data_1657 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1657 _Entry.Title ; Assignments of Backbone 1H, 13C, 15N Resonances and Secondary Structure of Ribonuclease H from Escherichia coli by Heteronuclear Three-Dimensional NMR Spectroscopy ; _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 Toshio Yamazaki . . . 1657 2 Mayumi Yoshida . . . 1657 3 Shigenori Kanaya . . . 1657 4 Haruki Nakamura . . . 1657 5 Kuniaki Nagayama . . . 1657 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1657 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 122 1657 '15N chemical shifts' 148 1657 '1H chemical shifts' 317 1657 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 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1657 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1657 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1657 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1657 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1657 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1657 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Yamazaki, Toshio, Yoshida, Mayumi, Kanaya, Shigenori, Nakamura, Haruki, Nagayama, Kuniaki, "Assignments of Backbone 1H, 13C, 15N Resonances and Secondary Structure of Ribonuclease H from Escherichia coli by Heteronuclear Three-Dimensional NMR Spectroscopy," Biochemistry 30, 6036-6047 (1991). ; _Citation.Title ; Assignments of Backbone 1H, 13C, 15N Resonances and Secondary Structure of Ribonuclease H from Escherichia coli by Heteronuclear Three-Dimensional NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _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 6036 _Citation.Page_last 6047 _Citation.Year 1991 _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 Toshio Yamazaki . . . 1657 1 2 Mayumi Yoshida . . . 1657 1 3 Shigenori Kanaya . . . 1657 1 4 Haruki Nakamura . . . 1657 1 5 Kuniaki Nagayama . . . 1657 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ribonuclease_H _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ribonuclease_H _Assembly.Entry_ID 1657 _Assembly.ID 1 _Assembly.Name 'ribonuclease H' _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 'ribonuclease H' 1 $ribonuclease_H . . . . . . . . . 1657 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ribonuclease H' system 1657 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ribonuclease_H _Entity.Sf_category entity _Entity.Sf_framecode ribonuclease_H _Entity.Entry_ID 1657 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ribonuclease H' _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 ; MLKQVEIFTDGSCLGNPGPG GYGAILRYRGREKTFSAGYT RTTNNRMELMAAIVALEALK EHCEVILSTDSQYVRQGITQ WIHNWKKRGWKTADKKPVKN VDLWQRLDAALGQHQIKWEW VKGHAGHPENERCDELARAA AMNPTLEDTGYQVEV ; _Entity.Polymer_seq_one_letter_code ; MLKQVEIFTDGSCLGNPGPG GYGAILRYRGREKTFSAGYT RTTNNRMELMAAIVALEALK EHCEVILSTDSQYVRQGITQ WIHNWKKRGWKTADKKPVKN VDLWQRLDAALGQHQIKWEW VKGHAGHPENERCDELARAA 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 . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.26.4 _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 2015-11-25 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 4012 . "Ribonuclease H1" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 1657 1 2 no PDB 1F21 . "Divalent Metal Cofactor Binding In The Kinetic Folding Trajectory Of E. Coli Ribonuclease Hi" . . . . . 100.00 155 98.06 98.06 2.53e-108 . . . . 1657 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 97.42 97.42 9.91e-108 . . . . 1657 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 99.36 99.36 2.12e-109 . . . . 1657 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 99.35 99.35 1.18e-110 . . . . 1657 1 6 no PDB 1GOC . "Cooperative Stabilization Of Escherichia Coli Ribonuclease Hi By Insertion Of Gly-80b And Gly-77-> Ala Substitution" . . . . . 100.65 156 98.72 98.72 1.06e-108 . . . . 1657 1 7 no PDB 1JL1 . "D10a E. Coli Ribonuclease Hi" . . . . . 100.00 155 97.42 97.42 2.22e-107 . . . . 1657 1 8 no PDB 1JXB . "I53a, A Point Mutant Of The Cysteine-Free Variant Of E. Coli Rnase Hi" . . . . . 100.00 155 97.42 97.42 1.08e-107 . . . . 1657 1 9 no PDB 1KVA . "E. Coli Ribonuclease Hi D134a Mutant" . . . . . 100.00 155 99.35 99.35 2.83e-110 . . . . 1657 1 10 no PDB 1KVB . "E. Coli Ribonuclease Hi D134h Mutant" . . . . . 100.00 155 99.35 99.35 4.01e-110 . . . . 1657 1 11 no PDB 1KVC . "E. Coli Ribonuclease Hi D134n Mutant" . . . . . 100.00 155 99.35 100.00 1.27e-110 . . . . 1657 1 12 no PDB 1LAV . "Stabilization Of Escherichia Coli Ribonuclease Hi By Cavity- Filling Mutations Within A Hydrophobic Core" . . . . . 100.00 155 99.35 100.00 7.30e-111 . . . . 1657 1 13 no PDB 1LAW . "Stabilization Of Escherichia Coli Ribonuclease Hi By Cavity- Filling Mutations Within A Hydrophobic Core" . . . . . 100.00 155 99.35 100.00 3.96e-111 . . . . 1657 1 14 no PDB 1RBR . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 99.35 99.35 6.93e-110 . . . . 1657 1 15 no PDB 1RBS . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 99.35 99.35 4.89e-110 . . . . 1657 1 16 no PDB 1RBT . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 99.35 99.35 3.09e-110 . . . . 1657 1 17 no PDB 1RBU . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 99.35 99.35 1.50e-110 . . . . 1657 1 18 no PDB 1RBV . "Structural Study Of Mutants Of Escherichia Coli Ribonuclease Hi With Enhanced Thermostability" . . . . . 100.00 155 99.35 99.35 1.60e-110 . . . . 1657 1 19 no PDB 1RCH . "Solution Nmr Structure Of Ribonuclease Hi From Escherichia Coli, 8 Structures" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 20 no PDB 1RDA . "Crystal Structures Of Ribonuclease Hi Active Site Mutants From Escherichia Coli" . . . . . 100.00 155 99.35 100.00 1.27e-110 . . . . 1657 1 21 no PDB 1RDB . "Crystal Structures Of Ribonuclease Hi Active Site Mutants From Escherichia Coli" . . . . . 100.00 155 99.35 100.00 6.76e-111 . . . . 1657 1 22 no PDB 1RDC . "Crystal Structures Of Ribonuclease Hi Active Site Mutants From Escherichia Coli" . . . . . 100.00 155 99.35 100.00 1.27e-110 . . . . 1657 1 23 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" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 24 no PDB 1RNH . "Structure Of Ribonuclease H Phased At 2 Angstroms Resolution By Mad Analysis Of The Selenomethionyl Protein" . . . . . 99.35 155 98.05 98.05 3.44e-107 . . . . 1657 1 25 no PDB 1WSE . "Co-Crystal Structure Of E.Coli Rnase Hi Active Site Mutant (E48a) With Mn2+" . . . . . 100.00 155 98.71 98.71 1.10e-109 . . . . 1657 1 26 no PDB 1WSF . "Co-crystal Structure Of E.coli Rnase Hi Active Site Mutant (d134a*) With Mn2+" . . . . . 100.00 155 98.71 98.71 2.07e-109 . . . . 1657 1 27 no PDB 1WSG . "Co-Crystal Structure Of E.Coli Rnase Hi Active Site Mutant (E48aD134N) WITH MN2+" . . . . . 100.00 155 98.06 98.71 4.59e-109 . . . . 