data_4012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4012 _Entry.Title ; Structure of the Acid State of E. coli Ribonuclease HI ; _Entry.Type . _Entry.Version_type update _Entry.Submission_date 1996-06-21 _Entry.Accession_date 1996-06-21 _Entry.Last_release_date . _Entry.Original_release_date . _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 Jonathan Dabora . M. . 4012 2 Jeffrey Pelton . G. . 4012 3 Susan Marqusee . . . 4012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 276 4012 '13C chemical shifts' 138 4012 '15N chemical shifts' 138 4012 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 . . 2001-02-16 . reformat BMRB 'Edit deposition to format 2.1 version' 4012 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4012 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8810899 _Citation.Full_citation . _Citation.Title 'Structure of the Acid State of E. coli Ribonuclease H1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 35 _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 11951 _Citation.Page_last 11958 _Citation.Year 1996 _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 Jonathan Dabora . M. . 4012 1 2 Jeffrey Pelton . G. . 4012 1 3 Susan Marqusee . . . 4012 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein folding' 4012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RNase_H1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RNase_H1 _Assembly.Entry_ID 4012 _Assembly.ID 1 _Assembly.Name 'Ribonuclease H1' _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 monomer 4012 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 'RNase H1' 1 $RNase_H1 . . . native . . . . . 4012 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1RDD . Ribonuclease_H . . . . 4012 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ribonuclease H1' system 4012 1 'RNase H1' abbreviation 4012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNase_H1 _Entity.Sf_category entity _Entity.Sf_framecode RNase_H1 _Entity.Entry_ID 4012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ribonuclease H1' _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 ; MLKQVEIFTDGSALGNPGPG GYGAILRYRGREKTFSAGYT RTTNNRMELMAAIVALEALK EHAEVILSTDSQYVRQGITQ WIHNWKKRGWKTADKKPVKN VDLWQRLDAALGQHQIKWEW VKGHAGHPENERADELARAA AMNPTLEDTGYQVEV ; _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 155 _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 3.1.26.4 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17502 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1657 . "ribonuclease H" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 2 no PDB 1F21 . "Divalent Metal Cofactor Binding In The Kinetic Folding Trajectory Of E. Coli Ribonuclease Hi" . . . . . 100.00 155 100.00 100.00 1.72e-109 . . . . 4012 1 3 no PDB 1G15 . "Co-Crystal Of E. Coli Rnase Hi With Two Mn2+ Ions Bound In The The Active Site" . . . . . 100.00 155 99.35 99.35 1.04e-108 . . . . 4012 1 4 no PDB 1GOA . "Cooperative Stabilization Of Escherichia Coli Ribonuclease Hi By Insertion Of Gly-80b And Gly-77-> Ala Substitution" . . . . . 100.65 156 97.44 97.44 1.63e-106 . . . . 4012 1 5 no PDB 1GOB . "Cooperative Stabilization Of Escherichia Coli Ribonuclease Hi By Insertion Of Gly-80b And Gly-77-> Ala Substitution" . . . . . 100.00 155 97.42 97.42 1.00e-107 . . . . 4012 1 6 no PDB 1JL1 . "D10a E. Coli Ribonuclease Hi" . . . . . 100.00 155 99.35 99.35 2.24e-108 . . . . 4012 1 7 no PDB 1JXB . "I53a, A Point Mutant Of The Cysteine-Free Variant Of E. Coli Rnase Hi" . . . . . 100.00 155 99.35 99.35 1.26e-108 . . . . 4012 1 8 no PDB 1KVA . "E. Coli Ribonuclease Hi D134a Mutant" . . . . . 100.00 155 97.42 97.42 2.92e-107 . . . . 4012 1 9 no PDB 1KVB . "E. Coli Ribonuclease Hi D134h Mutant" . . . . . 100.00 155 97.42 97.42 3.09e-107 . . . . 4012 1 10 no PDB 1KVC . "E. Coli Ribonuclease Hi D134n Mutant" . . . . . 100.00 155 97.42 98.06 1.08e-107 . . . . 4012 1 11 no PDB 1LAV . "Stabilization Of Escherichia Coli Ribonuclease Hi By Cavity- Filling Mutations Within A Hydrophobic Core" . . . . . 100.00 155 97.42 98.06 6.54e-108 . . . . 4012 1 12 no PDB 1LAW . "Stabilization Of Escherichia Coli Ribonuclease Hi By Cavity- Filling Mutations Within A Hydrophobic Core" . . . . . 100.00 155 97.42 98.06 3.87e-108 . . . . 4012 1 13 no PDB 1RBR . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 97.42 97.42 7.01e-107 . . . . 4012 1 14 no PDB 1RBS . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 97.42 97.42 3.48e-107 . . . . 4012 1 15 no PDB 1RBT . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 97.42 97.42 2.27e-107 . . . . 4012 1 16 no PDB 1RBU . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 97.42 97.42 1.12e-107 . . . . 4012 1 17 no PDB 1RBV . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 97.42 97.42 1.15e-107 . . . . 4012 1 18 no PDB 1RCH . "Solution Nmr Structure Of Ribonuclease Hi From Escherichia Coli, 8 Structures" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 19 no PDB 1RDA . "Crystal Structures Of Ribonuclease Hi Active Site Mutants From Escherichia Coli" . . . . . 100.00 155 97.42 98.06 1.08e-107 . . . . 4012 1 20 no PDB 1RDB . "Crystal Structures Of Ribonuclease Hi Active Site Mutants From Escherichia Coli" . . . . . 100.00 155 97.42 98.06 6.26e-108 . . . . 4012 1 21 no PDB 1RDC . "Crystal Structures Of Ribonuclease Hi Active Site Mutants From Escherichia Coli" . . . . . 100.00 155 97.42 98.06 1.08e-107 . . . . 4012 1 22 no PDB 1RDD . "Crystal Structure Of Escherichia Coli Rnase Hi In Complex With Mg2+ At 2.8 Angstroms Resolution: Proof For A Single Mg2+ Site" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 23 no PDB 2RN2 . "Structural Details Of Ribonuclease H From Escherichia Coli As Refined To An Atomic Resolution" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 24 no PDB 3AA2 . "A52i E. Coli Rnase Hi" . . . . . 100.00 155 97.42 97.42 1.30e-107 . . . . 4012 1 25 no PDB 3AA3 . "A52l E. Coli Rnase Hi" . . . . . 100.00 155 97.42 97.42 1.42e-107 . . . . 4012 1 26 no PDB 3AA4 . "A52v E.Coli Rnase Hi" . . . . . 100.00 155 97.42 97.42 9.18e-108 . . . . 4012 1 27 no PDB 3AA5 . "A52f E.Coli Rnase Hi" . . . . . 100.00 155 97.42 97.42 1.62e-107 . . . . 