLY 29 29 6373 1 . HIS 30 30 6373 1 . TYR 31 31 6373 1 . GLN 32 32 6373 1 . VAL 33 33 6373 1 . ASP 34 34 6373 1 . PRO 35 35 6373 1 . SER 36 36 6373 1 . LEU 37 37 6373 1 . PHE 38 38 6373 1 . LYS 39 39 6373 1 . PRO 40 40 6373 1 . ASN 41 41 6373 1 . ALA 42 42 6373 1 . ASP 43 43 6373 1 . PHE 44 44 6373 1 . LEU 45 45 6373 1 . LEU 46 46 6373 1 . ARG 47 47 6373 1 . VAL 48 48 6373 1 . SER 49 49 6373 1 . GLY 50 50 6373 1 . MET 51 51 6373 1 . SER 52 52 6373 1 . MET 53 53 6373 1 . LYS 54 54 6373 1 . ASP 55 55 6373 1 . ILE 56 56 6373 1 . GLY 57 57 6373 1 . ILE 58 58 6373 1 . MET 59 59 6373 1 . ASP 60 60 6373 1 . GLY 61 61 6373 1 . ASP 62 62 6373 1 . LEU 63 63 6373 1 . LEU 64 64 6373 1 . ALA 65 65 6373 1 . VAL 66 66 6373 1 . HIS 67 67 6373 1 . LYS 68 68 6373 1 . THR 69 69 6373 1 . GLN 70 70 6373 1 . ASP 71 71 6373 1 . VAL 72 72 6373 1 . ARG 73 73 6373 1 . ASN 74 74 6373 1 . GLY 75 75 6373 1 . GLN 76 76 6373 1 . VAL 77 77 6373 1 . VAL 78 78 6373 1 . VAL 79 79 6373 1 . ALA 80 80 6373 1 . ARG 81 81 6373 1 . ILE 82 82 6373 1 . HIS 83 83 6373 1 . ASP 84 84 6373 1 . ALA 85 85 6373 1 . VAL 86 86 6373 1 . THR 87 87 6373 1 . VAL 88 88 6373 1 . ALA 89 89 6373 1 . ARG 90 90 6373 1 . LEU 91 91 6373 1 . LYS 92 92 6373 1 . LYS 93 93 6373 1 . GLN 94 94 6373 1 . GLY 95 95 6373 1 . ASN 96 96 6373 1 . LYS 97 97 6373 1 . VAL 98 98 6373 1 . GLU 99 99 6373 1 . LEU 100 100 6373 1 . LEU 101 101 6373 1 . PRO 102 102 6373 1 . GLU 103 103 6373 1 . ASN 104 104 6373 1 . SER 105 105 6373 1 . GLU 106 106 6373 1 . PHE 107 107 6373 1 . LYS 108 108 6373 1 . PRO 109 109 6373 1 . ILE 110 110 6373 1 . VAL 111 111 6373 1 . VAL 112 112 6373 1 . ASP 113 113 6373 1 . LEU 114 114 6373 1 . ARG 115 115 6373 1 . GLN 116 116 6373 1 . GLN 117 117 6373 1 . SER 118 118 6373 1 . PHE 119 119 6373 1 . THR 120 120 6373 1 . ILE 121 121 6373 1 . GLU 122 122 6373 1 . GLY 123 123 6373 1 . LEU 124 124 6373 1 . ALA 125 125 6373 1 . VAL 126 126 6373 1 . GLY 127 127 6373 1 . VAL 128 128 6373 1 . ILE 129 129 6373 1 . ARG 130 130 6373 1 . ASN 131 131 6373 1 . GLY 132 132 6373 1 . ASP 133 133 6373 1 . TRP 134 134 6373 1 . LEU 135 135 6373 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 6373 _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 $catalytic_domain_of_LexA_mutant . . organism . . . . . Bacteria . . . . . . . . . . . . . . . . . . . . . . . . 6373 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 6373 _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 $catalytic_domain_of_LexA_mutant . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6373 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6373 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'catalytic domain of LexA L89P/Q92W/D150H/E152A/K156A mutant' '[U-13C; U-15N]' . . 1 $catalytic_domain_of_LexA_mutant . . 1 . . mM . . . . 6373 1 2 'Phosphate buffer' . . . . . . . 20 . . mM . . . . 6373 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6373 _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 7.0 0.1 pH 6373 1 temperature 303 0.1 K 6373 1 stop_ save_ ############################ # Computer software used # ############################ save_software _Software.Sf_category software _Software.Sf_framecode software _Software.Entry_ID 6373 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID VARIAN . . 6373 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6373 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6373 _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 NMR_spectrometer VARIAN UNITY-INOVA . 600 . . . 6373 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 6373 _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 '1H15N HSQC TROSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6373 1 2 'HNCA TROSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6373 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6373 1 4 (HB)CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6373 1 5 'HNCO TROSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6373 1 6 '15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6373 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6373 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6373 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'HNCA TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6373 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6373 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name (HB)CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6373 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'HNCO TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6373 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6373 _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 internal indirect 0.251449530 . . . . . . . . . 6373 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 6373 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 6373 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6373 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6373 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU CA C 13 55.62 0.3 . 1 . . . . . . . . 6373 1 2 . 1 1 2 2 LEU C C 13 176.89 0.1 . 1 . . . . . . . . 6373 1 3 . 1 1 2 2 LEU CB C 13 42.43 0.3 . 1 . . . . . . . . 6373 1 4 . 1 1 3 3 GLN H H 1 8.50 0.02 . 1 . . . . . . . . 6373 1 5 . 1 1 3 3 GLN N N 15 121.62 0.1 . 1 . . . . . . . . 6373 1 6 . 1 1 3 3 GLN CA C 13 56.46 0.3 . 1 . . . . . . . . 6373 1 7 . 1 1 3 3 GLN CB C 13 29.71 0.3 . 1 . . . . . . . . 6373 1 8 . 1 1 4 4 GLU CA C 13 56.46 0.3 . 1 . . . . . . . . 6373 1 9 . 1 1 4 4 GLU C C 13 176.06 0.1 . 1 . . . . . . . . 6373 1 10 . 1 1 4 4 GLU CB C 13 29.61 0.3 . 1 . . . . . . . . 6373 1 11 . 1 1 5 5 GLU H H 1 8.51 0.02 . 1 . . . . . . . . 6373 1 12 . 1 1 5 5 GLU N N 15 121.02 0.1 . 1 . . . . . . . . 6373 1 13 . 