data_5766 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5766 _Entry.Title ; Solution Structure of the Lyase Domain of Human DNA Polymerase Lambda ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-04-11 _Entry.Accession_date 2003-04-11 _Entry.Last_release_date 2003-09-08 _Entry.Original_release_date 2003-09-08 _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 E. DeRose . F. . 5766 2 T. Kirby . W. . 5766 3 G. Mueller . A. . 5766 4 K. Bebenek . . . 5766 5 M. Garcia-Diaz . . . 5766 6 L. Blanco . . . 5766 7 T. Kunkel . A. . 5766 8 R. London . E. . 5766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 440 5766 '13C chemical shifts' 328 5766 '15N chemical shifts' 76 5766 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 . . 2003-09-08 2003-04-11 original author . 5766 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5766 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12911298 _Citation.Full_citation . _Citation.Title 'Solution Structure of the Lyase Domain of Human DNA Polymerase Lambda' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 32 _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 9564 _Citation.Page_last 9574 _Citation.Year 2003 _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 E. DeRose . F. . 5766 1 2 T. Kirby . W. . 5766 1 3 G. Mueller . A. . 5766 1 4 K. Bebenek . . . 5766 1 5 M. Garcia-Diaz . . . 5766 1 6 L. Blanco . . . 5766 1 7 T. Kunkel . A. . 5766 1 8 R. London . E. . 5766 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA POLYMERASE LAMBDA' 5766 1 'POL LAMBDA' 5766 1 'LYASE DOMAIN' 5766 1 '8 kDa DOMAIN' 5766 1 'POL BETA-LIKE' 5766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_lambda _Assembly.Sf_category assembly _Assembly.Sf_framecode system_lambda _Assembly.Entry_ID 5766 _Assembly.ID 1 _Assembly.Name 'DNA polymerase lambda (E.C.2.7.7.7)' _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 'all free' _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 5766 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 '50S Ribosomal Protein L18' 1 $L18 . . . native . . . . . 5766 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 1NZP . . . . . . 5766 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA polymerase lambda (E.C.2.7.7.7)' system 5766 1 'DNA polymerase lambda (E.C.2.7.7.7)' abbreviation 5766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L18 _Entity.Sf_category entity _Entity.Sf_framecode L18 _Entity.Entry_ID 5766 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '50S Ribosomal Protein L18' _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 ; MAQPSSQKATNHNLHITEKL EVLAKAYSVQGDKWRALGYA KAINALKSFHKPVTSYQEAC SIPGIGKRMAEKIIEILESG HLRKLDH ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NZP . "Solution Structure Of The Lyase Domain Of Human Dna Polymerase Lambda" . . . . . 100.00 87 100.00 100.00 1.87e-56 . . . . 5766 1 2 no PDB 1RZT . "Crystal Structure Of Dna Polymerase Lambda Complexed With A Two Nucleotide Gap Dna Molecule" . . . . . 95.40 331 100.00 100.00 4.46e-50 . . . . 5766 1 3 no PDB 1XSL . "Crystal Structure Of Human Dna Polymerase Lambda In Complex With A One Nucleotide Dna Gap" . . . . . 100.00 335 100.00 100.00 1.57e-53 . . . . 5766 1 4 no PDB 1XSN . "Crystal Structure Of Human Dna Polymerase Lambda In Complex With A One Nucleotide Dna Gap And Ddttp" . . . . . 100.00 335 100.00 100.00 1.40e-53 . . . . 5766 1 5 no PDB 1XSP . "Crystal Structure Of Human Dna Polymerase Lambda In Complex With Nicked Dna And Pyrophosphate" . . . . . 100.00 335 100.00 100.00 1.40e-53 . . . . 5766 1 6 no PDB 2BCQ . "Dna Polymerase Lambda In Complex With A Dna Duplex Containing An Unpaired Dtmp" . . . . . 100.00 335 100.00 100.00 1.57e-53 . . . . 5766 1 7 no PDB 2BCR . "Dna Polymerase Lambda In Complex With A Dna Duplex Containing An Unpaired Damp" . . . . . 100.00 335 100.00 100.00 1.57e-53 . . . . 5766 1 8 no PDB 2BCS . "Dna Polymerase Lambda In Complex With A Dna Duplex Containing An Unpaired Dcmp" . . . . . 100.00 335 100.00 100.00 1.57e-53 . . . . 5766 1 9 no PDB 2BCU . "Dna Polymerase Lambda In Complex With A Dna Duplex Containing An Unpaired Damp And A T:t Mismatch" . . . . . 100.00 335 100.00 100.00 1.57e-53 . . . . 5766 1 10 no PDB 2BCV . "Dna Polymerase Lambda In Complex With Dttp And A Dna Duplex Containing An Unpaired Dtmp" . . . . . 100.00 335 100.00 100.00 1.57e-53 . . . . 5766 1 11 no PDB 2GWS . "Crystal Structure Of Human Dna Polymerase Lambda With A GG MISMATCH In The Primer Terminus" . . . . . 100.00 335 100.00 100.00 1.57e-53 . . . . 5766 1 12 no PDB 2PFN . "Na In The Active Site Of Dna Polymerase Lambda" . . . . . 100.00 335 100.00 100.00 1.40e-53 . . . . 5766 1 13 no PDB 2PFO . "Dna Polymerase Lambda In Complex With Dna And Dupnpp" . . . . . 100.00 335 100.00 100.00 1.40e-53 . . . . 5766 1 14 no PDB 2PFP . "Dna Polymerase Lambda In Complex With Dna And Dctp" . . . . . 100.00 335 100.00 100.00 1.40e-53 . . . . 5766 1 15 no PDB 2PFQ . "Manganese Promotes Catalysis In A Dna Polymerase Lambda-Dna Crystal" . . . . . 100.00 335 100.00 100.00 1.40e-53 . . . . 5766 1 16 no PDB 3C5F . "Structure Of A Binary Complex Of The R517a Pol Lambda Mutant" . . . . . 100.00 335 100.00 100.00 1.44e-53 . . . . 5766 1 17 no PDB 3C5G . "Structure Of A Ternary Complex Of The R517k Pol Lambda Mutant" . . . . . 100.00 335 100.00 100.00 1.44e-53 . . . . 5766 1 18 no PDB 3HW8 . "Ternary Complex Of Dna Polymerase Lambda Of A Two Nucleotide Gapped Dna Substrate With A C In The Scrunch Site" . . . . . 100.00 335 100.00 100.00 1.40e-53 . . . . 5766 1 19 no PDB 3HWT . "Ternary Complex Of Dna Polymerase Lambda Bound To A Two Nucleotide Gapped Dna Substrate With A Scrunched Da" . . . . . 100.00 335 100.00 100.00 1.40e-53 . . . . 5766 1 20 no PDB 3HX0 . "Ternary Complex Of L277a, H511a, R514 Mutant Pol Lambda Bound To A 2 Nucleotide Gapped Dna Substrate With A Scrunched Da" . . . . . 100.00 335 98.85 98.85 7.92e-53 . . . . 5766 1 21 no PDB 3MDA . "Dna Polymerase Lambda In Complex With Arac" . . . . . 87.36 325 100.00 100.00 3.04e-45 . . . . 5766 1 22 no PDB 3MDC . "Dna Polymerase Lambda In Complex With Dfdctp" . . . . . 87.36 325 100.00 100.00 3.04e-45 . . . . 5766 1 23 no PDB 3MGH . "Binary Complex Of A Dna Polymerase Lambda Loop Mutant" . . . . . 98.85 329 100.00 100.00 1.07e-52 . . . . 5766 1 24 no PDB 3MGI . "Ternary Complex Of A Dna Polymerase Lambda Loop Mutant" . . . . . 98.85 329 100.00 100.00 1.07e-52 . . . . 5766 1 25 no PDB 3PML . "Crystal Structure Of A Polymerase Lambda Variant With A Dgtp Analog Opposite A Templating T" . . . . . 98.85 329 100.00 100.00 1.07e-52 . . . . 5766 1 26 no PDB 3PMN . "Ternary Crystal Structure Of Polymerase Lambda Variant With A Gt Mispair At The Primer Terminus With Mn2+ In The Active Site" . . . . . 98.85 329 100.00 100.00 1.07e-52 . . . . 5766 1 27 no PDB 3PNC . "Ternary Crystal Structure Of A Polymerase Lambda Variant With A Gt Mispair At The Primer Terminus And Sodium At Catalytic Metal" . . . . . 