data_916 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 916 _Entry.Title ; Sequence-Specific 1H NMR Assignments and Secondary Structure in Solution of Escherichia coli trp Repressor ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Cheryl Arrowsmith . H. . 916 2 R. Pachter . . . 916 3 R. Altman . B. . 916 4 S. Iyer . B. . 916 5 Oleg Jardetzky . . . 916 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 916 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 411 916 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 5 . . 2010-06-11 . revision BMRB 'Complete natural source information' 916 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 916 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 916 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 916 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 916 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 916 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Arrowsmith, Cheryl H., Pachter, R., Altman, R.B., Iyer, S.B., Jardetzky, Oleg, "Sequence-Specific 1H NMR Assignments and Secondary Structure in Solution of Escherichia coli trp Repressor," Biochemistry 29, 6332-6341 (1990). ; _Citation.Title ; Sequence-Specific 1H NMR Assignments and Secondary Structure in Solution of Escherichia coli trp Repressor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue . _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 6332 _Citation.Page_last 6341 _Citation.Year 1990 _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 Cheryl Arrowsmith . H. . 916 1 2 R. Pachter . . . 916 1 3 R. Altman . B. . 916 1 4 S. Iyer . B. . 916 1 5 Oleg Jardetzky . . . 916 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_trp_repressor _Assembly.Sf_category assembly _Assembly.Sf_framecode system_trp_repressor _Assembly.Entry_ID 916 _Assembly.ID 1 _Assembly.Name 'trp repressor' _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'trp repressor' 1 $trp_repressor . . . . . . . . . 916 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'trp repressor' system 916 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_trp_repressor _Entity.Sf_category entity _Entity.Sf_framecode trp_repressor _Entity.Entry_ID 916 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'trp repressor' _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 ; AQQSPYSAAMAEQRHQEWLR FVDLLKNAYQNDLHLPLLNL MLTPDEREALGTRVRIVEEL LRGEMSQRELKNELGAGIAT ITRGSNSLKAAPVELRQWLE EVLLKSD ; _Entity.Polymer_seq_one_letter_code ; AQQSPYSAAMAEQRHQEWLR FVDLLKNAYQNDLHLPLLNL MLTPDEREALGTRVRIVEEL LRGEMSQRELKNELGAGIAT ITRGSNSLKAAPVELRQWLE EVLLKSD ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 17010 . apo-TrpR . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 2 no BMRB 17012 . apo-L75F-TrpR . . . . . 100.00 108 99.07 99.07 3.11e-69 . . . . 916 1 3 no BMRB 17013 . apo-A77V-TrpR . . . . . 100.00 108 99.07 99.07 5.14e-69 . . . . 916 1 4 no BMRB 17041 . TrpR . . . . . 100.00 113 100.00 100.00 1.32e-69 . . . . 916 1 5 no BMRB 17046 . TrpR_L75F . . . . . 100.00 113 99.07 99.07 2.99e-69 . . . . 916 1 6 no BMRB 17047 . TrpR_A77V . . . . . 100.00 113 99.07 99.07 4.99e-69 . . . . 916 1 7 no BMRB 2040 . "trp repressor" . . . . . 100.00 107 99.07 100.00 5.75e-69 . . . . 916 1 8 no BMRB 2042 . "trp repressor" . . . . . 100.00 107 99.07 100.00 5.75e-69 . . . . 916 1 9 no BMRB 2043 . "trp repressor" . . . . . 100.00 107 99.07 100.00 5.75e-69 . . . . 916 1 10 no BMRB 2074 . "trp repressor" . . . . . 100.00 107 99.07 100.00 5.75e-69 . . . . 916 1 11 no BMRB 2173 . "trp repressor" . . . . . 100.00 107 99.07 100.00 5.75e-69 . . . . 916 1 12 no BMRB 2209 . "trp repressor" . . . . . 100.00 107 99.07 100.00 5.75e-69 . . . . 916 1 13 no BMRB 2764 . "trp repressor" . . . . . 100.00 107 99.07 100.00 5.75e-69 . . . . 916 1 14 no BMRB 441 . "trp repressor" . . . . . 100.00 107 100.00 100.00 1.57e-69 . . . . 916 1 15 no BMRB 442 . "trp repressor" . . . . . 100.00 107 100.00 100.00 1.57e-69 . . . . 916 1 16 no PDB 1CO0 . "Nmr Study Of Trp Repressor-Mtr Operator Dna Complex" . . . . . 100.00 107 100.00 100.00 1.57e-69 . . . . 916 1 17 no PDB 1JHG . "Trp Repressor Mutant V58i" . . . . . 94.39 101 99.01 100.00 3.73e-64 . . . . 916 1 18 no PDB 1MI7 . "Crystal Structure Of Domain Swapped Trp Aporepressor In 30%(VV) Isopropanol" . . . . . 100.00 107 100.00 100.00 1.57e-69 . . . . 916 1 19 no PDB 1RCS . "Nmr Study Of Trp Repressor-Operator Dna Complex" . . . . . 98.13 105 100.00 100.00 4.38e-68 . . . . 916 1 20 no PDB 1TRO . "Crystal Structure Of Trp Repressor Operator Complex At Atomic Resolution" . . . . . 100.00 108 99.07 100.00 5.93e-69 . . . . 916 1 21 no PDB 1TRR . "Tandem Binding In Crystals Of A Trp RepressorOPERATOR HALF- Site Complex" . . . . . 100.00 107 99.07 100.00 5.75e-69 . . . . 916 1 22 no PDB 1WRP . "Flexibility Of The Dna-binding Domains Of Trp Repressor" . . . . . 100.00 107 100.00 100.00 1.57e-69 . . . . 916 1 23 no PDB 1WRS . "Nmr Study Of Holo Trp Repressor" . . . . . 