4012 1 28 no PDB 4Z0U . "Rnase Hi/ssb-ct Complex" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 29 no DBJ BAA77885 . "ribonuclease HI, degrades RNA of DNA-RNA hybrids [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 30 no DBJ BAB33633 . "RNase HI [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 31 no DBJ BAG75734 . "ribonuclease H [Escherichia coli SE11]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 32 no DBJ BAI23570 . "ribonuclease HI [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 33 no DBJ BAI29084 . "ribonuclease HI [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 155 97.42 98.06 9.59e-108 . . . . 4012 1 34 no EMBL CAA23620 . "ribonuclease H [Escherichia coli]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 35 no EMBL CAA27660 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 36 no EMBL CAP74778 . "ribonuclease HI [Escherichia coli LF82]" . . . . . 100.00 155 97.42 97.42 2.22e-107 . . . . 4012 1 37 no EMBL CAQ30729 . "RNase HI, degrades RNA of DNA-RNA hybrids, participates in DNA replication [Escherichia coli BL21(DE3)]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 38 no EMBL CAQ87812 . "ribonuclease HI, degrades RNA of DNA-RNA hybrids [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 39 no GB AAA24565 . "ribonuclease H [Escherichia coli]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 40 no GB AAB08636 . "ribonuclease H [Escherichia coli]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 41 no GB AAC73319 . "ribonuclease HI, degrades RNA of DNA-RNA hybrids [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 42 no GB AAG54510 . "RNase HI, degrades RNA of DNA-RNA hybrids, participates in DNA replication [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 43 no GB AAN41862 . "RNase HI [Shigella flexneri 2a str. 301]" . . . . . 100.00 192 98.06 98.06 1.12e-108 . . . . 4012 1 44 no REF NP_308237 . "ribonuclease H [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 45 no REF NP_414750 . "ribonuclease HI, degrades RNA of DNA-RNA hybrids [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 46 no REF NP_706155 . "RNase HI [Shigella flexneri 2a str. 301]" . . . . . 100.00 192 98.06 98.06 1.12e-108 . . . . 4012 1 47 no REF WP_000917867 . "ribonuclease H [Escherichia coli]" . . . . . 100.00 155 97.42 97.42 2.22e-107 . . . . 4012 1 48 no REF WP_000917875 . "hypothetical protein [Escherichia albertii]" . . . . . 100.00 155 97.42 98.06 5.55e-108 . . . . 4012 1 49 no SP A7ZHV1 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 50 no SP A7ZWF6 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 97.42 98.06 9.59e-108 . . . . 4012 1 51 no SP B1IPU4 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 52 no SP B1LHM3 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 53 no SP B1XD78 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 4012 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ribonuclease H1' common 4012 1 'C13A C63A C133A' variant 4012 1 'RNase H1' abbreviation 4012 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4012 1 2 . LEU . 4012 1 3 . LYS . 4012 1 4 . GLN . 4012 1 5 . VAL . 4012 1 6 . GLU . 4012 1 7 . ILE . 4012 1 8 . PHE . 4012 1 9 . THR . 4012 1 10 . ASP . 4012 1 11 . GLY . 4012 1 12 . SER . 4012 1 13 . ALA . 4012 1 14 . LEU . 4012 1 15 . GLY . 4012 1 16 . ASN . 4012 1 17 . PRO . 4012 1 18 . GLY . 4012 1 19 . PRO . 4012 1 20 . GLY . 4012 1 21 . GLY . 4012 1 22 . TYR . 4012 1 23 . GLY . 4012 1 24 . ALA . 4012 1 25 . ILE . 4012 1 26 . LEU . 4012 1 27 . ARG . 4012 1 28 . TYR . 4012 1 29 . ARG . 4012 1 30 . GLY . 4012 1 31 . ARG . 4012 1 32 . GLU . 4012 1 33 . LYS . 4012 1 34 . THR . 4012 1 35 . PHE . 4012 1 36 . SER . 4012 1 37 . ALA . 4012 1 38 . GLY . 4012 1 39 . TYR . 4012 1 40 . THR . 4012 1 41 . ARG . 4012 1 42 . THR . 4012 1 43 . THR . 4012 1 44 . ASN . 4012 1 45 . ASN . 4012 1 46 . ARG . 4012 1 47 . MET . 4012 1 48 . GLU . 4012 1 49 . LEU . 4012 1 50 . MET . 4012 1 51 . ALA . 4012 1 52 . ALA . 4012 1 53 . ILE . 4012 1 54 . VAL . 4012 1 55 . ALA . 4012 1 56 . LEU . 4012 1 57 . GLU . 4012 1 58 . ALA . 4012 1 59 . LEU . 4012 1 60 . LYS . 4012 1 61 . GLU . 4012 1 62 . HIS . 4012 1 63 . ALA . 4012 1 64 . GLU . 4012 1 65 . VAL . 4012 1 66 . ILE . 4012 1 67 . LEU . 4012 1 68 . SER . 4012 1 69 . THR . 4012 1 70 . ASP . 4012 1 71 . SER . 4012 1 72 . GLN . 4012 1 73 . TYR . 4012 1 74 . VAL . 4012 1 75 . ARG . 4012 1 76 . GLN . 4012 1 77 . GLY . 4012 1 78 . ILE . 4012 1 79 . THR . 4012 1 80 . GLN . 4012 1 81 . TRP . 4012 1 82 . ILE . 4012 1 83 . HIS . 4012 1 84 . ASN . 4012 1 85 . TRP . 4012 1 86 . LYS . 4012 1 87 . LYS . 4012 1 88 . ARG . 4012 1 89 . GLY . 4012 1 90 . TRP . 4012 1 91 . LYS . 4012 1 92 . THR . 4012 1 93 . ALA . 4012 1 94 . ASP . 4012 1 95 . LYS . 4012 1 96 . LYS . 4012 1 97 . PRO . 4012 1 98 . VAL . 4012 1 99 . LYS . 4012 1 100 . ASN . 4012 1 101 . VAL . 4012 1 102 . ASP . 4012 1 103 . LEU . 4012 1 104 . TRP . 4012 1 105 . GLN . 4012 1 106 . ARG . 4012 1 107 . LEU . 4012 1 108 . ASP . 4012 1 109 . ALA . 4012 1 110 . ALA . 4012 1 111 . LEU . 4012 1 112 . GLY . 4012 1 113 . GLN . 4012 1 114 . HIS . 4012 1 115 . GLN . 4012 1 116 . ILE . 4012 1 117 . LYS . 4012 1 118 . TRP . 4012 1 119 . GLU . 4012 1 120 . TRP . 4012 1 121 . VAL . 4012 1 122 . LYS . 4012 1 123 . GLY . 4012 1 124 . HIS . 4012 1 125 . ALA . 4012 1 126 . GLY . 4012 1 127 . HIS . 4012 1 128 . PRO . 4012 1 129 . GLU . 4012 1 130 . ASN . 4012 1 131 . GLU . 4012 1 132 . ARG . 4012 1 133 . ALA . 4012 1 134 . ASP . 4012 1 135 . GLU . 4012 1 136 . LEU . 4012 1 137 . ALA . 4012 1 138 . ARG . 4012 1 139 . ALA . 4012 1 140 . ALA . 4012 1 141 . ALA . 4012 1 142 . MET . 4012 1 143 . ASN . 4012 1 144 . PRO . 4012 1 145 . THR . 4012 1 146 . LEU . 4012 1 147 . GLU . 4012 1 148 . ASP . 4012 1 149 . THR . 4012 1 150 . GLY . 4012 1 151 . TYR . 4012 1 152 . GLN . 4012 1 153 . VAL . 4012 1 154 . GLU . 4012 1 155 . VAL . 