1657 1 28 no PDB 1WSH . "Crystal Structure Of E.Coli Rnase Hi Active Site Mutant (E48aK87A)" . . . . . 100.00 155 98.71 98.71 1.10e-109 . . . . 1657 1 29 no PDB 1WSI . "Crystal Structure Of E.Coli Rnase Hi Active Site Mutant (E48aK87AD134N)" . . . . . 100.00 155 98.06 98.71 4.59e-109 . . . . 1657 1 30 no PDB 1WSJ . "Crystal Structure Of E.Coli Rnase Hi Active Site Mutant (K87aH124A)" . . . . . 100.00 155 98.71 98.71 3.03e-109 . . . . 1657 1 31 no PDB 2RN2 . "Structural Details Of Ribonuclease H From Escherichia Coli As Refined To An Atomic Resolution" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 32 no PDB 3AA2 . "A52i E. Coli Rnase Hi" . . . . . 100.00 155 99.35 99.35 1.85e-110 . . . . 1657 1 33 no PDB 3AA3 . "A52l E. Coli Rnase Hi" . . . . . 100.00 155 99.35 99.35 2.11e-110 . . . . 1657 1 34 no PDB 3AA4 . "A52v E.Coli Rnase Hi" . . . . . 100.00 155 99.35 99.35 1.09e-110 . . . . 1657 1 35 no PDB 3AA5 . "A52f E.Coli Rnase Hi" . . . . . 100.00 155 99.35 99.35 1.91e-110 . . . . 1657 1 36 no PDB 4Z0U . "Rnase Hi/ssb-ct Complex" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 37 no DBJ BAA77885 . "ribonuclease HI, degrades RNA of DNA-RNA hybrids [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 38 no DBJ BAB33633 . "RNase HI [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 39 no DBJ BAG75734 . "ribonuclease H [Escherichia coli SE11]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 40 no DBJ BAI23570 . "ribonuclease HI [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 41 no DBJ BAI29084 . "ribonuclease HI [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 155 99.35 100.00 1.12e-110 . . . . 1657 1 42 no EMBL CAA23620 . "ribonuclease H [Escherichia coli]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 43 no EMBL CAA27660 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 44 no EMBL CAP74778 . "ribonuclease HI [Escherichia coli LF82]" . . . . . 100.00 155 99.35 99.35 2.40e-110 . . . . 1657 1 45 no EMBL CAQ30729 . "RNase HI, degrades RNA of DNA-RNA hybrids, participates in DNA replication [Escherichia coli BL21(DE3)]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 46 no EMBL CAQ87812 . "ribonuclease HI, degrades RNA of DNA-RNA hybrids [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 47 no GB AAA24565 . "ribonuclease H [Escherichia coli]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 48 no GB AAB08636 . "ribonuclease H [Escherichia coli]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 49 no GB AAC73319 . "ribonuclease HI, degrades RNA of DNA-RNA hybrids [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 50 no GB AAG54510 . "RNase HI, degrades RNA of DNA-RNA hybrids, participates in DNA replication [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 51 no GB AAN41862 . "RNase HI [Shigella flexneri 2a str. 301]" . . . . . 100.00 192 100.00 100.00 8.65e-112 . . . . 1657 1 52 no REF NP_308237 . "ribonuclease H [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 53 no REF NP_414750 . "ribonuclease HI, degrades RNA of DNA-RNA hybrids [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 54 no REF NP_706155 . "RNase HI [Shigella flexneri 2a str. 301]" . . . . . 100.00 192 100.00 100.00 8.65e-112 . . . . 1657 1 55 no REF WP_000917867 . "ribonuclease H [Escherichia coli]" . . . . . 100.00 155 99.35 99.35 2.40e-110 . . . . 1657 1 56 no REF WP_000917875 . "hypothetical protein [Escherichia albertii]" . . . . . 100.00 155 99.35 100.00 6.61e-111 . . . . 1657 1 57 no SP A7ZHV1 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 58 no SP A7ZWF6 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 99.35 100.00 1.12e-110 . . . . 1657 1 59 no SP B1IPU4 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 60 no SP B1LHM3 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 61 no SP B1XD78 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 100.00 155 100.00 100.00 2.45e-111 . . . . 1657 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ribonuclease H' common 1657 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 . 1657 1 2 . LEU . 1657 1 3 . LYS . 1657 1 4 . GLN . 1657 1 5 . VAL . 1657 1 6 . GLU . 1657 1 7 . ILE . 1657 1 8 . PHE . 1657 1 9 . THR . 1657 1 10 . ASP . 1657 1 11 . GLY . 1657 1 12 . SER . 1657 1 13 . CYS . 1657 1 14 . LEU . 1657 1 15 . GLY . 1657 1 16 . ASN . 1657 1 17 . PRO . 1657 1 18 . GLY . 1657 1 19 . PRO . 1657 1 20 . GLY . 1657 1 21 . GLY . 1657 1 22 . TYR . 1657 1 23 . GLY . 1657 1 24 . ALA . 1657 1 25 . ILE . 1657 1 26 . LEU . 1657 1 27 . ARG . 1657 1 28 . TYR . 1657 1 29 . ARG . 1657 1 30 . GLY . 1657 1 31 . ARG . 1657 1 32 . GLU . 1657 1 33 . LYS . 1657 1 34 . THR . 1657 1 35 . PHE . 1657 1 36 . SER . 1657 1 37 . ALA . 1657 1 38 . GLY . 1657 1 39 . TYR . 1657 1 40 . THR . 1657 1 41 . ARG . 1657 1 42 . THR . 1657 1 43 . THR . 1657 1 44 . ASN . 1657 1 45 . ASN . 1657 1 46 . ARG . 1657 1 47 . MET . 1657 1 48 . GLU . 1657 1 49 . LEU . 1657 1 50 . MET . 1657 1 51 . ALA . 1657 1 52 . ALA . 1657 1 53 . ILE . 1657 1 54 . VAL . 1657 1 55 . ALA . 1657 1 56 . LEU . 1657 1 57 . GLU . 1657 1 58 . ALA . 1657 1 59 . LEU . 1657 1 60 . LYS . 1657 1 61 . GLU . 1657 1 62 . HIS . 1657 1 63 . CYS . 1657 1 64 . GLU . 1657 1 65 . VAL . 1657 1 66 . ILE . 1657 1 67 . LEU . 1657 1 68 . SER . 1657 1 69 . THR . 1657 1 70 . ASP . 1657 1 71 . SER . 1657 1 72 . GLN . 1657 1 73 . TYR . 1657 1 74 . VAL . 1657 1 75 . ARG . 1657 1 76 . GLN . 1657 1 77 . GLY . 1657 1 78 . ILE . 1657 1 79 . THR . 1657 1 80 . GLN . 1657 1 81 . TRP . 1657 1 82 . ILE . 1657 1 83 . HIS . 1657 1 84 . ASN . 1657 1 85 . TRP . 1657 1 86 . LYS . 1657 1 87 . LYS . 1657 1 88 . ARG . 1657 1 89 . GLY . 1657 1 90 . TRP . 1657 1 91 . LYS . 1657 1 92 . THR . 1657 1 93 . ALA . 1657 1 94 . ASP . 1657 1 95 . LYS . 1657 1 96 . LYS . 1657 1 97 . PRO . 1657 1 98 . VAL . 1657 1 99 . LYS . 1657 1 100 . ASN . 1657 1 101 . VAL . 1657 1 102 . ASP . 1657 1 103 . LEU . 1657 1 104 . TRP . 1657 1 105 . GLN . 1657 1 106 . ARG . 1657 1 107 . LEU . 1657 1 108 . ASP . 1657 1 109 . ALA . 1657 1 110 . ALA . 1657 1 111 . LEU . 1657 1 112 . GLY . 1657 1 113 . GLN . 1657 1 114 . HIS . 1657 1 115 . GLN . 1657 1 116 . ILE . 1657 1 117 . LYS . 1657 1 118 . TRP . 1657 1 119 . GLU . 1657 1 120 . TRP . 1657 1 121 . VAL . 1657 1 122 . LYS . 1657 1 123 . GLY . 1657 1 124 . HIS . 1657 1 125 . ALA . 1657 1 126 . GLY . 1657 1 127 . HIS . 1657 1 128 . PRO . 1657 1 129 . GLU . 1657 1 130 . ASN . 1657 1 131 . GLU . 1657 1 132 . ARG . 1657 1 133 . CYS . 1657 1 134 . ASP . 1657 1 135 . GLU . 1657 1 136 . LEU . 1657 1 137 . ALA . 1657 1 138 . ARG . 1657 1 139 . ALA . 1657 1 140 . ALA . 1657 1 141 . ALA . 1657 1 142 . MET . 1657 1 143 . ASN . 1657 1 144 . PRO . 1657 1 145 . THR . 1657 1 146 . LEU . 1657 1 147 . GLU . 1657 1 148 . ASP . 1657 1 149 . THR . 1657 1 150 . GLY . 1657 1 151 . TYR . 1657 1 152 . GLN . 