1 1 5 5 GLU CA C 13 57.14 0.3 . 1 . . . . . . . . 6373 1 14 . 1 1 5 5 GLU C C 13 176.61 0.1 . 1 . . . . . . . . 6373 1 15 . 1 1 5 5 GLU CB C 13 30.16 0.3 . 1 . . . . . . . . 6373 1 16 . 1 1 6 6 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 6373 1 17 . 1 1 6 6 GLU N N 15 120.41 0.1 . 1 . . . . . . . . 6373 1 18 . 1 1 6 6 GLU CA C 13 57.05 0.3 . 1 . . . . . . . . 6373 1 19 . 1 1 6 6 GLU C C 13 176.37 0.1 . 1 . . . . . . . . 6373 1 20 . 1 1 6 6 GLU CB C 13 30.47 0.3 . 1 . . . . . . . . 6373 1 21 . 1 1 7 7 GLU H H 1 8.08 0.02 . 1 . . . . . . . . 6373 1 22 . 1 1 7 7 GLU N N 15 120.75 0.1 . 1 . . . . . . . . 6373 1 23 . 1 1 7 7 GLU CA C 13 56.60 0.3 . 1 . . . . . . . . 6373 1 24 . 1 1 7 7 GLU C C 13 176.14 0.1 . 1 . . . . . . . . 6373 1 25 . 1 1 7 7 GLU CB C 13 30.68 0.3 . 1 . . . . . . . . 6373 1 26 . 1 1 8 8 GLY H H 1 8.15 0.02 . 1 . . . . . . . . 6373 1 27 . 1 1 8 8 GLY N N 15 107.40 0.1 . 1 . . . . . . . . 6373 1 28 . 1 1 8 8 GLY CA C 13 44.32 0.3 . 1 . . . . . . . . 6373 1 29 . 1 1 8 8 GLY C C 13 173.47 0.1 . 1 . . . . . . . . 6373 1 30 . 1 1 9 9 LEU H H 1 8.72 0.02 . 1 . . . . . . . . 6373 1 31 . 1 1 9 9 LEU N N 15 122.61 0.1 . 1 . . . . . . . . 6373 1 32 . 1 1 9 9 LEU CA C 13 52.09 0.3 . 1 . . . . . . . . 6373 1 33 . 1 1 9 9 LEU CB C 13 45.34 0.3 . 1 . . . . . . . . 6373 1 34 . 1 1 10 10 PRO CA C 13 62.45 0.3 . 1 . . . . . . . . 6373 1 35 . 1 1 10 10 PRO C C 13 176.73 0.1 . 1 . . . . . . . . 6373 1 36 . 1 1 10 10 PRO CB C 13 33.07 0.3 . 1 . . . . . . . . 6373 1 37 . 1 1 11 11 LEU H H 1 8.2 0.02 . 1 . . . . . . . . 6373 1 38 . 1 1 11 11 LEU N N 15 124.59 0.1 . 1 . . . . . . . . 6373 1 39 . 1 1 11 11 LEU CA C 13 53.7 0.3 . 1 . . . . . . . . 6373 1 40 . 1 1 11 11 LEU C C 13 177.39 0.1 . 1 . . . . . . . . 6373 1 41 . 1 1 11 11 LEU CB C 13 42.13 0.3 . 1 . . . . . . . . 6373 1 42 . 1 1 12 12 VAL H H 1 7.76 0.02 . 1 . . . . . . . . 6373 1 43 . 1 1 12 12 VAL N N 15 116.08 0.1 . 1 . . . . . . . . 6373 1 44 . 1 1 12 12 VAL CA C 13 60.24 0.3 . 1 . . . . . . . . 6373 1 45 . 1 1 12 12 VAL C C 13 173.14 0.1 . 1 . . . . . . . . 6373 1 46 . 1 1 12 12 VAL CB C 13 31.68 0.3 . 1 . . . . . . . . 6373 1 47 . 1 1 13 13 GLY H H 1 6.48 0.02 . 1 . . . . . . . . 6373 1 48 . 1 1 13 13 GLY N N 15 102.84 0.1 . 1 . . . . . . . . 6373 1 49 . 1 1 13 13 GLY CA C 13 44.82 0.3 . 1 . . . . . . . . 6373 1 50 . 1 1 13 13 GLY C C 13 172.13 0.1 . 1 . . . . . . . . 6373 1 51 . 1 1 14 14 ARG H H 1 8.57 0.02 . 1 . . . . . . . . 6373 1 52 . 1 1 14 14 ARG N N 15 120.18 0.1 . 1 . . . . . . . . 6373 1 53 . 1 1 14 14 ARG CA C 13 54.62 0.3 . 1 . . . . . . . . 6373 1 54 . 1 1 14 14 ARG C C 13 174.97 0.1 . 1 . . . . . . . . 6373 1 55 . 1 1 14 14 ARG CB C 13 34.47 0.3 . 1 . . . . . . . . 6373 1 56 . 1 1 15 15 VAL H H 1 8.42 0.02 . 1 . . . . . . . . 6373 1 57 . 1 1 15 15 VAL N N 15 116.64 0.1 . 1 . . . . . . . . 6373 1 58 . 1 1 15 15 VAL CA C 13 59.51 0.3 . 1 . . . . . . . . 6373 1 59 . 1 1 15 15 VAL C C 13 171.37 0.1 . 1 . . . . . . . . 6373 1 60 . 1 1 15 15 VAL CB C 13 34.93 0.3 . 1 . . . . . . . . 6373 1 61 . 1 1 16 16 ALA H H 1 6.79 0.02 . 1 . . . . . . . . 6373 1 62 . 1 1 16 16 ALA N N 15 129.17 0.1 . 1 . . . . . . . . 6373 1 63 . 1 1 16 16 ALA CA C 13 52.50 0.3 . 1 . . . . . . . . 6373 1 64 . 1 1 16 16 ALA C C 13 176.39 0.1 . 1 . . . . . . . . 6373 1 65 . 1 1 16 16 ALA CB C 13 22.33 0.3 . 1 . . . . . . . . 6373 1 66 . 1 1 17 17 ALA H H 1 8.67 0.02 . 1 . . . . . . . . 6373 1 67 . 1 1 17 17 ALA N N 15 131.09 0.1 . 1 . . . . . . . . 6373 1 68 . 1 1 17 17 ALA CA C 13 52.23 0.3 . 1 . . . . . . . . 6373 1 69 . 1 1 17 17 ALA C C 13 176.52 0.1 . 1 . . . . . . . . 6373 1 70 . 1 1 17 17 ALA CB C 13 18.11 0.3 . 1 . . . . . . . . 6373 1 71 . 1 1 18 18 GLY H H 1 6.53 0.02 . 1 . . . . . . . . 6373 1 72 . 1 1 18 18 GLY N N 15 104.93 0.1 . 1 . . . . . . . . 6373 1 73 . 1 1 18 18 GLY CA C 13 45.43 0.3 . 1 . . . . . . . . 6373 1 74 . 1 1 18 18 GLY C C 13 172.05 0.1 . 1 . . . . . . . . 6373 1 75 . 1 1 19 19 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 6373 1 76 . 1 1 19 19 GLU N N 15 124.65 0.1 . 1 . . . . . . . . 6373 1 77 . 1 1 19 19 GLU CA C 13 54.8 0.3 . 1 . . . . . . . . 6373 1 78 . 1 1 19 19 GLU CB C 13 30.01 0.3 . 1 . . . . . . . . 6373 1 79 . 1 1 20 20 PRO CA C 13 64.14 0.3 . 1 . . . . . . . . 6373 1 80 . 1 1 20 20 PRO C C 13 175.61 0.1 . 1 . . . . . . . . 6373 1 81 . 1 1 20 20 PRO CB C 13 32.33 0.3 . 1 . . . . . . . . 6373 1 82 . 1 1 21 21 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 6373 1 83 . 1 1 21 21 LEU N N 15 124.76 0.1 . 1 . . . . . . . . 6373 1 84 . 1 1 21 21 LEU CA C 13 51.16 0.3 . 1 . . . . . . . . 6373 1 85 . 1 1 21 21 LEU CB C 13 46.05 0.3 . 1 . . . . . . . . 6373 1 86 . 1 1 22 22 PRO CA C 13 63.39 0.3 . 1 . . . . . . . . 6373 1 87 . 1 1 22 22 PRO C C 13 176.11 0.1 . 1 . . . . . . . . 6373 1 88 . 1 1 22 22 PRO CB C 13 31.58 0.3 . 1 . . . . . . . . 6373 1 89 . 1 1 23 23 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 6373 1 90 . 1 1 23 23 ALA N N 15 126.34 0.1 . 1 . . . . . . . . 6373 1 91 . 1 1 23 23 ALA CA C 13 52.89 0.3 . 1 . . . . . . . . 6373 1 92 . 1 1 23 23 ALA C C 13 175.55 0.1 . 1 . . . . . . . . 6373 1 93 . 1 1 23 23 ALA CB C 13 21.57 0.3 . 1 . . . . . . . . 6373 1 94 . 1 1 24 24 GLN H H 1 8.5 0.02 . 1 . . . . . . . . 6373 1 95 . 1 1 24 24 GLN N N 15 123.67 0.1 . 1 . . . . . . . . 6373 1 96 . 1 1 24 24 GLN CA C 13 54.69 0.3 . 1 . . . . . . . . 6373 1 97 . 1 1 24 24 GLN C C 13 175.61 0.1 . 1 . . . . . . . . 6373 1 98 . 1 1 24 24 GLN CB C 13 28.96 0.3 . 1 . . . . . . . . 6373 1 99 . 1 1 25 25 TRP H H 1 8.51 0.02 . 1 . . . . . . . . 6373 1 100 . 1 1 25 25 TRP N N 15 126.52 0.1 . 1 . . . . . . . . 6373 1 101 . 1 1 25 25 TRP CA C 13 56.02 0.3 . 1 . . . . . . . . 6373 1 102 . 1 1 25 25 TRP C C 13 176.74 0.1 . 1 . . . . . . . . 6373 1 103 . 