4012 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4012 1 . LEU 2 2 4012 1 . LYS 3 3 4012 1 . GLN 4 4 4012 1 . VAL 5 5 4012 1 . GLU 6 6 4012 1 . ILE 7 7 4012 1 . PHE 8 8 4012 1 . THR 9 9 4012 1 . ASP 10 10 4012 1 . GLY 11 11 4012 1 . SER 12 12 4012 1 . ALA 13 13 4012 1 . LEU 14 14 4012 1 . GLY 15 15 4012 1 . ASN 16 16 4012 1 . PRO 17 17 4012 1 . GLY 18 18 4012 1 . PRO 19 19 4012 1 . GLY 20 20 4012 1 . GLY 21 21 4012 1 . TYR 22 22 4012 1 . GLY 23 23 4012 1 . ALA 24 24 4012 1 . ILE 25 25 4012 1 . LEU 26 26 4012 1 . ARG 27 27 4012 1 . TYR 28 28 4012 1 . ARG 29 29 4012 1 . GLY 30 30 4012 1 . ARG 31 31 4012 1 . GLU 32 32 4012 1 . LYS 33 33 4012 1 . THR 34 34 4012 1 . PHE 35 35 4012 1 . SER 36 36 4012 1 . ALA 37 37 4012 1 . GLY 38 38 4012 1 . TYR 39 39 4012 1 . THR 40 40 4012 1 . ARG 41 41 4012 1 . THR 42 42 4012 1 . THR 43 43 4012 1 . ASN 44 44 4012 1 . ASN 45 45 4012 1 . ARG 46 46 4012 1 . MET 47 47 4012 1 . GLU 48 48 4012 1 . LEU 49 49 4012 1 . MET 50 50 4012 1 . ALA 51 51 4012 1 . ALA 52 52 4012 1 . ILE 53 53 4012 1 . VAL 54 54 4012 1 . ALA 55 55 4012 1 . LEU 56 56 4012 1 . GLU 57 57 4012 1 . ALA 58 58 4012 1 . LEU 59 59 4012 1 . LYS 60 60 4012 1 . GLU 61 61 4012 1 . HIS 62 62 4012 1 . ALA 63 63 4012 1 . GLU 64 64 4012 1 . VAL 65 65 4012 1 . ILE 66 66 4012 1 . LEU 67 67 4012 1 . SER 68 68 4012 1 . THR 69 69 4012 1 . ASP 70 70 4012 1 . SER 71 71 4012 1 . GLN 72 72 4012 1 . TYR 73 73 4012 1 . VAL 74 74 4012 1 . ARG 75 75 4012 1 . GLN 76 76 4012 1 . GLY 77 77 4012 1 . ILE 78 78 4012 1 . THR 79 79 4012 1 . GLN 80 80 4012 1 . TRP 81 81 4012 1 . ILE 82 82 4012 1 . HIS 83 83 4012 1 . ASN 84 84 4012 1 . TRP 85 85 4012 1 . LYS 86 86 4012 1 . LYS 87 87 4012 1 . ARG 88 88 4012 1 . GLY 89 89 4012 1 . TRP 90 90 4012 1 . LYS 91 91 4012 1 . THR 92 92 4012 1 . ALA 93 93 4012 1 . ASP 94 94 4012 1 . LYS 95 95 4012 1 . LYS 96 96 4012 1 . PRO 97 97 4012 1 . VAL 98 98 4012 1 . LYS 99 99 4012 1 . ASN 100 100 4012 1 . VAL 101 101 4012 1 . ASP 102 102 4012 1 . LEU 103 103 4012 1 . TRP 104 104 4012 1 . GLN 105 105 4012 1 . ARG 106 106 4012 1 . LEU 107 107 4012 1 . ASP 108 108 4012 1 . ALA 109 109 4012 1 . ALA 110 110 4012 1 . LEU 111 111 4012 1 . GLY 112 112 4012 1 . GLN 113 113 4012 1 . HIS 114 114 4012 1 . GLN 115 115 4012 1 . ILE 116 116 4012 1 . LYS 117 117 4012 1 . TRP 118 118 4012 1 . GLU 119 119 4012 1 . TRP 120 120 4012 1 . VAL 121 121 4012 1 . LYS 122 122 4012 1 . GLY 123 123 4012 1 . HIS 124 124 4012 1 . ALA 125 125 4012 1 . GLY 126 126 4012 1 . HIS 127 127 4012 1 . PRO 128 128 4012 1 . GLU 129 129 4012 1 . ASN 130 130 4012 1 . GLU 131 131 4012 1 . ARG 132 132 4012 1 . ALA 133 133 4012 1 . ASP 134 134 4012 1 . GLU 135 135 4012 1 . LEU 136 136 4012 1 . ALA 137 137 4012 1 . ARG 138 138 4012 1 . ALA 139 139 4012 1 . ALA 140 140 4012 1 . ALA 141 141 4012 1 . MET 142 142 4012 1 . ASN 143 143 4012 1 . PRO 144 144 4012 1 . THR 145 145 4012 1 . LEU 146 146 4012 1 . GLU 147 147 4012 1 . ASP 148 148 4012 1 . THR 149 149 4012 1 . GLY 150 150 4012 1 . TYR 151 151 4012 1 . GLN 152 152 4012 1 . VAL 153 153 4012 1 . GLU 154 154 4012 1 . VAL 155 155 4012 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 4012 _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 $RNase_H1 . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4012 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 4012 _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 $RNase_H1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pSM101 . . . synthetic . . 4012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4012 _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 'Ribonuclease H1' '[U-99% 13C; U-99% 15N]' . . 1 $RNase_H1 . . . 1 3 mM . . . . 4012 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4012 _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 5.5 0.1 n/a 4012 1 temperature 298 1.0 K 4012 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4012 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_one 1 $RNase_H1 99 % 'mass spectrometry' . 4012 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 4012 _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_one Bruker AMX . 600 . . . 4012 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 4012 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4012 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H referenced to H2O - 4.77 PPM 25C' 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 1 H2O . . . . . ppm 4.77 internal direct . 'in the sample' cylindrical parallel . . . . . . 4012 1 C 13 TSP . . . . . ppm 0.0 external indirect . 'external to sample' cylindrical parallel . . . . . . 4012 1 N 15 NH3 . . . . . ppm 0.0 external indirect . 'external to sample' cylindrical parallel . . . . . . 4012 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4012 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 . 4012 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 7 7 ILE H H 1 8.4 . . 1 . . . . . . . . 4012 1 2 . 1 1 7 7 ILE N N 15 121.6 . . 1 . . . . . . . . 4012 1 3 . 1 1 7 7 ILE HA H 1 5.3 . . 1 . . . . . . . . 4012 1 4 . 1 1 7 7 ILE CA C 13 59.3 . . 1 . . . . . . . . 4012 1 5 . 1 1 8 8 PHE H H 1 9.11 . . 1 . . . . . . . . 4012 1 6 . 1 1 8 8 PHE N N 15 127.2 . . 1 . . . . . . . . 4012 1 7 . 1 1 8 8 PHE HA H 1 5.77 . . 1 . . . . . . . . 4012 1 8 . 1 1 8 8 PHE CA C 13 55.5 . . 1 . . . . . . . . 4012 1 9 . 1 1 9 9 THR H H 1 8.24 . . 1 . . . . . . . . 4012 1 10 . 1 1 9 9 THR N N 15 110.1 . . 1 . . . . . . . . 4012 1 11 . 1 1 9 9 THR HA H 1 5.61 . . 1 . . . . . . . . 4012 1 12 . 1 1 9 9 THR CA C 13 60.4 . . 1 . . . . . . . . 4012 1 13 . 1 1 11 11 GLY H H 1 8.71 . . 1 . . . . . . . . 4012 1 14 . 1 1 11 11 GLY N N 15 106.7 . . 1 . . . . . . . . 4012 1 15 . 1 1 11 11 GLY CA C 13 44.7 . . 1 . . . . . . . . 4012 1 16 . 1 1 12 12 SER H H 1 8.7 . . 1 . . . . . . . . 4012 1 17 . 1 1 12 12 SER N N 15 112.6 . . 1 . . . . . . . . 4012 1 18 . 1 1 12 12 SER HA H 1 3.7 . . 1 . . . . . . . . 4012 1 19 . 1 1 12 12 SER CA C 13 57.7 . . 1 . . . . . . . . 4012 1 20 . 1 1 13 13 ALA H H 1 8.36 . . 1 . . . . . . . . 4012 1 21 . 1 1 13 13 ALA N N 15 121.9 . . 1 . . . . . . . . 4012 1 22 . 1 1 13 13 ALA HA H 1 5.15 . . 1 . . . . . . . . 4012 1 23 . 1 1 13 13 ALA CA C 13 51.4 . . 1 . . . . . . . . 4012 1 24 . 1 1 14 14 LEU H H 1 9.09 . . 1 . . . . . . . . 4012 1 25 . 1 1 14 14 LEU N N 15 120.4 . . 1 . . . . . . . . 4012 1 26 . 1 1 14 14 LEU HA H 1 4.4 . . 1 . . . . . . . . 4012 1 27 . 1 1 14 14 LEU CA C 13 54.2 . . 1 . . . . . . . . 4012 1 28 . 1 1 15 15 GLY H H 1 7.29 . . 1 . . . . . . . . 4012 1 29 . 1 1 15 15 GLY N N 15 104.8 . . 1 . . . . . . . . 4012 1 30 . 1 1 15 15 GLY HA2 H 1 4.00 . . 1 . . . . . . . . 4012 1 31 . 1 1 15 15 GLY HA3 H 1 3.8 . . 1 . . . . . . . . 4012 1 32 . 1 1 15 15 GLY CA C 13 43.9 . . 1 . . . . . . . . 4012 1 33 . 1 1 16 16 ASN H H 1 8.46 . . 1 . . . . . . . . 4012 1 34 . 1 1 16 16 ASN N N 15 116.2 . . 1 . . . . . . . . 4012 1 35 . 1 1 16 16 ASN HA H 1 5.18 . . 1 . . . . . . . . 4012 1 36 . 1 1 16 16 ASN CA C 13 50.3 . . 1 . . . . . . . . 4012 1 37 . 1 1 18 18 GLY H H 1 8.62 . . 1 . . . . . . . . 4012 1 38 . 