1657 1 153 . VAL . 1657 1 154 . GLU . 1657 1 155 . VAL . 1657 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 1657 1 . LEU 2 2 1657 1 . LYS 3 3 1657 1 . GLN 4 4 1657 1 . VAL 5 5 1657 1 . GLU 6 6 1657 1 . ILE 7 7 1657 1 . PHE 8 8 1657 1 . THR 9 9 1657 1 . ASP 10 10 1657 1 . GLY 11 11 1657 1 . SER 12 12 1657 1 . CYS 13 13 1657 1 . LEU 14 14 1657 1 . GLY 15 15 1657 1 . ASN 16 16 1657 1 . PRO 17 17 1657 1 . GLY 18 18 1657 1 . PRO 19 19 1657 1 . GLY 20 20 1657 1 . GLY 21 21 1657 1 . TYR 22 22 1657 1 . GLY 23 23 1657 1 . ALA 24 24 1657 1 . ILE 25 25 1657 1 . LEU 26 26 1657 1 . ARG 27 27 1657 1 . TYR 28 28 1657 1 . ARG 29 29 1657 1 . GLY 30 30 1657 1 . ARG 31 31 1657 1 . GLU 32 32 1657 1 . LYS 33 33 1657 1 . THR 34 34 1657 1 . PHE 35 35 1657 1 . SER 36 36 1657 1 . ALA 37 37 1657 1 . GLY 38 38 1657 1 . TYR 39 39 1657 1 . THR 40 40 1657 1 . ARG 41 41 1657 1 . THR 42 42 1657 1 . THR 43 43 1657 1 . ASN 44 44 1657 1 . ASN 45 45 1657 1 . ARG 46 46 1657 1 . MET 47 47 1657 1 . GLU 48 48 1657 1 . LEU 49 49 1657 1 . MET 50 50 1657 1 . ALA 51 51 1657 1 . ALA 52 52 1657 1 . ILE 53 53 1657 1 . VAL 54 54 1657 1 . ALA 55 55 1657 1 . LEU 56 56 1657 1 . GLU 57 57 1657 1 . ALA 58 58 1657 1 . LEU 59 59 1657 1 . LYS 60 60 1657 1 . GLU 61 61 1657 1 . HIS 62 62 1657 1 . CYS 63 63 1657 1 . GLU 64 64 1657 1 . VAL 65 65 1657 1 . ILE 66 66 1657 1 . LEU 67 67 1657 1 . SER 68 68 1657 1 . THR 69 69 1657 1 . ASP 70 70 1657 1 . SER 71 71 1657 1 . GLN 72 72 1657 1 . TYR 73 73 1657 1 . VAL 74 74 1657 1 . ARG 75 75 1657 1 . GLN 76 76 1657 1 . GLY 77 77 1657 1 . ILE 78 78 1657 1 . THR 79 79 1657 1 . GLN 80 80 1657 1 . TRP 81 81 1657 1 . ILE 82 82 1657 1 . HIS 83 83 1657 1 . ASN 84 84 1657 1 . TRP 85 85 1657 1 . LYS 86 86 1657 1 . LYS 87 87 1657 1 . ARG 88 88 1657 1 . GLY 89 89 1657 1 . TRP 90 90 1657 1 . LYS 91 91 1657 1 . THR 92 92 1657 1 . ALA 93 93 1657 1 . ASP 94 94 1657 1 . LYS 95 95 1657 1 . LYS 96 96 1657 1 . PRO 97 97 1657 1 . VAL 98 98 1657 1 . LYS 99 99 1657 1 . ASN 100 100 1657 1 . VAL 101 101 1657 1 . ASP 102 102 1657 1 . LEU 103 103 1657 1 . TRP 104 104 1657 1 . GLN 105 105 1657 1 . ARG 106 106 1657 1 . LEU 107 107 1657 1 . ASP 108 108 1657 1 . ALA 109 109 1657 1 . ALA 110 110 1657 1 . LEU 111 111 1657 1 . GLY 112 112 1657 1 . GLN 113 113 1657 1 . HIS 114 114 1657 1 . GLN 115 115 1657 1 . ILE 116 116 1657 1 . LYS 117 117 1657 1 . TRP 118 118 1657 1 . GLU 119 119 1657 1 . TRP 120 120 1657 1 . VAL 121 121 1657 1 . LYS 122 122 1657 1 . GLY 123 123 1657 1 . HIS 124 124 1657 1 . ALA 125 125 1657 1 . GLY 126 126 1657 1 . HIS 127 127 1657 1 . PRO 128 128 1657 1 . GLU 129 129 1657 1 . ASN 130 130 1657 1 . GLU 131 131 1657 1 . ARG 132 132 1657 1 . CYS 133 133 1657 1 . ASP 134 134 1657 1 . GLU 135 135 1657 1 . LEU 136 136 1657 1 . ALA 137 137 1657 1 . ARG 138 138 1657 1 . ALA 139 139 1657 1 . ALA 140 140 1657 1 . ALA 141 141 1657 1 . MET 142 142 1657 1 . ASN 143 143 1657 1 . PRO 144 144 1657 1 . THR 145 145 1657 1 . LEU 146 146 1657 1 . GLU 147 147 1657 1 . ASP 148 148 1657 1 . THR 149 149 1657 1 . GLY 150 150 1657 1 . TYR 151 151 1657 1 . GLN 152 152 1657 1 . VAL 153 153 1657 1 . GLU 154 154 1657 1 . VAL 155 155 1657 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 1657 _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 $ribonuclease_H . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 1657 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 1657 _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 $ribonuclease_H . 'not available' 'Escherichia coli' . . . Escherichia coli N4839-1 . . . . . . . . . . . . . . . . . . . . . . 1657 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1657 _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 1657 _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 . na 1657 1 temperature 300 . K 1657 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 1657 _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 1657 _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' . . 1657 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 1657 _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 . . . . . . . . . . . . . . . . 1657 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 1657 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C . TMS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1657 1 H . TMS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1657 1 N . 'liquid ammonia' . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1657 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 1657 _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 . 1657 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 53.1 . . 1 . . . . . . . . 1657 1 2 . 1 1 1 1 MET HA H 1 4.17 . . 1 . . . . . . . . 1657 1 3 . 1 1 2 2 LEU H H 1 8.71 . . 1 . . . . . . . . 1657 1 4 . 1 1 2 2 LEU HA H 1 4.55 . . 1 . . . . . . . . 1657 1 5 . 1 1 2 2 LEU N N 15 125.1 . . 1 . . . . . . . . 1657 1 6 . 1 1 3 3 LYS H H 1 8.73 . . 1 . . . . . . . . 1657 1 7 . 1 1 3 3 LYS CA C 13 55.1 . . 1 . . . . . . . . 1657 1 8 . 1 1 3 3 LYS HA H 1 4.31 . . 1 . . . . . . . . 1657 1 9 . 1 1 3 3 LYS N N 15 123.8 . . 1 . . . . . . . . 1657 1 10 . 1 1 4 4 GLN H H 1 8.31 . . 1 . . . . . . . . 1657 1 11 . 1 1 4 4 GLN CA C 13 53.3 . . 1 . . . . . . . . 1657 1 12 . 1 1 4 4 GLN HA H 1 5.13 . . 1 . . . . . . . . 1657 1 13 . 1 1 4 4 GLN N N 15 122.8 . . 1 . . . . . . . . 1657 1 14 . 1 1 5 5 VAL H H 1 8.79 . . 1 . . . . . . . . 1657 1 15 . 1 1 5 5 VAL HA H 1 4.82 . . 1 . . . . . . . . 1657 1 16 . 1 1 5 5 VAL N N 15 121.8 . . 1 . . . . . . . . 1657 1 17 . 1 1 6 6 GLU H H 1 8.64 . . 1 . . . . . . . . 1657 1 18 . 1 1 6 6 GLU CA C 13 53.1 . . 1 . . . . . . . . 1657 1 19 . 1 1 6 6 GLU HA H 1 4.83 . . 1 . . . . . . . . 1657 1 20 . 1 1 6 6 GLU N N 15 124.1 . . 1 . . . . . . . . 1657 1 21 . 1 1 7 7 ILE H H 1 8.6 . . 1 . . . . . . . . 1657 1 22 . 1 1 7 7 ILE HA H 1 5.33 . . 1 . . . . . . . . 1657 1 23 . 1 1 7 7 ILE N N 15 121.8 . . 1 . . . . . . . . 1657 1 24 . 1 1 8 8 PHE H H 1 9.13 . . 1 . . . . . . . . 1657 1 25 . 1 1 8 8 PHE CA C 13 53.5 . . 1 . . . . . . . . 1657 1 26 . 1 1 8 8 PHE HA H 1 5.67 . . 1 . . . . . . . . 1657 1 27 . 1 1 8 8 PHE N N 15 128.2 . . 1 . . . . . . . . 1657 1 28 . 1 1 9 9 THR H H 1 8.05 . . 1 . . . . . . . . 1657 1 29 . 1 1 9 9 THR CA C 13 58.8 . . 1 . . . . . . . . 1657 1 30 . 1 1 9 9 THR HA H 1 5.61 . . 1 . . . . . . . . 1657 1 31 . 1 1 9 9 THR N N 15 109.5 . . 1 . . . . . . . . 1657 1 32 . 1 1 10 10 ASP H H 1 9.06 . . 1 . . . . . . . . 1657 1 33 . 1 1 10 10 ASP CA C 13 52.7 . . 1 . . . . . . . . 1657 1 34 . 1 1 10 10 ASP HA H 1 5.16 . . 1 . . . . . . . . 1657 1 35 . 1 1 10 10 ASP N N 15 120.2 . . 1 . . . . . . . . 1657 1 36 . 1 1 11 11 GLY H H 1 8.7 . . 1 . . . . . . . . 1657 1 37 . 1 1 11 11 GLY CA C 13 42.4 . . 1 . . . . . . . . 1657 1 38 . 1 1 11 11 GLY HA2 H 1 3.39 . . 2 . . . . . . . . 