98.85 329 100.00 100.00 1.07e-52 . . . . 5766 1 28 no PDB 3UPQ . "Crystal Structure Of The Pre-Catalytic Ternary Complex Of Polymerase Lambda With An Ratp Analog Opposite A Templating T." . . . . . 98.85 329 100.00 100.00 1.07e-52 . . . . 5766 1 29 no PDB 3UQ0 . "Crystal Structure Of The Post-Catalytic Product Complex Of Polymerase Lambda With An Ramp At The Primer Terminus" . . . . . 98.85 329 100.00 100.00 1.07e-52 . . . . 5766 1 30 no PDB 3UQ2 . "Crystal Structure Of The Post-Catalytic Product Complex Of Polymerase Lambda With An Rcmp Inserted Opposite A Templating G And " . . . . . 98.85 329 100.00 100.00 9.75e-53 . . . . 5766 1 31 no PDB 4FO6 . "Crystal Structure Of The Pre-Catalytic Ternary Complex Of Polymerase Lambda With A Datp Analog Opposite A Templating T And An R" . . . . . 98.85 329 100.00 100.00 9.75e-53 . . . . 5766 1 32 no PDB 4K4G . "Ternary Crystal Structures Of Human Dna Polymerase Lambda In Complex With Dna And L-dctp." . . . . . 95.40 340 100.00 100.00 9.30e-50 . . . . 5766 1 33 no PDB 4K4H . "Ternary Crystal Structures Of A Human Dna Polymerase Lambda In Complex With Dna And (-)3tc-tp." . . . . . 95.40 340 100.00 100.00 9.30e-50 . . . . 5766 1 34 no PDB 4K4I . "Ternary Crystal Structures Of A Human Dna Polymerase Lambda In Complex With Dna And (-)ftc-tp" . . . . . 95.40 340 100.00 100.00 9.30e-50 . . . . 5766 1 35 no DBJ BAB13852 . "unnamed protein product [Homo sapiens]" . . . . . 98.85 515 100.00 100.00 4.37e-51 . . . . 5766 1 36 no DBJ BAB14050 . "unnamed protein product [Homo sapiens]" . . . . . 98.85 487 100.00 100.00 2.29e-51 . . . . 5766 1 37 no DBJ BAE02437 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.85 575 100.00 100.00 9.63e-51 . . . . 5766 1 38 no DBJ BAG10573 . "DNA polymerase lambda [synthetic construct]" . . . . . 98.85 575 100.00 100.00 7.85e-51 . . . . 5766 1 39 no DBJ BAK63678 . "DNA polymerase lambda [Pan troglodytes]" . . . . . 98.85 575 100.00 100.00 7.23e-51 . . . . 5766 1 40 no EMBL CAB65074 . "DNA polymerase lambda [Homo sapiens]" . . . . . 98.85 575 100.00 100.00 7.85e-51 . . . . 5766 1 41 no GB AAF27541 . "DNA polymerase lambda [Homo sapiens]" . . . . . 98.85 575 100.00 100.00 7.85e-51 . . . . 5766 1 42 no GB AAG22519 . "DNA polymerase beta2 [Homo sapiens]" . . . . . 98.85 575 100.00 100.00 8.18e-51 . . . . 5766 1 43 no GB AAH68529 . "POLL protein [Homo sapiens]" . . . . . 98.85 575 98.84 98.84 9.36e-50 . . . . 5766 1 44 no GB AAM77696 . "polymerase (DNA directed), lambda [Homo sapiens]" . . . . . 98.85 575 100.00 100.00 7.85e-51 . . . . 5766 1 45 no GB ADQ01128 . "DNA polymerase lambda [Hylobates agilis]" . . . . . 98.85 574 100.00 100.00 7.93e-51 . . . . 5766 1 46 no REF NP_001167555 . "DNA polymerase lambda isoform a [Homo sapiens]" . . . . . 98.85 575 100.00 100.00 7.85e-51 . . . . 5766 1 47 no REF NP_001253835 . "DNA polymerase lambda [Macaca mulatta]" . . . . . 98.85 575 100.00 100.00 8.97e-51 . . . . 5766 1 48 no REF NP_001267179 . "DNA polymerase lambda [Pan troglodytes]" . . . . . 98.85 575 100.00 100.00 7.23e-51 . . . . 5766 1 49 no REF NP_001270218 . "DNA polymerase lambda [Macaca fascicularis]" . . . . . 98.85 575 100.00 100.00 9.63e-51 . . . . 5766 1 50 no REF NP_037406 . "DNA polymerase lambda isoform a [Homo sapiens]" . . . . . 98.85 575 100.00 100.00 7.85e-51 . . . . 5766 1 51 no SP Q4R380 . "RecName: Full=DNA polymerase lambda; Short=Pol Lambda [Macaca fascicularis]" . . . . . 98.85 575 100.00 100.00 9.63e-51 . . . . 5766 1 52 no SP Q9UGP5 . "RecName: Full=DNA polymerase lambda; Short=Pol Lambda; AltName: Full=DNA polymerase beta-2; Short=Pol beta2; AltName: Full=DNA " . . . . . 98.85 575 100.00 100.00 7.85e-51 . . . . 5766 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '50S Ribosomal Protein L18' common 5766 1 '50S Ribosomal Protein L18' abbreviation 5766 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 . 5766 1 2 . ALA . 5766 1 3 . GLN . 5766 1 4 . PRO . 5766 1 5 . SER . 5766 1 6 . SER . 5766 1 7 . GLN . 5766 1 8 . LYS . 5766 1 9 . ALA . 5766 1 10 . THR . 5766 1 11 . ASN . 5766 1 12 . HIS . 5766 1 13 . ASN . 5766 1 14 . LEU . 5766 1 15 . HIS . 5766 1 16 . ILE . 5766 1 17 . THR . 5766 1 18 . GLU . 5766 1 19 . LYS . 5766 1 20 . LEU . 5766 1 21 . GLU . 5766 1 22 . VAL . 5766 1 23 . LEU . 5766 1 24 . ALA . 5766 1 25 . LYS . 5766 1 26 . ALA . 5766 1 27 . TYR . 5766 1 28 . SER . 5766 1 29 . VAL . 5766 1 30 . GLN . 5766 1 31 . GLY . 5766 1 32 . ASP . 5766 1 33 . LYS . 5766 1 34 . TRP . 5766 1 35 . ARG . 5766 1 36 . ALA . 5766 1 37 . LEU . 5766 1 38 . GLY . 5766 1 39 . TYR . 5766 1 40 . ALA . 5766 1 41 . LYS . 5766 1 42 . ALA . 5766 1 43 . ILE . 5766 1 44 . ASN . 5766 1 45 . ALA . 5766 1 46 . LEU . 5766 1 47 . LYS . 5766 1 48 . SER . 5766 1 49 . PHE . 5766 1 50 . HIS . 5766 1 51 . LYS . 5766 1 52 . PRO . 5766 1 53 . VAL . 5766 1 54 . THR . 5766 1 55 . SER . 5766 1 56 . TYR . 5766 1 57 . GLN . 5766 1 58 . GLU . 5766 1 59 . ALA . 5766 1 60 . CYS . 5766 1 61 . SER . 5766 1 62 . ILE . 5766 1 63 . PRO . 5766 1 64 . GLY . 5766 1 65 . ILE . 5766 1 66 . GLY . 5766 1 67 . LYS . 5766 1 68 . ARG . 5766 1 69 . MET . 5766 1 70 . ALA . 5766 1 71 . GLU . 5766 1 72 . LYS . 5766 1 73 . ILE . 5766 1 74 . ILE . 5766 1 75 . GLU . 5766 1 76 . ILE . 5766 1 77 . LEU . 5766 1 78 . GLU . 5766 1 79 . SER . 5766 1 80 . GLY . 5766 1 81 . HIS . 5766 1 82 . LEU . 5766 1 83 . ARG . 5766 1 84 . LYS . 5766 1 85 . LEU . 5766 1 86 . ASP . 5766 1 87 . HIS . 5766 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 5766 1 . ALA 2 2 5766 1 . GLN 3 3 5766 1 . PRO 4 4 5766 1 . SER 5 5 5766 1 . SER 6 6 5766 1 . GLN 7 7 5766 1 . LYS 8 8 5766 1 . ALA 9 9 5766 1 . THR 10 10 5766 1 . ASN 11 11 5766 1 . HIS 12 12 5766 1 . ASN 13 13 5766 1 . LEU 14 14 5766 1 . HIS 15 15 5766 1 . ILE 16 16 5766 1 . THR 17 17 5766 1 . GLU 18 18 5766 1 . LYS 19 19 5766 1 . LEU 20 20 5766 1 . GLU 21 21 5766 1 . VAL 22 22 5766 1 . LEU 23 23 5766 1 . ALA 24 24 5766 1 . LYS 25 25 5766 1 . ALA 26 26 5766 1 . TYR 27 27 5766 1 . SER 28 28 5766 1 . VAL 29 29 5766 1 . GLN 30 30 5766 1 . GLY 31 31 5766 1 . ASP 32 32 5766 1 . LYS 33 33 5766 1 . TRP 34 34 5766 1 . ARG 35 35 5766 1 . ALA 36 36 5766 1 . LEU 37 37 5766 1 . GLY 38 38 5766 1 . TYR 39 39 5766 1 . ALA 40 40 5766 1 . LYS 41 41 5766 1 . ALA 42 42 5766 1 . ILE 43 43 5766 1 . ASN 44 44 5766 1 . ALA 45 45 5766 1 . LEU 46 46 5766 1 . LYS 47 47 5766 1 . SER 48 48 5766 1 . PHE 49 49 5766 1 . HIS 50 50 5766 1 . LYS 51 51 5766 1 . PRO 52 52 5766 1 . VAL 53 53 5766 1 . THR 54 54 5766 1 . SER 55 55 5766 1 . TYR 56 56 5766 1 . GLN 57 57 5766 1 . GLU 58 58 5766 1 . ALA 59 59 5766 1 . CYS 60 60 5766 1 . SER 61 61 5766 1 . ILE 62 62 5766 1 . PRO 63 63 5766 1 . GLY 64 64 5766 1 . ILE 65 65 5766 1 . GLY 66 66 5766 1 . LYS 67 67 5766 1 . ARG 68 68 5766 1 . MET 69 69 5766 1 . ALA 70 70 5766 1 . GLU 71 71 5766 1 . LYS 72 72 5766 1 . ILE 73 73 5766 1 . ILE 74 74 5766 1 . GLU 75 75 5766 1 . ILE 76 76 5766 1 . LEU 77 77 5766 1 . GLU 78 78 5766 1 . SER 79 79 5766 1 . GLY 80 80 5766 1 . HIS 81 81 5766 1 . LEU 82 82 5766 1 . ARG 83 83 5766 1 . LYS 84 84 5766 1 . LEU 85 85 5766 1 . ASP 86 86 5766 1 . HIS 87 87 5766 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 5766 _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 $L18 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5766 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 5766 _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 $L18 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BLR(DE3) . . . . . . . . . . . . . . . PET30A(+) . . . . . . 