1 1 18 18 GLY N N 15 105.5 . . 1 . . . . . . . . 4012 1 39 . 1 1 18 18 GLY HA2 H 1 4.3 . . 1 . . . . . . . . 4012 1 40 . 1 1 18 18 GLY HA3 H 1 3.77 . . 1 . . . . . . . . 4012 1 41 . 1 1 18 18 GLY CA C 13 44.9 . . 1 . . . . . . . . 4012 1 42 . 1 1 20 20 GLY H H 1 8.94 . . 1 . . . . . . . . 4012 1 43 . 1 1 20 20 GLY N N 15 107.2 . . 1 . . . . . . . . 4012 1 44 . 1 1 20 20 GLY HA2 H 1 4.98 . . 1 . . . . . . . . 4012 1 45 . 1 1 20 20 GLY HA3 H 1 3.72 . . 1 . . . . . . . . 4012 1 46 . 1 1 20 20 GLY CA C 13 45.00 . . 1 . . . . . . . . 4012 1 47 . 1 1 21 21 GLY H H 1 9.17 . . 1 . . . . . . . . 4012 1 48 . 1 1 21 21 GLY N N 15 106.4 . . 1 . . . . . . . . 4012 1 49 . 1 1 21 21 GLY HA2 H 1 5.36 . . 1 . . . . . . . . 4012 1 50 . 1 1 21 21 GLY HA3 H 1 4.22 . . 1 . . . . . . . . 4012 1 51 . 1 1 21 21 GLY CA C 13 46.4 . . 1 . . . . . . . . 4012 1 52 . 1 1 22 22 TYR H H 1 7.86 . . 1 . . . . . . . . 4012 1 53 . 1 1 22 22 TYR N N 15 113.3 . . 1 . . . . . . . . 4012 1 54 . 1 1 22 22 TYR HA H 1 5.72 . . 1 . . . . . . . . 4012 1 55 . 1 1 22 22 TYR CA C 13 54.9 . . 1 . . . . . . . . 4012 1 56 . 1 1 23 23 GLY H H 1 9.11 . . 1 . . . . . . . . 4012 1 57 . 1 1 23 23 GLY N N 15 106.3 . . 1 . . . . . . . . 4012 1 58 . 1 1 23 23 GLY HA2 H 1 5.1 . . 1 . . . . . . . . 4012 1 59 . 1 1 23 23 GLY HA3 H 1 4.05 . . 1 . . . . . . . . 4012 1 60 . 1 1 23 23 GLY CA C 13 44.9 . . 1 . . . . . . . . 4012 1 61 . 1 1 24 24 ALA H H 1 9.4 . . 1 . . . . . . . . 4012 1 62 . 1 1 24 24 ALA N N 15 124.5 . . 1 . . . . . . . . 4012 1 63 . 1 1 24 24 ALA HA H 1 5.67 . . 1 . . . . . . . . 4012 1 64 . 1 1 24 24 ALA CA C 13 50.7 . . 1 . . . . . . . . 4012 1 65 . 1 1 25 25 ILE H H 1 9.1 . . 1 . . . . . . . . 4012 1 66 . 1 1 25 25 ILE N N 15 121.3 . . 1 . . . . . . . . 4012 1 67 . 1 1 25 25 ILE HA H 1 4.72 . . 1 . . . . . . . . 4012 1 68 . 1 1 25 25 ILE CA C 13 60.1 . . 1 . . . . . . . . 4012 1 69 . 1 1 26 26 LEU H H 1 9.25 . . 1 . . . . . . . . 4012 1 70 . 1 1 26 26 LEU N N 15 129.5 . . 1 . . . . . . . . 4012 1 71 . 1 1 26 26 LEU HA H 1 5.38 . . 1 . . . . . . . . 4012 1 72 . 1 1 26 26 LEU CA C 13 54.4 . . 1 . . . . . . . . 4012 1 73 . 1 1 27 27 ARG H H 1 9.99 . . 1 . . . . . . . . 4012 1 74 . 1 1 27 27 ARG N N 15 126.8 . . 1 . . . . . . . . 4012 1 75 . 1 1 27 27 ARG HA H 1 5.45 . . 1 . . . . . . . . 4012 1 76 . 1 1 27 27 ARG CA C 13 54.8 . . 1 . . . . . . . . 4012 1 77 . 1 1 28 28 TYR H H 1 8.52 . . 1 . . . . . . . . 4012 1 78 . 1 1 28 28 TYR N N 15 123.6 . . 1 . . . . . . . . 4012 1 79 . 1 1 28 28 TYR HA H 1 4.93 . . 1 . . . . . . . . 4012 1 80 . 1 1 28 28 TYR CA C 13 56.8 . . 1 . . . . . . . . 4012 1 81 . 1 1 29 29 ARG H H 1 9.43 . . 1 . . . . . . . . 4012 1 82 . 1 1 29 29 ARG N N 15 125.9 . . 1 . . . . . . . . 4012 1 83 . 1 1 29 29 ARG HA H 1 3.72 . . 1 . . . . . . . . 4012 1 84 . 1 1 29 29 ARG CA C 13 56.9 . . 1 . . . . . . . . 4012 1 85 . 1 1 30 30 GLY H H 1 8.82 . . 1 . . . . . . . . 4012 1 86 . 1 1 30 30 GLY N N 15 104.5 . . 1 . . . . . . . . 4012 1 87 . 1 1 30 30 GLY HA2 H 1 4.09 . . 1 . . . . . . . . 4012 1 88 . 1 1 30 30 GLY HA3 H 1 3.56 . . 1 . . . . . . . . 4012 1 89 . 1 1 30 30 GLY CA C 13 45.3 . . 1 . . . . . . . . 4012 1 90 . 1 1 31 31 ARG H H 1 7.86 . . 5 . . . . . . . . 4012 1 91 . 1 1 31 31 ARG N N 15 120.6 . . 5 . . . . . . . . 4012 1 92 . 1 1 31 31 ARG HA H 1 4.66 . . 1 . . . . . . . . 4012 1 93 . 1 1 31 31 ARG CA C 13 54.5 . . 1 . . . . . . . . 4012 1 94 . 1 1 32 32 GLU H H 1 8.72 . . 1 . . . . . . . . 4012 1 95 . 1 1 32 32 GLU N N 15 122.3 . . 1 . . . . . . . . 4012 1 96 . 1 1 32 32 GLU HA H 1 5.45 . . 1 . . . . . . . . 4012 1 97 . 1 1 32 32 GLU CA C 13 54.6 . . 1 . . . . . . . . 4012 1 98 . 1 1 33 33 LYS H H 1 9.28 . . 1 . . . . . . . . 4012 1 99 . 1 1 33 33 LYS N N 15 124.8 . . 1 . . . . . . . . 4012 1 100 . 1 1 33 33 LYS HA H 1 4.61 . . 1 . . . . . . . . 4012 1 101 . 1 1 33 33 LYS CA C 13 54.8 . . 1 . . . . . . . . 4012 1 102 . 1 1 34 34 THR H H 1 8.07 . . 1 . . . . . . . . 4012 1 103 . 1 1 34 34 THR N N 15 112.5 . . 1 . . . . . . . . 4012 1 104 . 1 1 34 34 THR HA H 1 5.35 . . 1 . . . . . . . . 4012 1 105 . 1 1 34 34 THR CA C 13 59.5 . . 1 . . . . . . . . 4012 1 106 . 1 1 35 35 PHE H H 1 9.17 . . 1 . . . . . . . . 4012 1 107 . 1 1 35 35 PHE N N 15 119.3 . . 1 . . . . . . . . 4012 1 108 . 1 1 35 35 PHE HA H 1 4.98 . . 1 . . . . . . . . 4012 1 109 . 1 1 35 35 PHE CA C 13 56.3 . . 1 . . . . . . . . 4012 1 110 . 1 1 36 36 SER H H 1 8.38 . . 1 . . . . . . . . 4012 1 111 . 1 1 36 36 SER N N 15 113.8 . . 1 . . . . . . . . 4012 1 112 . 1 1 36 36 SER HA H 1 4.56 . . 1 . . . . . . . . 4012 1 113 . 1 1 36 36 SER CA C 13 57.9 . . 1 . . . . . . . . 4012 1 114 . 1 1 37 37 ALA H H 1 6.36 . . 1 . . . . . . . . 4012 1 115 . 1 1 37 37 ALA N N 15 120.3 . . 1 . . . . . . . . 4012 1 116 . 1 1 37 37 ALA HA H 1 4.19 . . 1 . . . . . . . . 4012 1 117 . 1 1 37 37 ALA CA C 13 52.00 . . 1 . . . . . . . . 4012 1 118 . 1 1 38 38 GLY H H 1 8.59 . . 1 . . . . . . . . 4012 1 119 . 1 1 38 38 GLY N N 15 106.1 . . 1 . . . . . . . . 4012 1 120 . 1 1 38 38 GLY HA2 H 1 5.35 . . 1 . . . . . . . . 4012 1 121 . 1 1 38 38 GLY HA3 H 1 3.48 . . 1 . . . . . . . . 4012 1 122 . 1 1 38 38 GLY CA C 13 44.1 . . 1 . . . . . . . . 4012 1 123 . 1 1 39 39 TYR H H 1 9.69 . . 1 . . . . . . . . 4012 1 124 . 1 1 39 39 TYR N N 15 122.8 . . 1 . . . . . . . . 4012 1 125 . 1 1 39 39 TYR HA H 1 5.45 . . 1 . . . . . . . . 4012 1 126 . 1 1 39 39 TYR CA C 13 55.7 . . 1 . . . . . . . . 4012 1 127 . 1 1 40 40 THR H H 1 8.77 . . 1 . . . . . . . . 4012 1 128 . 1 1 40 40 THR N N 15 112.7 . . 1 . . . . . . . . 4012 1 129 . 1 1 40 40 THR HA H 1 3.7 . . 1 . . . . . . . . 4012 1 130 . 1 1 40 40 THR CA C 13 65.2 . . 1 . . . . . . . . 4012 1 131 . 1 1 41 41 ARG H H 1 7.77 . . 1 . . . . . . . . 4012 1 132 . 1 1 41 41 ARG N N 15 120.00 . . 1 . . . . . . . . 4012 1 133 . 1 1 41 41 ARG HA H 1 3.87 . . 1 . . . . . . . . 4012 1 134 . 1 1 41 41 ARG CA C 13 56.7 . . 1 . . . . . . . . 4012 1 135 . 1 1 42 42 THR H H 1 9.12 . . 1 . . . . . . . . 4012 1 136 . 1 1 42 42 THR N N 15 124.1 . . 1 . . . . . . . . 4012 1 137 . 1 1 42 42 THR HA H 1 4.09 . . 1 . . . . . . . . 4012 1 138 . 1 1 42 42 THR CA C 13 60.00 . . 1 . . . . . . . . 4012 1 139 . 1 1 44 44 ASN H H 1 9.4 . . 1 . . . . . . . . 4012 1 140 . 1 1 44 44 ASN N N 15 121.2 . . 1 . . . . . . . . 4012 1 141 . 1 1 44 44 ASN HA H 1 3.8 . . 1 . . . . . . . . 4012 1 142 . 1 1 44 44 ASN CA C 13 57.5 . . 1 . . . . . . . . 4012 1 143 . 