1657 1 39 . 1 1 11 11 GLY HA3 H 1 5.04 . . 2 . . . . . . . . 1657 1 40 . 1 1 11 11 GLY N N 15 106.7 . . 1 . . . . . . . . 1657 1 41 . 1 1 12 12 SER H H 1 8.8 . . 1 . . . . . . . . 1657 1 42 . 1 1 12 12 SER CA C 13 55.8 . . 1 . . . . . . . . 1657 1 43 . 1 1 12 12 SER HA H 1 4.78 . . 1 . . . . . . . . 1657 1 44 . 1 1 12 12 SER N N 15 113.5 . . 1 . . . . . . . . 1657 1 45 . 1 1 13 13 CYS H H 1 8.44 . . 1 . . . . . . . . 1657 1 46 . 1 1 13 13 CYS CA C 13 56.6 . . 1 . . . . . . . . 1657 1 47 . 1 1 13 13 CYS HA H 1 4.96 . . 1 . . . . . . . . 1657 1 48 . 1 1 13 13 CYS N N 15 123.2 . . 1 . . . . . . . . 1657 1 49 . 1 1 14 14 LEU H H 1 9.05 . . 1 . . . . . . . . 1657 1 50 . 1 1 14 14 LEU HA H 1 4.49 . . 1 . . . . . . . . 1657 1 51 . 1 1 14 14 LEU N N 15 128.3 . . 1 . . . . . . . . 1657 1 52 . 1 1 15 15 GLY H H 1 7.82 . . 1 . . . . . . . . 1657 1 53 . 1 1 15 15 GLY CA C 13 42.8 . . 1 . . . . . . . . 1657 1 54 . 1 1 15 15 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 1657 1 55 . 1 1 15 15 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 1657 1 56 . 1 1 15 15 GLY N N 15 107.6 . . 1 . . . . . . . . 1657 1 57 . 1 1 16 16 ASN H H 1 8.24 . . 1 . . . . . . . . 1657 1 58 . 1 1 16 16 ASN CA C 13 49.2 . . 1 . . . . . . . . 1657 1 59 . 1 1 16 16 ASN HA H 1 5.06 . . 1 . . . . . . . . 1657 1 60 . 1 1 16 16 ASN N N 15 116.2 . . 1 . . . . . . . . 1657 1 61 . 1 1 17 17 PRO CA C 13 61.3 . . 1 . . . . . . . . 1657 1 62 . 1 1 17 17 PRO HA H 1 4.92 . . 1 . . . . . . . . 1657 1 63 . 1 1 18 18 GLY H H 1 8.32 . . 1 . . . . . . . . 1657 1 64 . 1 1 18 18 GLY CA C 13 43.8 . . 1 . . . . . . . . 1657 1 65 . 1 1 18 18 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 1657 1 66 . 1 1 18 18 GLY HA3 H 1 4.3 . . 2 . . . . . . . . 1657 1 67 . 1 1 18 18 GLY N N 15 105.3 . . 1 . . . . . . . . 1657 1 68 . 1 1 19 19 PRO CA C 13 61.3 . . 1 . . . . . . . . 1657 1 69 . 1 1 19 19 PRO HA H 1 4.92 . . 1 . . . . . . . . 1657 1 70 . 1 1 20 20 GLY H H 1 8.96 . . 1 . . . . . . . . 1657 1 71 . 1 1 20 20 GLY CA C 13 43.8 . . 1 . . . . . . . . 1657 1 72 . 1 1 20 20 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 1657 1 73 . 1 1 20 20 GLY HA3 H 1 5.07 . . 2 . . . . . . . . 1657 1 74 . 1 1 20 20 GLY N N 15 108.4 . . 1 . . . . . . . . 1657 1 75 . 1 1 21 21 GLY H H 1 9.04 . . 1 . . . . . . . . 1657 1 76 . 1 1 21 21 GLY CA C 13 44.6 . . 1 . . . . . . . . 1657 1 77 . 1 1 21 21 GLY HA2 H 1 4.22 . . 2 . . . . . . . . 1657 1 78 . 1 1 21 21 GLY HA3 H 1 5.36 . . 2 . . . . . . . . 1657 1 79 . 1 1 21 21 GLY N N 15 106.5 . . 1 . . . . . . . . 1657 1 80 . 1 1 22 22 TYR H H 1 7.87 . . 1 . . . . . . . . 1657 1 81 . 1 1 22 22 TYR CA C 13 53.5 . . 1 . . . . . . . . 1657 1 82 . 1 1 22 22 TYR HA H 1 5.74 . . 1 . . . . . . . . 1657 1 83 . 1 1 22 22 TYR N N 15 113.3 . . 1 . . . . . . . . 1657 1 84 . 1 1 23 23 GLY H H 1 8.99 . . 1 . . . . . . . . 1657 1 85 . 1 1 23 23 GLY CA C 13 43.4 . . 1 . . . . . . . . 1657 1 86 . 1 1 23 23 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 1657 1 87 . 1 1 23 23 GLY HA3 H 1 5.17 . . 2 . . . . . . . . 1657 1 88 . 1 1 23 23 GLY N N 15 106.2 . . 1 . . . . . . . . 1657 1 89 . 1 1 24 24 ALA H H 1 9.52 . . 1 . . . . . . . . 1657 1 90 . 1 1 24 24 ALA CA C 13 49.2 . . 1 . . . . . . . . 1657 1 91 . 1 1 24 24 ALA HA H 1 5.89 . . 1 . . . . . . . . 1657 1 92 . 1 1 24 24 ALA N N 15 126 . . 1 . . . . . . . . 1657 1 93 . 1 1 25 25 ILE H H 1 9.04 . . 1 . . . . . . . . 1657 1 94 . 1 1 25 25 ILE HA H 1 4.88 . . 1 . . . . . . . . 1657 1 95 . 1 1 25 25 ILE N N 15 120.7 . . 1 . . . . . . . . 1657 1 96 . 1 1 26 26 LEU H H 1 9.21 . . 1 . . . . . . . . 1657 1 97 . 1 1 26 26 LEU HA H 1 5.29 . . 1 . . . . . . . . 1657 1 98 . 1 1 26 26 LEU N N 15 129.2 . . 1 . . . . . . . . 1657 1 99 . 1 1 27 27 ARG H H 1 9.98 . . 1 . . . . . . . . 1657 1 100 . 1 1 27 27 ARG CA C 13 53.1 . . 1 . . . . . . . . 1657 1 101 . 1 1 27 27 ARG HA H 1 5.47 . . 1 . . . . . . . . 1657 1 102 . 1 1 27 27 ARG N N 15 127.1 . . 1 . . . . . . . . 1657 1 103 . 1 1 28 28 TYR H H 1 8.59 . . 1 . . . . . . . . 1657 1 104 . 1 1 28 28 TYR CA C 13 54.7 . . 1 . . . . . . . . 1657 1 105 . 1 1 28 28 TYR HA H 1 5.06 . . 1 . . . . . . . . 1657 1 106 . 1 1 28 28 TYR N N 15 125.2 . . 1 . . . . . . . . 1657 1 107 . 1 1 29 29 ARG H H 1 9.37 . . 1 . . . . . . . . 1657 1 108 . 1 1 29 29 ARG CA C 13 55.1 . . 1 . . . . . . . . 1657 1 109 . 1 1 29 29 ARG HA H 1 3.78 . . 1 . . . . . . . . 1657 1 110 . 1 1 29 29 ARG N N 15 126.7 . . 1 . . . . . . . . 1657 1 111 . 1 1 30 30 GLY H H 1 8.72 . . 1 . . . . . . . . 1657 1 112 . 1 1 30 30 GLY CA C 13 43.6 . . 1 . . . . . . . . 1657 1 113 . 1 1 30 30 GLY HA2 H 1 3.61 . . 2 . . . . . . . . 1657 1 114 . 1 1 30 30 GLY HA3 H 1 4.14 . . 2 . . . . . . . . 1657 1 115 . 1 1 30 30 GLY N N 15 104.9 . . 1 . . . . . . . . 1657 1 116 . 1 1 31 31 ARG H H 1 7.95 . . 1 . . . . . . . . 1657 1 117 . 1 1 31 31 ARG CA C 13 52.9 . . 1 . . . . . . . . 1657 1 118 . 1 1 31 31 ARG HA H 1 4.69 . . 1 . . . . . . . . 1657 1 119 . 1 1 31 31 ARG N N 15 121 . . 1 . . . . . . . . 1657 1 120 . 1 1 32 32 GLU H H 1 8.76 . . 1 . . . . . . . . 1657 1 121 . 1 1 32 32 GLU CA C 13 53.1 . . 1 . . . . . . . . 1657 1 122 . 1 1 32 32 GLU HA H 1 5.43 . . 1 . . . . . . . . 1657 1 123 . 1 1 32 32 GLU N N 15 122.7 . . 1 . . . . . . . . 1657 1 124 . 1 1 33 33 LYS H H 1 9.21 . . 1 . . . . . . . . 1657 1 125 . 1 1 33 33 LYS CA C 13 53.1 . . 1 . . . . . . . . 1657 1 126 . 1 1 33 33 LYS HA H 1 4.67 . . 1 . . . . . . . . 1657 1 127 . 1 1 33 33 LYS N N 15 125 . . 1 . . . . . . . . 1657 1 128 . 1 1 34 34 THR H H 1 8.14 . . 1 . . . . . . . . 1657 1 129 . 1 1 34 34 THR CA C 13 58.2 . . 1 . . . . . . . . 1657 1 130 . 1 1 34 34 THR HA H 1 5.32 . . 1 . . . . . . . . 1657 1 131 . 1 1 34 34 THR N N 15 114.5 . . 1 . . . . . . . . 1657 1 132 . 1 1 35 35 PHE H H 1 9.31 . . 1 . . . . . . . . 1657 1 133 . 1 1 35 35 PHE CA C 13 54.5 . . 1 . . . . . . . . 1657 1 134 . 1 1 35 35 PHE HA H 1 4.99 . . 1 . . . . . . . . 1657 1 135 . 1 1 35 35 PHE N N 15 120.6 . . 1 . . . . . . . . 1657 1 136 . 1 1 36 36 SER H H 1 8.4 . . 1 . . . . . . . . 1657 1 137 . 1 1 36 36 SER CA C 13 56.2 . . 1 . . . . . . . . 1657 1 138 . 1 1 36 36 SER HA H 1 4.58 . . 1 . . . . . . . . 1657 1 139 . 1 1 36 36 SER N N 15 113.9 . . 1 . . . . . . . . 1657 1 140 . 1 1 37 37 ALA H H 1 6.37 . . 1 . . . . . . . . 1657 1 141 . 1 1 37 37 ALA CA C 13 50.2 . . 1 . . . . . . . . 1657 1 142 . 1 1 37 37 ALA HA H 1 4.25 . . 1 . . . . . . . . 1657 1 143 . 1 1 37 37 ALA N N 15 120.8 . . 1 . . . . . . . . 1657 1 144 . 1 1 38 38 GLY H H 1 8.58 . . 1 . . . . . . . . 1657 1 145 . 1 1 38 38 GLY CA C 13 42.2 . . 1 . . . . . . . . 1657 1 146 . 1 1 38 38 GLY HA2 H 1 3.49 . . 2 . . . . . . . . 1657 1 147 . 1 1 38 38 GLY HA3 H 1 5.36 . . 2 . . . . . . . . 1657 1 148 . 1 1 38 38 GLY N N 15 106.2 . . 1 . . . . . . . . 1657 1 149 . 1 1 39 39 TYR H H 1 9.69 . . 1 . . . . . . . . 1657 1 150 . 