1 1 25 25 TRP CB C 13 29.6 0.3 . 1 . . . . . . . . 6373 1 104 . 1 1 25 25 TRP NE1 N 15 126.62 0.1 . 1 . . . . . . . . 6373 1 105 . 1 1 25 25 TRP HE1 H 1 9.82 0.03 . 1 . . . . . . . . 6373 1 106 . 1 1 26 26 HIS H H 1 8.98 0.02 . 1 . . . . . . . . 6373 1 107 . 1 1 26 26 HIS N N 15 120.89 0.1 . 1 . . . . . . . . 6373 1 108 . 1 1 26 26 HIS CA C 13 55.84 0.3 . 1 . . . . . . . . 6373 1 109 . 1 1 26 26 HIS C C 13 173.46 0.1 . 1 . . . . . . . . 6373 1 110 . 1 1 26 26 HIS CB C 13 31.19 0.3 . 1 . . . . . . . . 6373 1 111 . 1 1 27 27 ILE H H 1 8.46 0.02 . 1 . . . . . . . . 6373 1 112 . 1 1 27 27 ILE N N 15 123.01 0.1 . 1 . . . . . . . . 6373 1 113 . 1 1 27 27 ILE CA C 13 64.23 0.3 . 1 . . . . . . . . 6373 1 114 . 1 1 27 27 ILE C C 13 176.28 0.1 . 1 . . . . . . . . 6373 1 115 . 1 1 27 27 ILE CB C 13 37.84 0.3 . 1 . . . . . . . . 6373 1 116 . 1 1 28 28 GLU H H 1 8.88 0.02 . 1 . . . . . . . . 6373 1 117 . 1 1 28 28 GLU N N 15 126.56 0.1 . 1 . . . . . . . . 6373 1 118 . 1 1 28 28 GLU CA C 13 56.32 0.3 . 1 . . . . . . . . 6373 1 119 . 1 1 28 28 GLU C C 13 175.94 0.1 . 1 . . . . . . . . 6373 1 120 . 1 1 28 28 GLU CB C 13 31.94 0.3 . 1 . . . . . . . . 6373 1 121 . 1 1 29 29 GLY H H 1 7.29 0.02 . 1 . . . . . . . . 6373 1 122 . 1 1 29 29 GLY N N 15 106.60 0.1 . 1 . . . . . . . . 6373 1 123 . 1 1 29 29 GLY CA C 13 44.84 0.3 . 1 . . . . . . . . 6373 1 124 . 1 1 29 29 GLY C C 13 172.62 0.1 . 1 . . . . . . . . 6373 1 125 . 1 1 30 30 HIS H H 1 8.29 0.02 . 1 . . . . . . . . 6373 1 126 . 1 1 30 30 HIS N N 15 117.12 0.1 . 1 . . . . . . . . 6373 1 127 . 1 1 30 30 HIS CA C 13 56.47 0.3 . 1 . . . . . . . . 6373 1 128 . 1 1 30 30 HIS C C 13 173.90 0.1 . 1 . . . . . . . . 6373 1 129 . 1 1 30 30 HIS CB C 13 33.14 0.3 . 1 . . . . . . . . 6373 1 130 . 1 1 31 31 TYR H H 1 9.0 0.02 . 1 . . . . . . . . 6373 1 131 . 1 1 31 31 TYR N N 15 120.62 0.1 . 1 . . . . . . . . 6373 1 132 . 1 1 31 31 TYR CA C 13 56.85 0.3 . 1 . . . . . . . . 6373 1 133 . 1 1 31 31 TYR C C 13 175.85 0.1 . 1 . . . . . . . . 6373 1 134 . 1 1 31 31 TYR CB C 13 41.75 0.3 . 1 . . . . . . . . 6373 1 135 . 1 1 32 32 GLN H H 1 9.57 0.02 . 1 . . . . . . . . 6373 1 136 . 1 1 32 32 GLN N N 15 126.16 0.1 . 1 . . . . . . . . 6373 1 137 . 1 1 32 32 GLN CA C 13 56.67 0.3 . 1 . . . . . . . . 6373 1 138 . 1 1 32 32 GLN C C 13 173.08 0.1 . 1 . . . . . . . . 6373 1 139 . 1 1 32 32 GLN CB C 13 27.08 0.3 . 1 . . . . . . . . 6373 1 140 . 1 1 33 33 VAL H H 1 7.56 0.02 . 1 . . . . . . . . 6373 1 141 . 1 1 33 33 VAL N N 15 125.38 0.1 . 1 . . . . . . . . 6373 1 142 . 1 1 33 33 VAL CA C 13 60.56 0.3 . 1 . . . . . . . . 6373 1 143 . 1 1 33 33 VAL C C 13 173.94 0.1 . 1 . . . . . . . . 6373 1 144 . 1 1 33 33 VAL CB C 13 35.94 0.3 . 1 . . . . . . . . 6373 1 145 . 1 1 34 34 ASP H H 1 7.56 0.02 . 1 . . . . . . . . 6373 1 146 . 1 1 34 34 ASP N N 15 126.81 0.1 . 1 . . . . . . . . 6373 1 147 . 1 1 34 34 ASP CA C 13 52.23 0.3 . 1 . . . . . . . . 6373 1 148 . 1 1 34 34 ASP CB C 13 43.11 0.3 . 1 . . . . . . . . 6373 1 149 . 1 1 35 35 PRO CA C 13 65.63 0.3 . 1 . . . . . . . . 6373 1 150 . 1 1 35 35 PRO C C 13 178.78 0.1 . 1 . . . . . . . . 6373 1 151 . 1 1 35 35 PRO CB C 13 33.26 0.3 . 1 . . . . . . . . 6373 1 152 . 1 1 36 36 SER H H 1 8.61 0.02 . 1 . . . . . . . . 6373 1 153 . 1 1 36 36 SER N N 15 110.89 0.1 . 1 . . . . . . . . 6373 1 154 . 1 1 36 36 SER CA C 13 59.48 0.3 . 1 . . . . . . . . 6373 1 155 . 1 1 36 36 SER C C 13 174.86 0.1 . 1 . . . . . . . . 6373 1 156 . 1 1 36 36 SER CB C 13 63.46 0.3 . 1 . . . . . . . . 6373 1 157 . 1 1 37 37 LEU H H 1 7.72 0.02 . 1 . . . . . . . . 6373 1 158 . 1 1 37 37 LEU N N 15 122.25 0.1 . 1 . . . . . . . . 6373 1 159 . 1 1 37 37 LEU CA C 13 57.13 0.3 . 1 . . . . . . . . 6373 1 160 . 1 1 37 37 LEU C C 13 176.03 0.1 . 1 . . . . . . . . 6373 1 161 . 1 1 37 37 LEU CB C 13 42.52 0.3 . 1 . . . . . . . . 6373 1 162 . 1 1 38 38 PHE H H 1 6.99 0.02 . 1 . . . . . . . . 6373 1 163 . 1 1 38 38 PHE N N 15 116.7 0.1 . 1 . . . . . . . . 6373 1 164 . 1 1 38 38 PHE CA C 13 55.51 0.3 . 1 . . . . . . . . 6373 1 165 . 1 1 38 38 PHE C C 13 173.02 0.1 . 1 . . . . . . . . 6373 1 166 . 1 1 38 38 PHE CB C 13 41.46 0.3 . 1 . . . . . . . . 6373 1 167 . 1 1 39 39 LYS H H 1 9.01 0.02 . 1 . . . . . . . . 6373 1 168 . 1 1 39 39 LYS N N 15 121.64 0.1 . 1 . . . . . . . . 6373 1 169 . 1 1 39 39 LYS CA C 13 53.46 0.3 . 1 . . . . . . . . 6373 1 170 . 1 1 39 39 LYS CB C 13 35.67 0.3 . 1 . . . . . . . . 6373 1 171 . 1 1 40 40 PRO CA C 13 63.29 0.3 . 1 . . . . . . . . 6373 1 172 . 1 1 40 40 PRO CB C 13 33.35 0.3 . 1 . . . . . . . . 6373 1 173 . 1 1 41 41 ASN H H 1 7.74 0.02 . 1 . . . . . . . . 6373 1 174 . 1 1 41 41 ASN N N 15 111.68 0.1 . 1 . . . . . . . . 6373 1 175 . 1 1 41 41 ASN CA C 13 53.9 0.3 . 1 . . . . . . . . 6373 1 176 . 1 1 41 41 ASN C C 13 175.29 0.1 . 1 . . . . . . . . 6373 1 177 . 1 1 41 41 ASN CB C 13 40.12 0.3 . 1 . . . . . . . . 6373 1 178 . 1 1 42 42 ALA H H 1 7.82 0.02 . 1 . . . . . . . . 6373 1 179 . 1 1 42 42 ALA N N 15 121.01 0.1 . 1 . . . . . . . . 6373 1 180 . 1 1 42 42 ALA CA C 13 52.38 0.3 . 1 . . . . . . . . 6373 1 181 . 1 1 42 42 ALA C C 13 175.35 0.1 . 1 . . . . . . . . 6373 1 182 . 1 1 42 42 ALA CB C 13 21.75 0.3 . 1 . . . . . . . . 6373 1 183 . 1 1 43 43 ASP H H 1 9.21 0.02 . 1 . . . . . . . . 6373 1 184 . 1 1 43 43 ASP N N 15 118.78 0.1 . 1 . . . . . . . . 6373 1 185 . 1 1 43 43 ASP CA C 13 56.26 0.3 . 1 . . . . . . . . 6373 1 186 . 1 1 43 43 ASP C C 13 175.78 0.1 . 1 . . . . . . . . 6373 1 187 . 1 1 43 43 ASP CB C 13 45.27 0.3 . 1 . . . . . . . . 6373 1 188 . 1 1 44 44 PHE H H 1 7.76 0.02 . 1 . . . . . . . . 6373 1 189 . 1 1 44 44 PHE N N 15 112.0 0.1 . 1 . . . . . . . . 6373 1 190 . 1 1 44 44 PHE CA C 13 56.66 0.3 . 1 . . . . . . . . 6373 1 191 . 1 1 44 44 PHE C C 13 171.61 0.1 . 1 . . . . . . . . 