5766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5766 _Sample.ID 1 _Sample.Type soultion _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 '50S Ribosomal Protein L18' '[U-15N; U-13C]' . . 1 $L18 . . 2 . . mM . . . . 5766 1 2 Tris-d11 . . . . . . . 5 . . mM . . . . 5766 1 3 NaCl . . . . . . . 100 . . mM . . . . 5766 1 4 DTT . . . . . . . 1 . . mM . . . . 5766 1 5 NaN3 . . . . . . . 5 . . mM . . . . 5766 1 6 H2O . . . . . . . 90 . . % . . . . 5766 1 7 D2O . . . . . . . 10 . . % . . . . 5766 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5766 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . n/a 5766 1 temperature 298 . K 5766 1 'ionic strength' 110 . mM 5766 1 pressure 1 . atm 5766 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5766 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details 'Varian, Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5766 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5766 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'F. Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5766 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5766 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'B.A. Johnson' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5766 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5766 _Software.ID 4 _Software.Name CNS _Software.Version 1.0 _Software.Details 'A.T., Brunger et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5766 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5766 _Software.ID 5 _Software.Name ARIA _Software.Version 1.1 _Software.Details 'M. Nilges' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5766 5 refinement 5766 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5766 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5766 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5766 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 5766 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5766 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5766 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5766 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5766 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5766 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS methl . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5766 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 5766 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 5766 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5766 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5766 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 GLN C C 13 176.008 . . 1 . . . . . . . . 5766 1 2 . 1 1 8 8 LYS CA C 13 56.351 . . 1 . . . . . . . . 5766 1 3 . 1 1 8 8 LYS HA H 1 4.412 . . 1 . . . . . . . . 5766 1 4 . 1 1 8 8 LYS CB C 13 33.309 . . 1 . . . . . . . . 5766 1 5 . 1 1 8 8 LYS HB2 H 1 1.912 . . 2 . . . . . . . . 5766 1 6 . 1 1 8 8 LYS CG C 13 24.771 . . 1 . . . . . . . . 5766 1 7 . 1 1 8 8 LYS HG2 H 1 1.511 . . 2 . . . . . . . . 5766 1 8 . 1 1 8 8 LYS CD C 13 29.229 . . 1 . . . . . . . . 5766 1 9 . 1 1 8 8 LYS HD2 H 1 1.806 . . 2 . . . . . . . . 5766 1 10 . 1 1 8 8 LYS CE C 13 42.324 . . 1 . . . . . . . . 5766 1 11 . 1 1 8 8 LYS HE2 H 1 3.113 . . 2 . . . . . . . . 5766 1 12 . 1 1 8 8 LYS C C 13 176.179 . . 1 . . . . . . . . 5766 1 13 . 1 1 9 9 ALA N N 15 125.856 . . 1 . . . . . . . . 5766 1 14 . 1 1 9 9 ALA H H 1 8.393 . . 1 . . . . . . . . 5766 1 15 . 1 1 9 9 ALA CA C 13 52.373 . . 1 . . . . . . . . 5766 1 16 . 1 1 9 9 ALA HA H 1 4.494 . . 1 . . . . . . . . 5766 1 17 . 1 1 9 9 ALA CB C 13 19.529 . . 1 . . . . . . . . 5766 1 18 . 1 1 9 9 ALA HB1 H 1 1.484 . . 1 . . . . . . . . 5766 1 19 . 1 1 9 9 ALA HB2 H 1 1.484 . . 1 . . . . . . . . 5766 1 20 . 1 1 9 9 ALA HB3 H 1 1.484 . . 1 . . . . . . . . 5766 1 21 . 1 1 10 10 THR N N 15 117.364 . . 1 . . . . . . . . 5766 1 22 . 1 1 10 10 THR H H 1 8.308 . . 1 . . . . . . . . 5766 1 23 . 1 1 10 10 THR CA C 13 62.505 . . 1 . . . . . . . . 5766 1 24 . 1 1 10 10 THR CB C 13 70.236 . . 1 . . . . . . . . 5766 1 25 . 1 1 11 11 ASN CA C 13 51.856 . . 1 . . . . . . . . 5766 1 26 . 1 1 11 11 ASN HA H 1 5.106 . . 1 . . . . . . . . 5766 1 27 . 1 1 11 11 ASN CB C 13 38.141 . . 1 . . . . . . . . 5766 1 28 . 1 1 11 11 ASN HB3 H 1 3.120 . . 2 . . . . . . . . 5766 1 29 . 1 1 11 11 ASN HB2 H 1 2.921 . . 2 . . . . . . . . 5766 1 30 . 1 1 11 11 ASN C C 13 176.087 . . 1 . . . . . . . . 5766 1 31 . 1 1 12 12 HIS N N 15 126.684 . . 1 . . . . . . . . 5766 1 32 . 1 1 12 12 HIS H H 1 9.383 . . 1 . . . . . . . . 5766 1 33 . 1 1 12 12 HIS CA C 13 58.241 . . 1 . . . . . . . . 5766 1 34 . 1 1 12 12 HIS HA H 1 4.509 . . 1 . . . . . . . . 5766 1 35 . 1 1 12 12 HIS CB C 13 31.517 . . 1 . . . . . . . . 5766 1 36 . 1 1 12 12 HIS HB3 H 1 3.042 . . 2 . . . . . . . . 5766 1 37 . 1 1 12 12 HIS HB2 H 1 2.680 . . 2 . . . . . . . . 5766 1 38 . 1 1 12 12 HIS C C 13 175.443 . . 1 . . . . . . . . 5766 1 39 . 1 1 13 13 ASN N N 15 116.079 . . 1 . . . . . . . . 5766 1 40 . 1 1 13 13 ASN H H 1 8.644 . . 1 . . . . . . . . 5766 1 41 . 1 1 13 13 ASN CA C 13 53.947 . . 1 . . . . . . . . 5766 1 42 . 1 1 13 13 ASN HA H 1 5.481 . . 1 . . . . . . . . 5766 1 43 . 1 1 13 13 ASN CB C 13 41.988 . . 1 . . . . . . . . 5766 1 44 . 1 1 13 13 ASN HB3 H 1 3.002 . . 2 . . . . . . . . 5766 1 45 . 1 1 13 13 ASN HB2 H 1 2.433 . . 2 . . . . . . . . 5766 1 46 . 1 1 13 13 ASN C C 13 175.946 . . 1 . . . . . . . . 5766 1 47 . 1 1 14 14 LEU N N 15 124.952 . . 1 . . . . . . . . 5766 1 48 . 1 1 14 14 LEU H H 1 7.617 . . 1 . . . . . . . . 5766 1 49 . 1 1 14 14 LEU CA C 13 58.352 . . 1 . . . . . . . . 5766 1 50 . 1 1 14 14 LEU HA H 1 4.557 . . 1 . . . . . . . . 5766 1 51 . 1 1 14 14 LEU CB C 13 42.805 . . 1 . . . . . . . . 5766 1 52 . 1 1 14 14 LEU HB2 H 1 1.871 . . 2 . . . . . . . . 5766 1 53 . 1 1 14 14 LEU CG C 13 26.947 . . 1 . . . . . . . . 5766 1 54 . 1 1 14 14 LEU HG H 1 1.715 . . 1 . . . . . . . . 5766 1 55 . 1 1 14 14 LEU CD1 C 13 24.388 . . 2 . . . . . . . . 5766 1 56 . 1 1 14 14 LEU HD11 H 1 1.057 . . 4 . . . . . . . . 5766 1 57 . 1 1 14 14 LEU HD12 H 1 1.057 . . 4 . . . . . . . . 5766 1 58 . 1 1 14 14 LEU HD13 H 1 1.057 . . 4 . . . . . . . . 5766 1 59 . 1 1 14 14 LEU CD2 C 13 25.529 . . 2 . . . . . . . . 5766 1 60 . 1 1 14 14 LEU C C 13 176.857 . . 1 . . . . . . . . 5766 1 61 . 1 1 15 15 HIS N N 15 114.741 . . 1 . . . . . . . . 5766 1 62 . 1 1 15 15 HIS H H 1 9.068 . . 