1 1 39 39 TYR CA C 13 53.9 . . 1 . . . . . . . . 1657 1 151 . 1 1 39 39 TYR HA H 1 5.47 . . 1 . . . . . . . . 1657 1 152 . 1 1 39 39 TYR N N 15 122.8 . . 1 . . . . . . . . 1657 1 153 . 1 1 40 40 THR H H 1 8.81 . . 1 . . . . . . . . 1657 1 154 . 1 1 40 40 THR CA C 13 63.6 . . 1 . . . . . . . . 1657 1 155 . 1 1 40 40 THR HA H 1 3.73 . . 1 . . . . . . . . 1657 1 156 . 1 1 40 40 THR N N 15 113.5 . . 1 . . . . . . . . 1657 1 157 . 1 1 41 41 ARG H H 1 7.77 . . 1 . . . . . . . . 1657 1 158 . 1 1 41 41 ARG CA C 13 55.1 . . 1 . . . . . . . . 1657 1 159 . 1 1 41 41 ARG HA H 1 3.88 . . 1 . . . . . . . . 1657 1 160 . 1 1 41 41 ARG N N 15 119.9 . . 1 . . . . . . . . 1657 1 161 . 1 1 42 42 THR H H 1 8.85 . . 1 . . . . . . . . 1657 1 162 . 1 1 42 42 THR CA C 13 58 . . 1 . . . . . . . . 1657 1 163 . 1 1 42 42 THR HA H 1 4.08 . . 1 . . . . . . . . 1657 1 164 . 1 1 42 42 THR N N 15 125 . . 1 . . . . . . . . 1657 1 165 . 1 1 43 43 THR H H 1 8.53 . . 1 . . . . . . . . 1657 1 166 . 1 1 43 43 THR CA C 13 57 . . 1 . . . . . . . . 1657 1 167 . 1 1 43 43 THR HA H 1 5.28 . . 1 . . . . . . . . 1657 1 168 . 1 1 43 43 THR N N 15 106.5 . . 1 . . . . . . . . 1657 1 169 . 1 1 44 44 ASN H H 1 9.19 . . 1 . . . . . . . . 1657 1 170 . 1 1 44 44 ASN CA C 13 56 . . 1 . . . . . . . . 1657 1 171 . 1 1 44 44 ASN HA H 1 3.92 . . 1 . . . . . . . . 1657 1 172 . 1 1 44 44 ASN N N 15 120.6 . . 1 . . . . . . . . 1657 1 173 . 1 1 45 45 ASN H H 1 8.56 . . 1 . . . . . . . . 1657 1 174 . 1 1 45 45 ASN CA C 13 53.9 . . 1 . . . . . . . . 1657 1 175 . 1 1 45 45 ASN HA H 1 4.03 . . 1 . . . . . . . . 1657 1 176 . 1 1 45 45 ASN N N 15 116.3 . . 1 . . . . . . . . 1657 1 177 . 1 1 46 46 ARG H H 1 7.38 . . 1 . . . . . . . . 1657 1 178 . 1 1 46 46 ARG CA C 13 59 . . 1 . . . . . . . . 1657 1 179 . 1 1 46 46 ARG HA H 1 3.58 . . 1 . . . . . . . . 1657 1 180 . 1 1 46 46 ARG N N 15 116.5 . . 1 . . . . . . . . 1657 1 181 . 1 1 47 47 MET H H 1 7.71 . . 1 . . . . . . . . 1657 1 182 . 1 1 47 47 MET CA C 13 55.5 . . 1 . . . . . . . . 1657 1 183 . 1 1 47 47 MET HA H 1 4.44 . . 1 . . . . . . . . 1657 1 184 . 1 1 47 47 MET N N 15 118.2 . . 1 . . . . . . . . 1657 1 185 . 1 1 48 48 GLU H H 1 8.44 . . 1 . . . . . . . . 1657 1 186 . 1 1 48 48 GLU CA C 13 57.8 . . 1 . . . . . . . . 1657 1 187 . 1 1 48 48 GLU HA H 1 3.86 . . 1 . . . . . . . . 1657 1 188 . 1 1 48 48 GLU N N 15 119.3 . . 1 . . . . . . . . 1657 1 189 . 1 1 49 49 LEU H H 1 7.24 . . 1 . . . . . . . . 1657 1 190 . 1 1 49 49 LEU HA H 1 3.96 . . 1 . . . . . . . . 1657 1 191 . 1 1 49 49 LEU N N 15 116.1 . . 1 . . . . . . . . 1657 1 192 . 1 1 50 50 MET H H 1 8.69 . . 1 . . . . . . . . 1657 1 193 . 1 1 50 50 MET CA C 13 55.5 . . 1 . . . . . . . . 1657 1 194 . 1 1 50 50 MET HA H 1 3.93 . . 1 . . . . . . . . 1657 1 195 . 1 1 50 50 MET N N 15 118.7 . . 1 . . . . . . . . 1657 1 196 . 1 1 51 51 ALA H H 1 7.72 . . 1 . . . . . . . . 1657 1 197 . 1 1 51 51 ALA CA C 13 53.3 . . 1 . . . . . . . . 1657 1 198 . 1 1 51 51 ALA HA H 1 3.31 . . 1 . . . . . . . . 1657 1 199 . 1 1 51 51 ALA N N 15 117 . . 1 . . . . . . . . 1657 1 200 . 1 1 52 52 ALA H H 1 6.47 . . 1 . . . . . . . . 1657 1 201 . 1 1 52 52 ALA CA C 13 52.7 . . 1 . . . . . . . . 1657 1 202 . 1 1 52 52 ALA HA H 1 3.99 . . 1 . . . . . . . . 1657 1 203 . 1 1 52 52 ALA N N 15 113.7 . . 1 . . . . . . . . 1657 1 204 . 1 1 53 53 ILE H H 1 7.94 . . 1 . . . . . . . . 1657 1 205 . 1 1 53 53 ILE HA H 1 3.13 . . 1 . . . . . . . . 1657 1 206 . 1 1 53 53 ILE N N 15 116.5 . . 1 . . . . . . . . 1657 1 207 . 1 1 54 54 VAL H H 1 8.25 . . 1 . . . . . . . . 1657 1 208 . 1 1 54 54 VAL HA H 1 3.3 . . 1 . . . . . . . . 1657 1 209 . 1 1 54 54 VAL N N 15 116.5 . . 1 . . . . . . . . 1657 1 210 . 1 1 55 55 ALA H H 1 6.85 . . 1 . . . . . . . . 1657 1 211 . 1 1 55 55 ALA CA C 13 52.7 . . 1 . . . . . . . . 1657 1 212 . 1 1 55 55 ALA HA H 1 3.34 . . 1 . . . . . . . . 1657 1 213 . 1 1 55 55 ALA N N 15 119.4 . . 1 . . . . . . . . 1657 1 214 . 1 1 56 56 LEU H H 1 7.57 . . 1 . . . . . . . . 1657 1 215 . 1 1 56 56 LEU HA H 1 3.76 . . 1 . . . . . . . . 1657 1 216 . 1 1 56 56 LEU N N 15 112.8 . . 1 . . . . . . . . 1657 1 217 . 1 1 57 57 GLU H H 1 8.75 . . 1 . . . . . . . . 1657 1 218 . 1 1 57 57 GLU CA C 13 56.6 . . 1 . . . . . . . . 1657 1 219 . 1 1 57 57 GLU HA H 1 3.94 . . 1 . . . . . . . . 1657 1 220 . 1 1 57 57 GLU N N 15 118.4 . . 1 . . . . . . . . 1657 1 221 . 1 1 58 58 ALA H H 1 7.1 . . 1 . . . . . . . . 1657 1 222 . 1 1 58 58 ALA CA C 13 51.2 . . 1 . . . . . . . . 1657 1 223 . 1 1 58 58 ALA HA H 1 4.11 . . 1 . . . . . . . . 1657 1 224 . 1 1 58 58 ALA N N 15 119.6 . . 1 . . . . . . . . 1657 1 225 . 1 1 59 59 LEU H H 1 7.15 . . 1 . . . . . . . . 1657 1 226 . 1 1 59 59 LEU HA H 1 4.26 . . 1 . . . . . . . . 1657 1 227 . 1 1 59 59 LEU N N 15 118.4 . . 1 . . . . . . . . 1657 1 228 . 1 1 60 60 LYS H H 1 8.59 . . 1 . . . . . . . . 1657 1 229 . 1 1 60 60 LYS CA C 13 53.9 . . 1 . . . . . . . . 1657 1 230 . 1 1 60 60 LYS HA H 1 4.38 . . 1 . . . . . . . . 1657 1 231 . 1 1 60 60 LYS N N 15 121.8 . . 1 . . . . . . . . 1657 1 232 . 1 1 61 61 GLU H H 1 7.66 . . 1 . . . . . . . . 1657 1 233 . 1 1 61 61 GLU CA C 13 52.2 . . 1 . . . . . . . . 1657 1 234 . 1 1 61 61 GLU HA H 1 4.48 . . 1 . . . . . . . . 1657 1 235 . 1 1 61 61 GLU N N 15 116.4 . . 1 . . . . . . . . 1657 1 236 . 1 1 62 62 HIS H H 1 8.46 . . 1 . . . . . . . . 1657 1 237 . 1 1 62 62 HIS HA H 1 4.77 . . 1 . . . . . . . . 1657 1 238 . 1 1 62 62 HIS N N 15 119.2 . . 1 . . . . . . . . 1657 1 239 . 1 1 63 63 CYS CA C 13 57 . . 1 . . . . . . . . 1657 1 240 . 1 1 63 63 CYS HA H 1 5.12 . . 1 . . . . . . . . 1657 1 241 . 1 1 64 64 GLU H H 1 8.75 . . 1 . . . . . . . . 1657 1 242 . 1 1 64 64 GLU CA C 13 53.7 . . 1 . . . . . . . . 1657 1 243 . 1 1 64 64 GLU HA H 1 5.02 . . 1 . . . . . . . . 1657 1 244 . 1 1 64 64 GLU N N 15 122.6 . . 1 . . . . . . . . 1657 1 245 . 1 1 65 65 VAL H H 1 8.82 . . 1 . . . . . . . . 1657 1 246 . 1 1 65 65 VAL HA H 1 4.7 . . 1 . . . . . . . . 1657 1 247 . 1 1 65 65 VAL N N 15 125.6 . . 1 . . . . . . . . 1657 1 248 . 1 1 66 66 ILE H H 1 8.25 . . 1 . . . . . . . . 1657 1 249 . 1 1 66 66 ILE HA H 1 4.75 . . 1 . . . . . . . . 1657 1 250 . 1 1 66 66 ILE N N 15 127.4 . . 1 . . . . . . . . 1657 1 251 . 1 1 67 67 LEU H H 1 8.57 . . 1 . . . . . . . . 1657 1 252 . 1 1 67 67 LEU HA H 1 4.7 . . 1 . . . . . . . . 1657 1 253 . 1 1 67 67 LEU N N 15 134.5 . . 1 . . . . . . . . 1657 1 254 . 1 1 68 68 SER H H 1 8.72 . . 1 . . . . . . . . 1657 1 255 . 1 1 68 68 SER CA C 13 54.5 . . 1 . . . . . . . . 1657 1 256 . 1 1 68 68 SER HA H 1 5.73 . . 1 . . . . . . . . 1657 1 257 . 1 1 68 68 SER N N 15 120.8 . . 1 . . . . . . . . 1657 1 258 . 1 1 69 69 THR H H 1 8.5 . . 1 . . . . . . . . 1657 1 259 . 1 1 69 69 THR CA C 13 58.6 . . 1 . . . . . . . . 1657 1 260 . 1 1 69 69 THR HA H 1 5.11 . . 1 . . . . . . . . 1657 1 261 . 1 1 69 69 THR N N 15 119.7 . . 