6373 1 192 . 1 1 44 44 PHE CB C 13 40.12 0.3 . 1 . . . . . . . . 6373 1 193 . 1 1 45 45 LEU H H 1 9.1 0.02 . 1 . . . . . . . . 6373 1 194 . 1 1 45 45 LEU N N 15 117.72 0.1 . 1 . . . . . . . . 6373 1 195 . 1 1 45 45 LEU CA C 13 52.76 0.3 . 1 . . . . . . . . 6373 1 196 . 1 1 45 45 LEU C C 13 175.56 0.1 . 1 . . . . . . . . 6373 1 197 . 1 1 45 45 LEU CB C 13 46.66 0.3 . 1 . . . . . . . . 6373 1 198 . 1 1 46 46 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 6373 1 199 . 1 1 46 46 LEU N N 15 118.94 0.1 . 1 . . . . . . . . 6373 1 200 . 1 1 46 46 LEU CA C 13 52.66 0.3 . 1 . . . . . . . . 6373 1 201 . 1 1 46 46 LEU C C 13 175.06 0.1 . 1 . . . . . . . . 6373 1 202 . 1 1 46 46 LEU CB C 13 47.94 0.3 . 1 . . . . . . . . 6373 1 203 . 1 1 47 47 ARG H H 1 8.93 0.02 . 1 . . . . . . . . 6373 1 204 . 1 1 47 47 ARG N N 15 122.09 0.1 . 1 . . . . . . . . 6373 1 205 . 1 1 47 47 ARG CA C 13 54.92 0.3 . 1 . . . . . . . . 6373 1 206 . 1 1 47 47 ARG C C 13 175.63 0.1 . 1 . . . . . . . . 6373 1 207 . 1 1 47 47 ARG CB C 13 31.22 0.3 . 1 . . . . . . . . 6373 1 208 . 1 1 48 48 VAL H H 1 9.28 0.02 . 1 . . . . . . . . 6373 1 209 . 1 1 48 48 VAL N N 15 129.42 0.1 . 1 . . . . . . . . 6373 1 210 . 1 1 48 48 VAL CA C 13 63.78 0.3 . 1 . . . . . . . . 6373 1 211 . 1 1 48 48 VAL C C 13 176.94 0.1 . 1 . . . . . . . . 6373 1 212 . 1 1 48 48 VAL CB C 13 32.47 0.3 . 1 . . . . . . . . 6373 1 213 . 1 1 49 49 SER H H 1 8.92 0.02 . 1 . . . . . . . . 6373 1 214 . 1 1 49 49 SER N N 15 124.90 0.1 . 1 . . . . . . . . 6373 1 215 . 1 1 49 49 SER CA C 13 56.14 0.3 . 1 . . . . . . . . 6373 1 216 . 1 1 49 49 SER C C 13 174.72 0.1 . 1 . . . . . . . . 6373 1 217 . 1 1 49 49 SER CB C 13 64.43 0.3 . 1 . . . . . . . . 6373 1 218 . 1 1 50 50 GLY H H 1 10.08 0.02 . 1 . . . . . . . . 6373 1 219 . 1 1 50 50 GLY N N 15 119.56 0.1 . 1 . . . . . . . . 6373 1 220 . 1 1 50 50 GLY CA C 13 44.33 0.3 . 1 . . . . . . . . 6373 1 221 . 1 1 50 50 GLY C C 13 175.20 0.1 . 1 . . . . . . . . 6373 1 222 . 1 1 51 51 MET H H 1 7.94 0.02 . 1 . . . . . . . . 6373 1 223 . 1 1 51 51 MET N N 15 112.6 0.1 . 1 . . . . . . . . 6373 1 224 . 1 1 51 51 MET CA C 13 54.94 0.3 . 1 . . . . . . . . 6373 1 225 . 1 1 51 51 MET C C 13 179.86 0.1 . 1 . . . . . . . . 6373 1 226 . 1 1 51 51 MET CB C 13 33.42 0.3 . 1 . . . . . . . . 6373 1 227 . 1 1 52 52 SER H H 1 7.92 0.02 . 1 . . . . . . . . 6373 1 228 . 1 1 52 52 SER N N 15 119.61 0.1 . 1 . . . . . . . . 6373 1 229 . 1 1 52 52 SER CA C 13 62.81 0.3 . 1 . . . . . . . . 6373 1 230 . 1 1 52 52 SER C C 13 170.68 0.1 . 1 . . . . . . . . 6373 1 231 . 1 1 52 52 SER CB C 13 61.28 0.3 . 1 . . . . . . . . 6373 1 232 . 1 1 53 53 MET H H 1 8.27 0.02 . 1 . . . . . . . . 6373 1 233 . 1 1 53 53 MET N N 15 117.10 0.1 . 1 . . . . . . . . 6373 1 234 . 1 1 53 53 MET CA C 13 52.99 0.3 . 1 . . . . . . . . 6373 1 235 . 1 1 53 53 MET C C 13 176.15 0.1 . 1 . . . . . . . . 6373 1 236 . 1 1 53 53 MET CB C 13 31.32 0.3 . 1 . . . . . . . . 6373 1 237 . 1 1 54 54 LYS H H 1 9.45 0.02 . 1 . . . . . . . . 6373 1 238 . 1 1 54 54 LYS N N 15 121.01 0.1 . 1 . . . . . . . . 6373 1 239 . 1 1 54 54 LYS CA C 13 59.68 0.3 . 1 . . . . . . . . 6373 1 240 . 1 1 54 54 LYS C C 13 179.95 0.1 . 1 . . . . . . . . 6373 1 241 . 1 1 54 54 LYS CB C 13 33.41 0.3 . 1 . . . . . . . . 6373 1 242 . 1 1 55 55 ASP H H 1 7.33 0.02 . 1 . . . . . . . . 6373 1 243 . 1 1 55 55 ASP N N 15 119.87 0.1 . 1 . . . . . . . . 6373 1 244 . 1 1 55 55 ASP CA C 13 57.59 0.3 . 1 . . . . . . . . 6373 1 245 . 1 1 55 55 ASP C C 13 178.34 0.1 . 1 . . . . . . . . 6373 1 246 . 1 1 55 55 ASP CB C 13 39.53 0.3 . 1 . . . . . . . . 6373 1 247 . 1 1 56 56 ILE H H 1 7.35 0.02 . 1 . . . . . . . . 6373 1 248 . 1 1 56 56 ILE N N 15 108.47 0.1 . 1 . . . . . . . . 6373 1 249 . 1 1 56 56 ILE CA C 13 60.98 0.3 . 1 . . . . . . . . 6373 1 250 . 1 1 56 56 ILE C C 13 176.14 0.1 . 1 . . . . . . . . 6373 1 251 . 1 1 56 56 ILE CB C 13 37.99 0.3 . 1 . . . . . . . . 6373 1 252 . 1 1 57 57 GLY H H 1 8.27 0.02 . 1 . . . . . . . . 6373 1 253 . 1 1 57 57 GLY N N 15 108.90 0.1 . 1 . . . . . . . . 6373 1 254 . 1 1 57 57 GLY CA C 13 47.67 0.3 . 1 . . . . . . . . 6373 1 255 . 1 1 57 57 GLY C C 13 174.87 0.1 . 1 . . . . . . . . 6373 1 256 . 1 1 58 58 ILE H H 1 6.89 0.02 . 1 . . . . . . . . 6373 1 257 . 1 1 58 58 ILE N N 15 122.27 0.1 . 1 . . . . . . . . 6373 1 258 . 1 1 58 58 ILE CA C 13 61.32 0.3 . 1 . . . . . . . . 6373 1 259 . 1 1 58 58 ILE C C 13 173.92 0.1 . 1 . . . . . . . . 6373 1 260 . 1 1 58 58 ILE CB C 13 37.09 0.3 . 1 . . . . . . . . 6373 1 261 . 1 1 59 59 MET H H 1 9.21 0.02 . 1 . . . . . . . . 6373 1 262 . 1 1 59 59 MET N N 15 127.01 0.1 . 1 . . . . . . . . 6373 1 263 . 1 1 59 59 MET CA C 13 52.00 0.3 . 1 . . . . . . . . 6373 1 264 . 1 1 59 59 MET C C 13 175.4 0.1 . 1 . . . . . . . . 6373 1 265 . 1 1 59 59 MET CB C 13 34.57 0.3 . 1 . . . . . . . . 6373 1 266 . 1 1 60 60 ASP H H 1 6.99 0.02 . 1 . . . . . . . . 6373 1 267 . 1 1 60 60 ASP N N 15 120.12 0.1 . 1 . . . . . . . . 6373 1 268 . 1 1 60 60 ASP CA C 13 57.53 0.3 . 1 . . . . . . . . 6373 1 269 . 1 1 60 60 ASP C C 13 176.96 0.1 . 1 . . . . . . . . 6373 1 270 . 1 1 60 60 ASP CB C 13 43.50 0.3 . 1 . . . . . . . . 6373 1 271 . 1 1 61 61 GLY H H 1 9.05 0.02 . 1 . . . . . . . . 6373 1 272 . 1 1 61 61 GLY N N 15 116.7 0.1 . 1 . . . . . . . . 6373 1 273 . 1 1 61 61 GLY CA C 13 45.45 0.3 . 1 . . . . . . . . 6373 1 274 . 1 1 61 61 GLY C C 13 174.57 0.1 . 1 . . . . . . . . 6373 1 275 . 1 1 62 62 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 6373 1 276 . 1 1 62 62 ASP N N 15 123.09 0.1 . 1 . . . . . . . . 6373 1 277 . 1 1 62 62 ASP CA C 13 55.86 0.3 . 1 . . . . . . . . 6373 1 278 . 1 1 62 62 ASP C C 13 174.91 0.1 . 1 . . . . . . . . 6373 1 279 . 1 1 62 62 ASP CB C 13 41.14 0.3 . 1 . . . . . . . . 6373 1 280 . 