1 . . . . . . . . 5766 1 63 . 1 1 15 15 HIS CA C 13 58.579 . . 1 . . . . . . . . 5766 1 64 . 1 1 15 15 HIS HA H 1 4.569 . . 1 . . . . . . . . 5766 1 65 . 1 1 15 15 HIS CB C 13 29.222 . . 1 . . . . . . . . 5766 1 66 . 1 1 15 15 HIS HB2 H 1 3.175 . . 2 . . . . . . . . 5766 1 67 . 1 1 15 15 HIS CD2 C 13 118.388 . . 1 . . . . . . . . 5766 1 68 . 1 1 15 15 HIS HD2 H 1 7.024 . . 3 . . . . . . . . 5766 1 69 . 1 1 15 15 HIS C C 13 176.673 . . 1 . . . . . . . . 5766 1 70 . 1 1 16 16 ILE N N 15 117.489 . . 1 . . . . . . . . 5766 1 71 . 1 1 16 16 ILE H H 1 7.298 . . 1 . . . . . . . . 5766 1 72 . 1 1 16 16 ILE CA C 13 63.280 . . 1 . . . . . . . . 5766 1 73 . 1 1 16 16 ILE HA H 1 4.080 . . 1 . . . . . . . . 5766 1 74 . 1 1 16 16 ILE CB C 13 40.261 . . 1 . . . . . . . . 5766 1 75 . 1 1 16 16 ILE HB H 1 1.751 . . 1 . . . . . . . . 5766 1 76 . 1 1 16 16 ILE CG1 C 13 27.617 . . 2 . . . . . . . . 5766 1 77 . 1 1 16 16 ILE HG12 H 1 0.624 . . 9 . . . . . . . . 5766 1 78 . 1 1 16 16 ILE CD1 C 13 14.503 . . 1 . . . . . . . . 5766 1 79 . 1 1 16 16 ILE HD11 H 1 0.874 . . 1 . . . . . . . . 5766 1 80 . 1 1 16 16 ILE HD12 H 1 0.874 . . 1 . . . . . . . . 5766 1 81 . 1 1 16 16 ILE HD13 H 1 0.874 . . 1 . . . . . . . . 5766 1 82 . 1 1 16 16 ILE CG2 C 13 19.579 . . 2 . . . . . . . . 5766 1 83 . 1 1 16 16 ILE HG21 H 1 0.894 . . 4 . . . . . . . . 5766 1 84 . 1 1 16 16 ILE HG22 H 1 0.894 . . 4 . . . . . . . . 5766 1 85 . 1 1 16 16 ILE HG23 H 1 0.894 . . 4 . . . . . . . . 5766 1 86 . 1 1 16 16 ILE C C 13 178.779 . . 1 . . . . . . . . 5766 1 87 . 1 1 17 17 THR N N 15 112.459 . . 1 . . . . . . . . 5766 1 88 . 1 1 17 17 THR H H 1 9.203 . . 1 . . . . . . . . 5766 1 89 . 1 1 17 17 THR CA C 13 67.551 . . 1 . . . . . . . . 5766 1 90 . 1 1 17 17 THR HA H 1 4.438 . . 1 . . . . . . . . 5766 1 91 . 1 1 17 17 THR HB H 1 3.807 . . 1 . . . . . . . . 5766 1 92 . 1 1 17 17 THR CG2 C 13 24.119 . . 1 . . . . . . . . 5766 1 93 . 1 1 17 17 THR HG21 H 1 1.390 . . 1 . . . . . . . . 5766 1 94 . 1 1 17 17 THR HG22 H 1 1.390 . . 1 . . . . . . . . 5766 1 95 . 1 1 17 17 THR HG23 H 1 1.390 . . 1 . . . . . . . . 5766 1 96 . 1 1 17 17 THR C C 13 176.992 . . 1 . . . . . . . . 5766 1 97 . 1 1 18 18 GLU N N 15 121.146 . . 1 . . . . . . . . 5766 1 98 . 1 1 18 18 GLU H H 1 8.674 . . 1 . . . . . . . . 5766 1 99 . 1 1 18 18 GLU CA C 13 59.797 . . 1 . . . . . . . . 5766 1 100 . 1 1 18 18 GLU HA H 1 4.260 . . 1 . . . . . . . . 5766 1 101 . 1 1 18 18 GLU CB C 13 29.520 . . 1 . . . . . . . . 5766 1 102 . 1 1 18 18 GLU HB3 H 1 2.253 . . 2 . . . . . . . . 5766 1 103 . 1 1 18 18 GLU HB2 H 1 2.125 . . 2 . . . . . . . . 5766 1 104 . 1 1 18 18 GLU CG C 13 36.737 . . 1 . . . . . . . . 5766 1 105 . 1 1 18 18 GLU HG2 H 1 2.453 . . 2 . . . . . . . . 5766 1 106 . 1 1 19 19 LYS N N 15 117.343 . . 1 . . . . . . . . 5766 1 107 . 1 1 19 19 LYS H H 1 6.989 . . 1 . . . . . . . . 5766 1 108 . 1 1 19 19 LYS CA C 13 58.284 . . 1 . . . . . . . . 5766 1 109 . 1 1 19 19 LYS HA H 1 4.301 . . 1 . . . . . . . . 5766 1 110 . 1 1 19 19 LYS CB C 13 32.789 . . 1 . . . . . . . . 5766 1 111 . 1 1 19 19 LYS HB3 H 1 2.104 . . 2 . . . . . . . . 5766 1 112 . 1 1 19 19 LYS HB2 H 1 1.997 . . 2 . . . . . . . . 5766 1 113 . 1 1 19 19 LYS CG C 13 25.725 . . 1 . . . . . . . . 5766 1 114 . 1 1 19 19 LYS HG2 H 1 1.639 . . 2 . . . . . . . . 5766 1 115 . 1 1 19 19 LYS CD C 13 28.974 . . 1 . . . . . . . . 5766 1 116 . 1 1 19 19 LYS HD2 H 1 1.797 . . 2 . . . . . . . . 5766 1 117 . 1 1 19 19 LYS CE C 13 42.496 . . 1 . . . . . . . . 5766 1 118 . 1 1 19 19 LYS HE2 H 1 3.148 . . 2 . . . . . . . . 5766 1 119 . 1 1 19 19 LYS C C 13 180.163 . . 1 . . . . . . . . 5766 1 120 . 1 1 20 20 LEU N N 15 119.049 . . 1 . . . . . . . . 5766 1 121 . 1 1 20 20 LEU H H 1 8.175 . . 1 . . . . . . . . 5766 1 122 . 1 1 20 20 LEU CA C 13 57.971 . . 1 . . . . . . . . 5766 1 123 . 1 1 20 20 LEU CB C 13 42.709 . . 1 . . . . . . . . 5766 1 124 . 1 1 20 20 LEU HB3 H 1 2.051 . . 2 . . . . . . . . 5766 1 125 . 1 1 20 20 LEU HB2 H 1 1.962 . . 2 . . . . . . . . 5766 1 126 . 1 1 20 20 LEU CG C 13 26.929 . . 1 . . . . . . . . 5766 1 127 . 1 1 20 20 LEU HG H 1 1.514 . . 1 . . . . . . . . 5766 1 128 . 1 1 20 20 LEU CD1 C 13 23.076 . . 2 . . . . . . . . 5766 1 129 . 1 1 20 20 LEU HD11 H 1 0.845 . . 4 . . . . . . . . 5766 1 130 . 1 1 20 20 LEU HD12 H 1 0.845 . . 4 . . . . . . . . 5766 1 131 . 1 1 20 20 LEU HD13 H 1 0.845 . . 4 . . . . . . . . 5766 1 132 . 1 1 20 20 LEU C C 13 178.851 . . 1 . . . . . . . . 5766 1 133 . 1 1 21 21 GLU N N 15 119.181 . . 1 . . . . . . . . 5766 1 134 . 1 1 21 21 GLU H H 1 8.707 . . 1 . . . . . . . . 5766 1 135 . 1 1 21 21 GLU CA C 13 60.011 . . 1 . . . . . . . . 5766 1 136 . 1 1 21 21 GLU HA H 1 4.018 . . 1 . . . . . . . . 5766 1 137 . 1 1 21 21 GLU CB C 13 29.971 . . 1 . . . . . . . . 5766 1 138 . 1 1 21 21 GLU HB3 H 1 2.293 . . 2 . . . . . . . . 5766 1 139 . 1 1 21 21 GLU HB2 H 1 2.149 . . 2 . . . . . . . . 5766 1 140 . 1 1 21 21 GLU CG C 13 37.396 . . 1 . . . . . . . . 5766 1 141 . 1 1 21 21 GLU HG3 H 1 2.575 . . 2 . . . . . . . . 5766 1 142 . 1 1 21 21 GLU HG2 H 1 2.403 . . 2 . . . . . . . . 5766 1 143 . 1 1 21 21 GLU C C 13 179.122 . . 1 . . . . . . . . 5766 1 144 . 1 1 22 22 VAL N N 15 118.919 . . 1 . . . . . . . . 5766 1 145 . 1 1 22 22 VAL H H 1 7.105 . . 1 . . . . . . . . 5766 1 146 . 1 1 22 22 VAL CA C 13 66.375 . . 1 . . . . . . . . 5766 1 147 . 1 1 22 22 VAL HA H 1 3.718 . . 1 . . . . . . . . 5766 1 148 . 1 1 22 22 VAL CB C 13 32.237 . . 1 . . . . . . . . 5766 1 149 . 1 1 22 22 VAL HB H 1 2.259 . . 1 . . . . . . . . 5766 1 150 . 1 1 22 22 VAL CG2 C 13 22.392 . . 2 . . . . . . . . 5766 1 151 . 1 1 22 22 VAL HG21 H 1 1.232 . . 4 . . . . . . . . 5766 1 152 . 1 1 22 22 VAL HG22 H 1 1.232 . . 4 . . . . . . . . 5766 1 153 . 1 1 22 22 VAL HG23 H 1 1.232 . . 4 . . . . . . . . 5766 1 154 . 1 1 22 22 VAL CG1 C 13 21.255 . . 2 . . . . . . . . 5766 1 155 . 1 1 22 22 VAL HG11 H 1 1.031 . . 4 . . . . . . . . 5766 1 156 . 1 1 22 22 VAL HG12 H 1 1.031 . . 4 . . . . . . . . 5766 1 157 . 1 1 22 22 VAL HG13 H 1 1.031 . . 4 . . . . . . . . 5766 1 158 . 1 1 22 22 VAL C C 13 179.067 . . 1 . . . . . . . . 5766 1 159 . 1 1 23 23 LEU N N 15 120.860 . . 1 . . . . . . . . 5766 1 160 . 1 1 23 23 LEU H H 1 7.304 . . 1 . . . . . . . . 5766 1 161 . 1 1 23 23 LEU CA C 13 57.593 . . 1 . . . . . . . . 5766 1 162 . 1 1 23 23 LEU HA H 1 3.940 . . 1 . . . . . . . . 5766 1 163 . 1 1 23 23 LEU CB C 13 41.582 . . 1 . . . . . . . . 5766 1 164 . 1 1 23 23 LEU HB2 H 1 1.778 . . 2 . . . . . . . . 5766 1 165 . 1 1 23 23 LEU CG C 13 27.115 . . 1 . . . . . . . . 5766 1 166 . 1 1 23 23 LEU HG H 1 1.203 . . 1 . . . . . . . . 5766 1 167 . 1 1 23 23 LEU CD1 C 13 22.956 . . 2 . . . . . . . . 5766 1 168 . 1 1 23 23 LEU HD11 H 1 0.890 . . 4 . . . . . . . . 5766 1 169 . 1 1 23 23 LEU HD12 H 1 0.890 . . 4 . . . . . . . . 5766 1 170 . 1 1 23 23 LEU HD13 H 1 0.890 . . 4 . . . . . . . . 5766 1 171 . 1 1 23 23 LEU CD2 C 13 25.708 . . 2 . . . . . . . . 5766 1 172 . 