98.13 105 100.00 100.00 4.38e-68 . . . . 916 1 24 no PDB 1WRT . "Nmr Study Of Apo Trp Repressor" . . . . . 98.13 105 100.00 100.00 4.38e-68 . . . . 916 1 25 no PDB 1ZT9 . "E. Coli Trp Repressor, Tetragonal Crystal Form" . . . . . 100.00 107 100.00 100.00 1.57e-69 . . . . 916 1 26 no PDB 2OZ9 . "E. Coli Trp Holorepressor, Orthorhombic Crystal Form" . . . . . 100.00 107 100.00 100.00 1.57e-69 . . . . 916 1 27 no PDB 2XDI . "Tryptophan Repressor With L75f Mutation In Its Apo Form (no L-tryptophan Bound)" . . . . . 100.00 107 99.07 99.07 3.55e-69 . . . . 916 1 28 no PDB 3SSW . "E. Coli Trp Aporepressor" . . . . . 100.00 107 100.00 100.00 1.57e-69 . . . . 916 1 29 no PDB 3SSX . "E. Coli Trp Aporeporessor L75f Mutant" . . . . . 100.00 107 99.07 99.07 3.55e-69 . . . . 916 1 30 no PDB 3WRP . "Flexibility Of The Dna-Binding Domains Of Trp Repressor" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 31 no DBJ BAB38774 . "regulator for trp operon and aroH [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 32 no DBJ BAE78382 . "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 33 no DBJ BAG80193 . "tryptophan operon repressor [Escherichia coli SE11]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 34 no DBJ BAI28718 . "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 35 no DBJ BAI33927 . "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 36 no EMBL CAP78881 . "Trp operon repressor [Escherichia coli LF82]" . . . . . 100.00 108 99.07 100.00 4.27e-69 . . . . 916 1 37 no EMBL CAQ34751 . "TrpR transcriptional repressor [Escherichia coli BL21(DE3)]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 38 no EMBL CAQ91905 . "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia fergusonii ATCC 35469]" . . . . . 98.13 108 100.00 100.00 8.86e-68 . . . . 916 1 39 no EMBL CAR01357 . "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli IAI1]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 40 no EMBL CAR06215 . "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli S88]" . . . . . 100.00 108 99.07 100.00 4.27e-69 . . . . 916 1 41 no GB AAA72134 . "tryptophan repressor [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 108 97.20 99.07 5.08e-68 . . . . 916 1 42 no GB AAA72140 . "trp operon repressor protein (trpR) [Escherichia coli]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 43 no GB AAA97289 . "CG Site No. 68; alternate gene name Rtry [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 44 no GB AAC77346 . "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 45 no GB AAG59573 . "regulator for trp operon and aroH; trp aporepressor [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 46 no REF NP_291006 . "Trp operon repressor [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 47 no REF NP_313378 . "Trp operon repressor [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 48 no REF NP_418810 . "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 49 no REF NP_710132 . "Trp operon repressor [Shigella flexneri 2a str. 301]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 50 no REF NP_757326 . "Trp operon repressor [Escherichia coli CFT073]" . . . . . 100.00 108 99.07 100.00 4.27e-69 . . . . 916 1 51 no SP A1AJW2 . "RecName: Full=Trp operon repressor [Escherichia coli APEC O1]" . . . . . 100.00 108 99.07 100.00 4.27e-69 . . . . 916 1 52 no SP A7ZVT5 . "RecName: Full=Trp operon repressor [Escherichia coli E24377A]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 53 no SP A8A8C2 . "RecName: Full=Trp operon repressor [Escherichia coli HS]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 54 no SP B1IS26 . "RecName: Full=Trp operon repressor [Escherichia coli ATCC 8739]" . . . . . 100.00 108 100.00 100.00 1.37e-69 . . . . 916 1 55 no SP B1LEK0 . "RecName: Full=Trp operon repressor [Escherichia coli SMS-3-5]" . . . . . 98.13 108 99.05 100.00 2.31e-67 . . . . 916 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'trp repressor' common 916 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 . ALA . 916 1 2 . GLN . 916 1 3 . GLN . 916 1 4 . SER . 916 1 5 . PRO . 916 1 6 . TYR . 916 1 7 . SER . 916 1 8 . ALA . 916 1 9 . ALA . 916 1 10 . MET . 916 1 11 . ALA . 916 1 12 . GLU . 916 1 13 . GLN . 916 1 14 . ARG . 916 1 15 . HIS . 916 1 16 . GLN . 916 1 17 . GLU . 916 1 18 . TRP . 916 1 19 . LEU . 916 1 20 . ARG . 916 1 21 . PHE . 916 1 22 . VAL . 916 1 23 . ASP . 916 1 24 . LEU . 916 1 25 . LEU . 916 1 26 . LYS . 916 1 27 . ASN . 916 1 28 . ALA . 916 1 29 . TYR . 916 1 30 . GLN . 916 1 31 . ASN . 916 1 32 . ASP . 916 1 33 . LEU . 916 1 34 . HIS . 916 1 35 . LEU . 916 1 36 . PRO . 916 1 37 . LEU . 916 1 38 . LEU . 916 1 39 . ASN . 916 1 40 . LEU . 916 1 41 . MET . 916 1 42 . LEU . 916 1 43 . THR . 916 1 44 . PRO . 916 1 45 . ASP . 916 1 46 . GLU . 916 1 47 . ARG . 916 1 48 . GLU . 916 1 49 . ALA . 916 1 50 . LEU . 916 1 51 . GLY . 916 1 52 . THR . 916 1 53 . ARG . 916 1 54 . VAL . 916 1 55 . ARG . 