1 1 63 63 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 6373 1 281 . 1 1 63 63 LEU N N 15 117.52 0.1 . 1 . . . . . . . . 6373 1 282 . 1 1 63 63 LEU CA C 13 53.55 0.3 . 1 . . . . . . . . 6373 1 283 . 1 1 63 63 LEU C C 13 174.75 0.1 . 1 . . . . . . . . 6373 1 284 . 1 1 63 63 LEU CB C 13 42.02 0.3 . 1 . . . . . . . . 6373 1 285 . 1 1 64 64 LEU H H 1 9.55 0.02 . 1 . . . . . . . . 6373 1 286 . 1 1 64 64 LEU N N 15 125.74 0.1 . 1 . . . . . . . . 6373 1 287 . 1 1 64 64 LEU CA C 13 53.01 0.3 . 1 . . . . . . . . 6373 1 288 . 1 1 64 64 LEU C C 13 174.93 0.1 . 1 . . . . . . . . 6373 1 289 . 1 1 64 64 LEU CB C 13 46.35 0.3 . 1 . . . . . . . . 6373 1 290 . 1 1 65 65 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 6373 1 291 . 1 1 65 65 ALA N N 15 129.22 0.1 . 1 . . . . . . . . 6373 1 292 . 1 1 65 65 ALA CA C 13 50.9 0.3 . 1 . . . . . . . . 6373 1 293 . 1 1 65 65 ALA C C 13 176.38 0.1 . 1 . . . . . . . . 6373 1 294 . 1 1 65 65 ALA CB C 13 18.13 0.3 . 1 . . . . . . . . 6373 1 295 . 1 1 66 66 VAL H H 1 8.37 0.02 . 1 . . . . . . . . 6373 1 296 . 1 1 66 66 VAL N N 15 123.47 0.1 . 1 . . . . . . . . 6373 1 297 . 1 1 66 66 VAL CA C 13 60.84 0.3 . 1 . . . . . . . . 6373 1 298 . 1 1 66 66 VAL C C 13 174.75 0.1 . 1 . . . . . . . . 6373 1 299 . 1 1 66 66 VAL CB C 13 33.97 0.3 . 1 . . . . . . . . 6373 1 300 . 1 1 67 67 HIS H H 1 9.29 0.02 . 1 . . . . . . . . 6373 1 301 . 1 1 67 67 HIS N N 15 128.59 0.1 . 1 . . . . . . . . 6373 1 302 . 1 1 67 67 HIS CA C 13 54.40 0.3 . 1 . . . . . . . . 6373 1 303 . 1 1 67 67 HIS C C 13 174.01 0.1 . 1 . . . . . . . . 6373 1 304 . 1 1 67 67 HIS CB C 13 31.58 0.3 . 1 . . . . . . . . 6373 1 305 . 1 1 68 68 LYS H H 1 10.39 0.02 . 1 . . . . . . . . 6373 1 306 . 1 1 68 68 LYS N N 15 132.8 0.1 . 1 . . . . . . . . 6373 1 307 . 1 1 68 68 LYS CA C 13 58.00 0.3 . 1 . . . . . . . . 6373 1 308 . 1 1 68 68 LYS C C 13 174.09 0.1 . 1 . . . . . . . . 6373 1 309 . 1 1 68 68 LYS CB C 13 32.51 0.3 . 1 . . . . . . . . 6373 1 310 . 1 1 69 69 THR H H 1 7.16 0.02 . 1 . . . . . . . . 6373 1 311 . 1 1 69 69 THR N N 15 121.99 0.1 . 1 . . . . . . . . 6373 1 312 . 1 1 69 69 THR CA C 13 60.81 0.3 . 1 . . . . . . . . 6373 1 313 . 1 1 69 69 THR C C 13 170.51 0.1 . 1 . . . . . . . . 6373 1 314 . 1 1 69 69 THR CB C 13 67.31 0.3 . 1 . . . . . . . . 6373 1 315 . 1 1 70 70 GLN H H 1 8.24 0.02 . 1 . . . . . . . . 6373 1 316 . 1 1 70 70 GLN N N 15 119.12 0.1 . 1 . . . . . . . . 6373 1 317 . 1 1 70 70 GLN CA C 13 55.48 0.3 . 1 . . . . . . . . 6373 1 318 . 1 1 70 70 GLN C C 13 175.87 0.1 . 1 . . . . . . . . 6373 1 319 . 1 1 70 70 GLN CB C 13 30.55 0.3 . 1 . . . . . . . . 6373 1 320 . 1 1 71 71 ASP H H 1 8.90 0.02 . 1 . . . . . . . . 6373 1 321 . 1 1 71 71 ASP N N 15 125.94 0.1 . 1 . . . . . . . . 6373 1 322 . 1 1 71 71 ASP CA C 13 54.11 0.3 . 1 . . . . . . . . 6373 1 323 . 1 1 71 71 ASP C C 13 174.12 0.1 . 1 . . . . . . . . 6373 1 324 . 1 1 71 71 ASP CB C 13 40.25 0.3 . 1 . . . . . . . . 6373 1 325 . 1 1 72 72 VAL H H 1 7.41 0.02 . 1 . . . . . . . . 6373 1 326 . 1 1 72 72 VAL N N 15 114.4 0.1 . 1 . . . . . . . . 6373 1 327 . 1 1 72 72 VAL CA C 13 59.31 0.3 . 1 . . . . . . . . 6373 1 328 . 1 1 72 72 VAL C C 13 174.97 0.1 . 1 . . . . . . . . 6373 1 329 . 1 1 72 72 VAL CB C 13 35.20 0.3 . 1 . . . . . . . . 6373 1 330 . 1 1 73 73 ARG H H 1 8.77 0.02 . 1 . . . . . . . . 6373 1 331 . 1 1 73 73 ARG N N 15 121.0 0.1 . 1 . . . . . . . . 6373 1 332 . 1 1 73 73 ARG CA C 13 53.79 0.3 . 1 . . . . . . . . 6373 1 333 . 1 1 73 73 ARG C C 13 175.11 0.1 . 1 . . . . . . . . 6373 1 334 . 1 1 73 73 ARG CB C 13 33.67 0.3 . 1 . . . . . . . . 6373 1 335 . 1 1 74 74 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 6373 1 336 . 1 1 74 74 ASN N N 15 118.48 0.1 . 1 . . . . . . . . 6373 1 337 . 1 1 74 74 ASN CA C 13 54.14 0.3 . 1 . . . . . . . . 6373 1 338 . 1 1 74 74 ASN C C 13 177.02 0.1 . 1 . . . . . . . . 6373 1 339 . 1 1 74 74 ASN CB C 13 38.00 0.3 . 1 . . . . . . . . 6373 1 340 . 1 1 75 75 GLY H H 1 9.38 0.02 . 1 . . . . . . . . 6373 1 341 . 1 1 75 75 GLY N N 15 110.75 0.1 . 1 . . . . . . . . 6373 1 342 . 1 1 75 75 GLY CA C 13 45.5 0.3 . 1 . . . . . . . . 6373 1 343 . 1 1 75 75 GLY C C 13 174.63 0.1 . 1 . . . . . . . . 6373 1 344 . 1 1 76 76 GLN H H 1 7.79 0.02 . 1 . . . . . . . . 6373 1 345 . 1 1 76 76 GLN N N 15 119.16 0.1 . 1 . . . . . . . . 6373 1 346 . 1 1 76 76 GLN CA C 13 56.41 0.3 . 1 . . . . . . . . 6373 1 347 . 1 1 76 76 GLN C C 13 175.06 0.1 . 1 . . . . . . . . 6373 1 348 . 1 1 76 76 GLN CB C 13 29.46 0.3 . 1 . . . . . . . . 6373 1 349 . 1 1 77 77 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 6373 1 350 . 1 1 77 77 VAL N N 15 122.19 0.1 . 1 . . . . . . . . 6373 1 351 . 1 1 77 77 VAL CA C 13 57.38 0.3 . 1 . . . . . . . . 6373 1 352 . 1 1 77 77 VAL C C 13 174.52 0.1 . 1 . . . . . . . . 6373 1 353 . 1 1 77 77 VAL CB C 13 30.03 0.3 . 1 . . . . . . . . 6373 1 354 . 1 1 78 78 VAL H H 1 8.92 0.02 . 1 . . . . . . . . 6373 1 355 . 1 1 78 78 VAL N N 15 120.14 0.1 . 1 . . . . . . . . 6373 1 356 . 1 1 78 78 VAL CA C 13 58.48 0.3 . 1 . . . . . . . . 6373 1 357 . 1 1 78 78 VAL C C 13 173.44 0.1 . 1 . . . . . . . . 6373 1 358 . 1 1 78 78 VAL CB C 13 35.94 0.3 . 1 . . . . . . . . 6373 1 359 . 1 1 79 79 VAL H H 1 8.21 0.02 . 1 . . . . . . . . 6373 1 360 . 1 1 79 79 VAL N N 15 118.2 0.1 . 1 . . . . . . . . 6373 1 361 . 1 1 79 79 VAL CA C 13 61.26 0.3 . 1 . . . . . . . . 6373 1 362 . 1 1 79 79 VAL C C 13 174.74 0.1 . 1 . . . . . . . . 6373 1 363 . 1 1 79 79 VAL CB C 13 32.36 0.3 . 1 . . . . . . . . 6373 1 364 . 1 1 80 80 ALA H H 1 9.12 0.02 . 1 . . . . . . . . 6373 1 365 . 1 1 80 80 ALA N N 15 130.64 0.1 . 1 . . . . . . . . 6373 1 366 . 1 1 80 80 ALA CA C 13 50.30 0.3 . 1 . . . . . . . . 6373 1 367 . 1 1 80 80 ALA C C 13 173.5 0.1 . 1 . . . . . . . . 6373 1 368 . 1 1 80 80 ALA CB C 13 24.38 0.3 . 