1 1 45 45 ASN H H 1 8.53 . . 1 . . . . . . . . 4012 1 144 . 1 1 45 45 ASN N N 15 115.8 . . 1 . . . . . . . . 4012 1 145 . 1 1 45 45 ASN CA C 13 55.6 . . 1 . . . . . . . . 4012 1 146 . 1 1 46 46 ARG H H 1 7.36 . . 1 . . . . . . . . 4012 1 147 . 1 1 46 46 ARG N N 15 116.3 . . 1 . . . . . . . . 4012 1 148 . 1 1 46 46 ARG CA C 13 60.7 . . 1 . . . . . . . . 4012 1 149 . 1 1 47 47 MET H H 1 7.64 . . 1 . . . . . . . . 4012 1 150 . 1 1 47 47 MET N N 15 117.7 . . 1 . . . . . . . . 4012 1 151 . 1 1 47 47 MET HA H 1 4.4 . . 1 . . . . . . . . 4012 1 152 . 1 1 47 47 MET CA C 13 57.2 . . 1 . . . . . . . . 4012 1 153 . 1 1 48 48 GLU H H 1 8.45 . . 1 . . . . . . . . 4012 1 154 . 1 1 48 48 GLU N N 15 119.8 . . 1 . . . . . . . . 4012 1 155 . 1 1 48 48 GLU HA H 1 3.78 . . 1 . . . . . . . . 4012 1 156 . 1 1 48 48 GLU CA C 13 59.7 . . 1 . . . . . . . . 4012 1 157 . 1 1 49 49 LEU H H 1 7.21 . . 5 . . . . . . . . 4012 1 158 . 1 1 49 49 LEU N N 15 116.2 . . 5 . . . . . . . . 4012 1 159 . 1 1 49 49 LEU HA H 1 3.93 . . 1 . . . . . . . . 4012 1 160 . 1 1 49 49 LEU CA C 13 57.1 . . 1 . . . . . . . . 4012 1 161 . 1 1 50 50 MET H H 1 8.66 . . 5 . . . . . . . . 4012 1 162 . 1 1 50 50 MET N N 15 118.6 . . 5 . . . . . . . . 4012 1 163 . 1 1 50 50 MET CA C 13 57.3 . . 1 . . . . . . . . 4012 1 164 . 1 1 51 51 ALA H H 1 7.78 . . 1 . . . . . . . . 4012 1 165 . 1 1 51 51 ALA N N 15 116.9 . . 1 . . . . . . . . 4012 1 166 . 1 1 51 51 ALA HA H 1 3.35 . . 1 . . . . . . . . 4012 1 167 . 1 1 51 51 ALA CA C 13 55.2 . . 1 . . . . . . . . 4012 1 168 . 1 1 52 52 ALA H H 1 6.46 . . 1 . . . . . . . . 4012 1 169 . 1 1 52 52 ALA N N 15 113.7 . . 1 . . . . . . . . 4012 1 170 . 1 1 52 52 ALA HA H 1 3.98 . . 1 . . . . . . . . 4012 1 171 . 1 1 52 52 ALA CA C 13 54.7 . . 1 . . . . . . . . 4012 1 172 . 1 1 53 53 ILE H H 1 7.86 . . 5 . . . . . . . . 4012 1 173 . 1 1 53 53 ILE N N 15 116.1 . . 5 . . . . . . . . 4012 1 174 . 1 1 53 53 ILE HA H 1 3.1 . . 1 . . . . . . . . 4012 1 175 . 1 1 53 53 ILE CA C 13 66.00 . . 1 . . . . . . . . 4012 1 176 . 1 1 54 54 VAL H H 1 8.25 . . 1 . . . . . . . . 4012 1 177 . 1 1 54 54 VAL N N 15 116.5 . . 1 . . . . . . . . 4012 1 178 . 1 1 54 54 VAL HA H 1 3.2 . . 1 . . . . . . . . 4012 1 179 . 1 1 54 54 VAL CA C 13 65.9 . . 1 . . . . . . . . 4012 1 180 . 1 1 55 55 ALA H H 1 6.86 . . 1 . . . . . . . . 4012 1 181 . 1 1 55 55 ALA N N 15 119.00 . . 1 . . . . . . . . 4012 1 182 . 1 1 55 55 ALA HA H 1 3.3 . . 1 . . . . . . . . 4012 1 183 . 1 1 55 55 ALA CA C 13 54.4 . . 1 . . . . . . . . 4012 1 184 . 1 1 56 56 LEU H H 1 7.45 . . 1 . . . . . . . . 4012 1 185 . 1 1 56 56 LEU N N 15 112.5 . . 1 . . . . . . . . 4012 1 186 . 1 1 56 56 LEU HA H 1 3.7 . . 1 . . . . . . . . 4012 1 187 . 1 1 56 56 LEU CA C 13 57.00 . . 1 . . . . . . . . 4012 1 188 . 1 1 57 57 GLU H H 1 8.71 . . 1 . . . . . . . . 4012 1 189 . 1 1 57 57 GLU N N 15 118.1 . . 1 . . . . . . . . 4012 1 190 . 1 1 57 57 GLU HA H 1 3.87 . . 1 . . . . . . . . 4012 1 191 . 1 1 57 57 GLU CA C 13 58.2 . . 1 . . . . . . . . 4012 1 192 . 1 1 58 58 ALA H H 1 7.07 . . 1 . . . . . . . . 4012 1 193 . 1 1 58 58 ALA N N 15 119.3 . . 1 . . . . . . . . 4012 1 194 . 1 1 58 58 ALA HA H 1 4.03 . . 1 . . . . . . . . 4012 1 195 . 1 1 58 58 ALA CA C 13 52.8 . . 1 . . . . . . . . 4012 1 196 . 1 1 59 59 LEU H H 1 7.06 . . 1 . . . . . . . . 4012 1 197 . 1 1 59 59 LEU N N 15 118.5 . . 1 . . . . . . . . 4012 1 198 . 1 1 59 59 LEU HA H 1 4.19 . . 1 . . . . . . . . 4012 1 199 . 1 1 59 59 LEU CA C 13 54.3 . . 1 . . . . . . . . 4012 1 200 . 1 1 60 60 LYS H H 1 8.55 . . 1 . . . . . . . . 4012 1 201 . 1 1 60 60 LYS N N 15 121.8 . . 1 . . . . . . . . 4012 1 202 . 1 1 60 60 LYS HA H 1 4.25 . . 1 . . . . . . . . 4012 1 203 . 1 1 60 60 LYS CA C 13 55.9 . . 1 . . . . . . . . 4012 1 204 . 1 1 61 61 GLU H H 1 7.57 . . 1 . . . . . . . . 4012 1 205 . 1 1 61 61 GLU N N 15 116.7 . . 1 . . . . . . . . 4012 1 206 . 1 1 61 61 GLU HA H 1 4.4 . . 1 . . . . . . . . 4012 1 207 . 1 1 61 61 GLU CA C 13 54.2 . . 1 . . . . . . . . 4012 1 208 . 1 1 62 62 HIS H H 1 8.24 . . 1 . . . . . . . . 4012 1 209 . 1 1 62 62 HIS N N 15 118.3 . . 1 . . . . . . . . 4012 1 210 . 1 1 62 62 HIS HA H 1 4.55 . . 1 . . . . . . . . 4012 1 211 . 1 1 62 62 HIS CA C 13 56.4 . . 1 . . . . . . . . 4012 1 212 . 1 1 64 64 GLU H H 1 8.27 . . 1 . . . . . . . . 4012 1 213 . 1 1 64 64 GLU N N 15 121.1 . . 1 . . . . . . . . 4012 1 214 . 1 1 64 64 GLU HA H 1 4.87 . . 1 . . . . . . . . 4012 1 215 . 1 1 64 64 GLU CA C 13 55.4 . . 1 . . . . . . . . 4012 1 216 . 1 1 65 65 VAL H H 1 8.62 . . 1 . . . . . . . . 4012 1 217 . 1 1 65 65 VAL N N 15 123.9 . . 1 . . . . . . . . 4012 1 218 . 1 1 65 65 VAL HA H 1 4.72 . . 1 . . . . . . . . 4012 1 219 . 1 1 65 65 VAL CA C 13 59.7 . . 1 . . . . . . . . 4012 1 220 . 1 1 66 66 ILE H H 1 8.46 . . 1 . . . . . . . . 4012 1 221 . 1 1 66 66 ILE N N 15 127.2 . . 1 . . . . . . . . 4012 1 222 . 1 1 66 66 ILE HA H 1 4.72 . . 1 . . . . . . . . 4012 1 223 . 1 1 66 66 ILE CA C 13 59.8 . . 1 . . . . . . . . 4012 1 224 . 1 1 67 67 LEU H H 1 8.54 . . 1 . . . . . . . . 4012 1 225 . 1 1 67 67 LEU N N 15 134.00 . . 1 . . . . . . . . 4012 1 226 . 1 1 67 67 LEU HA H 1 4.56 . . 1 . . . . . . . . 4012 1 227 . 1 1 67 67 LEU CA C 13 54.7 . . 1 . . . . . . . . 4012 1 228 . 1 1 68 68 SER H H 1 8.75 . . 1 . . . . . . . . 4012 1 229 . 1 1 68 68 SER N N 15 120.6 . . 1 . . . . . . . . 4012 1 230 . 1 1 68 68 SER HA H 1 5.72 . . 1 . . . . . . . . 4012 1 231 . 1 1 68 68 SER CA C 13 55.7 . . 1 . . . . . . . . 4012 1 232 . 1 1 69 69 THR H H 1 8.68 . . 1 . . . . . . . . 4012 1 233 . 1 1 69 69 THR N N 15 119.2 . . 1 . . . . . . . . 4012 1 234 . 1 1 69 69 THR CA C 13 60.3 . . 1 . . . . . . . . 4012 1 235 . 1 1 70 70 ASP H H 1 8.8 . . 1 . . . . . . . . 4012 1 236 . 1 1 70 70 ASP N N 15 127.2 . . 1 . . . . . . . . 4012 1 237 . 1 1 70 70 ASP CA C 13 52.7 . . 1 . . . . . . . . 4012 1 238 . 1 1 71 71 SER H H 1 8.29 . . 5 . . . . . . . . 4012 1 239 . 1 1 71 71 SER N N 15 115.3 . . 5 . . . . . . . . 4012 1 240 . 1 1 71 71 SER CA C 13 58.7 . . 1 . . . . . . . . 4012 1 241 . 1 1 72 72 GLN H H 1 9.37 . . 1 . . . . . . . . 4012 1 242 . 1 1 72 72 GLN N N 15 132.7 . . 1 . . . . . . . . 4012 1 243 . 1 1 72 72 GLN HA H 1 3.98 . . 1 . . . . . . . . 4012 1 244 . 1 1 72 72 GLN CA C 13 57.9 . . 1 . . . . . . . . 4012 1 245 . 1 1 73 73 TYR H H 1 8.69 . . 1 . . . . . . . . 4012 1 246 . 1 1 73 73 TYR N N 15 123.4 . . 1 . . . . . . . . 4012 1 247 . 1 1 73 73 TYR CA C 13 61.1 . . 