916 1 56 . ILE . 916 1 57 . VAL . 916 1 58 . GLU . 916 1 59 . GLU . 916 1 60 . LEU . 916 1 61 . LEU . 916 1 62 . ARG . 916 1 63 . GLY . 916 1 64 . GLU . 916 1 65 . MET . 916 1 66 . SER . 916 1 67 . GLN . 916 1 68 . ARG . 916 1 69 . GLU . 916 1 70 . LEU . 916 1 71 . LYS . 916 1 72 . ASN . 916 1 73 . GLU . 916 1 74 . LEU . 916 1 75 . GLY . 916 1 76 . ALA . 916 1 77 . GLY . 916 1 78 . ILE . 916 1 79 . ALA . 916 1 80 . THR . 916 1 81 . ILE . 916 1 82 . THR . 916 1 83 . ARG . 916 1 84 . GLY . 916 1 85 . SER . 916 1 86 . ASN . 916 1 87 . SER . 916 1 88 . LEU . 916 1 89 . LYS . 916 1 90 . ALA . 916 1 91 . ALA . 916 1 92 . PRO . 916 1 93 . VAL . 916 1 94 . GLU . 916 1 95 . LEU . 916 1 96 . ARG . 916 1 97 . GLN . 916 1 98 . TRP . 916 1 99 . LEU . 916 1 100 . GLU . 916 1 101 . GLU . 916 1 102 . VAL . 916 1 103 . LEU . 916 1 104 . LEU . 916 1 105 . LYS . 916 1 106 . SER . 916 1 107 . ASP . 916 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 . ALA 1 1 916 1 . GLN 2 2 916 1 . GLN 3 3 916 1 . SER 4 4 916 1 . PRO 5 5 916 1 . TYR 6 6 916 1 . SER 7 7 916 1 . ALA 8 8 916 1 . ALA 9 9 916 1 . MET 10 10 916 1 . ALA 11 11 916 1 . GLU 12 12 916 1 . GLN 13 13 916 1 . ARG 14 14 916 1 . HIS 15 15 916 1 . GLN 16 16 916 1 . GLU 17 17 916 1 . TRP 18 18 916 1 . LEU 19 19 916 1 . ARG 20 20 916 1 . PHE 21 21 916 1 . VAL 22 22 916 1 . ASP 23 23 916 1 . LEU 24 24 916 1 . LEU 25 25 916 1 . LYS 26 26 916 1 . ASN 27 27 916 1 . ALA 28 28 916 1 . TYR 29 29 916 1 . GLN 30 30 916 1 . ASN 31 31 916 1 . ASP 32 32 916 1 . LEU 33 33 916 1 . HIS 34 34 916 1 . LEU 35 35 916 1 . PRO 36 36 916 1 . LEU 37 37 916 1 . LEU 38 38 916 1 . ASN 39 39 916 1 . LEU 40 40 916 1 . MET 41 41 916 1 . LEU 42 42 916 1 . THR 43 43 916 1 . PRO 44 44 916 1 . ASP 45 45 916 1 . GLU 46 46 916 1 . ARG 47 47 916 1 . GLU 48 48 916 1 . ALA 49 49 916 1 . LEU 50 50 916 1 . GLY 51 51 916 1 . THR 52 52 916 1 . ARG 53 53 916 1 . VAL 54 54 916 1 . ARG 55 55 916 1 . ILE 56 56 916 1 . VAL 57 57 916 1 . GLU 58 58 916 1 . GLU 59 59 916 1 . LEU 60 60 916 1 . LEU 61 61 916 1 . ARG 62 62 916 1 . GLY 63 63 916 1 . GLU 64 64 916 1 . MET 65 65 916 1 . SER 66 66 916 1 . GLN 67 67 916 1 . ARG 68 68 916 1 . GLU 69 69 916 1 . LEU 70 70 916 1 . LYS 71 71 916 1 . ASN 72 72 916 1 . GLU 73 73 916 1 . LEU 74 74 916 1 . GLY 75 75 916 1 . ALA 76 76 916 1 . GLY 77 77 916 1 . ILE 78 78 916 1 . ALA 79 79 916 1 . THR 80 80 916 1 . ILE 81 81 916 1 . THR 82 82 916 1 . ARG 83 83 916 1 . GLY 84 84 916 1 . SER 85 85 916 1 . ASN 86 86 916 1 . SER 87 87 916 1 . LEU 88 88 916 1 . LYS 89 89 916 1 . ALA 90 90 916 1 . ALA 91 91 916 1 . PRO 92 92 916 1 . VAL 93 93 916 1 . GLU 94 94 916 1 . LEU 95 95 916 1 . ARG 96 96 916 1 . GLN 97 97 916 1 . TRP 98 98 916 1 . LEU 99 99 916 1 . GLU 100 100 916 1 . GLU 101 101 916 1 . VAL 102 102 916 1 . LEU 103 103 916 1 . LEU 104 104 916 1 . LYS 105 105 916 1 . SER 106 106 916 1 . ASP 107 107 916 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 916 _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 $trp_repressor . 562 organism . 'Escherichia coli' 'E. coli' . . Eukaryota Metazoa Escherichia coli . . . . . . . . . . . . . . . . . . . . . 916 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 916 _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 $trp_repressor . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 916 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 916 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 916 _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 5.7 . na 916 1 temperature 320 . K 916 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 916 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 916 _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 unknown unknown . 0 'spectrometer information not available' . . 916 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 916 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 916 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 916 _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 H . TSP . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 916 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 916 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 916 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 ALA HA H 1 4.16 . . 1 . . . . . . . . 916 1 2 . 1 1 1 1 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 916 1 3 . 1 1 1 1 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 916 1 4 . 1 1 1 1 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 916 1 5 . 1 1 2 2 GLN H H 1 8.43 . . 1 . . . . . . . . 916 1 6 . 1 1 2 2 GLN HA H 1 4.42 . . 1 . . . . . . . . 916 1 7 . 1 1 2 2 GLN HG2 H 1 2.39 . . 1 . . . . . . . . 916 1 8 . 1 1 2 2 GLN HG3 H 1 2.39 . . 1 . . . . . . . . 916 1 9 . 1 1 3 3 GLN H H 1 8.43 . . 1 . . . . . . . . 916 1 10 . 1 1 3 3 GLN HA H 1 4.42 . . 1 . . . . . . . . 916 1 11 . 1 1 3 3 GLN HG2 H 1 2.39 . . 1 . . . . . . . . 916 1 12 . 1 1 3 3 GLN HG3 H 1 2.39 . . 1 . . . . . . . . 916 1 13 . 