1 . . . . . . . . 1657 1 262 . 1 1 70 70 ASP H H 1 8.94 . . 1 . . . . . . . . 1657 1 263 . 1 1 70 70 ASP CA C 13 51.2 . . 1 . . . . . . . . 1657 1 264 . 1 1 70 70 ASP HA H 1 5.45 . . 1 . . . . . . . . 1657 1 265 . 1 1 70 70 ASP N N 15 127.7 . . 1 . . . . . . . . 1657 1 266 . 1 1 71 71 SER H H 1 8.31 . . 1 . . . . . . . . 1657 1 267 . 1 1 71 71 SER CA C 13 56.8 . . 1 . . . . . . . . 1657 1 268 . 1 1 71 71 SER HA H 1 4.52 . . 1 . . . . . . . . 1657 1 269 . 1 1 71 71 SER N N 15 115.5 . . 1 . . . . . . . . 1657 1 270 . 1 1 72 72 GLN H H 1 9.37 . . 1 . . . . . . . . 1657 1 271 . 1 1 72 72 GLN CA C 13 56.2 . . 1 . . . . . . . . 1657 1 272 . 1 1 72 72 GLN HA H 1 3.98 . . 1 . . . . . . . . 1657 1 273 . 1 1 72 72 GLN N N 15 132.8 . . 1 . . . . . . . . 1657 1 274 . 1 1 73 73 TYR H H 1 8.72 . . 1 . . . . . . . . 1657 1 275 . 1 1 73 73 TYR CA C 13 59.3 . . 1 . . . . . . . . 1657 1 276 . 1 1 73 73 TYR HA H 1 4.48 . . 1 . . . . . . . . 1657 1 277 . 1 1 73 73 TYR N N 15 123.6 . . 1 . . . . . . . . 1657 1 278 . 1 1 74 74 VAL H H 1 8.06 . . 1 . . . . . . . . 1657 1 279 . 1 1 74 74 VAL HA H 1 3.6 . . 1 . . . . . . . . 1657 1 280 . 1 1 74 74 VAL N N 15 117.4 . . 1 . . . . . . . . 1657 1 281 . 1 1 75 75 ARG H H 1 7.08 . . 1 . . . . . . . . 1657 1 282 . 1 1 75 75 ARG CA C 13 57.4 . . 1 . . . . . . . . 1657 1 283 . 1 1 75 75 ARG HA H 1 2.52 . . 1 . . . . . . . . 1657 1 284 . 1 1 75 75 ARG N N 15 117.7 . . 1 . . . . . . . . 1657 1 285 . 1 1 76 76 GLN H H 1 8.22 . . 1 . . . . . . . . 1657 1 286 . 1 1 76 76 GLN CA C 13 57 . . 1 . . . . . . . . 1657 1 287 . 1 1 76 76 GLN HA H 1 3.15 . . 1 . . . . . . . . 1657 1 288 . 1 1 76 76 GLN N N 15 120.6 . . 1 . . . . . . . . 1657 1 289 . 1 1 77 77 GLY H H 1 7.82 . . 1 . . . . . . . . 1657 1 290 . 1 1 77 77 GLY CA C 13 46.1 . . 1 . . . . . . . . 1657 1 291 . 1 1 77 77 GLY HA2 H 1 3.14 . . 2 . . . . . . . . 1657 1 292 . 1 1 77 77 GLY HA3 H 1 3.75 . . 2 . . . . . . . . 1657 1 293 . 1 1 77 77 GLY N N 15 107.1 . . 1 . . . . . . . . 1657 1 294 . 1 1 78 78 ILE H H 1 8.4 . . 1 . . . . . . . . 1657 1 295 . 1 1 78 78 ILE HA H 1 3.73 . . 1 . . . . . . . . 1657 1 296 . 1 1 78 78 ILE N N 15 119.9 . . 1 . . . . . . . . 1657 1 297 . 1 1 79 79 THR H H 1 7.8 . . 1 . . . . . . . . 1657 1 298 . 1 1 79 79 THR CA C 13 62.1 . . 1 . . . . . . . . 1657 1 299 . 1 1 79 79 THR HA H 1 4.11 . . 1 . . . . . . . . 1657 1 300 . 1 1 79 79 THR N N 15 107.4 . . 1 . . . . . . . . 1657 1 301 . 1 1 80 80 GLN H H 1 7.53 . . 1 . . . . . . . . 1657 1 302 . 1 1 80 80 GLN CA C 13 55.1 . . 1 . . . . . . . . 1657 1 303 . 1 1 80 80 GLN HA H 1 4.47 . . 1 . . . . . . . . 1657 1 304 . 1 1 80 80 GLN N N 15 117.3 . . 1 . . . . . . . . 1657 1 305 . 1 1 81 81 TRP H H 1 7.1 . . 1 . . . . . . . . 1657 1 306 . 1 1 81 81 TRP CA C 13 55.8 . . 1 . . . . . . . . 1657 1 307 . 1 1 81 81 TRP HA H 1 4.28 . . 1 . . . . . . . . 1657 1 308 . 1 1 81 81 TRP N N 15 118.2 . . 1 . . . . . . . . 1657 1 309 . 1 1 82 82 ILE H H 1 8.48 . . 1 . . . . . . . . 1657 1 310 . 1 1 82 82 ILE HA H 1 3.49 . . 1 . . . . . . . . 1657 1 311 . 1 1 82 82 ILE N N 15 117.9 . . 1 . . . . . . . . 1657 1 312 . 1 1 83 83 HIS H H 1 7.93 . . 1 . . . . . . . . 1657 1 313 . 1 1 83 83 HIS HA H 1 4.13 . . 1 . . . . . . . . 1657 1 314 . 1 1 83 83 HIS N N 15 118.4 . . 1 . . . . . . . . 1657 1 315 . 1 1 84 84 ASN H H 1 7.44 . . 1 . . . . . . . . 1657 1 316 . 1 1 84 84 ASN CA C 13 53.5 . . 1 . . . . . . . . 1657 1 317 . 1 1 84 84 ASN HA H 1 4.38 . . 1 . . . . . . . . 1657 1 318 . 1 1 84 84 ASN N N 15 117.7 . . 1 . . . . . . . . 1657 1 319 . 1 1 85 85 TRP H H 1 8.2 . . 1 . . . . . . . . 1657 1 320 . 1 1 85 85 TRP CA C 13 55.8 . . 1 . . . . . . . . 1657 1 321 . 1 1 85 85 TRP HA H 1 4.38 . . 1 . . . . . . . . 1657 1 322 . 1 1 85 85 TRP N N 15 120.3 . . 1 . . . . . . . . 1657 1 323 . 1 1 86 86 LYS H H 1 8.12 . . 1 . . . . . . . . 1657 1 324 . 1 1 86 86 LYS CA C 13 58.2 . . 1 . . . . . . . . 1657 1 325 . 1 1 86 86 LYS HA H 1 2.7 . . 1 . . . . . . . . 1657 1 326 . 1 1 86 86 LYS N N 15 119 . . 1 . . . . . . . . 1657 1 327 . 1 1 87 87 LYS H H 1 7.36 . . 1 . . . . . . . . 1657 1 328 . 1 1 87 87 LYS CA C 13 56.6 . . 1 . . . . . . . . 1657 1 329 . 1 1 87 87 LYS HA H 1 4.09 . . 1 . . . . . . . . 1657 1 330 . 1 1 87 87 LYS N N 15 119 . . 1 . . . . . . . . 1657 1 331 . 1 1 88 88 ARG H H 1 7.24 . . 1 . . . . . . . . 1657 1 332 . 1 1 88 88 ARG CA C 13 53.1 . . 1 . . . . . . . . 1657 1 333 . 1 1 88 88 ARG HA H 1 4.48 . . 1 . . . . . . . . 1657 1 334 . 1 1 88 88 ARG N N 15 116.3 . . 1 . . . . . . . . 1657 1 335 . 1 1 89 89 GLY H H 1 7.78 . . 1 . . . . . . . . 1657 1 336 . 1 1 89 89 GLY CA C 13 45.3 . . 1 . . . . . . . . 1657 1 337 . 1 1 89 89 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 1657 1 338 . 1 1 89 89 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 1657 1 339 . 1 1 89 89 GLY N N 15 108.7 . . 1 . . . . . . . . 1657 1 340 . 1 1 90 90 TRP H H 1 8.56 . . 1 . . . . . . . . 1657 1 341 . 1 1 90 90 TRP CA C 13 56.2 . . 1 . . . . . . . . 1657 1 342 . 1 1 90 90 TRP HA H 1 3.42 . . 1 . . . . . . . . 1657 1 343 . 1 1 90 90 TRP N N 15 112.8 . . 1 . . . . . . . . 1657 1 344 . 1 1 91 91 LYS H H 1 6.82 . . 1 . . . . . . . . 1657 1 345 . 1 1 91 91 LYS CA C 13 52 . . 1 . . . . . . . . 1657 1 346 . 1 1 91 91 LYS HA H 1 5.05 . . 1 . . . . . . . . 1657 1 347 . 1 1 91 91 LYS N N 15 116.7 . . 1 . . . . . . . . 1657 1 348 . 1 1 92 92 THR H H 1 8.9 . . 1 . . . . . . . . 1657 1 349 . 1 1 92 92 THR CA C 13 59 . . 1 . . . . . . . . 1657 1 350 . 1 1 92 92 THR HA H 1 4.38 . . 1 . . . . . . . . 1657 1 351 . 1 1 92 92 THR N N 15 109.6 . . 1 . . . . . . . . 1657 1 352 . 1 1 93 93 ALA H H 1 9.1 . . 1 . . . . . . . . 1657 1 353 . 1 1 93 93 ALA CA C 13 53.1 . . 1 . . . . . . . . 1657 1 354 . 1 1 93 93 ALA HA H 1 4.07 . . 1 . . . . . . . . 1657 1 355 . 1 1 93 93 ALA N N 15 123.6 . . 1 . . . . . . . . 1657 1 356 . 1 1 94 94 ASP H H 1 8 . . 1 . . . . . . . . 1657 1 357 . 1 1 94 94 ASP CA C 13 51.2 . . 1 . . . . . . . . 1657 1 358 . 1 1 94 94 ASP HA H 1 4.64 . . 1 . . . . . . . . 1657 1 359 . 1 1 94 94 ASP N N 15 114 . . 1 . . . . . . . . 1657 1 360 . 1 1 95 95 LYS H H 1 8.06 . . 1 . . . . . . . . 1657 1 361 . 1 1 95 95 LYS CA C 13 55.8 . . 1 . . . . . . . . 1657 1 362 . 1 1 95 95 LYS HA H 1 3.67 . . 1 . . . . . . . . 1657 1 363 . 1 1 95 95 LYS N N 15 112.5 . . 1 . . . . . . . . 1657 1 364 . 1 1 96 96 LYS H H 1 7.62 . . 1 . . . . . . . . 1657 1 365 . 1 1 96 96 LYS CA C 13 51.6 . . 1 . . . . . . . . 1657 1 366 . 1 1 96 96 LYS HA H 1 4.72 . . 1 . . . . . . . . 1657 1 367 . 1 1 96 96 LYS N N 15 119.8 . . 1 . . . . . . . . 1657 1 368 . 1 1 97 97 PRO CA C 13 60.9 . . 1 . . . . . . . . 1657 1 369 . 1 1 97 97 PRO HA H 1 4.61 . . 1 . . . . . . . . 1657 1 370 . 1 1 98 98 VAL H H 1 7.57 . . 1 . . . . . . . . 1657 1 371 . 1 1 98 98 VAL HA H 1 3.44 . . 1 . . . . . . . . 1657 1 372 . 1 1 98 98 VAL N N 15 120.7 . . 1 . . . . . . . . 