1 . . . . . . . . 4012 1 248 . 1 1 74 74 VAL H H 1 8.09 . . 1 . . . . . . . . 4012 1 249 . 1 1 74 74 VAL N N 15 117.1 . . 1 . . . . . . . . 4012 1 250 . 1 1 74 74 VAL HA H 1 3.75 . . 1 . . . . . . . . 4012 1 251 . 1 1 74 74 VAL CA C 13 66.5 . . 1 . . . . . . . . 4012 1 252 . 1 1 75 75 ARG H H 1 6.97 . . 1 . . . . . . . . 4012 1 253 . 1 1 75 75 ARG N N 15 117.5 . . 1 . . . . . . . . 4012 1 254 . 1 1 75 75 ARG HA H 1 2.35 . . 1 . . . . . . . . 4012 1 255 . 1 1 75 75 ARG CA C 13 58.9 . . 1 . . . . . . . . 4012 1 256 . 1 1 76 76 GLN H H 1 8.17 . . 5 . . . . . . . . 4012 1 257 . 1 1 76 76 GLN N N 15 120.2 . . 5 . . . . . . . . 4012 1 258 . 1 1 76 76 GLN HA H 1 3.1 . . 1 . . . . . . . . 4012 1 259 . 1 1 76 76 GLN CA C 13 58.8 . . 1 . . . . . . . . 4012 1 260 . 1 1 77 77 GLY H H 1 7.78 . . 5 . . . . . . . . 4012 1 261 . 1 1 77 77 GLY N N 15 106.9 . . 5 . . . . . . . . 4012 1 262 . 1 1 77 77 GLY HA2 H 1 3.77 . . 1 . . . . . . . . 4012 1 263 . 1 1 77 77 GLY HA3 H 1 3.1 . . 1 . . . . . . . . 4012 1 264 . 1 1 77 77 GLY CA C 13 47.9 . . 1 . . . . . . . . 4012 1 265 . 1 1 78 78 ILE H H 1 8.35 . . 1 . . . . . . . . 4012 1 266 . 1 1 78 78 ILE N N 15 119.7 . . 1 . . . . . . . . 4012 1 267 . 1 1 78 78 ILE HA H 1 3.66 . . 1 . . . . . . . . 4012 1 268 . 1 1 78 78 ILE CA C 13 60.9 . . 1 . . . . . . . . 4012 1 269 . 1 1 79 79 THR H H 1 7.78 . . 5 . . . . . . . . 4012 1 270 . 1 1 79 79 THR N N 15 106.9 . . 5 . . . . . . . . 4012 1 271 . 1 1 79 79 THR HA H 1 4.09 . . 1 . . . . . . . . 4012 1 272 . 1 1 79 79 THR CA C 13 63.8 . . 1 . . . . . . . . 4012 1 273 . 1 1 80 80 GLN H H 1 7.51 . . 5 . . . . . . . . 4012 1 274 . 1 1 80 80 GLN N N 15 117.1 . . 5 . . . . . . . . 4012 1 275 . 1 1 80 80 GLN HA H 1 4.45 . . 1 . . . . . . . . 4012 1 276 . 1 1 80 80 GLN CA C 13 56.8 . . 1 . . . . . . . . 4012 1 277 . 1 1 81 81 TRP H H 1 7.1 . . 1 . . . . . . . . 4012 1 278 . 1 1 81 81 TRP N N 15 118.00 . . 1 . . . . . . . . 4012 1 279 . 1 1 81 81 TRP HA H 1 4.19 . . 1 . . . . . . . . 4012 1 280 . 1 1 81 81 TRP CA C 13 57.5 . . 1 . . . . . . . . 4012 1 281 . 1 1 82 82 ILE H H 1 8.46 . . 1 . . . . . . . . 4012 1 282 . 1 1 82 82 ILE N N 15 117.7 . . 1 . . . . . . . . 4012 1 283 . 1 1 82 82 ILE HA H 1 3.45 . . 1 . . . . . . . . 4012 1 284 . 1 1 82 82 ILE CA C 13 66.1 . . 1 . . . . . . . . 4012 1 285 . 1 1 83 83 HIS H H 1 7.94 . . 1 . . . . . . . . 4012 1 286 . 1 1 83 83 HIS N N 15 118.1 . . 1 . . . . . . . . 4012 1 287 . 1 1 83 83 HIS HA H 1 4.09 . . 1 . . . . . . . . 4012 1 288 . 1 1 83 83 HIS CA C 13 58.8 . . 1 . . . . . . . . 4012 1 289 . 1 1 84 84 ASN H H 1 7.41 . . 1 . . . . . . . . 4012 1 290 . 1 1 84 84 ASN N N 15 117.5 . . 1 . . . . . . . . 4012 1 291 . 1 1 84 84 ASN HA H 1 4.35 . . 1 . . . . . . . . 4012 1 292 . 1 1 84 84 ASN CA C 13 55.2 . . 1 . . . . . . . . 4012 1 293 . 1 1 85 85 TRP H H 1 8.17 . . 5 . . . . . . . . 4012 1 294 . 1 1 85 85 TRP N N 15 120.2 . . 5 . . . . . . . . 4012 1 295 . 1 1 85 85 TRP HA H 1 4.35 . . 1 . . . . . . . . 4012 1 296 . 1 1 85 85 TRP CA C 13 57.5 . . 1 . . . . . . . . 4012 1 297 . 1 1 86 86 LYS H H 1 8.09 . . 1 . . . . . . . . 4012 1 298 . 1 1 86 86 LYS N N 15 118.9 . . 1 . . . . . . . . 4012 1 299 . 1 1 86 86 LYS CA C 13 59.9 . . 1 . . . . . . . . 4012 1 300 . 1 1 87 87 LYS H H 1 7.32 . . 1 . . . . . . . . 4012 1 301 . 1 1 87 87 LYS N N 15 118.7 . . 1 . . . . . . . . 4012 1 302 . 1 1 87 87 LYS HA H 1 4.03 . . 1 . . . . . . . . 4012 1 303 . 1 1 87 87 LYS CA C 13 58.2 . . 1 . . . . . . . . 4012 1 304 . 1 1 88 88 ARG H H 1 7.21 . . 5 . . . . . . . . 4012 1 305 . 1 1 88 88 ARG N N 15 116.2 . . 5 . . . . . . . . 4012 1 306 . 1 1 88 88 ARG HA H 1 4.45 . . 1 . . . . . . . . 4012 1 307 . 1 1 88 88 ARG CA C 13 54.9 . . 1 . . . . . . . . 4012 1 308 . 1 1 89 89 GLY H H 1 7.75 . . 1 . . . . . . . . 4012 1 309 . 1 1 89 89 GLY N N 15 108.5 . . 1 . . . . . . . . 4012 1 310 . 1 1 89 89 GLY HA2 H 1 3.9 . . 1 . . . . . . . . 4012 1 311 . 1 1 89 89 GLY HA3 H 1 3.9 . . 1 . . . . . . . . 4012 1 312 . 1 1 89 89 GLY CA C 13 47.2 . . 1 . . . . . . . . 4012 1 313 . 1 1 90 90 TRP H H 1 8.51 . . 1 . . . . . . . . 4012 1 314 . 1 1 90 90 TRP N N 15 112.6 . . 1 . . . . . . . . 4012 1 315 . 1 1 90 90 TRP HA H 1 3.4 . . 1 . . . . . . . . 4012 1 316 . 1 1 90 90 TRP CA C 13 58.1 . . 1 . . . . . . . . 4012 1 317 . 1 1 91 91 LYS H H 1 6.78 . . 1 . . . . . . . . 4012 1 318 . 1 1 91 91 LYS N N 15 116.4 . . 1 . . . . . . . . 4012 1 319 . 1 1 91 91 LYS HA H 1 4.98 . . 1 . . . . . . . . 4012 1 320 . 1 1 91 91 LYS CA C 13 53.8 . . 1 . . . . . . . . 4012 1 321 . 1 1 92 92 THR H H 1 8.87 . . 1 . . . . . . . . 4012 1 322 . 1 1 92 92 THR N N 15 109.4 . . 1 . . . . . . . . 4012 1 323 . 1 1 92 92 THR HA H 1 4.35 . . 1 . . . . . . . . 4012 1 324 . 1 1 92 92 THR CA C 13 60.7 . . 1 . . . . . . . . 4012 1 325 . 1 1 93 93 ALA H H 1 9.08 . . 1 . . . . . . . . 4012 1 326 . 1 1 93 93 ALA N N 15 123.5 . . 1 . . . . . . . . 4012 1 327 . 1 1 93 93 ALA HA H 1 4.03 . . 1 . . . . . . . . 4012 1 328 . 1 1 93 93 ALA CA C 13 54.8 . . 1 . . . . . . . . 4012 1 329 . 1 1 94 94 ASP H H 1 7.97 . . 1 . . . . . . . . 4012 1 330 . 1 1 94 94 ASP N N 15 113.8 . . 1 . . . . . . . . 4012 1 331 . 1 1 94 94 ASP HA H 1 4.61 . . 1 . . . . . . . . 4012 1 332 . 1 1 94 94 ASP CA C 13 52.9 . . 1 . . . . . . . . 4012 1 333 . 1 1 95 95 LYS H H 1 8.03 . . 1 . . . . . . . . 4012 1 334 . 1 1 95 95 LYS N N 15 122.2 . . 1 . . . . . . . . 4012 1 335 . 1 1 95 95 LYS HA H 1 3.61 . . 1 . . . . . . . . 4012 1 336 . 1 1 95 95 LYS CA C 13 57.7 . . 1 . . . . . . . . 4012 1 337 . 1 1 96 96 LYS H H 1 7.59 . . 1 . . . . . . . . 4012 1 338 . 1 1 96 96 LYS N N 15 119.7 . . 1 . . . . . . . . 4012 1 339 . 1 1 96 96 LYS HA H 1 4.66 . . 1 . . . . . . . . 4012 1 340 . 1 1 96 96 LYS CA C 13 53.4 . . 1 . . . . . . . . 4012 1 341 . 1 1 98 98 VAL H H 1 7.57 . . 1 . . . . . . . . 4012 1 342 . 1 1 98 98 VAL N N 15 120.5 . . 1 . . . . . . . . 4012 1 343 . 1 1 98 98 VAL HA H 1 3.35 . . 1 . . . . . . . . 4012 1 344 . 1 1 98 98 VAL CA C 13 61.6 . . 1 . . . . . . . . 4012 1 345 . 1 1 99 99 LYS H H 1 8.27 . . 1 . . . . . . . . 4012 1 346 . 1 1 99 99 LYS N N 15 127.7 . . 1 . . . . . . . . 4012 1 347 . 1 1 99 99 LYS HA H 1 4.03 . . 1 . . . . . . . . 4012 1 348 . 1 1 99 99 LYS CA C 13 57.2 . . 1 . . . . . . . . 4012 1 349 . 1 1 100 100 ASN H H 1 9.44 . . 1 . . . . . . . . 4012 1 350 . 1 1 100 100 ASN N N 15 115.8 . . 1 . . . . . . . . 4012 1 351 . 1 1 100 100 ASN HA H 1 4.25 . . 