1 1 4 4 SER H H 1 8.34 . . 1 . . . . . . . . 916 1 14 . 1 1 4 4 SER HA H 1 4.8 . . 1 . . . . . . . . 916 1 15 . 1 1 5 5 PRO HA H 1 4.4 . . 1 . . . . . . . . 916 1 16 . 1 1 6 6 TYR H H 1 7.91 . . 1 . . . . . . . . 916 1 17 . 1 1 6 6 TYR HA H 1 4.57 . . 1 . . . . . . . . 916 1 18 . 1 1 6 6 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 916 1 19 . 1 1 6 6 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 916 1 20 . 1 1 6 6 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 916 1 21 . 1 1 6 6 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 916 1 22 . 1 1 11 11 ALA H H 1 8.19 . . 1 . . . . . . . . 916 1 23 . 1 1 11 11 ALA HA H 1 4.22 . . 1 . . . . . . . . 916 1 24 . 1 1 11 11 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 916 1 25 . 1 1 11 11 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 916 1 26 . 1 1 11 11 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 916 1 27 . 1 1 12 12 GLU H H 1 8.29 . . 1 . . . . . . . . 916 1 28 . 1 1 12 12 GLU HA H 1 4.22 . . 1 . . . . . . . . 916 1 29 . 1 1 12 12 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 916 1 30 . 1 1 12 12 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 916 1 31 . 1 1 13 13 GLN H H 1 8.22 . . 1 . . . . . . . . 916 1 32 . 1 1 13 13 GLN HA H 1 4.22 . . 1 . . . . . . . . 916 1 33 . 1 1 14 14 ARG HA H 1 4.27 . . 1 . . . . . . . . 916 1 34 . 1 1 14 14 ARG HB2 H 1 1.98 . . 1 . . . . . . . . 916 1 35 . 1 1 14 14 ARG HB3 H 1 1.98 . . 1 . . . . . . . . 916 1 36 . 1 1 14 14 ARG HG2 H 1 1.78 . . 1 . . . . . . . . 916 1 37 . 1 1 14 14 ARG HG3 H 1 1.78 . . 1 . . . . . . . . 916 1 38 . 1 1 14 14 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 916 1 39 . 1 1 14 14 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 916 1 40 . 1 1 15 15 HIS H H 1 8.34 . . 1 . . . . . . . . 916 1 41 . 1 1 15 15 HIS HA H 1 4.7 . . 1 . . . . . . . . 916 1 42 . 1 1 15 15 HIS HD2 H 1 7.35 . . 1 . . . . . . . . 916 1 43 . 1 1 15 15 HIS HE1 H 1 8.5 . . 1 . . . . . . . . 916 1 44 . 1 1 16 16 GLN H H 1 8.34 . . 1 . . . . . . . . 916 1 45 . 1 1 16 16 GLN HA H 1 4 . . 1 . . . . . . . . 916 1 46 . 1 1 16 16 GLN HG2 H 1 2.57 . . 1 . . . . . . . . 916 1 47 . 1 1 16 16 GLN HG3 H 1 2.57 . . 1 . . . . . . . . 916 1 48 . 1 1 17 17 GLU H H 1 8.43 . . 1 . . . . . . . . 916 1 49 . 1 1 17 17 GLU HA H 1 4.11 . . 1 . . . . . . . . 916 1 50 . 1 1 17 17 GLU HG2 H 1 2.59 . . 1 . . . . . . . . 916 1 51 . 1 1 17 17 GLU HG3 H 1 2.59 . . 1 . . . . . . . . 916 1 52 . 1 1 18 18 TRP H H 1 8.09 . . 1 . . . . . . . . 916 1 53 . 1 1 18 18 TRP HA H 1 4.79 . . 1 . . . . . . . . 916 1 54 . 1 1 18 18 TRP HD1 H 1 7.08 . . 1 . . . . . . . . 916 1 55 . 1 1 18 18 TRP HE1 H 1 9.98 . . 1 . . . . . . . . 916 1 56 . 1 1 18 18 TRP HE3 H 1 7.78 . . 1 . . . . . . . . 916 1 57 . 1 1 18 18 TRP HZ2 H 1 7.33 . . 1 . . . . . . . . 916 1 58 . 1 1 18 18 TRP HZ3 H 1 6.94 . . 1 . . . . . . . . 916 1 59 . 1 1 18 18 TRP HH2 H 1 7.06 . . 1 . . . . . . . . 916 1 60 . 1 1 19 19 LEU H H 1 7.99 . . 1 . . . . . . . . 916 1 61 . 1 1 19 19 LEU HA H 1 3 . . 1 . . . . . . . . 916 1 62 . 1 1 19 19 LEU HG H 1 1.6 . . 1 . . . . . . . . 916 1 63 . 1 1 20 20 ARG HA H 1 4.14 . . 1 . . . . . . . . 916 1 64 . 1 1 20 20 ARG HB2 H 1 1.86 . . 1 . . . . . . . . 916 1 65 . 1 1 20 20 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 916 1 66 . 1 1 20 20 ARG HG2 H 1 1.62 . . 1 . . . . . . . . 916 1 67 . 1 1 20 20 ARG HG3 H 1 1.62 . . 1 . . . . . . . . 916 1 68 . 1 1 20 20 ARG HD2 H 1 3.25 . . 1 . . . . . . . . 916 1 69 . 1 1 20 20 ARG HD3 H 1 3.25 . . 1 . . . . . . . . 916 1 70 . 1 1 21 21 PHE H H 1 7.78 . . 1 . . . . . . . . 916 1 71 . 1 1 21 21 PHE HA H 1 4.03 . . 1 . . . . . . . . 916 1 72 . 1 1 21 21 PHE HD1 H 1 6.95 . . 1 . . . . . . . . 916 1 73 . 1 1 21 21 PHE HD2 H 1 6.95 . . 1 . . . . . . . . 916 1 74 . 1 1 21 21 PHE HE1 H 1 7.08 . . 1 . . . . . . . . 916 1 75 . 1 1 21 21 PHE HE2 H 1 7.08 . . 1 . . . . . . . . 916 1 76 . 1 1 21 21 PHE HZ H 1 7.08 . . 1 . . . . . . . . 916 1 77 . 1 1 22 22 VAL H H 1 7.78 . . 1 . . . . . . . . 916 1 78 . 1 1 22 22 VAL HA H 1 2.92 . . 1 . . . . . . . . 916 1 79 . 1 1 22 22 VAL HB H 1 1.93 . . 1 . . . . . . . . 916 1 80 . 1 1 23 23 ASP H H 1 8.05 . . 1 . . . . . . . . 916 1 81 . 1 1 23 23 ASP HA H 1 4.47 . . 1 . . . . . . . . 916 1 82 . 1 1 24 24 LEU H H 1 8.1 . . 1 . . . . . . . . 916 1 83 . 1 1 25 25 LEU H H 1 8.22 . . 1 . . . . . . . . 916 1 84 . 1 1 25 25 LEU HA H 1 3.82 . . 1 . . . . . . . . 916 1 85 . 1 1 26 26 LYS H H 1 7.49 . . 1 . . . . . . . . 916 1 86 . 1 1 26 26 LYS HA H 1 4.42 . . 1 . . . . . . . . 916 1 87 . 1 1 26 26 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 916 1 88 . 1 1 26 26 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 916 1 89 . 1 1 26 26 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 916 1 90 . 1 1 26 26 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 916 1 91 . 1 1 27 27 ASN H H 1 7.71 . . 1 . . . . . . . . 916 1 92 . 1 1 27 27 ASN HA H 1 4.42 . . 1 . . . . . . . . 916 1 93 . 