1 1 23 23 LEU HD21 H 1 0.998 . . 4 . . . . . . . . 5766 1 173 . 1 1 23 23 LEU HD22 H 1 0.998 . . 4 . . . . . . . . 5766 1 174 . 1 1 23 23 LEU HD23 H 1 0.998 . . 4 . . . . . . . . 5766 1 175 . 1 1 23 23 LEU C C 13 178.181 . . 1 . . . . . . . . 5766 1 176 . 1 1 24 24 ALA N N 15 120.577 . . 1 . . . . . . . . 5766 1 177 . 1 1 24 24 ALA H H 1 8.531 . . 1 . . . . . . . . 5766 1 178 . 1 1 24 24 ALA CA C 13 55.670 . . 1 . . . . . . . . 5766 1 179 . 1 1 24 24 ALA HA H 1 3.806 . . 1 . . . . . . . . 5766 1 180 . 1 1 24 24 ALA CB C 13 18.503 . . 1 . . . . . . . . 5766 1 181 . 1 1 24 24 ALA HB1 H 1 1.579 . . 1 . . . . . . . . 5766 1 182 . 1 1 24 24 ALA HB2 H 1 1.579 . . 1 . . . . . . . . 5766 1 183 . 1 1 24 24 ALA HB3 H 1 1.579 . . 1 . . . . . . . . 5766 1 184 . 1 1 24 24 ALA C C 13 179.713 . . 1 . . . . . . . . 5766 1 185 . 1 1 25 25 LYS N N 15 116.858 . . 1 . . . . . . . . 5766 1 186 . 1 1 25 25 LYS H H 1 7.795 . . 1 . . . . . . . . 5766 1 187 . 1 1 25 25 LYS CA C 13 58.840 . . 1 . . . . . . . . 5766 1 188 . 1 1 25 25 LYS HA H 1 4.116 . . 1 . . . . . . . . 5766 1 189 . 1 1 25 25 LYS CB C 13 32.351 . . 1 . . . . . . . . 5766 1 190 . 1 1 25 25 LYS HB2 H 1 1.970 . . 2 . . . . . . . . 5766 1 191 . 1 1 25 25 LYS CG C 13 25.247 . . 1 . . . . . . . . 5766 1 192 . 1 1 25 25 LYS HG2 H 1 1.542 . . 2 . . . . . . . . 5766 1 193 . 1 1 25 25 LYS CD C 13 29.360 . . 1 . . . . . . . . 5766 1 194 . 1 1 25 25 LYS HD2 H 1 1.781 . . 2 . . . . . . . . 5766 1 195 . 1 1 25 25 LYS CE C 13 42.302 . . 1 . . . . . . . . 5766 1 196 . 1 1 25 25 LYS HE2 H 1 3.049 . . 2 . . . . . . . . 5766 1 197 . 1 1 25 25 LYS C C 13 178.259 . . 1 . . . . . . . . 5766 1 198 . 1 1 26 26 ALA N N 15 122.123 . . 1 . . . . . . . . 5766 1 199 . 1 1 26 26 ALA H H 1 7.671 . . 1 . . . . . . . . 5766 1 200 . 1 1 26 26 ALA CA C 13 54.837 . . 1 . . . . . . . . 5766 1 201 . 1 1 26 26 ALA HA H 1 4.197 . . 1 . . . . . . . . 5766 1 202 . 1 1 26 26 ALA CB C 13 17.864 . . 1 . . . . . . . . 5766 1 203 . 1 1 26 26 ALA HB1 H 1 1.357 . . 1 . . . . . . . . 5766 1 204 . 1 1 26 26 ALA HB2 H 1 1.357 . . 1 . . . . . . . . 5766 1 205 . 1 1 26 26 ALA HB3 H 1 1.357 . . 1 . . . . . . . . 5766 1 206 . 1 1 26 26 ALA C C 13 180.594 . . 1 . . . . . . . . 5766 1 207 . 1 1 27 27 TYR N N 15 116.913 . . 1 . . . . . . . . 5766 1 208 . 1 1 27 27 TYR H H 1 8.215 . . 1 . . . . . . . . 5766 1 209 . 1 1 27 27 TYR CA C 13 61.213 . . 1 . . . . . . . . 5766 1 210 . 1 1 27 27 TYR HA H 1 4.494 . . 1 . . . . . . . . 5766 1 211 . 1 1 27 27 TYR CB C 13 37.359 . . 1 . . . . . . . . 5766 1 212 . 1 1 27 27 TYR HB3 H 1 3.365 . . 2 . . . . . . . . 5766 1 213 . 1 1 27 27 TYR HB2 H 1 2.829 . . 2 . . . . . . . . 5766 1 214 . 1 1 27 27 TYR CD1 C 13 132.808 . . 2 . . . . . . . . 5766 1 215 . 1 1 27 27 TYR HD1 H 1 7.024 . . 2 . . . . . . . . 5766 1 216 . 1 1 27 27 TYR CE1 C 13 118.518 . . 2 . . . . . . . . 5766 1 217 . 1 1 27 27 TYR HE1 H 1 6.701 . . 2 . . . . . . . . 5766 1 218 . 1 1 27 27 TYR C C 13 177.996 . . 1 . . . . . . . . 5766 1 219 . 1 1 28 28 SER N N 15 115.508 . . 1 . . . . . . . . 5766 1 220 . 1 1 28 28 SER H H 1 8.236 . . 1 . . . . . . . . 5766 1 221 . 1 1 28 28 SER CA C 13 61.493 . . 1 . . . . . . . . 5766 1 222 . 1 1 28 28 SER HA H 1 4.281 . . 1 . . . . . . . . 5766 1 223 . 1 1 28 28 SER CB C 13 62.563 . . 1 . . . . . . . . 5766 1 224 . 1 1 28 28 SER C C 13 178.039 . . 1 . . . . . . . . 5766 1 225 . 1 1 29 29 VAL N N 15 121.634 . . 1 . . . . . . . . 5766 1 226 . 1 1 29 29 VAL H H 1 8.301 . . 1 . . . . . . . . 5766 1 227 . 1 1 29 29 VAL CA C 13 65.367 . . 1 . . . . . . . . 5766 1 228 . 1 1 29 29 VAL HA H 1 3.967 . . 1 . . . . . . . . 5766 1 229 . 1 1 29 29 VAL CB C 13 31.889 . . 1 . . . . . . . . 5766 1 230 . 1 1 29 29 VAL HB H 1 2.287 . . 1 . . . . . . . . 5766 1 231 . 1 1 29 29 VAL CG2 C 13 22.237 . . 2 . . . . . . . . 5766 1 232 . 1 1 29 29 VAL HG21 H 1 1.122 . . 4 . . . . . . . . 5766 1 233 . 1 1 29 29 VAL HG22 H 1 1.122 . . 4 . . . . . . . . 5766 1 234 . 1 1 29 29 VAL HG23 H 1 1.122 . . 4 . . . . . . . . 5766 1 235 . 1 1 29 29 VAL CG1 C 13 21.258 . . 2 . . . . . . . . 5766 1 236 . 1 1 29 29 VAL HG11 H 1 1.031 . . 4 . . . . . . . . 5766 1 237 . 1 1 29 29 VAL HG12 H 1 1.031 . . 4 . . . . . . . . 5766 1 238 . 1 1 29 29 VAL HG13 H 1 1.031 . . 4 . . . . . . . . 5766 1 239 . 1 1 29 29 VAL C C 13 177.736 . . 1 . . . . . . . . 5766 1 240 . 1 1 30 30 GLN N N 15 117.640 . . 1 . . . . . . . . 5766 1 241 . 1 1 30 30 GLN H H 1 7.788 . . 1 . . . . . . . . 5766 1 242 . 1 1 30 30 GLN CA C 13 56.603 . . 1 . . . . . . . . 5766 1 243 . 1 1 30 30 GLN HA H 1 4.403 . . 1 . . . . . . . . 5766 1 244 . 1 1 30 30 GLN CB C 13 29.281 . . 1 . . . . . . . . 5766 1 245 . 1 1 30 30 GLN HB3 H 1 2.394 . . 2 . . . . . . . . 5766 1 246 . 1 1 30 30 GLN HB2 H 1 2.247 . . 2 . . . . . . . . 5766 1 247 . 1 1 30 30 GLN CG C 13 34.269 . . 1 . . . . . . . . 5766 1 248 . 1 1 30 30 GLN HG2 H 1 2.629 . . 2 . . . . . . . . 5766 1 249 . 1 1 30 30 GLN C C 13 176.556 . . 1 . . . . . . . . 5766 1 250 . 1 1 31 31 GLY N N 15 106.776 . . 1 . . . . . . . . 5766 1 251 . 1 1 31 31 GLY H H 1 7.939 . . 1 . . . . . . . . 5766 1 252 . 1 1 31 31 GLY CA C 13 45.567 . . 1 . . . . . . . . 5766 1 253 . 1 1 31 31 GLY HA3 H 1 4.321 . . 2 . . . . . . . . 5766 1 254 . 1 1 31 31 GLY HA2 H 1 3.905 . . 2 . . . . . . . . 5766 1 255 . 1 1 31 31 GLY C C 13 174.265 . . 1 . . . . . . . . 5766 1 256 . 1 1 32 32 ASP N N 15 122.276 . . 1 . . . . . . . . 5766 1 257 . 1 1 32 32 ASP H H 1 8.309 . . 1 . . . . . . . . 5766 1 258 . 1 1 32 32 ASP CA C 13 52.539 . . 1 . . . . . . . . 5766 1 259 . 1 1 32 32 ASP HA H 1 5.027 . . 1 . . . . . . . . 5766 1 260 . 1 1 32 32 ASP CB C 13 40.155 . . 1 . . . . . . . . 5766 1 261 . 1 1 32 32 ASP HB3 H 1 3.088 . . 2 . . . . . . . . 5766 1 262 . 1 1 32 32 ASP HB2 H 1 2.621 . . 2 . . . . . . . . 5766 1 263 . 1 1 33 33 LYS N N 15 122.901 . . 1 . . . . . . . . 5766 1 264 . 1 1 33 33 LYS H H 1 8.000 . . 1 . . . . . . . . 5766 1 265 . 1 1 33 33 LYS CA C 13 59.117 . . 1 . . . . . . . . 5766 1 266 . 1 1 33 33 LYS HA H 1 4.006 . . 1 . . . . . . . . 5766 1 267 . 1 1 33 33 LYS CB C 13 32.421 . . 1 . . . . . . . . 5766 1 268 . 1 1 33 33 LYS HB2 H 1 1.739 . . 2 . . . . . . . . 5766 1 269 . 1 1 33 33 LYS CG C 13 24.703 . . 1 . . . . . . . . 5766 1 270 . 1 1 33 33 LYS HG2 H 1 1.261 . . 2 . . . . . . . . 5766 1 271 . 1 1 33 33 LYS CD C 13 29.217 . . 1 . . . . . . . . 5766 1 272 . 1 1 33 33 LYS HD2 H 1 1.620 . . 2 . . . . . . . . 5766 1 273 . 1 1 33 33 LYS CE C 13 42.088 . . 1 . . . . . . . . 5766 1 274 . 1 1 33 33 LYS HE2 H 1 2.896 . . 2 . . . . . . . . 5766 1 275 . 1 1 33 33 LYS C C 13 178.538 . . 1 . . . . . . . . 5766 1 276 . 1 1 34 34 TRP N N 15 119.597 . . 1 . . . . . . . . 5766 1 277 . 1 1 34 34 TRP H H 1 8.333 . . 1 . . . . . . . . 5766 1 278 . 1 1 34 34 TRP CA C 13 60.007 . . 1 . . . . . . . . 5766 1 279 . 1 1 34 34 TRP HA H 1 4.544 . . 1 . . . . . . . . 5766 1 280 . 1 1 34 34 TRP CB C 13 28.824 . . 1 . . . . . . . . 5766 1 281 . 1 1 34 34 TRP HB2 H 1 3.448 . . 2 . . . . . . . . 