1 . . . . . . . . 4012 1 352 . 1 1 100 100 ASN CA C 13 54.8 . . 1 . . . . . . . . 4012 1 353 . 1 1 101 101 VAL H H 1 7.61 . . 1 . . . . . . . . 4012 1 354 . 1 1 101 101 VAL N N 15 118.8 . . 1 . . . . . . . . 4012 1 355 . 1 1 101 101 VAL HA H 1 3.56 . . 1 . . . . . . . . 4012 1 356 . 1 1 101 101 VAL CA C 13 65.4 . . 1 . . . . . . . . 4012 1 357 . 1 1 102 102 ASP H H 1 8.56 . . 1 . . . . . . . . 4012 1 358 . 1 1 102 102 ASP N N 15 119.3 . . 1 . . . . . . . . 4012 1 359 . 1 1 102 102 ASP HA H 1 4.03 . . 1 . . . . . . . . 4012 1 360 . 1 1 102 102 ASP CA C 13 56.00 . . 1 . . . . . . . . 4012 1 361 . 1 1 103 103 LEU H H 1 7.24 . . 1 . . . . . . . . 4012 1 362 . 1 1 103 103 LEU N N 15 118.3 . . 1 . . . . . . . . 4012 1 363 . 1 1 103 103 LEU HA H 1 4.14 . . 1 . . . . . . . . 4012 1 364 . 1 1 103 103 LEU CA C 13 55.8 . . 1 . . . . . . . . 4012 1 365 . 1 1 104 104 TRP H H 1 8.49 . . 1 . . . . . . . . 4012 1 366 . 1 1 104 104 TRP N N 15 120.8 . . 1 . . . . . . . . 4012 1 367 . 1 1 104 104 TRP HA H 1 4.51 . . 1 . . . . . . . . 4012 1 368 . 1 1 104 104 TRP CA C 13 61.3 . . 1 . . . . . . . . 4012 1 369 . 1 1 105 105 GLN H H 1 8.39 . . 1 . . . . . . . . 4012 1 370 . 1 1 105 105 GLN N N 15 115.6 . . 1 . . . . . . . . 4012 1 371 . 1 1 105 105 GLN HA H 1 3.61 . . 1 . . . . . . . . 4012 1 372 . 1 1 105 105 GLN CA C 13 59.2 . . 1 . . . . . . . . 4012 1 373 . 1 1 106 106 ARG H H 1 7.00 . . 1 . . . . . . . . 4012 1 374 . 1 1 106 106 ARG N N 15 120.8 . . 1 . . . . . . . . 4012 1 375 . 1 1 106 106 ARG HA H 1 4.14 . . 1 . . . . . . . . 4012 1 376 . 1 1 106 106 ARG CA C 13 59.2 . . 1 . . . . . . . . 4012 1 377 . 1 1 107 107 LEU H H 1 8.71 . . 1 . . . . . . . . 4012 1 378 . 1 1 107 107 LEU N N 15 121.4 . . 1 . . . . . . . . 4012 1 379 . 1 1 107 107 LEU HA H 1 4.09 . . 1 . . . . . . . . 4012 1 380 . 1 1 107 107 LEU CA C 13 58.2 . . 1 . . . . . . . . 4012 1 381 . 1 1 108 108 ASP H H 1 8.74 . . 1 . . . . . . . . 4012 1 382 . 1 1 108 108 ASP N N 15 118.2 . . 1 . . . . . . . . 4012 1 383 . 1 1 108 108 ASP HA H 1 4.51 . . 1 . . . . . . . . 4012 1 384 . 1 1 108 108 ASP CA C 13 58.2 . . 1 . . . . . . . . 4012 1 385 . 1 1 109 109 ALA H H 1 7.87 . . 1 . . . . . . . . 4012 1 386 . 1 1 109 109 ALA N N 15 118.9 . . 1 . . . . . . . . 4012 1 387 . 1 1 109 109 ALA HA H 1 4.14 . . 1 . . . . . . . . 4012 1 388 . 1 1 109 109 ALA CA C 13 54.8 . . 1 . . . . . . . . 4012 1 389 . 1 1 110 110 ALA H H 1 7.65 . . 1 . . . . . . . . 4012 1 390 . 1 1 110 110 ALA N N 15 120.9 . . 1 . . . . . . . . 4012 1 391 . 1 1 110 110 ALA HA H 1 4.3 . . 1 . . . . . . . . 4012 1 392 . 1 1 110 110 ALA CA C 13 54.6 . . 1 . . . . . . . . 4012 1 393 . 1 1 111 111 LEU H H 1 8.65 . . 5 . . . . . . . . 4012 1 394 . 1 1 111 111 LEU N N 15 117.3 . . 5 . . . . . . . . 4012 1 395 . 1 1 111 111 LEU HA H 1 4.09 . . 1 . . . . . . . . 4012 1 396 . 1 1 111 111 LEU CA C 13 57.5 . . 1 . . . . . . . . 4012 1 397 . 1 1 112 112 GLY H H 1 7.52 . . 1 . . . . . . . . 4012 1 398 . 1 1 112 112 GLY N N 15 101.5 . . 1 . . . . . . . . 4012 1 399 . 1 1 112 112 GLY HA2 H 1 4.09 . . 1 . . . . . . . . 4012 1 400 . 1 1 112 112 GLY HA3 H 1 3.91 . . 1 . . . . . . . . 4012 1 401 . 1 1 112 112 GLY CA C 13 46.2 . . 1 . . . . . . . . 4012 1 402 . 1 1 113 113 GLN H H 1 7.51 . . 5 . . . . . . . . 4012 1 403 . 1 1 113 113 GLN N N 15 117.1 . . 5 . . . . . . . . 4012 1 404 . 1 1 113 113 GLN CA C 13 55.3 . . 1 . . . . . . . . 4012 1 405 . 1 1 114 114 HIS H H 1 7.43 . . 5 . . . . . . . . 4012 1 406 . 1 1 114 114 HIS N N 15 116.7 . . 5 . . . . . . . . 4012 1 407 . 1 1 114 114 HIS HA H 1 5.03 . . 5 . . . . . . . . 4012 1 408 . 1 1 114 114 HIS CA C 13 55.5 . . 1 . . . . . . . . 4012 1 409 . 1 1 115 115 GLN H H 1 8.6 . . 1 . . . . . . . . 4012 1 410 . 1 1 115 115 GLN N N 15 121.4 . . 1 . . . . . . . . 4012 1 411 . 1 1 115 115 GLN HA H 1 4.66 . . 1 . . . . . . . . 4012 1 412 . 1 1 115 115 GLN CA C 13 54.7 . . 1 . . . . . . . . 4012 1 413 . 1 1 116 116 ILE H H 1 8.52 . . 1 . . . . . . . . 4012 1 414 . 1 1 116 116 ILE N N 15 125.9 . . 1 . . . . . . . . 4012 1 415 . 1 1 116 116 ILE HA H 1 4.45 . . 1 . . . . . . . . 4012 1 416 . 1 1 116 116 ILE CA C 13 59.9 . . 1 . . . . . . . . 4012 1 417 . 1 1 117 117 LYS H H 1 8.68 . . 1 . . . . . . . . 4012 1 418 . 1 1 117 117 LYS N N 15 129.5 . . 1 . . . . . . . . 4012 1 419 . 1 1 117 117 LYS HA H 1 4.45 . . 1 . . . . . . . . 4012 1 420 . 1 1 117 117 LYS CA C 13 54.6 . . 1 . . . . . . . . 4012 1 421 . 1 1 118 118 TRP H H 1 8.26 . . 1 . . . . . . . . 4012 1 422 . 1 1 118 118 TRP N N 15 25.8 . . 1 . . . . . . . . 4012 1 423 . 1 1 118 118 TRP HA H 1 4.45 . . 1 . . . . . . . . 4012 1 424 . 1 1 118 118 TRP CA C 13 55.8 . . 1 . . . . . . . . 4012 1 425 . 1 1 119 119 GLU H H 1 8.91 . . 1 . . . . . . . . 4012 1 426 . 1 1 119 119 GLU N N 15 126.7 . . 1 . . . . . . . . 4012 1 427 . 1 1 119 119 GLU HA H 1 4.3 . . 1 . . . . . . . . 4012 1 428 . 1 1 119 119 GLU CA C 13 54.3 . . 1 . . . . . . . . 4012 1 429 . 1 1 120 120 TRP H H 1 8.00 . . 1 . . . . . . . . 4012 1 430 . 1 1 120 120 TRP N N 15 126.1 . . 1 . . . . . . . . 4012 1 431 . 1 1 120 120 TRP HA H 1 5.7 . . 1 . . . . . . . . 4012 1 432 . 1 1 120 120 TRP CA C 13 53.4 . . 1 . . . . . . . . 4012 1 433 . 1 1 121 121 VAL H H 1 7.99 . . 5 . . . . . . . . 4012 1 434 . 1 1 121 121 VAL N N 15 122.7 . . 5 . . . . . . . . 4012 1 435 . 1 1 121 121 VAL HA H 1 4.3 . . 1 . . . . . . . . 4012 1 436 . 1 1 121 121 VAL CA C 13 61.1 . . 1 . . . . . . . . 4012 1 437 . 1 1 122 122 LYS H H 1 8.41 . . 1 . . . . . . . . 4012 1 438 . 1 1 122 122 LYS N N 15 123.8 . . 1 . . . . . . . . 4012 1 439 . 1 1 122 122 LYS HA H 1 4.48 . . 1 . . . . . . . . 4012 1 440 . 1 1 122 122 LYS CA C 13 55.5 . . 1 . . . . . . . . 4012 1 441 . 1 1 123 123 GLY H H 1 8.53 . . 1 . . . . . . . . 4012 1 442 . 1 1 123 123 GLY N N 15 111.3 . . 1 . . . . . . . . 4012 1 443 . 1 1 123 123 GLY HA2 H 1 3.9 . . 1 . . . . . . . . 4012 1 444 . 1 1 123 123 GLY HA3 H 1 3.9 . . 1 . . . . . . . . 4012 1 445 . 1 1 123 123 GLY CA C 13 45.7 . . 1 . . . . . . . . 4012 1 446 . 1 1 124 124 HIS H H 1 8.65 . . 5 . . . . . . . . 4012 1 447 . 1 1 124 124 HIS N N 15 116.6 . . 5 . . . . . . . . 4012 1 448 . 1 1 124 124 HIS CA C 13 55.9 . . 1 . . . . . . . . 4012 1 449 . 1 1 125 125 ALA H H 1 8.07 . . 5 . . . . . . . . 4012 1 450 . 1 1 125 125 ALA N N 15 123.2 . . 5 . . . . . . . . 4012 1 451 . 1 1 125 125 ALA HA H 1 4.45 . . 1 . . . . . . . . 4012 1 452 . 1 1 125 125 ALA CA C 13 52.2 . . 