1 1 27 27 ASN HB2 H 1 3.08 . . 1 . . . . . . . . 916 1 94 . 1 1 27 27 ASN HB3 H 1 3.08 . . 1 . . . . . . . . 916 1 95 . 1 1 27 27 ASN HD21 H 1 7.28 . . 1 . . . . . . . . 916 1 96 . 1 1 27 27 ASN HD22 H 1 7.28 . . 1 . . . . . . . . 916 1 97 . 1 1 28 28 ALA H H 1 8.89 . . 1 . . . . . . . . 916 1 98 . 1 1 28 28 ALA HA H 1 3.35 . . 1 . . . . . . . . 916 1 99 . 1 1 28 28 ALA HB1 H 1 1.13 . . 1 . . . . . . . . 916 1 100 . 1 1 28 28 ALA HB2 H 1 1.13 . . 1 . . . . . . . . 916 1 101 . 1 1 28 28 ALA HB3 H 1 1.13 . . 1 . . . . . . . . 916 1 102 . 1 1 29 29 TYR H H 1 8.4 . . 1 . . . . . . . . 916 1 103 . 1 1 29 29 TYR HA H 1 4.69 . . 1 . . . . . . . . 916 1 104 . 1 1 29 29 TYR HD1 H 1 6.39 . . 1 . . . . . . . . 916 1 105 . 1 1 29 29 TYR HD2 H 1 6.39 . . 1 . . . . . . . . 916 1 106 . 1 1 29 29 TYR HE1 H 1 6.28 . . 1 . . . . . . . . 916 1 107 . 1 1 29 29 TYR HE2 H 1 6.28 . . 1 . . . . . . . . 916 1 108 . 1 1 30 30 GLN H H 1 7.4 . . 1 . . . . . . . . 916 1 109 . 1 1 30 30 GLN HA H 1 4.08 . . 1 . . . . . . . . 916 1 110 . 1 1 30 30 GLN HB2 H 1 2.2 . . 1 . . . . . . . . 916 1 111 . 1 1 30 30 GLN HB3 H 1 2.2 . . 1 . . . . . . . . 916 1 112 . 1 1 30 30 GLN HG2 H 1 2.51 . . 1 . . . . . . . . 916 1 113 . 1 1 30 30 GLN HG3 H 1 2.51 . . 1 . . . . . . . . 916 1 114 . 1 1 31 31 ASN H H 1 7.32 . . 1 . . . . . . . . 916 1 115 . 1 1 31 31 ASN HA H 1 4.75 . . 1 . . . . . . . . 916 1 116 . 1 1 32 32 ASP H H 1 7.88 . . 1 . . . . . . . . 916 1 117 . 1 1 32 32 ASP HA H 1 4.78 . . 1 . . . . . . . . 916 1 118 . 1 1 33 33 LEU H H 1 8.28 . . 1 . . . . . . . . 916 1 119 . 1 1 33 33 LEU HA H 1 4.25 . . 1 . . . . . . . . 916 1 120 . 1 1 33 33 LEU HG H 1 1.18 . . 1 . . . . . . . . 916 1 121 . 1 1 34 34 HIS H H 1 9.02 . . 1 . . . . . . . . 916 1 122 . 1 1 34 34 HIS HA H 1 3.58 . . 1 . . . . . . . . 916 1 123 . 1 1 34 34 HIS HD2 H 1 6.35 . . 1 . . . . . . . . 916 1 124 . 1 1 34 34 HIS HE1 H 1 8.01 . . 1 . . . . . . . . 916 1 125 . 1 1 35 35 LEU H H 1 7.42 . . 1 . . . . . . . . 916 1 126 . 1 1 35 35 LEU HA H 1 4.24 . . 1 . . . . . . . . 916 1 127 . 1 1 35 35 LEU HB2 H 1 1.7 . . 1 . . . . . . . . 916 1 128 . 1 1 35 35 LEU HB3 H 1 1.7 . . 1 . . . . . . . . 916 1 129 . 1 1 35 35 LEU HG H 1 1.3 . . 1 . . . . . . . . 916 1 130 . 1 1 35 35 LEU HD11 H 1 .98 . . 1 . . . . . . . . 916 1 131 . 1 1 35 35 LEU HD12 H 1 .98 . . 1 . . . . . . . . 916 1 132 . 1 1 35 35 LEU HD13 H 1 .98 . . 1 . . . . . . . . 916 1 133 . 1 1 35 35 LEU HD21 H 1 .98 . . 1 . . . . . . . . 916 1 134 . 1 1 35 35 LEU HD22 H 1 .98 . . 1 . . . . . . . . 916 1 135 . 1 1 35 35 LEU HD23 H 1 .98 . . 1 . . . . . . . . 916 1 136 . 1 1 36 36 PRO HA H 1 4.46 . . 1 . . . . . . . . 916 1 137 . 1 1 36 36 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 916 1 138 . 1 1 36 36 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 916 1 139 . 1 1 37 37 LEU H H 1 7.97 . . 1 . . . . . . . . 916 1 140 . 1 1 37 37 LEU HA H 1 4.33 . . 1 . . . . . . . . 916 1 141 . 1 1 38 38 LEU H H 1 8.89 . . 1 . . . . . . . . 916 1 142 . 1 1 38 38 LEU HA H 1 4.2 . . 1 . . . . . . . . 916 1 143 . 1 1 38 38 LEU HB2 H 1 2.49 . . 1 . . . . . . . . 916 1 144 . 1 1 38 38 LEU HB3 H 1 2.49 . . 1 . . . . . . . . 916 1 145 . 1 1 38 38 LEU HG H 1 1.92 . . 1 . . . . . . . . 916 1 146 . 1 1 39 39 ASN H H 1 8.18 . . 1 . . . . . . . . 916 1 147 . 1 1 39 39 ASN HA H 1 4.64 . . 1 . . . . . . . . 916 1 148 . 1 1 40 40 LEU H H 1 7.69 . . 1 . . . . . . . . 916 1 149 . 1 1 41 41 MET H H 1 8.64 . . 1 . . . . . . . . 916 1 150 . 1 1 41 41 MET HA H 1 4.62 . . 1 . . . . . . . . 916 1 151 . 1 1 42 42 LEU H H 1 7.64 . . 1 . . . . . . . . 916 1 152 . 1 1 42 42 LEU HA H 1 4.8 . . 1 . . . . . . . . 916 1 153 . 1 1 42 42 LEU HD11 H 1 .9 . . 1 . . . . . . . . 916 1 154 . 1 1 42 42 LEU HD12 H 1 .9 . . 1 . . . . . . . . 916 1 155 . 1 1 42 42 LEU HD13 H 1 .9 . . 1 . . . . . . . . 916 1 156 . 1 1 42 42 LEU HD21 H 1 .9 . . 1 . . . . . . . . 916 1 157 . 1 1 42 42 LEU HD22 H 1 .9 . . 1 . . . . . . . . 916 1 158 . 1 1 42 42 LEU HD23 H 1 .9 . . 1 . . . . . . . . 916 1 159 . 1 1 43 43 THR H H 1 9.5 . . 1 . . . . . . . . 916 1 160 . 1 1 43 43 THR HA H 1 5.19 . . 1 . . . . . . . . 916 1 161 . 1 1 43 43 THR HB H 1 4.72 . . 1 . . . . . . . . 916 1 162 . 1 1 43 43 THR HG21 H 1 1.46 . . 1 . . . . . . . . 916 1 163 . 1 1 43 43 THR HG22 H 1 1.46 . . 1 . . . . . . . . 916 1 164 . 1 1 43 43 THR HG23 H 1 1.46 . . 1 . . . . . . . . 916 1 165 . 1 1 44 44 PRO HG2 H 1 1.96 . . 1 . . . . . . . . 916 1 166 . 1 1 44 44 PRO HG3 H 1 1.96 . . 1 . . . . . . . . 916 1 167 . 1 1 45 45 ASP H H 1 7.95 . . 1 . . . . . . . . 916 1 168 . 1 1 45 45 ASP HA H 1 4.32 . . 1 . . . . . . . . 916 1 169 . 1 1 46 46 GLU H H 1 7.8 . . 1 . . . . . . . . 916 1 170 . 1 1 46 46 GLU HA H 1 3.88 . . 1 . . . . . . . . 916 1 171 . 1 1 46 46 GLU HG2 H 1 1.63 . . 1 . . . . . . . . 916 1 172 . 1 1 46 46 GLU HG3 H 1 1.63 . . 1 . . . . . . . . 916 1 173 . 1 1 47 47 ARG H H 1 7.57 . . 1 . . . . . . . . 916 1 174 . 1 1 47 47 ARG HA H 1 3.52 . . 1 . . . . . . . . 