1 . . . . . . . . 6373 1 369 . 1 1 81 81 ARG H H 1 8.97 0.02 . 1 . . . . . . . . 6373 1 370 . 1 1 81 81 ARG N N 15 121.84 0.1 . 1 . . . . . . . . 6373 1 371 . 1 1 81 81 ARG CA C 13 54.01 0.3 . 1 . . . . . . . . 6373 1 372 . 1 1 81 81 ARG C C 13 174.62 0.1 . 1 . . . . . . . . 6373 1 373 . 1 1 81 81 ARG CB C 13 33.58 0.3 . 1 . . . . . . . . 6373 1 374 . 1 1 82 82 ILE H H 1 9.19 0.02 . 1 . . . . . . . . 6373 1 375 . 1 1 82 82 ILE N N 15 127.78 0.1 . 1 . . . . . . . . 6373 1 376 . 1 1 82 82 ILE CA C 13 60.80 0.3 . 1 . . . . . . . . 6373 1 377 . 1 1 82 82 ILE C C 13 177.24 0.3 . 1 . . . . . . . . 6373 1 378 . 1 1 82 82 ILE CB C 13 40.17 0.3 . 1 . . . . . . . . 6373 1 379 . 1 1 83 83 HIS H H 1 8.90 0.02 . 1 . . . . . . . . 6373 1 380 . 1 1 83 83 HIS N N 15 126.12 0.1 . 1 . . . . . . . . 6373 1 381 . 1 1 83 83 HIS CA C 13 59.36 0.3 . 1 . . . . . . . . 6373 1 382 . 1 1 83 83 HIS C C 13 173.34 0.1 . 1 . . . . . . . . 6373 1 383 . 1 1 83 83 HIS CB C 13 28.9 0.3 . 1 . . . . . . . . 6373 1 384 . 1 1 84 84 ASP H H 1 8.48 0.02 . 1 . . . . . . . . 6373 1 385 . 1 1 84 84 ASP N N 15 121.15 0.1 . 1 . . . . . . . . 6373 1 386 . 1 1 84 84 ASP CA C 13 57.68 0.3 . 1 . . . . . . . . 6373 1 387 . 1 1 84 84 ASP C C 13 174.70 0.1 . 1 . . . . . . . . 6373 1 388 . 1 1 84 84 ASP CB C 13 39.7 0.3 . 1 . . . . . . . . 6373 1 389 . 1 1 85 85 ALA H H 1 7.97 0.02 . 1 . . . . . . . . 6373 1 390 . 1 1 85 85 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 6373 1 391 . 1 1 85 85 ALA CA C 13 51.75 0.3 . 1 . . . . . . . . 6373 1 392 . 1 1 85 85 ALA C C 13 175.75 0.1 . 1 . . . . . . . . 6373 1 393 . 1 1 85 85 ALA CB C 13 22.18 0.3 . 1 . . . . . . . . 6373 1 394 . 1 1 86 86 VAL H H 1 8.64 0.02 . 1 . . . . . . . . 6373 1 395 . 1 1 86 86 VAL N N 15 114.88 0.1 . 1 . . . . . . . . 6373 1 396 . 1 1 86 86 VAL CA C 13 59.44 0.3 . 1 . . . . . . . . 6373 1 397 . 1 1 86 86 VAL C C 13 175.86 0.1 . 1 . . . . . . . . 6373 1 398 . 1 1 86 86 VAL CB C 13 35.96 0.3 . 1 . . . . . . . . 6373 1 399 . 1 1 87 87 THR H H 1 8.84 0.02 . 1 . . . . . . . . 6373 1 400 . 1 1 87 87 THR N N 15 119.61 0.1 . 1 . . . . . . . . 6373 1 401 . 1 1 87 87 THR CA C 13 59.59 0.3 . 1 . . . . . . . . 6373 1 402 . 1 1 87 87 THR C C 13 170.25 0.1 . 1 . . . . . . . . 6373 1 403 . 1 1 87 87 THR CB C 13 71.81 0.3 . 1 . . . . . . . . 6373 1 404 . 1 1 88 88 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 6373 1 405 . 1 1 88 88 VAL N N 15 124.90 0.1 . 1 . . . . . . . . 6373 1 406 . 1 1 88 88 VAL CA C 13 57.57 0.3 . 1 . . . . . . . . 6373 1 407 . 1 1 88 88 VAL C C 13 171.99 0.1 . 1 . . . . . . . . 6373 1 408 . 1 1 88 88 VAL CB C 13 33.89 0.3 . 1 . . . . . . . . 6373 1 409 . 1 1 89 89 ALA H H 1 8.50 0.02 . 1 . . . . . . . . 6373 1 410 . 1 1 89 89 ALA N N 15 125.95 0.1 . 1 . . . . . . . . 6373 1 411 . 1 1 89 89 ALA CA C 13 51.28 0.3 . 1 . . . . . . . . 6373 1 412 . 1 1 89 89 ALA C C 13 175.16 0.1 . 1 . . . . . . . . 6373 1 413 . 1 1 89 89 ALA CB C 13 24.21 0.3 . 1 . . . . . . . . 6373 1 414 . 1 1 90 90 ARG H H 1 9.24 0.02 . 1 . . . . . . . . 6373 1 415 . 1 1 90 90 ARG N N 15 119.79 0.1 . 1 . . . . . . . . 6373 1 416 . 1 1 90 90 ARG CA C 13 56.30 0.3 . 1 . . . . . . . . 6373 1 417 . 1 1 90 90 ARG C C 13 176.21 0.1 . 1 . . . . . . . . 6373 1 418 . 1 1 90 90 ARG CB C 13 31.71 0.3 . 1 . . . . . . . . 6373 1 419 . 1 1 91 91 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 6373 1 420 . 1 1 91 91 LEU N N 15 126.63 0.1 . 1 . . . . . . . . 6373 1 421 . 1 1 91 91 LEU CA C 13 56.06 0.3 . 1 . . . . . . . . 6373 1 422 . 1 1 91 91 LEU C C 13 177.09 0.1 . 1 . . . . . . . . 6373 1 423 . 1 1 91 91 LEU CB C 13 44.64 0.3 . 1 . . . . . . . . 6373 1 424 . 1 1 92 92 LYS H H 1 8.82 0.02 . 1 . . . . . . . . 6373 1 425 . 1 1 92 92 LYS N N 15 128.66 0.1 . 1 . . . . . . . . 6373 1 426 . 1 1 92 92 LYS CA C 13 56.82 0.3 . 1 . . . . . . . . 6373 1 427 . 1 1 92 92 LYS C C 13 173.86 0.1 . 1 . . . . . . . . 6373 1 428 . 1 1 92 92 LYS CB C 13 34.91 0.3 . 1 . . . . . . . . 6373 1 429 . 1 1 93 93 LYS H H 1 9.40 0.02 . 1 . . . . . . . . 6373 1 430 . 1 1 93 93 LYS N N 15 129.43 0.1 . 1 . . . . . . . . 6373 1 431 . 1 1 93 93 LYS CA C 13 56.21 0.3 . 1 . . . . . . . . 6373 1 432 . 1 1 93 93 LYS C C 13 175.83 0.1 . 1 . . . . . . . . 6373 1 433 . 1 1 93 93 LYS CB C 13 35.09 0.3 . 1 . . . . . . . . 6373 1 434 . 1 1 94 94 GLN H H 1 8.79 0.02 . 1 . . . . . . . . 6373 1 435 . 1 1 94 94 GLN N N 15 127.31 0.1 . 1 . . . . . . . . 6373 1 436 . 1 1 94 94 GLN CA C 13 55.84 0.3 . 1 . . . . . . . . 6373 1 437 . 1 1 94 94 GLN CB C 13 31.13 0.3 . 1 . . . . . . . . 6373 1 438 . 1 1 96 96 ASN CA C 13 54.05 0.3 . 1 . . . . . . . . 6373 1 439 . 1 1 96 96 ASN C C 13 173.15 0.1 . 1 . . . . . . . . 6373 1 440 . 1 1 96 96 ASN CB C 13 39.56 0.3 . 1 . . . . . . . . 6373 1 441 . 1 1 97 97 LYS H H 1 7.85 0.02 . 1 . . . . . . . . 6373 1 442 . 1 1 97 97 LYS N N 15 119.8 0.1 . 1 . . . . . . . . 6373 1 443 . 1 1 97 97 LYS CA C 13 55.25 0.3 . 1 . . . . . . . . 6373 1 444 . 1 1 97 97 LYS C C 13 174.8 0.1 . 1 . . . . . . . . 6373 1 445 . 1 1 97 97 LYS CB C 13 35.04 0.3 . 1 . . . . . . . . 6373 1 446 . 1 1 98 98 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 6373 1 447 . 1 1 98 98 VAL N N 15 124.47 0.1 . 1 . . . . . . . . 6373 1 448 . 1 1 98 98 VAL CA C 13 61.38 0.3 . 1 . . . . . . . . 6373 1 449 . 1 1 98 98 VAL C C 13 173.84 0.1 . 1 . . . . . . . . 6373 1 450 . 1 1 98 98 VAL CB C 13 34.80 0.3 . 1 . . . . . . . . 6373 1 451 . 1 1 99 99 GLU H H 1 8.78 0.02 . 1 . . . . . . . . 6373 1 452 . 1 1 99 99 GLU N N 15 125.55 0.1 . 1 . . . . . . . . 6373 1 453 . 1 1 99 99 GLU CA C 13 54.94 0.3 . 1 . . . . . . . . 6373 1 454 . 1 1 99 99 GLU C C 13 174.35 0.1 . 1 . . . . . . . . 6373 1 455 . 1 1 99 99 GLU CB C 13 33.25 0.3 . 1 . . . . . . . . 6373 1 456 . 1 1 100 100 LEU H H 1 9.04 0.02 . 