1 . . . . . . . . 4012 1 453 . 1 1 126 126 GLY H H 1 8.53 . . 1 . . . . . . . . 4012 1 454 . 1 1 126 126 GLY N N 15 109.6 . . 1 . . . . . . . . 4012 1 455 . 1 1 126 126 GLY HA2 H 1 3.82 . . 1 . . . . . . . . 4012 1 456 . 1 1 126 126 GLY HA3 H 1 3.7 . . 1 . . . . . . . . 4012 1 457 . 1 1 126 126 GLY CA C 13 45.00 . . 1 . . . . . . . . 4012 1 458 . 1 1 127 127 HIS H H 1 8.66 . . 5 . . . . . . . . 4012 1 459 . 1 1 127 127 HIS N N 15 118.8 . . 5 . . . . . . . . 4012 1 460 . 1 1 127 127 HIS CA C 13 53.1 . . 1 . . . . . . . . 4012 1 461 . 1 1 129 129 GLU H H 1 9.38 . . 1 . . . . . . . . 4012 1 462 . 1 1 129 129 GLU N N 15 117.00 . . 1 . . . . . . . . 4012 1 463 . 1 1 129 129 GLU HA H 1 3.6 . . 1 . . . . . . . . 4012 1 464 . 1 1 129 129 GLU CA C 13 60.3 . . 1 . . . . . . . . 4012 1 465 . 1 1 130 130 ASN H H 1 7.49 . . 1 . . . . . . . . 4012 1 466 . 1 1 130 130 ASN N N 15 115.7 . . 1 . . . . . . . . 4012 1 467 . 1 1 130 130 ASN HA H 1 4.4 . . 1 . . . . . . . . 4012 1 468 . 1 1 130 130 ASN CA C 13 58.2 . . 1 . . . . . . . . 4012 1 469 . 1 1 134 134 ASP H H 1 7.69 . . 1 . . . . . . . . 4012 1 470 . 1 1 134 134 ASP N N 15 117.7 . . 1 . . . . . . . . 4012 1 471 . 1 1 134 134 ASP CA C 13 56.8 . . 1 . . . . . . . . 4012 1 472 . 1 1 135 135 GLU H H 1 8.05 . . 1 . . . . . . . . 4012 1 473 . 1 1 135 135 GLU N N 15 118.9 . . 1 . . . . . . . . 4012 1 474 . 1 1 135 135 GLU HA H 1 3.82 . . 1 . . . . . . . . 4012 1 475 . 1 1 135 135 GLU CA C 13 59.5 . . 1 . . . . . . . . 4012 1 476 . 1 1 136 136 LEU H H 1 8.23 . . 1 . . . . . . . . 4012 1 477 . 1 1 136 136 LEU N N 15 119.8 . . 1 . . . . . . . . 4012 1 478 . 1 1 136 136 LEU HA H 1 3.98 . . 1 . . . . . . . . 4012 1 479 . 1 1 136 136 LEU CA C 13 57.6 . . 1 . . . . . . . . 4012 1 480 . 1 1 137 137 ALA H H 1 7.99 . . 5 . . . . . . . . 4012 1 481 . 1 1 137 137 ALA N N 15 122.7 . . 5 . . . . . . . . 4012 1 482 . 1 1 137 137 ALA HA H 1 3.61 . . 1 . . . . . . . . 4012 1 483 . 1 1 137 137 ALA CA C 13 55.5 . . 1 . . . . . . . . 4012 1 484 . 1 1 138 138 ARG H H 1 8.25 . . 5 . . . . . . . . 4012 1 485 . 1 1 138 138 ARG N N 15 115.9 . . 5 . . . . . . . . 4012 1 486 . 1 1 138 138 ARG HA H 1 3.72 . . 1 . . . . . . . . 4012 1 487 . 1 1 138 138 ARG CA C 13 59.2 . . 1 . . . . . . . . 4012 1 488 . 1 1 139 139 ALA H H 1 7.94 . . 1 . . . . . . . . 4012 1 489 . 1 1 139 139 ALA N N 15 120.3 . . 1 . . . . . . . . 4012 1 490 . 1 1 139 139 ALA HA H 1 4.03 . . 1 . . . . . . . . 4012 1 491 . 1 1 139 139 ALA CA C 13 54.5 . . 1 . . . . . . . . 4012 1 492 . 1 1 140 140 ALA H H 1 7.83 . . 1 . . . . . . . . 4012 1 493 . 1 1 140 140 ALA N N 15 121.7 . . 1 . . . . . . . . 4012 1 494 . 1 1 140 140 ALA HA H 1 3.93 . . 1 . . . . . . . . 4012 1 495 . 1 1 140 140 ALA CA C 13 54.6 . . 1 . . . . . . . . 4012 1 496 . 1 1 141 141 ALA H H 1 7.67 . . 1 . . . . . . . . 4012 1 497 . 1 1 141 141 ALA N N 15 118.6 . . 1 . . . . . . . . 4012 1 498 . 1 1 141 141 ALA HA H 1 3.72 . . 1 . . . . . . . . 4012 1 499 . 1 1 141 141 ALA CA C 13 54.3 . . 1 . . . . . . . . 4012 1 500 . 1 1 142 142 MET H H 1 7.00 . . 1 . . . . . . . . 4012 1 501 . 1 1 142 142 MET N N 15 110.3 . . 1 . . . . . . . . 4012 1 502 . 1 1 142 142 MET HA H 1 4.29 . . 1 . . . . . . . . 4012 1 503 . 1 1 142 142 MET CA C 13 55.4 . . 1 . . . . . . . . 4012 1 504 . 1 1 143 143 ASN H H 1 7.43 . . 5 . . . . . . . . 4012 1 505 . 1 1 143 143 ASN N N 15 116.7 . . 5 . . . . . . . . 4012 1 506 . 1 1 143 143 ASN HA H 1 5.01 . . 5 . . . . . . . . 4012 1 507 . 1 1 143 143 ASN CA C 13 51.2 . . 1 . . . . . . . . 4012 1 508 . 1 1 145 145 THR H H 1 7.5 . . 1 . . . . . . . . 4012 1 509 . 1 1 145 145 THR N N 15 108.6 . . 1 . . . . . . . . 4012 1 510 . 1 1 145 145 THR HA H 1 4.51 . . 1 . . . . . . . . 4012 1 511 . 1 1 145 145 THR CA C 13 61.2 . . 1 . . . . . . . . 4012 1 512 . 1 1 146 146 LEU H H 1 8.07 . . 5 . . . . . . . . 4012 1 513 . 1 1 146 146 LEU N N 15 123.2 . . 5 . . . . . . . . 4012 1 514 . 1 1 146 146 LEU HA H 1 4.72 . . 1 . . . . . . . . 4012 1 515 . 1 1 146 146 LEU CA C 13 53.8 . . 1 . . . . . . . . 4012 1 516 . 1 1 147 147 GLU H H 1 8.33 . . 1 . . . . . . . . 4012 1 517 . 1 1 147 147 GLU N N 15 117.7 . . 1 . . . . . . . . 4012 1 518 . 1 1 147 147 GLU HA H 1 4.8 . . 1 . . . . . . . . 4012 1 519 . 1 1 147 147 GLU CA C 13 54.3 . . 1 . . . . . . . . 4012 1 520 . 1 1 148 148 ASP H H 1 10.00 . . 1 . . . . . . . . 4012 1 521 . 1 1 148 148 ASP N N 15 125.5 . . 1 . . . . . . . . 4012 1 522 . 1 1 148 148 ASP HA H 1 4.82 . . 1 . . . . . . . . 4012 1 523 . 1 1 148 148 ASP CA C 13 51.9 . . 1 . . . . . . . . 4012 1 524 . 1 1 149 149 THR H H 1 7.83 . . 5 . . . . . . . . 4012 1 525 . 1 1 149 149 THR N N 15 116.2 . . 5 . . . . . . . . 4012 1 526 . 1 1 149 149 THR HA H 1 4.09 . . 1 . . . . . . . . 4012 1 527 . 1 1 149 149 THR CA C 13 64.2 . . 1 . . . . . . . . 4012 1 528 . 1 1 150 150 GLY H H 1 8.00 . . 1 . . . . . . . . 4012 1 529 . 1 1 150 150 GLY N N 15 106.5 . . 1 . . . . . . . . 4012 1 530 . 1 1 150 150 GLY HA2 H 1 4.14 . . 1 . . . . . . . . 4012 1 531 . 1 1 150 150 GLY HA3 H 1 3.72 . . 1 . . . . . . . . 4012 1 532 . 1 1 150 150 GLY CA C 13 44.7 . . 1 . . . . . . . . 4012 1 533 . 1 1 151 151 TYR H H 1 7.21 . . 1 . . . . . . . . 4012 1 534 . 1 1 151 151 TYR N N 15 121.1 . . 1 . . . . . . . . 4012 1 535 . 1 1 151 151 TYR HA H 1 4.19 . . 1 . . . . . . . . 4012 1 536 . 1 1 151 151 TYR CA C 13 58.7 . . 1 . . . . . . . . 4012 1 537 . 1 1 152 152 GLN H H 1 7.55 . . 1 . . . . . . . . 4012 1 538 . 1 1 152 152 GLN N N 15 126.00 . . 1 . . . . . . . . 4012 1 539 . 1 1 152 152 GLN HA H 1 4.14 . . 1 . . . . . . . . 4012 1 540 . 1 1 152 152 GLN CA C 13 54.1 . . 1 . . . . . . . . 4012 1 541 . 1 1 153 153 VAL H H 1 7.86 . . 5 . . . . . . . . 4012 1 542 . 1 1 153 153 VAL N N 15 120.6 . . 5 . . . . . . . . 4012 1 543 . 1 1 153 153 VAL HA H 1 3.82 . . 1 . . . . . . . . 4012 1 544 . 1 1 153 153 VAL CA C 13 62.4 . . 1 . . . . . . . . 4012 1 545 . 1 1 154 154 GLU H H 1 8.24 . . 1 . . . . . . . . 4012 1 546 . 1 1 154 154 GLU N N 15 125.00 . . 1 . . . . . . . . 4012 1 547 . 1 1 154 154 GLU HA H 1 4.3 . . 1 . . . . . . . . 4012 1 548 . 1 1 154 154 GLU CA C 13 56.2 . . 1 . . . . . . . . 4012 1 549 . 1 1 155 155 VAL H H 1 7.71 . . 1 . . . . . . . . 4012 1 550 . 1 1 155 155 VAL N N 15 125.2 . . 1 . . . . . . . . 4012 1 551 . 1 1 155 155 VAL HA H 1 4.03 . . 1 . . . . . . . . 4012 1 552 . 1 1 155 155 VAL CA C 13 63.4 . . 1 . . . . . . . . 4012 1 stop_ save_