916 1 175 . 1 1 47 47 ARG HG2 H 1 1.62 . . 1 . . . . . . . . 916 1 176 . 1 1 47 47 ARG HG3 H 1 1.62 . . 1 . . . . . . . . 916 1 177 . 1 1 47 47 ARG HD2 H 1 2.63 . . 1 . . . . . . . . 916 1 178 . 1 1 47 47 ARG HD3 H 1 2.63 . . 1 . . . . . . . . 916 1 179 . 1 1 48 48 GLU H H 1 7.7 . . 1 . . . . . . . . 916 1 180 . 1 1 48 48 GLU HA H 1 4.03 . . 1 . . . . . . . . 916 1 181 . 1 1 48 48 GLU HG2 H 1 2.37 . . 1 . . . . . . . . 916 1 182 . 1 1 48 48 GLU HG3 H 1 2.37 . . 1 . . . . . . . . 916 1 183 . 1 1 50 50 LEU H H 1 8.1 . . 1 . . . . . . . . 916 1 184 . 1 1 50 50 LEU HA H 1 3.63 . . 1 . . . . . . . . 916 1 185 . 1 1 50 50 LEU HG H 1 1.6 . . 1 . . . . . . . . 916 1 186 . 1 1 51 51 GLY H H 1 8.13 . . 1 . . . . . . . . 916 1 187 . 1 1 52 52 THR H H 1 8.03 . . 1 . . . . . . . . 916 1 188 . 1 1 52 52 THR HA H 1 3.97 . . 1 . . . . . . . . 916 1 189 . 1 1 52 52 THR HB H 1 4.32 . . 1 . . . . . . . . 916 1 190 . 1 1 52 52 THR HG21 H 1 1.25 . . 1 . . . . . . . . 916 1 191 . 1 1 52 52 THR HG22 H 1 1.25 . . 1 . . . . . . . . 916 1 192 . 1 1 52 52 THR HG23 H 1 1.25 . . 1 . . . . . . . . 916 1 193 . 1 1 53 53 ARG H H 1 8.63 . . 1 . . . . . . . . 916 1 194 . 1 1 53 53 ARG HA H 1 3.71 . . 1 . . . . . . . . 916 1 195 . 1 1 53 53 ARG HG2 H 1 1.98 . . 1 . . . . . . . . 916 1 196 . 1 1 53 53 ARG HG3 H 1 1.98 . . 1 . . . . . . . . 916 1 197 . 1 1 53 53 ARG HD2 H 1 3.56 . . 1 . . . . . . . . 916 1 198 . 1 1 53 53 ARG HD3 H 1 3.56 . . 1 . . . . . . . . 916 1 199 . 1 1 54 54 VAL H H 1 7.78 . . 1 . . . . . . . . 916 1 200 . 1 1 54 54 VAL HA H 1 3.56 . . 1 . . . . . . . . 916 1 201 . 1 1 54 54 VAL HB H 1 2.48 . . 1 . . . . . . . . 916 1 202 . 1 1 55 55 ARG H H 1 7.08 . . 1 . . . . . . . . 916 1 203 . 1 1 55 55 ARG HA H 1 4.3 . . 1 . . . . . . . . 916 1 204 . 1 1 55 55 ARG HG2 H 1 1.81 . . 1 . . . . . . . . 916 1 205 . 1 1 55 55 ARG HG3 H 1 1.81 . . 1 . . . . . . . . 916 1 206 . 1 1 56 56 ILE H H 1 8.35 . . 1 . . . . . . . . 916 1 207 . 1 1 56 56 ILE HA H 1 3.56 . . 1 . . . . . . . . 916 1 208 . 1 1 56 56 ILE HB H 1 2.32 . . 1 . . . . . . . . 916 1 209 . 1 1 56 56 ILE HG21 H 1 1.09 . . 1 . . . . . . . . 916 1 210 . 1 1 56 56 ILE HG22 H 1 1.09 . . 1 . . . . . . . . 916 1 211 . 1 1 56 56 ILE HG23 H 1 1.09 . . 1 . . . . . . . . 916 1 212 . 1 1 56 56 ILE HD11 H 1 .92 . . 1 . . . . . . . . 916 1 213 . 1 1 56 56 ILE HD12 H 1 .92 . . 1 . . . . . . . . 916 1 214 . 1 1 56 56 ILE HD13 H 1 .92 . . 1 . . . . . . . . 916 1 215 . 1 1 57 57 VAL H H 1 8.46 . . 1 . . . . . . . . 916 1 216 . 1 1 57 57 VAL HA H 1 3.57 . . 1 . . . . . . . . 916 1 217 . 1 1 57 57 VAL HB H 1 2.35 . . 1 . . . . . . . . 916 1 218 . 1 1 58 58 GLU H H 1 8.65 . . 1 . . . . . . . . 916 1 219 . 1 1 58 58 GLU HA H 1 3.7 . . 1 . . . . . . . . 916 1 220 . 1 1 58 58 GLU HG2 H 1 2.39 . . 1 . . . . . . . . 916 1 221 . 1 1 58 58 GLU HG3 H 1 2.39 . . 1 . . . . . . . . 916 1 222 . 1 1 59 59 GLU H H 1 8.25 . . 1 . . . . . . . . 916 1 223 . 1 1 59 59 GLU HA H 1 4.51 . . 1 . . . . . . . . 916 1 224 . 1 1 60 60 LEU H H 1 9 . . 1 . . . . . . . . 916 1 225 . 1 1 60 60 LEU HA H 1 4.2 . . 1 . . . . . . . . 916 1 226 . 1 1 60 60 LEU HB2 H 1 1.98 . . 1 . . . . . . . . 916 1 227 . 1 1 60 60 LEU HB3 H 1 1.98 . . 1 . . . . . . . . 916 1 228 . 1 1 60 60 LEU HG H 1 1.33 . . 1 . . . . . . . . 916 1 229 . 1 1 61 61 LEU H H 1 8.28 . . 1 . . . . . . . . 916 1 230 . 1 1 62 62 ARG H H 1 8.24 . . 1 . . . . . . . . 916 1 231 . 1 1 62 62 ARG HA H 1 3.95 . . 1 . . . . . . . . 916 1 232 . 1 1 62 62 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 916 1 233 . 1 1 62 62 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 916 1 234 . 1 1 62 62 ARG HD2 H 1 3.36 . . 1 . . . . . . . . 916 1 235 . 1 1 62 62 ARG HD3 H 1 3.36 . . 1 . . . . . . . . 916 1 236 . 1 1 63 63 GLY H H 1 7.63 . . 1 . . . . . . . . 916 1 237 . 1 1 63 63 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 916 1 238 . 1 1 63 63 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 916 1 239 . 1 1 64 64 GLU H H 1 7.82 . . 1 . . . . . . . . 916 1 240 . 1 1 64 64 GLU HA H 1 4.32 . . 1 . . . . . . . . 916 1 241 . 1 1 64 64 GLU HB2 H 1 1.87 . . 1 . . . . . . . . 916 1 242 . 1 1 64 64 GLU HB3 H 1 1.87 . . 1 . . . . . . . . 916 1 243 . 1 1 65 65 MET H H 1 8.6 . . 1 . . . . . . . . 916 1 244 . 1 1 66 66 SER H H 1 8.76 . . 1 . . . . . . . . 916 1 245 . 1 1 66 66 SER HA H 1 4.51 . . 1 . . . . . . . . 916 1 246 . 1 1 67 67 GLN H H 1 8.37 . . 1 . . . . . . . . 916 1 247 . 1 1 67 67 GLN HA H 1 4.13 . . 1 . . . . . . . . 916 1 248 . 1 1 67 67 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 916 1 249 . 1 1 67 67 GLN HG3 H 1 2.37 . . 1 . . . . . . . . 916 1 250 . 1 1 68 68 ARG H H 1 7.65 . . 1 . . . . . . . . 916 1 251 . 1 1 68 68 ARG HA H 1 4 . . 1 . . . . . . . . 916 1 252 . 1 1 68 68 ARG HD2 H 1 3.24 . . 1 . . . . . . . . 916 1 253 . 1 1 68 68 ARG HD3 H 1 3.24 . . 1 . . . . . . . . 916 1 254 . 1 1 69 69 GLU H H 1 8.13 . . 1 . . . . . . . . 916 1 255 . 1 1 69 69 GLU HA H 1 3.92 . . 1 . . . . . . . . 