5766 1 282 . 1 1 34 34 TRP CD1 C 13 127.662 . . 2 . . . . . . . . 5766 1 283 . 1 1 34 34 TRP HD1 H 1 7.442 . . 1 . . . . . . . . 5766 1 284 . 1 1 34 34 TRP NE1 N 15 129.468 . . 1 . . . . . . . . 5766 1 285 . 1 1 34 34 TRP HE1 H 1 10.242 . . 2 . . . . . . . . 5766 1 286 . 1 1 34 34 TRP C C 13 179.397 . . 1 . . . . . . . . 5766 1 287 . 1 1 35 35 ARG N N 15 110.052 . . 1 . . . . . . . . 5766 1 288 . 1 1 35 35 ARG H H 1 7.976 . . 1 . . . . . . . . 5766 1 289 . 1 1 35 35 ARG CA C 13 59.320 . . 1 . . . . . . . . 5766 1 290 . 1 1 35 35 ARG HA H 1 4.002 . . 1 . . . . . . . . 5766 1 291 . 1 1 35 35 ARG CB C 13 30.045 . . 1 . . . . . . . . 5766 1 292 . 1 1 35 35 ARG HB3 H 1 1.395 . . 2 . . . . . . . . 5766 1 293 . 1 1 35 35 ARG HB2 H 1 1.105 . . 2 . . . . . . . . 5766 1 294 . 1 1 35 35 ARG CG C 13 28.601 . . 1 . . . . . . . . 5766 1 295 . 1 1 35 35 ARG HG3 H 1 1.661 . . 2 . . . . . . . . 5766 1 296 . 1 1 35 35 ARG HG2 H 1 1.174 . . 2 . . . . . . . . 5766 1 297 . 1 1 35 35 ARG CD C 13 43.333 . . 1 . . . . . . . . 5766 1 298 . 1 1 35 35 ARG HD2 H 1 2.780 . . 2 . . . . . . . . 5766 1 299 . 1 1 35 35 ARG C C 13 179.079 . . 1 . . . . . . . . 5766 1 300 . 1 1 36 36 ALA N N 15 121.301 . . 1 . . . . . . . . 5766 1 301 . 1 1 36 36 ALA H H 1 8.186 . . 1 . . . . . . . . 5766 1 302 . 1 1 36 36 ALA CA C 13 56.370 . . 1 . . . . . . . . 5766 1 303 . 1 1 36 36 ALA HA H 1 4.192 . . 1 . . . . . . . . 5766 1 304 . 1 1 36 36 ALA CB C 13 18.606 . . 1 . . . . . . . . 5766 1 305 . 1 1 36 36 ALA HB1 H 1 1.615 . . 1 . . . . . . . . 5766 1 306 . 1 1 36 36 ALA HB2 H 1 1.615 . . 1 . . . . . . . . 5766 1 307 . 1 1 36 36 ALA HB3 H 1 1.615 . . 1 . . . . . . . . 5766 1 308 . 1 1 36 36 ALA C C 13 179.814 . . 1 . . . . . . . . 5766 1 309 . 1 1 37 37 LEU N N 15 119.184 . . 1 . . . . . . . . 5766 1 310 . 1 1 37 37 LEU H H 1 8.171 . . 1 . . . . . . . . 5766 1 311 . 1 1 37 37 LEU CA C 13 57.618 . . 1 . . . . . . . . 5766 1 312 . 1 1 37 37 LEU HA H 1 4.311 . . 1 . . . . . . . . 5766 1 313 . 1 1 37 37 LEU CB C 13 41.972 . . 1 . . . . . . . . 5766 1 314 . 1 1 37 37 LEU HB3 H 1 1.855 . . 2 . . . . . . . . 5766 1 315 . 1 1 37 37 LEU HB2 H 1 1.762 . . 2 . . . . . . . . 5766 1 316 . 1 1 37 37 LEU CG C 13 27.115 . . 1 . . . . . . . . 5766 1 317 . 1 1 37 37 LEU HG H 1 1.772 . . 1 . . . . . . . . 5766 1 318 . 1 1 37 37 LEU CD1 C 13 24.419 . . 2 . . . . . . . . 5766 1 319 . 1 1 37 37 LEU HD11 H 1 0.992 . . 4 . . . . . . . . 5766 1 320 . 1 1 37 37 LEU HD12 H 1 0.992 . . 4 . . . . . . . . 5766 1 321 . 1 1 37 37 LEU HD13 H 1 0.992 . . 4 . . . . . . . . 5766 1 322 . 1 1 37 37 LEU C C 13 179.320 . . 1 . . . . . . . . 5766 1 323 . 1 1 38 38 GLY N N 15 107.245 . . 1 . . . . . . . . 5766 1 324 . 1 1 38 38 GLY H H 1 7.939 . . 1 . . . . . . . . 5766 1 325 . 1 1 38 38 GLY CA C 13 47.295 . . 1 . . . . . . . . 5766 1 326 . 1 1 38 38 GLY HA3 H 1 3.971 . . 2 . . . . . . . . 5766 1 327 . 1 1 38 38 GLY HA2 H 1 3.852 . . 2 . . . . . . . . 5766 1 328 . 1 1 38 38 GLY C C 13 177.537 . . 1 . . . . . . . . 5766 1 329 . 1 1 39 39 TYR N N 15 121.607 . . 1 . . . . . . . . 5766 1 330 . 1 1 39 39 TYR H H 1 8.251 . . 1 . . . . . . . . 5766 1 331 . 1 1 39 39 TYR CA C 13 62.889 . . 1 . . . . . . . . 5766 1 332 . 1 1 39 39 TYR HA H 1 4.241 . . 1 . . . . . . . . 5766 1 333 . 1 1 39 39 TYR CB C 13 38.492 . . 1 . . . . . . . . 5766 1 334 . 1 1 39 39 TYR HB2 H 1 3.036 . . 2 . . . . . . . . 5766 1 335 . 1 1 39 39 TYR CD1 C 13 132.460 . . 2 . . . . . . . . 5766 1 336 . 1 1 39 39 TYR HD1 H 1 7.246 . . 2 . . . . . . . . 5766 1 337 . 1 1 39 39 TYR CE1 C 13 118.806 . . 2 . . . . . . . . 5766 1 338 . 1 1 39 39 TYR HE1 H 1 6.731 . . 2 . . . . . . . . 5766 1 339 . 1 1 39 39 TYR C C 13 177.540 . . 1 . . . . . . . . 5766 1 340 . 1 1 40 40 ALA N N 15 122.326 . . 1 . . . . . . . . 5766 1 341 . 1 1 40 40 ALA H H 1 8.340 . . 1 . . . . . . . . 5766 1 342 . 1 1 40 40 ALA CA C 13 55.881 . . 1 . . . . . . . . 5766 1 343 . 1 1 40 40 ALA HA H 1 4.202 . . 1 . . . . . . . . 5766 1 344 . 1 1 40 40 ALA CB C 13 18.044 . . 1 . . . . . . . . 5766 1 345 . 1 1 40 40 ALA HB1 H 1 1.659 . . 1 . . . . . . . . 5766 1 346 . 1 1 40 40 ALA HB2 H 1 1.659 . . 1 . . . . . . . . 5766 1 347 . 1 1 40 40 ALA HB3 H 1 1.659 . . 1 . . . . . . . . 5766 1 348 . 1 1 40 40 ALA C C 13 180.644 . . 1 . . . . . . . . 5766 1 349 . 1 1 41 41 LYS N N 15 118.075 . . 1 . . . . . . . . 5766 1 350 . 1 1 41 41 LYS H H 1 8.404 . . 1 . . . . . . . . 5766 1 351 . 1 1 41 41 LYS CA C 13 59.683 . . 1 . . . . . . . . 5766 1 352 . 1 1 41 41 LYS HA H 1 4.150 . . 1 . . . . . . . . 5766 1 353 . 1 1 41 41 LYS CB C 13 32.617 . . 1 . . . . . . . . 5766 1 354 . 1 1 41 41 LYS HB2 H 1 2.013 . . 2 . . . . . . . . 5766 1 355 . 1 1 41 41 LYS CG C 13 25.532 . . 1 . . . . . . . . 5766 1 356 . 1 1 41 41 LYS HG2 H 1 1.585 . . 2 . . . . . . . . 5766 1 357 . 1 1 41 41 LYS CD C 13 29.585 . . 1 . . . . . . . . 5766 1 358 . 1 1 41 41 LYS HD2 H 1 1.806 . . 2 . . . . . . . . 5766 1 359 . 1 1 41 41 LYS CE C 13 42.184 . . 1 . . . . . . . . 5766 1 360 . 1 1 41 41 LYS HE2 H 1 3.077 . . 2 . . . . . . . . 5766 1 361 . 1 1 41 41 LYS C C 13 179.686 . . 1 . . . . . . . . 5766 1 362 . 1 1 42 42 ALA N N 15 122.593 . . 1 . . . . . . . . 5766 1 363 . 1 1 42 42 ALA H H 1 7.720 . . 1 . . . . . . . . 5766 1 364 . 1 1 42 42 ALA CA C 13 55.103 . . 1 . . . . . . . . 5766 1 365 . 1 1 42 42 ALA HA H 1 4.043 . . 1 . . . . . . . . 5766 1 366 . 1 1 42 42 ALA CB C 13 18.746 . . 1 . . . . . . . . 5766 1 367 . 1 1 42 42 ALA HB1 H 1 1.535 . . 1 . . . . . . . . 5766 1 368 . 1 1 42 42 ALA HB2 H 1 1.535 . . 1 . . . . . . . . 5766 1 369 . 1 1 42 42 ALA HB3 H 1 1.535 . . 1 . . . . . . . . 5766 1 370 . 1 1 42 42 ALA C C 13 179.049 . . 1 . . . . . . . . 5766 1 371 . 1 1 43 43 ILE N N 15 118.591 . . 1 . . . . . . . . 5766 1 372 . 1 1 43 43 ILE H H 1 8.682 . . 1 . . . . . . . . 5766 1 373 . 1 1 43 43 ILE CA C 13 66.521 . . 1 . . . . . . . . 5766 1 374 . 1 1 43 43 ILE HA H 1 3.460 . . 1 . . . . . . . . 5766 1 375 . 1 1 43 43 ILE CB C 13 38.390 . . 1 . . . . . . . . 5766 1 376 . 1 1 43 43 ILE HB H 1 2.077 . . 1 . . . . . . . . 5766 1 377 . 1 1 43 43 ILE CG1 C 13 32.238 . . 2 . . . . . . . . 5766 1 378 . 1 1 43 43 ILE HG12 H 1 2.031 . . 9 . . . . . . . . 5766 1 379 . 1 1 43 43 ILE CD1 C 13 13.977 . . 1 . . . . . . . . 5766 1 380 . 1 1 43 43 ILE HD11 H 1 0.898 . . 1 . . . . . . . . 5766 1 381 . 1 1 43 43 ILE HD12 H 1 0.898 . . 1 . . . . . . . . 5766 1 382 . 1 1 43 43 ILE HD13 H 1 0.898 . . 1 . . . . . . . . 5766 1 383 . 1 1 43 43 ILE CG2 C 13 17.942 . . 2 . . . . . . . . 5766 1 384 . 1 1 43 43 ILE HG21 H 1 1.025 . . 4 . . . . . . . . 5766 1 385 . 1 1 43 43 ILE HG22 H 1 1.025 . . 4 . . . . . . . . 5766 1 386 . 1 1 43 43 ILE HG23 H 1 1.025 . . 4 . . . . . . . . 5766 1 387 . 1 1 43 43 ILE C C 13 177.587 . . 1 . . . . . . . . 5766 1 388 . 1 1 44 44 ASN N N 15 117.227 . . 1 . . . . . . . . 5766 1 389 . 1 1 44 44 ASN H H 1 8.001 . . 1 . . . . . . . . 5766 1 390 . 1 1 44 44 ASN CA C 13 56.615 . . 1 . . . . . . . . 5766 1 391 . 