1657 1 373 . 1 1 99 99 LYS H H 1 8.29 . . 1 . . . . . . . . 1657 1 374 . 1 1 99 99 LYS CA C 13 55.5 . . 1 . . . . . . . . 1657 1 375 . 1 1 99 99 LYS HA H 1 4.05 . . 1 . . . . . . . . 1657 1 376 . 1 1 99 99 LYS N N 15 127.9 . . 1 . . . . . . . . 1657 1 377 . 1 1 100 100 ASN H H 1 9.45 . . 1 . . . . . . . . 1657 1 378 . 1 1 100 100 ASN CA C 13 53.1 . . 1 . . . . . . . . 1657 1 379 . 1 1 100 100 ASN HA H 1 4.28 . . 1 . . . . . . . . 1657 1 380 . 1 1 100 100 ASN N N 15 115.8 . . 1 . . . . . . . . 1657 1 381 . 1 1 101 101 VAL H H 1 7.65 . . 1 . . . . . . . . 1657 1 382 . 1 1 101 101 VAL HA H 1 3.6 . . 1 . . . . . . . . 1657 1 383 . 1 1 101 101 VAL N N 15 119 . . 1 . . . . . . . . 1657 1 384 . 1 1 102 102 ASP H H 1 8.59 . . 1 . . . . . . . . 1657 1 385 . 1 1 102 102 ASP CA C 13 54.3 . . 1 . . . . . . . . 1657 1 386 . 1 1 102 102 ASP HA H 1 4.09 . . 1 . . . . . . . . 1657 1 387 . 1 1 102 102 ASP N N 15 119 . . 1 . . . . . . . . 1657 1 388 . 1 1 103 103 LEU H H 1 7.28 . . 1 . . . . . . . . 1657 1 389 . 1 1 103 103 LEU HA H 1 4.16 . . 1 . . . . . . . . 1657 1 390 . 1 1 103 103 LEU N N 15 118.6 . . 1 . . . . . . . . 1657 1 391 . 1 1 104 104 TRP H H 1 8.55 . . 1 . . . . . . . . 1657 1 392 . 1 1 104 104 TRP CA C 13 59.3 . . 1 . . . . . . . . 1657 1 393 . 1 1 104 104 TRP HA H 1 4.56 . . 1 . . . . . . . . 1657 1 394 . 1 1 104 104 TRP N N 15 121 . . 1 . . . . . . . . 1657 1 395 . 1 1 105 105 GLN H H 1 8.42 . . 1 . . . . . . . . 1657 1 396 . 1 1 105 105 GLN CA C 13 57.4 . . 1 . . . . . . . . 1657 1 397 . 1 1 105 105 GLN HA H 1 3.66 . . 1 . . . . . . . . 1657 1 398 . 1 1 105 105 GLN N N 15 115.8 . . 1 . . . . . . . . 1657 1 399 . 1 1 106 106 ARG H H 1 7.02 . . 1 . . . . . . . . 1657 1 400 . 1 1 106 106 ARG CA C 13 57.4 . . 1 . . . . . . . . 1657 1 401 . 1 1 106 106 ARG HA H 1 4.18 . . 1 . . . . . . . . 1657 1 402 . 1 1 106 106 ARG N N 15 121 . . 1 . . . . . . . . 1657 1 403 . 1 1 107 107 LEU H H 1 8.76 . . 1 . . . . . . . . 1657 1 404 . 1 1 107 107 LEU HA H 1 4.12 . . 1 . . . . . . . . 1657 1 405 . 1 1 107 107 LEU N N 15 121.6 . . 1 . . . . . . . . 1657 1 406 . 1 1 108 108 ASP H H 1 8.76 . . 1 . . . . . . . . 1657 1 407 . 1 1 108 108 ASP CA C 13 56.6 . . 1 . . . . . . . . 1657 1 408 . 1 1 108 108 ASP HA H 1 4.56 . . 1 . . . . . . . . 1657 1 409 . 1 1 108 108 ASP N N 15 118.4 . . 1 . . . . . . . . 1657 1 410 . 1 1 109 109 ALA H H 1 7.88 . . 1 . . . . . . . . 1657 1 411 . 1 1 109 109 ALA CA C 13 52.9 . . 1 . . . . . . . . 1657 1 412 . 1 1 109 109 ALA HA H 1 4.2 . . 1 . . . . . . . . 1657 1 413 . 1 1 109 109 ALA N N 15 119.1 . . 1 . . . . . . . . 1657 1 414 . 1 1 110 110 ALA H H 1 7.67 . . 1 . . . . . . . . 1657 1 415 . 1 1 110 110 ALA CA C 13 52.7 . . 1 . . . . . . . . 1657 1 416 . 1 1 110 110 ALA HA H 1 4.3 . . 1 . . . . . . . . 1657 1 417 . 1 1 110 110 ALA N N 15 121 . . 1 . . . . . . . . 1657 1 418 . 1 1 111 111 LEU H H 1 8.68 . . 1 . . . . . . . . 1657 1 419 . 1 1 111 111 LEU HA H 1 4.1 . . 1 . . . . . . . . 1657 1 420 . 1 1 111 111 LEU N N 15 117.4 . . 1 . . . . . . . . 1657 1 421 . 1 1 112 112 GLY H H 1 7.54 . . 1 . . . . . . . . 1657 1 422 . 1 1 112 112 GLY CA C 13 44.4 . . 1 . . . . . . . . 1657 1 423 . 1 1 112 112 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 1657 1 424 . 1 1 112 112 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 1657 1 425 . 1 1 112 112 GLY N N 15 101.5 . . 1 . . . . . . . . 1657 1 426 . 1 1 113 113 GLN H H 1 7.52 . . 1 . . . . . . . . 1657 1 427 . 1 1 113 113 GLN CA C 13 53.5 . . 1 . . . . . . . . 1657 1 428 . 1 1 113 113 GLN HA H 1 4.27 . . 1 . . . . . . . . 1657 1 429 . 1 1 113 113 GLN N N 15 117.2 . . 1 . . . . . . . . 1657 1 430 . 1 1 114 114 HIS H H 1 7.37 . . 1 . . . . . . . . 1657 1 431 . 1 1 114 114 HIS HA H 1 5.04 . . 1 . . . . . . . . 1657 1 432 . 1 1 114 114 HIS N N 15 116.6 . . 1 . . . . . . . . 1657 1 433 . 1 1 115 115 GLN H H 1 8.48 . . 1 . . . . . . . . 1657 1 434 . 1 1 115 115 GLN CA C 13 52.7 . . 1 . . . . . . . . 1657 1 435 . 1 1 115 115 GLN HA H 1 4.74 . . 1 . . . . . . . . 1657 1 436 . 1 1 115 115 GLN N N 15 120.9 . . 1 . . . . . . . . 1657 1 437 . 1 1 116 116 ILE H H 1 8.57 . . 1 . . . . . . . . 1657 1 438 . 1 1 116 116 ILE HA H 1 4.54 . . 1 . . . . . . . . 1657 1 439 . 1 1 116 116 ILE N N 15 125.9 . . 1 . . . . . . . . 1657 1 440 . 1 1 117 117 LYS H H 1 8.81 . . 1 . . . . . . . . 1657 1 441 . 1 1 117 117 LYS CA C 13 52.7 . . 1 . . . . . . . . 1657 1 442 . 1 1 117 117 LYS HA H 1 4.48 . . 1 . . . . . . . . 1657 1 443 . 1 1 117 117 LYS N N 15 129.8 . . 1 . . . . . . . . 1657 1 444 . 1 1 118 118 TRP H H 1 8.26 . . 1 . . . . . . . . 1657 1 445 . 1 1 118 118 TRP CA C 13 54.1 . . 1 . . . . . . . . 1657 1 446 . 1 1 118 118 TRP HA H 1 4.46 . . 1 . . . . . . . . 1657 1 447 . 1 1 118 118 TRP N N 15 125.9 . . 1 . . . . . . . . 1657 1 448 . 1 1 119 119 GLU H H 1 8.94 . . 1 . . . . . . . . 1657 1 449 . 1 1 119 119 GLU CA C 13 52.5 . . 1 . . . . . . . . 1657 1 450 . 1 1 119 119 GLU HA H 1 4.34 . . 1 . . . . . . . . 1657 1 451 . 1 1 119 119 GLU N N 15 126.5 . . 1 . . . . . . . . 1657 1 452 . 1 1 120 120 TRP H H 1 7.93 . . 1 . . . . . . . . 1657 1 453 . 1 1 120 120 TRP CA C 13 52 . . 1 . . . . . . . . 1657 1 454 . 1 1 120 120 TRP HA H 1 5.62 . . 1 . . . . . . . . 1657 1 455 . 1 1 120 120 TRP N N 15 125.8 . . 1 . . . . . . . . 1657 1 456 . 1 1 121 121 VAL H H 1 8.03 . . 1 . . . . . . . . 1657 1 457 . 1 1 121 121 VAL HA H 1 4.2 . . 1 . . . . . . . . 1657 1 458 . 1 1 121 121 VAL N N 15 123.6 . . 1 . . . . . . . . 1657 1 459 . 1 1 122 122 LYS H H 1 8.46 . . 1 . . . . . . . . 1657 1 460 . 1 1 122 122 LYS CA C 13 53.9 . . 1 . . . . . . . . 1657 1 461 . 1 1 122 122 LYS HA H 1 4.54 . . 1 . . . . . . . . 1657 1 462 . 1 1 122 122 LYS N N 15 124.3 . . 1 . . . . . . . . 1657 1 463 . 1 1 123 123 GLY H H 1 8.46 . . 1 . . . . . . . . 1657 1 464 . 1 1 123 123 GLY CA C 13 43.4 . . 1 . . . . . . . . 1657 1 465 . 1 1 123 123 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 1657 1 466 . 1 1 123 123 GLY HA3 H 1 3.91 . . 2 . . . . . . . . 1657 1 467 . 1 1 123 123 GLY N N 15 111.3 . . 1 . . . . . . . . 1657 1 468 . 1 1 124 124 HIS H H 1 8.57 . . 1 . . . . . . . . 1657 1 469 . 1 1 124 124 HIS HA H 1 4.64 . . 1 . . . . . . . . 1657 1 470 . 1 1 124 124 HIS N N 15 116.5 . . 1 . . . . . . . . 1657 1 471 . 1 1 125 125 ALA H H 1 8.14 . . 1 . . . . . . . . 1657 1 472 . 1 1 125 125 ALA CA C 13 50.8 . . 1 . . . . . . . . 1657 1 473 . 1 1 125 125 ALA HA H 1 4.45 . . 1 . . . . . . . . 1657 1 474 . 1 1 125 125 ALA N N 15 123.5 . . 1 . . . . . . . . 1657 1 475 . 1 1 126 126 GLY H H 1 8.66 . . 1 . . . . . . . . 1657 1 476 . 1 1 126 126 GLY CA C 13 43.4 . . 1 . . . . . . . . 1657 1 477 . 1 1 126 126 GLY HA2 H 1 3.82 . . 1 . . . . . . . . 1657 1 478 . 1 1 126 126 GLY HA3 H 1 3.82 . . 1 . . . . . . . . 1657 1 479 . 1 1 126 126 GLY N N 15 109.8 . . 1 . . . . . . . . 1657 1 480 . 1 1 127 127 HIS H H 1 8.4 . . 