1 . . . . . . . . 6373 1 457 . 1 1 100 100 LEU N N 15 124.29 0.1 . 1 . . . . . . . . 6373 1 458 . 1 1 100 100 LEU CA C 13 52.73 0.3 . 1 . . . . . . . . 6373 1 459 . 1 1 100 100 LEU C C 13 176.49 0.1 . 1 . . . . . . . . 6373 1 460 . 1 1 100 100 LEU CB C 13 41.3 0.3 . 1 . . . . . . . . 6373 1 461 . 1 1 101 101 LEU H H 1 9.65 0.02 . 1 . . . . . . . . 6373 1 462 . 1 1 101 101 LEU N N 15 127.38 0.1 . 1 . . . . . . . . 6373 1 463 . 1 1 101 101 LEU CA C 13 52.98 0.3 . 1 . . . . . . . . 6373 1 464 . 1 1 101 101 LEU CB C 13 42.66 0.3 . 1 . . . . . . . . 6373 1 465 . 1 1 102 102 PRO CA C 13 61.8 0.3 . 1 . . . . . . . . 6373 1 466 . 1 1 102 102 PRO C C 13 175.79 0.1 . 1 . . . . . . . . 6373 1 467 . 1 1 102 102 PRO CB C 13 32.7 0.3 . 1 . . . . . . . . 6373 1 468 . 1 1 103 103 GLU H H 1 8.6 0.02 . 1 . . . . . . . . 6373 1 469 . 1 1 103 103 GLU N N 15 123.88 0.1 . 1 . . . . . . . . 6373 1 470 . 1 1 103 103 GLU CA C 13 54.87 0.3 . 1 . . . . . . . . 6373 1 471 . 1 1 103 103 GLU C C 13 173.52 0.1 . 1 . . . . . . . . 6373 1 472 . 1 1 103 103 GLU CB C 13 29.71 0.3 . 1 . . . . . . . . 6373 1 473 . 1 1 104 104 ASN H H 1 6.92 0.02 . 1 . . . . . . . . 6373 1 474 . 1 1 104 104 ASN N N 15 115.51 0.1 . 1 . . . . . . . . 6373 1 475 . 1 1 104 104 ASN CA C 13 54.72 0.3 . 1 . . . . . . . . 6373 1 476 . 1 1 104 104 ASN C C 13 176.88 0.1 . 1 . . . . . . . . 6373 1 477 . 1 1 104 104 ASN CB C 13 39.01 0.3 . 1 . . . . . . . . 6373 1 478 . 1 1 105 105 SER H H 1 9.38 0.02 . 1 . . . . . . . . 6373 1 479 . 1 1 105 105 SER N N 15 123.47 0.1 . 1 . . . . . . . . 6373 1 480 . 1 1 105 105 SER CA C 13 61.45 0.3 . 1 . . . . . . . . 6373 1 481 . 1 1 105 105 SER C C 13 175.26 0.1 . 1 . . . . . . . . 6373 1 482 . 1 1 105 105 SER CB C 13 63.28 0.3 . 1 . . . . . . . . 6373 1 483 . 1 1 106 106 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 6373 1 484 . 1 1 106 106 GLU N N 15 119.77 0.1 . 1 . . . . . . . . 6373 1 485 . 1 1 106 106 GLU CA C 13 57.22 0.3 . 1 . . . . . . . . 6373 1 486 . 1 1 106 106 GLU C C 13 174.24 0.1 . 1 . . . . . . . . 6373 1 487 . 1 1 106 106 GLU CB C 13 30.1 0.3 . 1 . . . . . . . . 6373 1 488 . 1 1 107 107 PHE H H 1 8.20 0.02 . 1 . . . . . . . . 6373 1 489 . 1 1 107 107 PHE N N 15 120.17 0.1 . 1 . . . . . . . . 6373 1 490 . 1 1 107 107 PHE CA C 13 57.37 0.3 . 1 . . . . . . . . 6373 1 491 . 1 1 107 107 PHE C C 13 174.12 0.1 . 1 . . . . . . . . 6373 1 492 . 1 1 107 107 PHE CB C 13 41.4 0.3 . 1 . . . . . . . . 6373 1 493 . 1 1 108 108 LYS H H 1 8.63 0.02 . 1 . . . . . . . . 6373 1 494 . 1 1 108 108 LYS N N 15 120.19 0.1 . 1 . . . . . . . . 6373 1 495 . 1 1 108 108 LYS CA C 13 53.27 0.3 . 1 . . . . . . . . 6373 1 496 . 1 1 108 108 LYS CB C 13 33.23 0.3 . 1 . . . . . . . . 6373 1 497 . 1 1 109 109 PRO CA C 13 63.39 0.3 . 1 . . . . . . . . 6373 1 498 . 1 1 109 109 PRO C C 13 176.25 0.1 . 1 . . . . . . . . 6373 1 499 . 1 1 109 109 PRO CB C 13 33.07 0.3 . 1 . . . . . . . . 6373 1 500 . 1 1 110 110 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 6373 1 501 . 1 1 110 110 ILE N N 15 123.90 0.1 . 1 . . . . . . . . 6373 1 502 . 1 1 110 110 ILE CA C 13 61.22 0.3 . 1 . . . . . . . . 6373 1 503 . 1 1 110 110 ILE C C 13 174.87 0.1 . 1 . . . . . . . . 6373 1 504 . 1 1 110 110 ILE CB C 13 40.44 0.3 . 1 . . . . . . . . 6373 1 505 . 1 1 111 111 VAL H H 1 8.54 0.02 . 1 . . . . . . . . 6373 1 506 . 1 1 111 111 VAL N N 15 127.36 0.1 . 1 . . . . . . . . 6373 1 507 . 1 1 111 111 VAL CA C 13 61.55 0.3 . 1 . . . . . . . . 6373 1 508 . 1 1 111 111 VAL C C 13 175.54 0.1 . 1 . . . . . . . . 6373 1 509 . 1 1 111 111 VAL CB C 13 33.29 0.3 . 1 . . . . . . . . 6373 1 510 . 1 1 112 112 VAL H H 1 9.29 0.02 . 1 . . . . . . . . 6373 1 511 . 1 1 112 112 VAL N N 15 128.84 0.1 . 1 . . . . . . . . 6373 1 512 . 1 1 112 112 VAL CA C 13 60.94 0.3 . 1 . . . . . . . . 6373 1 513 . 1 1 112 112 VAL C C 13 174.05 0.1 . 1 . . . . . . . . 6373 1 514 . 1 1 112 112 VAL CB C 13 34.89 0.3 . 1 . . . . . . . . 6373 1 515 . 1 1 113 113 ASP H H 1 8.64 0.02 . 1 . . . . . . . . 6373 1 516 . 1 1 113 113 ASP N N 15 126.12 0.1 . 1 . . . . . . . . 6373 1 517 . 1 1 113 113 ASP CA C 13 59.27 0.3 . 1 . . . . . . . . 6373 1 518 . 1 1 113 113 ASP C C 13 177.58 0.1 . 1 . . . . . . . . 6373 1 519 . 1 1 113 113 ASP CB C 13 40.37 0.3 . 1 . . . . . . . . 6373 1 520 . 1 1 114 114 LEU H H 1 8.93 0.02 . 1 . . . . . . . . 6373 1 521 . 1 1 114 114 LEU N N 15 126.13 0.1 . 1 . . . . . . . . 6373 1 522 . 1 1 114 114 LEU CA C 13 57.04 0.3 . 1 . . . . . . . . 6373 1 523 . 1 1 114 114 LEU C C 13 178.63 0.1 . 1 . . . . . . . . 6373 1 524 . 1 1 114 114 LEU CB C 13 41.86 0.3 . 1 . . . . . . . . 6373 1 525 . 1 1 115 115 ARG H H 1 8.7 0.02 . 1 . . . . . . . . 6373 1 526 . 1 1 115 115 ARG N N 15 116.45 0.1 . 1 . . . . . . . . 6373 1 527 . 1 1 115 115 ARG CA C 13 57.66 0.3 . 1 . . . . . . . . 6373 1 528 . 1 1 115 115 ARG C C 13 177.55 0.1 . 1 . . . . . . . . 6373 1 529 . 1 1 115 115 ARG CB C 13 30.54 0.3 . 1 . . . . . . . . 6373 1 530 . 1 1 116 116 GLN H H 1 7.59 0.02 . 1 . . . . . . . . 6373 1 531 . 1 1 116 116 GLN N N 15 114.37 0.1 . 1 . . . . . . . . 6373 1 532 . 1 1 116 116 GLN CA C 13 56.17 0.3 . 1 . . . . . . . . 6373 1 533 . 1 1 116 116 GLN C C 13 175.40 0.1 . 1 . . . . . . . . 6373 1 534 . 1 1 116 116 GLN CB C 13 32.11 0.3 . 1 . . . . . . . . 6373 1 535 . 1 1 117 117 GLN H H 1 7.95 0.02 . 1 . . . . . . . . 6373 1 536 . 1 1 117 117 GLN N N 15 117.65 0.1 . 1 . . . . . . . . 6373 1 537 . 1 1 117 117 GLN CA C 13 55.29 0.3 . 1 . . . . . . . . 6373 1 538 . 1 1 117 117 GLN C C 13 174.48 0.1 . 1 . . . . . . . . 6373 1 539 . 1 1 117 117 GLN CB C 13 32.49 0.3 . 1 . . . . . . . . 6373 1 540 . 1 1 118 118 SER H H 1 8.1 0.02 . 1 . . . . . . . . 6373 1 541 . 1 1 118 118 SER N N 15 116.36 0.1 . 1 . . . . . . . . 6373 1 542 . 