1 1 44 44 ASN HA H 1 4.455 . . 1 . . . . . . . . 5766 1 392 . 1 1 44 44 ASN CB C 13 38.286 . . 1 . . . . . . . . 5766 1 393 . 1 1 44 44 ASN HB2 H 1 2.918 . . 2 . . . . . . . . 5766 1 394 . 1 1 44 44 ASN C C 13 177.906 . . 1 . . . . . . . . 5766 1 395 . 1 1 45 45 ALA N N 15 122.685 . . 1 . . . . . . . . 5766 1 396 . 1 1 45 45 ALA H H 1 8.004 . . 1 . . . . . . . . 5766 1 397 . 1 1 45 45 ALA CA C 13 54.893 . . 1 . . . . . . . . 5766 1 398 . 1 1 45 45 ALA HA H 1 4.257 . . 1 . . . . . . . . 5766 1 399 . 1 1 45 45 ALA CB C 13 18.775 . . 1 . . . . . . . . 5766 1 400 . 1 1 45 45 ALA HB1 H 1 1.578 . . 1 . . . . . . . . 5766 1 401 . 1 1 45 45 ALA HB2 H 1 1.578 . . 1 . . . . . . . . 5766 1 402 . 1 1 45 45 ALA HB3 H 1 1.578 . . 1 . . . . . . . . 5766 1 403 . 1 1 45 45 ALA C C 13 180.644 . . 1 . . . . . . . . 5766 1 404 . 1 1 46 46 LEU N N 15 118.076 . . 1 . . . . . . . . 5766 1 405 . 1 1 46 46 LEU H H 1 8.404 . . 1 . . . . . . . . 5766 1 406 . 1 1 46 46 LEU CA C 13 57.829 . . 1 . . . . . . . . 5766 1 407 . 1 1 46 46 LEU HA H 1 4.066 . . 1 . . . . . . . . 5766 1 408 . 1 1 46 46 LEU CB C 13 42.824 . . 1 . . . . . . . . 5766 1 409 . 1 1 46 46 LEU HB3 H 1 2.018 . . 2 . . . . . . . . 5766 1 410 . 1 1 46 46 LEU HB2 H 1 1.256 . . 2 . . . . . . . . 5766 1 411 . 1 1 46 46 LEU CG C 13 27.461 . . 1 . . . . . . . . 5766 1 412 . 1 1 46 46 LEU HG H 1 1.819 . . 1 . . . . . . . . 5766 1 413 . 1 1 46 46 LEU CD1 C 13 24.224 . . 2 . . . . . . . . 5766 1 414 . 1 1 46 46 LEU HD11 H 1 0.760 . . 4 . . . . . . . . 5766 1 415 . 1 1 46 46 LEU HD12 H 1 0.760 . . 4 . . . . . . . . 5766 1 416 . 1 1 46 46 LEU HD13 H 1 0.760 . . 4 . . . . . . . . 5766 1 417 . 1 1 46 46 LEU CD2 C 13 26.786 . . 2 . . . . . . . . 5766 1 418 . 1 1 46 46 LEU HD21 H 1 0.765 . . 2 . . . . . . . . 5766 1 419 . 1 1 46 46 LEU HD22 H 1 0.765 . . 2 . . . . . . . . 5766 1 420 . 1 1 46 46 LEU HD23 H 1 0.765 . . 2 . . . . . . . . 5766 1 421 . 1 1 46 46 LEU C C 13 179.806 . . 1 . . . . . . . . 5766 1 422 . 1 1 47 47 LYS N N 15 118.993 . . 1 . . . . . . . . 5766 1 423 . 1 1 47 47 LYS H H 1 8.643 . . 1 . . . . . . . . 5766 1 424 . 1 1 47 47 LYS CA C 13 60.138 . . 1 . . . . . . . . 5766 1 425 . 1 1 47 47 LYS HA H 1 4.187 . . 1 . . . . . . . . 5766 1 426 . 1 1 47 47 LYS CB C 13 33.061 . . 1 . . . . . . . . 5766 1 427 . 1 1 47 47 LYS HB3 H 1 2.071 . . 2 . . . . . . . . 5766 1 428 . 1 1 47 47 LYS HB2 H 1 1.968 . . 2 . . . . . . . . 5766 1 429 . 1 1 47 47 LYS CG C 13 26.979 . . 1 . . . . . . . . 5766 1 430 . 1 1 47 47 LYS HG2 H 1 1.532 . . 2 . . . . . . . . 5766 1 431 . 1 1 47 47 LYS CD C 13 30.301 . . 1 . . . . . . . . 5766 1 432 . 1 1 47 47 LYS HD2 H 1 1.788 . . 2 . . . . . . . . 5766 1 433 . 1 1 47 47 LYS CE C 13 42.258 . . 1 . . . . . . . . 5766 1 434 . 1 1 47 47 LYS HE3 H 1 3.021 . . 2 . . . . . . . . 5766 1 435 . 1 1 47 47 LYS HE2 H 1 2.898 . . 2 . . . . . . . . 5766 1 436 . 1 1 47 47 LYS C C 13 177.680 . . 1 . . . . . . . . 5766 1 437 . 1 1 48 48 SER N N 15 109.776 . . 1 . . . . . . . . 5766 1 438 . 1 1 48 48 SER H H 1 7.391 . . 1 . . . . . . . . 5766 1 439 . 1 1 48 48 SER CA C 13 58.486 . . 1 . . . . . . . . 5766 1 440 . 1 1 48 48 SER HA H 1 4.691 . . 1 . . . . . . . . 5766 1 441 . 1 1 48 48 SER CB C 13 64.504 . . 1 . . . . . . . . 5766 1 442 . 1 1 48 48 SER HB2 H 1 4.145 . . 2 . . . . . . . . 5766 1 443 . 1 1 48 48 SER C C 13 174.069 . . 1 . . . . . . . . 5766 1 444 . 1 1 49 49 PHE N N 15 124.248 . . 1 . . . . . . . . 5766 1 445 . 1 1 49 49 PHE H H 1 7.574 . . 1 . . . . . . . . 5766 1 446 . 1 1 49 49 PHE CA C 13 59.383 . . 1 . . . . . . . . 5766 1 447 . 1 1 49 49 PHE CB C 13 39.905 . . 1 . . . . . . . . 5766 1 448 . 1 1 49 49 PHE HB3 H 1 3.007 . . 2 . . . . . . . . 5766 1 449 . 1 1 49 49 PHE HB2 H 1 3.634 . . 2 . . . . . . . . 5766 1 450 . 1 1 50 50 HIS CA C 13 58.091 . . 1 . . . . . . . . 5766 1 451 . 1 1 50 50 HIS HA H 1 4.544 . . 1 . . . . . . . . 5766 1 452 . 1 1 50 50 HIS CB C 13 30.793 . . 1 . . . . . . . . 5766 1 453 . 1 1 50 50 HIS HB3 H 1 3.309 . . 2 . . . . . . . . 5766 1 454 . 1 1 50 50 HIS HB2 H 1 2.999 . . 2 . . . . . . . . 5766 1 455 . 1 1 50 50 HIS C C 13 172.393 . . 1 . . . . . . . . 5766 1 456 . 1 1 51 51 LYS N N 15 116.998 . . 1 . . . . . . . . 5766 1 457 . 1 1 51 51 LYS H H 1 6.744 . . 1 . . . . . . . . 5766 1 458 . 1 1 51 51 LYS CA C 13 53.581 . . 1 . . . . . . . . 5766 1 459 . 1 1 51 51 LYS CB C 13 31.149 . . 1 . . . . . . . . 5766 1 460 . 1 1 52 52 PRO CA C 13 62.291 . . 1 . . . . . . . . 5766 1 461 . 1 1 52 52 PRO HA H 1 4.640 . . 1 . . . . . . . . 5766 1 462 . 1 1 52 52 PRO CB C 13 31.984 . . 1 . . . . . . . . 5766 1 463 . 1 1 52 52 PRO HB3 H 1 2.504 . . 2 . . . . . . . . 5766 1 464 . 1 1 52 52 PRO HB2 H 1 1.942 . . 2 . . . . . . . . 5766 1 465 . 1 1 52 52 PRO CG C 13 28.120 . . 1 . . . . . . . . 5766 1 466 . 1 1 52 52 PRO HG2 H 1 2.255 . . 2 . . . . . . . . 5766 1 467 . 1 1 52 52 PRO CD C 13 51.153 . . 1 . . . . . . . . 5766 1 468 . 1 1 52 52 PRO HD3 H 1 3.661 . . 2 . . . . . . . . 5766 1 469 . 1 1 52 52 PRO HD2 H 1 3.582 . . 2 . . . . . . . . 5766 1 470 . 1 1 52 52 PRO C C 13 176.911 . . 1 . . . . . . . . 5766 1 471 . 1 1 53 53 VAL N N 15 126.991 . . 1 . . . . . . . . 5766 1 472 . 1 1 53 53 VAL H H 1 9.570 . . 1 . . . . . . . . 5766 1 473 . 1 1 53 53 VAL CA C 13 63.198 . . 1 . . . . . . . . 5766 1 474 . 1 1 53 53 VAL HA H 1 4.182 . . 1 . . . . . . . . 5766 1 475 . 1 1 53 53 VAL CB C 13 32.253 . . 1 . . . . . . . . 5766 1 476 . 1 1 53 53 VAL HB H 1 1.875 . . 1 . . . . . . . . 5766 1 477 . 1 1 53 53 VAL CG2 C 13 22.867 . . 2 . . . . . . . . 5766 1 478 . 1 1 53 53 VAL HG21 H 1 0.871 . . 4 . . . . . . . . 5766 1 479 . 1 1 53 53 VAL HG22 H 1 0.871 . . 4 . . . . . . . . 5766 1 480 . 1 1 53 53 VAL HG23 H 1 0.871 . . 4 . . . . . . . . 5766 1 481 . 1 1 53 53 VAL CG1 C 13 21.923 . . 2 . . . . . . . . 5766 1 482 . 1 1 53 53 VAL HG11 H 1 0.876 . . 4 . . . . . . . . 5766 1 483 . 1 1 53 53 VAL HG12 H 1 0.876 . . 4 . . . . . . . . 5766 1 484 . 1 1 53 53 VAL HG13 H 1 0.876 . . 4 . . . . . . . . 5766 1 485 . 1 1 53 53 VAL C C 13 176.923 . . 1 . . . . . . . . 5766 1 486 . 1 1 54 54 THR N N 15 114.162 . . 1 . . . . . . . . 5766 1 487 . 1 1 54 54 THR H H 1 9.237 . . 1 . . . . . . . . 5766 1 488 . 1 1 54 54 THR CA C 13 61.512 . . 1 . . . . . . . . 5766 1 489 . 1 1 54 54 THR HA H 1 4.764 . . 1 . . . . . . . . 5766 1 490 . 1 1 54 54 THR CB C 13 71.422 . . 1 . . . . . . . . 5766 1 491 . 1 1 54 54 THR HB H 1 4.542 . . 1 . . . . . . . . 5766 1 492 . 1 1 54 54 THR CG2 C 13 21.593 . . 1 . . . . . . . . 5766 1 493 . 1 1 54 54 THR HG21 H 1 1.227 . . 1 . . . . . . . . 5766 1 494 . 1 1 54 54 THR HG22 H 1 1.227 . . 1 . . . . . . . . 5766 1 495 . 1 1 54 54 THR HG23 H 1 1.227 . . 1 . . . . . . . . 5766 1 496 . 1 1 54 54 THR C C 13 174.427 . . 1 . . . . . . . . 5766 1 497 . 1 1 55 55 SER N N 15 113.980 . . 1 . . . . . . . . 5766 1 498 . 1 1 55 55 SER H H 1 7.606 . . 1 . . . . . . . . 5766 1 499 . 1 1 55 55 SER CA C 13 56.884 . . 1 . . . . . . . . 5766 1 500 . 1 1 55 55 SER HA H 1 4.975 . . 1 . . . . . . . . 