916 1 256 . 1 1 69 69 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 916 1 257 . 1 1 69 69 GLU HB3 H 1 2.15 . . 1 . . . . . . . . 916 1 258 . 1 1 71 71 LYS H H 1 7.94 . . 1 . . . . . . . . 916 1 259 . 1 1 71 71 LYS HA H 1 4.21 . . 1 . . . . . . . . 916 1 260 . 1 1 71 71 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 916 1 261 . 1 1 71 71 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 916 1 262 . 1 1 71 71 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 916 1 263 . 1 1 71 71 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 916 1 264 . 1 1 71 71 LYS HE2 H 1 3.04 . . 1 . . . . . . . . 916 1 265 . 1 1 71 71 LYS HE3 H 1 3.04 . . 1 . . . . . . . . 916 1 266 . 1 1 72 72 ASN H H 1 7.83 . . 1 . . . . . . . . 916 1 267 . 1 1 72 72 ASN HA H 1 4.51 . . 1 . . . . . . . . 916 1 268 . 1 1 72 72 ASN HB2 H 1 2.9 . . 1 . . . . . . . . 916 1 269 . 1 1 72 72 ASN HB3 H 1 2.9 . . 1 . . . . . . . . 916 1 270 . 1 1 73 73 GLU H H 1 8.54 . . 1 . . . . . . . . 916 1 271 . 1 1 73 73 GLU HA H 1 4.25 . . 1 . . . . . . . . 916 1 272 . 1 1 73 73 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 916 1 273 . 1 1 73 73 GLU HG3 H 1 2.32 . . 1 . . . . . . . . 916 1 274 . 1 1 74 74 LEU H H 1 7.99 . . 1 . . . . . . . . 916 1 275 . 1 1 75 75 GLY H H 1 7.87 . . 1 . . . . . . . . 916 1 276 . 1 1 76 76 ALA H H 1 7.01 . . 1 . . . . . . . . 916 1 277 . 1 1 76 76 ALA HA H 1 4.59 . . 1 . . . . . . . . 916 1 278 . 1 1 76 76 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 916 1 279 . 1 1 76 76 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 916 1 280 . 1 1 76 76 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 916 1 281 . 1 1 77 77 GLY H H 1 8.29 . . 1 . . . . . . . . 916 1 282 . 1 1 78 78 ILE H H 1 8.29 . . 1 . . . . . . . . 916 1 283 . 1 1 78 78 ILE HA H 1 3.86 . . 1 . . . . . . . . 916 1 284 . 1 1 78 78 ILE HB H 1 1.98 . . 1 . . . . . . . . 916 1 285 . 1 1 78 78 ILE HG21 H 1 .87 . . 1 . . . . . . . . 916 1 286 . 1 1 78 78 ILE HG22 H 1 .87 . . 1 . . . . . . . . 916 1 287 . 1 1 78 78 ILE HG23 H 1 .87 . . 1 . . . . . . . . 916 1 288 . 1 1 78 78 ILE HD11 H 1 .82 . . 1 . . . . . . . . 916 1 289 . 1 1 78 78 ILE HD12 H 1 .82 . . 1 . . . . . . . . 916 1 290 . 1 1 78 78 ILE HD13 H 1 .82 . . 1 . . . . . . . . 916 1 291 . 1 1 79 79 ALA H H 1 8.08 . . 1 . . . . . . . . 916 1 292 . 1 1 79 79 ALA HA H 1 4.25 . . 1 . . . . . . . . 916 1 293 . 1 1 79 79 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 916 1 294 . 1 1 79 79 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 916 1 295 . 1 1 79 79 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 916 1 296 . 1 1 80 80 THR H H 1 7.58 . . 1 . . . . . . . . 916 1 297 . 1 1 80 80 THR HA H 1 4.24 . . 1 . . . . . . . . 916 1 298 . 1 1 80 80 THR HB H 1 4.43 . . 1 . . . . . . . . 916 1 299 . 1 1 80 80 THR HG21 H 1 1.55 . . 1 . . . . . . . . 916 1 300 . 1 1 80 80 THR HG22 H 1 1.55 . . 1 . . . . . . . . 916 1 301 . 1 1 80 80 THR HG23 H 1 1.55 . . 1 . . . . . . . . 916 1 302 . 1 1 81 81 ILE H H 1 7.9 . . 1 . . . . . . . . 916 1 303 . 1 1 81 81 ILE HA H 1 3.6 . . 1 . . . . . . . . 916 1 304 . 1 1 81 81 ILE HB H 1 1.93 . . 1 . . . . . . . . 916 1 305 . 1 1 81 81 ILE HG21 H 1 .91 . . 1 . . . . . . . . 916 1 306 . 1 1 81 81 ILE HG22 H 1 .91 . . 1 . . . . . . . . 916 1 307 . 1 1 81 81 ILE HG23 H 1 .91 . . 1 . . . . . . . . 916 1 308 . 1 1 81 81 ILE HD11 H 1 .76 . . 1 . . . . . . . . 916 1 309 . 1 1 81 81 ILE HD12 H 1 .76 . . 1 . . . . . . . . 916 1 310 . 1 1 81 81 ILE HD13 H 1 .76 . . 1 . . . . . . . . 916 1 311 . 1 1 82 82 THR H H 1 8.5 . . 1 . . . . . . . . 916 1 312 . 1 1 82 82 THR HA H 1 4.18 . . 1 . . . . . . . . 916 1 313 . 1 1 82 82 THR HB H 1 4.39 . . 1 . . . . . . . . 916 1 314 . 1 1 82 82 THR HG21 H 1 1.2 . . 1 . . . . . . . . 916 1 315 . 1 1 82 82 THR HG22 H 1 1.2 . . 1 . . . . . . . . 916 1 316 . 1 1 82 82 THR HG23 H 1 1.2 . . 1 . . . . . . . . 916 1 317 . 1 1 83 83 ARG H H 1 7.68 . . 1 . . . . . . . . 916 1 318 . 1 1 83 83 ARG HA H 1 3.88 . . 1 . . . . . . . . 916 1 319 . 1 1 83 83 ARG HG2 H 1 1.34 . . 1 . . . . . . . . 916 1 320 . 1 1 83 83 ARG HG3 H 1 1.34 . . 1 . . . . . . . . 916 1 321 . 1 1 83 83 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 916 1 322 . 1 1 83 83 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 916 1 323 . 1 1 84 84 GLY H H 1 7.61 . . 1 . . . . . . . . 916 1 324 . 1 1 84 84 GLY HA2 H 1 2.81 . . 1 . . . . . . . . 916 1 325 . 1 1 84 84 GLY HA3 H 1 2.81 . . 1 . . . . . . . . 916 1 326 . 1 1 85 85 SER H H 1 8.24 . . 1 . . . . . . . . 916 1 327 . 1 1 86 86 ASN H H 1 8.4 . . 1 . . . . . . . . 916 1 328 . 1 1 86 86 ASN HA H 1 4.36 . . 1 . . . . . . . . 916 1 329 . 1 1 87 87 SER H H 1 8.06 . . 1 . . . . . . . . 916 1 330 . 1 1 87 87 SER HA H 1 4.38 . . 1 . . . . . . . . 916 1 331 . 1 1 88 88 LEU H H 1 8.3 . . 1 . . . . . . . . 916 1 332 . 1 1 88 88 LEU HA H 1 4.03 . . 1 . . . . . . . . 916 1 333 . 1 1 88 88 LEU HG H 1 1.65 . . 1 . . . . . . . . 916 1 334 . 1 1 88 88 LEU HD11 H 1 .93 . . 