1 1 118 118 SER CA C 13 58.3 0.3 . 1 . . . . . . . . 6373 1 543 . 1 1 118 118 SER C C 13 173.11 0.1 . 1 . . . . . . . . 6373 1 544 . 1 1 118 118 SER CB C 13 63.84 0.3 . 1 . . . . . . . . 6373 1 545 . 1 1 119 119 PHE H H 1 8.23 0.02 . 1 . . . . . . . . 6373 1 546 . 1 1 119 119 PHE N N 15 126.6 0.1 . 1 . . . . . . . . 6373 1 547 . 1 1 119 119 PHE CA C 13 57.62 0.3 . 1 . . . . . . . . 6373 1 548 . 1 1 119 119 PHE C C 13 174.15 0.1 . 1 . . . . . . . . 6373 1 549 . 1 1 119 119 PHE CB C 13 43.56 0.3 . 1 . . . . . . . . 6373 1 550 . 1 1 120 120 THR H H 1 8.37 0.02 . 1 . . . . . . . . 6373 1 551 . 1 1 120 120 THR N N 15 122.47 0.1 . 1 . . . . . . . . 6373 1 552 . 1 1 120 120 THR CA C 13 61.07 0.3 . 1 . . . . . . . . 6373 1 553 . 1 1 120 120 THR C C 13 172.23 0.1 . 1 . . . . . . . . 6373 1 554 . 1 1 120 120 THR CB C 13 72.13 0.3 . 1 . . . . . . . . 6373 1 555 . 1 1 121 121 ILE H H 1 8.69 0.02 . 1 . . . . . . . . 6373 1 556 . 1 1 121 121 ILE N N 15 125.95 0.1 . 1 . . . . . . . . 6373 1 557 . 1 1 121 121 ILE CA C 13 59.52 0.3 . 1 . . . . . . . . 6373 1 558 . 1 1 121 121 ILE C C 13 175.59 0.1 . 1 . . . . . . . . 6373 1 559 . 1 1 121 121 ILE CB C 13 37.24 0.3 . 1 . . . . . . . . 6373 1 560 . 1 1 122 122 GLU H H 1 8.85 0.02 . 1 . . . . . . . . 6373 1 561 . 1 1 122 122 GLU N N 15 125.52 0.1 . 1 . . . . . . . . 6373 1 562 . 1 1 122 122 GLU CA C 13 56.06 0.3 . 1 . . . . . . . . 6373 1 563 . 1 1 122 122 GLU C C 13 177.91 0.1 . 1 . . . . . . . . 6373 1 564 . 1 1 122 122 GLU CB C 13 30.32 0.3 . 1 . . . . . . . . 6373 1 565 . 1 1 123 123 GLY H H 1 7.46 0.02 . 1 . . . . . . . . 6373 1 566 . 1 1 123 123 GLY N N 15 102.98 0.1 . 1 . . . . . . . . 6373 1 567 . 1 1 123 123 GLY CA C 13 45.89 0.3 . 1 . . . . . . . . 6373 1 568 . 1 1 123 123 GLY C C 13 169.66 0.1 . 1 . . . . . . . . 6373 1 569 . 1 1 124 124 LEU H H 1 8.75 0.02 . 1 . . . . . . . . 6373 1 570 . 1 1 124 124 LEU N N 15 121.02 0.1 . 1 . . . . . . . . 6373 1 571 . 1 1 124 124 LEU CA C 13 53.00 0.3 . 1 . . . . . . . . 6373 1 572 . 1 1 124 124 LEU C C 13 175.76 0.1 . 1 . . . . . . . . 6373 1 573 . 1 1 124 124 LEU CB C 13 47.58 0.3 . 1 . . . . . . . . 6373 1 574 . 1 1 125 125 ALA H H 1 8.82 0.02 . 1 . . . . . . . . 6373 1 575 . 1 1 125 125 ALA N N 15 129.61 0.1 . 1 . . . . . . . . 6373 1 576 . 1 1 125 125 ALA CA C 13 52.43 0.3 . 1 . . . . . . . . 6373 1 577 . 1 1 125 125 ALA C C 13 176.58 0.1 . 1 . . . . . . . . 6373 1 578 . 1 1 125 125 ALA CB C 13 19.63 0.3 . 1 . . . . . . . . 6373 1 579 . 1 1 126 126 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 6373 1 580 . 1 1 126 126 VAL N N 15 113.21 0.1 . 1 . . . . . . . . 6373 1 581 . 1 1 126 126 VAL CA C 13 60.68 0.3 . 1 . . . . . . . . 6373 1 582 . 1 1 126 126 VAL C C 13 175.16 0.1 . 1 . . . . . . . . 6373 1 583 . 1 1 126 126 VAL CB C 13 33.85 0.3 . 1 . . . . . . . . 6373 1 584 . 1 1 127 127 GLY H H 1 7.27 0.02 . 1 . . . . . . . . 6373 1 585 . 1 1 127 127 GLY N N 15 106.71 0.1 . 1 . . . . . . . . 6373 1 586 . 1 1 127 127 GLY CA C 13 46.46 0.3 . 1 . . . . . . . . 6373 1 587 . 1 1 127 127 GLY C C 13 171.57 0.1 . 1 . . . . . . . . 6373 1 588 . 1 1 128 128 VAL H H 1 8.52 0.02 . 1 . . . . . . . . 6373 1 589 . 1 1 128 128 VAL N N 15 117.45 0.1 . 1 . . . . . . . . 6373 1 590 . 1 1 128 128 VAL CA C 13 60.47 0.3 . 1 . . . . . . . . 6373 1 591 . 1 1 128 128 VAL C C 13 174.44 0.1 . 1 . . . . . . . . 6373 1 592 . 1 1 128 128 VAL CB C 13 37.94 0.3 . 1 . . . . . . . . 6373 1 593 . 1 1 129 129 ILE H H 1 9.26 0.02 . 1 . . . . . . . . 6373 1 594 . 1 1 129 129 ILE N N 15 124.09 0.1 . 1 . . . . . . . . 6373 1 595 . 1 1 129 129 ILE CA C 13 60.71 0.3 . 1 . . . . . . . . 6373 1 596 . 1 1 129 129 ILE C C 13 173.12 0.1 . 1 . . . . . . . . 6373 1 597 . 1 1 129 129 ILE CB C 13 42.16 0.3 . 1 . . . . . . . . 6373 1 598 . 1 1 130 130 ARG H H 1 9.34 0.02 . 1 . . . . . . . . 6373 1 599 . 1 1 130 130 ARG N N 15 128.5 0.1 . 1 . . . . . . . . 6373 1 600 . 1 1 130 130 ARG CA C 13 54.97 0.3 . 1 . . . . . . . . 6373 1 601 . 1 1 130 130 ARG C C 13 175.04 0.1 . 1 . . . . . . . . 6373 1 602 . 1 1 130 130 ARG CB C 13 33.53 0.3 . 1 . . . . . . . . 6373 1 603 . 1 1 131 131 ASN H H 1 8.52 0.02 . 1 . . . . . . . . 6373 1 604 . 1 1 131 131 ASN N N 15 124.76 0.1 . 1 . . . . . . . . 6373 1 605 . 1 1 131 131 ASN CA C 13 52.5 0.3 . 1 . . . . . . . . 6373 1 606 . 1 1 131 131 ASN C C 13 175.19 0.1 . 1 . . . . . . . . 6373 1 607 . 1 1 131 131 ASN CB C 13 39.33 0.3 . 1 . . . . . . . . 6373 1 608 . 1 1 132 132 GLY H H 1 7.76 0.02 . 1 . . . . . . . . 6373 1 609 . 1 1 132 132 GLY N N 15 109.11 0.1 . 1 . . . . . . . . 6373 1 610 . 1 1 132 132 GLY CA C 13 45.4 0.3 . 1 . . . . . . . . 6373 1 611 . 1 1 132 132 GLY C C 13 173.28 0.1 . 1 . . . . . . . . 6373 1 612 . 1 1 133 133 ASP H H 1 8.13 0.02 . 1 . . . . . . . . 6373 1 613 . 1 1 133 133 ASP N N 15 119.50 0.1 . 1 . . . . . . . . 6373 1 614 . 1 1 133 133 ASP CA C 13 54.96 0.3 . 1 . . . . . . . . 6373 1 615 . 1 1 133 133 ASP C C 13 176.06 0.1 . 1 . . . . . . . . 6373 1 616 . 1 1 133 133 ASP CB C 13 41.59 0.3 . 1 . . . . . . . . 6373 1 617 . 1 1 134 134 TRP H H 1 7.85 0.02 . 1 . . . . . . . . 6373 1 618 . 1 1 134 134 TRP N N 15 119.44 0.1 . 1 . . . . . . . . 6373 1 619 . 1 1 134 134 TRP CA C 13 57.17 0.3 . 1 . . . . . . . . 6373 1 620 . 1 1 134 134 TRP C C 13 175.28 0.1 . 1 . . . . . . . . 6373 1 621 . 1 1 134 134 TRP CB C 13 29.77 0.3 . 1 . . . . . . . . 6373 1 622 . 1 1 134 134 TRP NE1 N 15 129.16 0.1 . 1 . . . . . . . . 6373 1 623 . 1 1 134 134 TRP HE1 H 1 9.89 0.03 . 1 . . . . . . . . 6373 1 624 . 1 1 135 135 LEU H H 1 7.80 0.02 . 1 . . . . . . . . 6373 1 625 . 1 1 135 135 LEU N N 15 128.95 0.1 . 1 . . . . . . . . 6373 1 626 . 1 1 135 135 LEU CA C 13 57.09 0.3 . 1 . . . . . . . . 6373 1 627 . 1 1 135 135 LEU CB C 13 43.78 0.3 . 1 . . . . . . . . 6373 1 stop_ save_