1 . . . . . . . . 1657 1 481 . 1 1 127 127 HIS HA H 1 5.23 . . 1 . . . . . . . . 1657 1 482 . 1 1 127 127 HIS N N 15 118.5 . . 1 . . . . . . . . 1657 1 483 . 1 1 128 128 PRO CA C 13 63.6 . . 1 . . . . . . . . 1657 1 484 . 1 1 128 128 PRO HA H 1 4.39 . . 1 . . . . . . . . 1657 1 485 . 1 1 129 129 GLU H H 1 9.37 . . 1 . . . . . . . . 1657 1 486 . 1 1 129 129 GLU CA C 13 59 . . 1 . . . . . . . . 1657 1 487 . 1 1 129 129 GLU HA H 1 3.63 . . 1 . . . . . . . . 1657 1 488 . 1 1 129 129 GLU N N 15 117.8 . . 1 . . . . . . . . 1657 1 489 . 1 1 130 130 ASN H H 1 7.66 . . 1 . . . . . . . . 1657 1 490 . 1 1 130 130 ASN CA C 13 56.6 . . 1 . . . . . . . . 1657 1 491 . 1 1 130 130 ASN HA H 1 4.45 . . 1 . . . . . . . . 1657 1 492 . 1 1 130 130 ASN N N 15 117.2 . . 1 . . . . . . . . 1657 1 493 . 1 1 131 131 GLU H H 1 7.83 . . 1 . . . . . . . . 1657 1 494 . 1 1 131 131 GLU CA C 13 57.8 . . 1 . . . . . . . . 1657 1 495 . 1 1 131 131 GLU HA H 1 3.92 . . 1 . . . . . . . . 1657 1 496 . 1 1 131 131 GLU N N 15 120.2 . . 1 . . . . . . . . 1657 1 497 . 1 1 132 132 ARG H H 1 8.02 . . 1 . . . . . . . . 1657 1 498 . 1 1 132 132 ARG CA C 13 57.4 . . 1 . . . . . . . . 1657 1 499 . 1 1 132 132 ARG HA H 1 4.09 . . 1 . . . . . . . . 1657 1 500 . 1 1 132 132 ARG N N 15 119.8 . . 1 . . . . . . . . 1657 1 501 . 1 1 133 133 CYS H H 1 8.1 . . 1 . . . . . . . . 1657 1 502 . 1 1 133 133 CYS CA C 13 63.2 . . 1 . . . . . . . . 1657 1 503 . 1 1 133 133 CYS HA H 1 4.01 . . 1 . . . . . . . . 1657 1 504 . 1 1 133 133 CYS N N 15 117.8 . . 1 . . . . . . . . 1657 1 505 . 1 1 134 134 ASP H H 1 7.78 . . 1 . . . . . . . . 1657 1 506 . 1 1 134 134 ASP CA C 13 55.3 . . 1 . . . . . . . . 1657 1 507 . 1 1 134 134 ASP HA H 1 4.46 . . 1 . . . . . . . . 1657 1 508 . 1 1 134 134 ASP N N 15 120.8 . . 1 . . . . . . . . 1657 1 509 . 1 1 135 135 GLU H H 1 7.83 . . 1 . . . . . . . . 1657 1 510 . 1 1 135 135 GLU CA C 13 57.8 . . 1 . . . . . . . . 1657 1 511 . 1 1 135 135 GLU HA H 1 3.92 . . 1 . . . . . . . . 1657 1 512 . 1 1 135 135 GLU N N 15 118.9 . . 1 . . . . . . . . 1657 1 513 . 1 1 136 136 LEU H H 1 8.3 . . 1 . . . . . . . . 1657 1 514 . 1 1 136 136 LEU HA H 1 4.02 . . 1 . . . . . . . . 1657 1 515 . 1 1 136 136 LEU N N 15 120.1 . . 1 . . . . . . . . 1657 1 516 . 1 1 137 137 ALA H H 1 8.35 . . 1 . . . . . . . . 1657 1 517 . 1 1 137 137 ALA CA C 13 53.5 . . 1 . . . . . . . . 1657 1 518 . 1 1 137 137 ALA HA H 1 3.62 . . 1 . . . . . . . . 1657 1 519 . 1 1 137 137 ALA N N 15 122.7 . . 1 . . . . . . . . 1657 1 520 . 1 1 138 138 ARG H H 1 8.24 . . 1 . . . . . . . . 1657 1 521 . 1 1 138 138 ARG CA C 13 57.6 . . 1 . . . . . . . . 1657 1 522 . 1 1 138 138 ARG HA H 1 3.8 . . 1 . . . . . . . . 1657 1 523 . 1 1 138 138 ARG N N 15 116.5 . . 1 . . . . . . . . 1657 1 524 . 1 1 139 139 ALA H H 1 7.89 . . 1 . . . . . . . . 1657 1 525 . 1 1 139 139 ALA CA C 13 52.9 . . 1 . . . . . . . . 1657 1 526 . 1 1 139 139 ALA HA H 1 4.04 . . 1 . . . . . . . . 1657 1 527 . 1 1 139 139 ALA N N 15 120.4 . . 1 . . . . . . . . 1657 1 528 . 1 1 140 140 ALA H H 1 7.88 . . 1 . . . . . . . . 1657 1 529 . 1 1 140 140 ALA CA C 13 52.7 . . 1 . . . . . . . . 1657 1 530 . 1 1 140 140 ALA HA H 1 3.98 . . 1 . . . . . . . . 1657 1 531 . 1 1 140 140 ALA N N 15 121.8 . . 1 . . . . . . . . 1657 1 532 . 1 1 141 141 ALA H H 1 7.79 . . 1 . . . . . . . . 1657 1 533 . 1 1 141 141 ALA CA C 13 52.7 . . 1 . . . . . . . . 1657 1 534 . 1 1 141 141 ALA HA H 1 3.75 . . 1 . . . . . . . . 1657 1 535 . 1 1 141 141 ALA N N 15 119.2 . . 1 . . . . . . . . 1657 1 536 . 1 1 142 142 MET H H 1 7.11 . . 1 . . . . . . . . 1657 1 537 . 1 1 142 142 MET CA C 13 53.9 . . 1 . . . . . . . . 1657 1 538 . 1 1 142 142 MET HA H 1 4.29 . . 1 . . . . . . . . 1657 1 539 . 1 1 142 142 MET N N 15 111 . . 1 . . . . . . . . 1657 1 540 . 1 1 143 143 ASN H H 1 7.42 . . 1 . . . . . . . . 1657 1 541 . 1 1 143 143 ASN CA C 13 49.4 . . 1 . . . . . . . . 1657 1 542 . 1 1 143 143 ASN HA H 1 5.04 . . 1 . . . . . . . . 1657 1 543 . 1 1 143 143 ASN N N 15 117 . . 1 . . . . . . . . 1657 1 544 . 1 1 144 144 PRO CA C 13 62.1 . . 1 . . . . . . . . 1657 1 545 . 1 1 144 144 PRO HA H 1 4.1 . . 1 . . . . . . . . 1657 1 546 . 1 1 145 145 THR H H 1 7.49 . . 1 . . . . . . . . 1657 1 547 . 1 1 145 145 THR CA C 13 59.3 . . 1 . . . . . . . . 1657 1 548 . 1 1 145 145 THR HA H 1 4.56 . . 1 . . . . . . . . 1657 1 549 . 1 1 145 145 THR N N 15 108.4 . . 1 . . . . . . . . 1657 1 550 . 1 1 146 146 LEU H H 1 8.08 . . 1 . . . . . . . . 1657 1 551 . 1 1 146 146 LEU HA H 1 4.76 . . 1 . . . . . . . . 1657 1 552 . 1 1 146 146 LEU N N 15 123.4 . . 1 . . . . . . . . 1657 1 553 . 1 1 147 147 GLU H H 1 8.35 . . 1 . . . . . . . . 1657 1 554 . 1 1 147 147 GLU CA C 13 52.5 . . 1 . . . . . . . . 1657 1 555 . 1 1 147 147 GLU HA H 1 4.82 . . 1 . . . . . . . . 1657 1 556 . 1 1 147 147 GLU N N 15 117.9 . . 1 . . . . . . . . 1657 1 557 . 1 1 148 148 ASP H H 1 10.04 . . 1 . . . . . . . . 1657 1 558 . 1 1 148 148 ASP CA C 13 50.4 . . 1 . . . . . . . . 1657 1 559 . 1 1 148 148 ASP HA H 1 4.88 . . 1 . . . . . . . . 1657 1 560 . 1 1 148 148 ASP N N 15 125.6 . . 1 . . . . . . . . 1657 1 561 . 1 1 149 149 THR H H 1 7.88 . . 1 . . . . . . . . 1657 1 562 . 1 1 149 149 THR CA C 13 62.5 . . 1 . . . . . . . . 1657 1 563 . 1 1 149 149 THR HA H 1 4.14 . . 1 . . . . . . . . 1657 1 564 . 1 1 149 149 THR N N 15 116.6 . . 1 . . . . . . . . 1657 1 565 . 1 1 150 150 GLY H H 1 8.02 . . 1 . . . . . . . . 1657 1 566 . 1 1 150 150 GLY CA C 13 43 . . 1 . . . . . . . . 1657 1 567 . 1 1 150 150 GLY HA2 H 1 4.21 . . 2 . . . . . . . . 1657 1 568 . 1 1 150 150 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 1657 1 569 . 1 1 150 150 GLY N N 15 106.7 . . 1 . . . . . . . . 1657 1 570 . 1 1 151 151 TYR H H 1 7.27 . . 1 . . . . . . . . 1657 1 571 . 1 1 151 151 TYR CA C 13 56.8 . . 1 . . . . . . . . 1657 1 572 . 1 1 151 151 TYR HA H 1 4.24 . . 1 . . . . . . . . 1657 1 573 . 1 1 151 151 TYR N N 15 121.4 . . 1 . . . . . . . . 1657 1 574 . 1 1 152 152 GLN H H 1 7.6 . . 1 . . . . . . . . 1657 1 575 . 1 1 152 152 GLN CA C 13 52.3 . . 1 . . . . . . . . 1657 1 576 . 1 1 152 152 GLN HA H 1 4.15 . . 1 . . . . . . . . 1657 1 577 . 1 1 152 152 GLN N N 15 126 . . 1 . . . . . . . . 1657 1 578 . 1 1 153 153 VAL H H 1 7.86 . . 1 . . . . . . . . 1657 1 579 . 1 1 153 153 VAL HA H 1 3.84 . . 1 . . . . . . . . 1657 1 580 . 1 1 153 153 VAL N N 15 120.6 . . 1 . . . . . . . . 1657 1 581 . 1 1 154 154 GLU H H 1 8.26 . . 1 . . . . . . . . 1657 1 582 . 1 1 154 154 GLU CA C 13 54.5 . . 1 . . . . . . . . 1657 1 583 . 1 1 154 154 GLU HA H 1 4.34 . . 1 . . . . . . . . 1657 1 584 . 1 1 154 154 GLU N N 15 125.2 . . 1 . . . . . . . . 1657 1 585 . 1 1 155 155 VAL H H 1 7.73 . . 1 . . . . . . . . 1657 1 586 . 1 1 155 155 VAL HA H 1 4.04 . . 1 . . . . . . . . 1657 1 587 . 1 1 155 155 VAL N N 15 125.4 . . 1 . . . . . . . . 1657 1 stop_ save_