1 . . . . . . . . 916 1 335 . 1 1 88 88 LEU HD12 H 1 .93 . . 1 . . . . . . . . 916 1 336 . 1 1 88 88 LEU HD13 H 1 .93 . . 1 . . . . . . . . 916 1 337 . 1 1 88 88 LEU HD21 H 1 .93 . . 1 . . . . . . . . 916 1 338 . 1 1 88 88 LEU HD22 H 1 .93 . . 1 . . . . . . . . 916 1 339 . 1 1 88 88 LEU HD23 H 1 .93 . . 1 . . . . . . . . 916 1 340 . 1 1 89 89 LYS H H 1 7.74 . . 1 . . . . . . . . 916 1 341 . 1 1 89 89 LYS HA H 1 4 . . 1 . . . . . . . . 916 1 342 . 1 1 89 89 LYS HB2 H 1 1.92 . . 1 . . . . . . . . 916 1 343 . 1 1 89 89 LYS HB3 H 1 1.92 . . 1 . . . . . . . . 916 1 344 . 1 1 89 89 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 916 1 345 . 1 1 89 89 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 916 1 346 . 1 1 90 90 ALA H H 1 7.09 . . 1 . . . . . . . . 916 1 347 . 1 1 90 90 ALA HA H 1 4.37 . . 1 . . . . . . . . 916 1 348 . 1 1 90 90 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 916 1 349 . 1 1 90 90 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 916 1 350 . 1 1 90 90 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 916 1 351 . 1 1 91 91 ALA H H 1 7.31 . . 1 . . . . . . . . 916 1 352 . 1 1 91 91 ALA HA H 1 4.55 . . 1 . . . . . . . . 916 1 353 . 1 1 91 91 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 916 1 354 . 1 1 91 91 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 916 1 355 . 1 1 91 91 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 916 1 356 . 1 1 92 92 PRO HA H 1 4.65 . . 1 . . . . . . . . 916 1 357 . 1 1 92 92 PRO HG2 H 1 2.11 . . 1 . . . . . . . . 916 1 358 . 1 1 92 92 PRO HG3 H 1 2.11 . . 1 . . . . . . . . 916 1 359 . 1 1 92 92 PRO HD2 H 1 3.7 . . 1 . . . . . . . . 916 1 360 . 1 1 92 92 PRO HD3 H 1 3.7 . . 1 . . . . . . . . 916 1 361 . 1 1 93 93 VAL H H 1 8.8 . . 1 . . . . . . . . 916 1 362 . 1 1 93 93 VAL HA H 1 3.72 . . 1 . . . . . . . . 916 1 363 . 1 1 93 93 VAL HB H 1 2.16 . . 1 . . . . . . . . 916 1 364 . 1 1 94 94 GLU H H 1 9.62 . . 1 . . . . . . . . 916 1 365 . 1 1 94 94 GLU HA H 1 4.17 . . 1 . . . . . . . . 916 1 366 . 1 1 94 94 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 916 1 367 . 1 1 94 94 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 916 1 368 . 1 1 95 95 LEU H H 1 7.24 . . 1 . . . . . . . . 916 1 369 . 1 1 96 96 ARG H H 1 7.89 . . 1 . . . . . . . . 916 1 370 . 1 1 96 96 ARG HA H 1 3.8 . . 1 . . . . . . . . 916 1 371 . 1 1 97 97 GLN H H 1 8.7 . . 1 . . . . . . . . 916 1 372 . 1 1 97 97 GLN HA H 1 4.1 . . 1 . . . . . . . . 916 1 373 . 1 1 97 97 GLN HG2 H 1 2.58 . . 1 . . . . . . . . 916 1 374 . 1 1 97 97 GLN HG3 H 1 2.58 . . 1 . . . . . . . . 916 1 375 . 1 1 98 98 TRP H H 1 7.48 . . 1 . . . . . . . . 916 1 376 . 1 1 98 98 TRP HA H 1 4.36 . . 1 . . . . . . . . 916 1 377 . 1 1 98 98 TRP HD1 H 1 7.23 . . 1 . . . . . . . . 916 1 378 . 1 1 98 98 TRP HE1 H 1 9.65 . . 1 . . . . . . . . 916 1 379 . 1 1 98 98 TRP HE3 H 1 7.41 . . 1 . . . . . . . . 916 1 380 . 1 1 98 98 TRP HZ2 H 1 7.04 . . 1 . . . . . . . . 916 1 381 . 1 1 98 98 TRP HZ3 H 1 6.66 . . 1 . . . . . . . . 916 1 382 . 1 1 98 98 TRP HH2 H 1 7.13 . . 1 . . . . . . . . 916 1 383 . 1 1 99 99 LEU H H 1 8.83 . . 1 . . . . . . . . 916 1 384 . 1 1 99 99 LEU HA H 1 3.52 . . 1 . . . . . . . . 916 1 385 . 1 1 99 99 LEU HG H 1 1.12 . . 1 . . . . . . . . 916 1 386 . 1 1 100 100 GLU H H 1 7.99 . . 1 . . . . . . . . 916 1 387 . 1 1 100 100 GLU HA H 1 3.69 . . 1 . . . . . . . . 916 1 388 . 1 1 101 101 GLU H H 1 7.41 . . 1 . . . . . . . . 916 1 389 . 1 1 101 101 GLU HA H 1 3.94 . . 1 . . . . . . . . 916 1 390 . 1 1 102 102 VAL H H 1 7.93 . . 1 . . . . . . . . 916 1 391 . 1 1 102 102 VAL HA H 1 3.75 . . 1 . . . . . . . . 916 1 392 . 1 1 102 102 VAL HG11 H 1 .31 . . 1 . . . . . . . . 916 1 393 . 1 1 102 102 VAL HG12 H 1 .31 . . 1 . . . . . . . . 916 1 394 . 1 1 102 102 VAL HG13 H 1 .31 . . 1 . . . . . . . . 916 1 395 . 1 1 102 102 VAL HG21 H 1 .31 . . 1 . . . . . . . . 916 1 396 . 1 1 102 102 VAL HG22 H 1 .31 . . 1 . . . . . . . . 916 1 397 . 1 1 102 102 VAL HG23 H 1 .31 . . 1 . . . . . . . . 916 1 398 . 1 1 103 103 LEU H H 1 8.35 . . 1 . . . . . . . . 916 1 399 . 1 1 104 104 LEU H H 1 7.12 . . 1 . . . . . . . . 916 1 400 . 1 1 105 105 LYS H H 1 7.19 . . 1 . . . . . . . . 916 1 401 . 1 1 105 105 LYS HA H 1 4.37 . . 1 . . . . . . . . 916 1 402 . 1 1 105 105 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 916 1 403 . 1 1 105 105 LYS HB3 H 1 1.88 . . 1 . . . . . . . . 916 1 404 . 1 1 105 105 LYS HG2 H 1 1.4 . . 1 . . . . . . . . 916 1 405 . 1 1 105 105 LYS HG3 H 1 1.4 . . 1 . . . . . . . . 916 1 406 . 1 1 105 105 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 916 1 407 . 1 1 105 105 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 916 1 408 . 1 1 105 105 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 916 1 409 . 1 1 105 105 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 916 1 410 . 1 1 107 107 ASP H H 1 7.92 . . 1 . . . . . . . . 916 1 411 . 1 1 107 107 ASP HA H 1 4.42 . . 1 . . . . . . . . 916 1 stop_ save_