5766 1 501 . 1 1 55 55 SER CB C 13 67.424 . . 1 . . . . . . . . 5766 1 502 . 1 1 55 55 SER HB3 H 1 4.367 . . 2 . . . . . . . . 5766 1 503 . 1 1 55 55 SER HB2 H 1 4.046 . . 2 . . . . . . . . 5766 1 504 . 1 1 55 55 SER C C 13 173.877 . . 1 . . . . . . . . 5766 1 505 . 1 1 56 56 TYR N N 15 123.859 . . 1 . . . . . . . . 5766 1 506 . 1 1 56 56 TYR H H 1 9.542 . . 1 . . . . . . . . 5766 1 507 . 1 1 56 56 TYR CA C 13 61.956 . . 1 . . . . . . . . 5766 1 508 . 1 1 56 56 TYR HA H 1 4.026 . . 1 . . . . . . . . 5766 1 509 . 1 1 56 56 TYR CB C 13 38.613 . . 1 . . . . . . . . 5766 1 510 . 1 1 56 56 TYR HB3 H 1 3.285 . . 2 . . . . . . . . 5766 1 511 . 1 1 56 56 TYR HB2 H 1 3.022 . . 2 . . . . . . . . 5766 1 512 . 1 1 56 56 TYR CD1 C 13 132.825 . . 2 . . . . . . . . 5766 1 513 . 1 1 56 56 TYR HD1 H 1 6.966 . . 2 . . . . . . . . 5766 1 514 . 1 1 56 56 TYR CE1 C 13 119.255 . . 2 . . . . . . . . 5766 1 515 . 1 1 56 56 TYR HE1 H 1 6.845 . . 2 . . . . . . . . 5766 1 516 . 1 1 56 56 TYR C C 13 176.762 . . 1 . . . . . . . . 5766 1 517 . 1 1 57 57 GLN N N 15 118.893 . . 1 . . . . . . . . 5766 1 518 . 1 1 57 57 GLN H H 1 8.997 . . 1 . . . . . . . . 5766 1 519 . 1 1 57 57 GLN CA C 13 59.540 . . 1 . . . . . . . . 5766 1 520 . 1 1 57 57 GLN HA H 1 3.843 . . 1 . . . . . . . . 5766 1 521 . 1 1 57 57 GLN CB C 13 27.886 . . 1 . . . . . . . . 5766 1 522 . 1 1 57 57 GLN HB3 H 1 2.206 . . 2 . . . . . . . . 5766 1 523 . 1 1 57 57 GLN HB2 H 1 2.086 . . 2 . . . . . . . . 5766 1 524 . 1 1 57 57 GLN CG C 13 34.138 . . 1 . . . . . . . . 5766 1 525 . 1 1 57 57 GLN HG2 H 1 2.593 . . 2 . . . . . . . . 5766 1 526 . 1 1 57 57 GLN C C 13 178.797 . . 1 . . . . . . . . 5766 1 527 . 1 1 58 58 GLU N N 15 118.956 . . 1 . . . . . . . . 5766 1 528 . 1 1 58 58 GLU H H 1 7.782 . . 1 . . . . . . . . 5766 1 529 . 1 1 58 58 GLU CA C 13 58.983 . . 1 . . . . . . . . 5766 1 530 . 1 1 58 58 GLU HA H 1 4.053 . . 1 . . . . . . . . 5766 1 531 . 1 1 58 58 GLU CB C 13 30.882 . . 1 . . . . . . . . 5766 1 532 . 1 1 58 58 GLU HB2 H 1 2.241 . . 2 . . . . . . . . 5766 1 533 . 1 1 58 58 GLU CG C 13 36.991 . . 1 . . . . . . . . 5766 1 534 . 1 1 58 58 GLU HG2 H 1 2.340 . . 2 . . . . . . . . 5766 1 535 . 1 1 58 58 GLU C C 13 179.430 . . 1 . . . . . . . . 5766 1 536 . 1 1 59 59 ALA N N 15 121.950 . . 1 . . . . . . . . 5766 1 537 . 1 1 59 59 ALA H H 1 8.144 . . 1 . . . . . . . . 5766 1 538 . 1 1 59 59 ALA CA C 13 55.317 . . 1 . . . . . . . . 5766 1 539 . 1 1 59 59 ALA HA H 1 3.803 . . 1 . . . . . . . . 5766 1 540 . 1 1 59 59 ALA CB C 13 17.524 . . 1 . . . . . . . . 5766 1 541 . 1 1 59 59 ALA HB1 H 1 1.372 . . 1 . . . . . . . . 5766 1 542 . 1 1 59 59 ALA HB2 H 1 1.372 . . 1 . . . . . . . . 5766 1 543 . 1 1 59 59 ALA HB3 H 1 1.372 . . 1 . . . . . . . . 5766 1 544 . 1 1 59 59 ALA C C 13 177.653 . . 1 . . . . . . . . 5766 1 545 . 1 1 60 60 CYS N N 15 109.664 . . 1 . . . . . . . . 5766 1 546 . 1 1 60 60 CYS H H 1 7.840 . . 1 . . . . . . . . 5766 1 547 . 1 1 60 60 CYS CA C 13 61.656 . . 1 . . . . . . . . 5766 1 548 . 1 1 60 60 CYS HA H 1 3.938 . . 1 . . . . . . . . 5766 1 549 . 1 1 60 60 CYS CB C 13 26.986 . . 1 . . . . . . . . 5766 1 550 . 1 1 60 60 CYS HB3 H 1 2.690 . . 2 . . . . . . . . 5766 1 551 . 1 1 60 60 CYS HB2 H 1 2.564 . . 2 . . . . . . . . 5766 1 552 . 1 1 60 60 CYS C C 13 175.341 . . 1 . . . . . . . . 5766 1 553 . 1 1 61 61 SER N N 15 114.429 . . 1 . . . . . . . . 5766 1 554 . 1 1 61 61 SER H H 1 7.480 . . 1 . . . . . . . . 5766 1 555 . 1 1 61 61 SER CA C 13 58.852 . . 1 . . . . . . . . 5766 1 556 . 1 1 61 61 SER HA H 1 4.514 . . 1 . . . . . . . . 5766 1 557 . 1 1 61 61 SER CB C 13 64.305 . . 1 . . . . . . . . 5766 1 558 . 1 1 61 61 SER HB3 H 1 4.182 . . 2 . . . . . . . . 5766 1 559 . 1 1 61 61 SER HB2 H 1 4.069 . . 2 . . . . . . . . 5766 1 560 . 1 1 61 61 SER C C 13 173.732 . . 1 . . . . . . . . 5766 1 561 . 1 1 62 62 ILE N N 15 126.829 . . 1 . . . . . . . . 5766 1 562 . 1 1 62 62 ILE H H 1 7.210 . . 1 . . . . . . . . 5766 1 563 . 1 1 62 62 ILE CA C 13 59.830 . . 1 . . . . . . . . 5766 1 564 . 1 1 62 62 ILE CB C 13 38.435 . . 1 . . . . . . . . 5766 1 565 . 1 1 62 62 ILE CD1 C 13 13.848 . . 1 . . . . . . . . 5766 1 566 . 1 1 62 62 ILE HD11 H 1 0.074 . . 1 . . . . . . . . 5766 1 567 . 1 1 62 62 ILE HD12 H 1 0.074 . . 1 . . . . . . . . 5766 1 568 . 1 1 62 62 ILE HD13 H 1 0.074 . . 1 . . . . . . . . 5766 1 569 . 1 1 62 62 ILE CG2 C 13 16.907 . . 1 . . . . . . . . 5766 1 570 . 1 1 62 62 ILE HG21 H 1 0.734 . . 1 . . . . . . . . 5766 1 571 . 1 1 62 62 ILE HG22 H 1 0.734 . . 1 . . . . . . . . 5766 1 572 . 1 1 62 62 ILE HG23 H 1 0.734 . . 1 . . . . . . . . 5766 1 573 . 1 1 63 63 PRO CA C 13 64.296 . . 1 . . . . . . . . 5766 1 574 . 1 1 63 63 PRO HA H 1 4.305 . . 1 . . . . . . . . 5766 1 575 . 1 1 63 63 PRO CB C 13 31.838 . . 1 . . . . . . . . 5766 1 576 . 1 1 63 63 PRO HB3 H 1 2.418 . . 2 . . . . . . . . 5766 1 577 . 1 1 63 63 PRO HB2 H 1 2.014 . . 2 . . . . . . . . 5766 1 578 . 1 1 63 63 PRO CG C 13 28.037 . . 1 . . . . . . . . 5766 1 579 . 1 1 63 63 PRO HG3 H 1 2.315 . . 2 . . . . . . . . 5766 1 580 . 1 1 63 63 PRO HG2 H 1 2.126 . . 2 . . . . . . . . 5766 1 581 . 1 1 63 63 PRO CD C 13 51.421 . . 1 . . . . . . . . 5766 1 582 . 1 1 63 63 PRO HD2 H 1 3.793 . . 2 . . . . . . . . 5766 1 583 . 1 1 63 63 PRO C C 13 177.326 . . 1 . . . . . . . . 5766 1 584 . 1 1 64 64 GLY N N 15 110.995 . . 1 . . . . . . . . 5766 1 585 . 1 1 64 64 GLY H H 1 8.592 . . 1 . . . . . . . . 5766 1 586 . 1 1 64 64 GLY CA C 13 44.974 . . 1 . . . . . . . . 5766 1 587 . 1 1 64 64 GLY HA3 H 1 4.265 . . 2 . . . . . . . . 5766 1 588 . 1 1 64 64 GLY HA2 H 1 3.617 . . 2 . . . . . . . . 5766 1 589 . 1 1 64 64 GLY C C 13 173.997 . . 1 . . . . . . . . 5766 1 590 . 1 1 65 65 ILE N N 15 120.242 . . 1 . . . . . . . . 5766 1 591 . 1 1 65 65 ILE H H 1 7.688 . . 1 . . . . . . . . 5766 1 592 . 1 1 65 65 ILE CA C 13 61.134 . . 1 . . . . . . . . 5766 1 593 . 1 1 65 65 ILE HA H 1 4.107 . . 1 . . . . . . . . 5766 1 594 . 1 1 65 65 ILE CB C 13 36.348 . . 1 . . . . . . . . 5766 1 595 . 1 1 65 65 ILE HB H 1 2.264 . . 1 . . . . . . . . 5766 1 596 . 1 1 65 65 ILE CG1 C 13 27.339 . . 2 . . . . . . . . 5766 1 597 . 1 1 65 65 ILE HG13 H 1 1.336 . . 9 . . . . . . . . 5766 1 598 . 1 1 65 65 ILE HG12 H 1 0.913 . . 9 . . . . . . . . 5766 1 599 . 1 1 65 65 ILE CD1 C 13 12.001 . . 1 . . . . . . . . 5766 1 600 . 1 1 65 65 ILE HD11 H 1 0.729 . . 1 . . . . . . . . 5766 1 601 . 1 1 65 65 ILE HD12 H 1 0.729 . . 1 . . . . . . . . 5766 1 602 . 1 1 65 65 ILE HD13 H 1 0.729 . . 1 . . . . . . . . 5766 1 603 . 1 1 65 65 ILE CG2 C 13 17.952 . . 2 . . . . . . . . 5766 1 604 . 1 1 65 65 ILE HG21 H 1 0.745 . . 4 . . . . . . . . 5766 1 605 . 1 1 65 65 ILE HG22 H 1 0.745 . . 4 . . . . . . . . 5766 1 606 . 1 1 65 65 ILE HG23 H 1 0.745 . . 4 . . . . . . . . 5766 1 607 . 1 1 65 65 ILE C C 13 175.530 . . 1 . . . . . . . . 5766 1 608 . 1 1 66 66 GLY N N 15 112.037 . . 1 . . . . . . . . 5766 1 609 . 1 1 66 66 GLY H H 1 7.991 . . 1 . . . . . . . . 5766 1 610 . 1 1 66 66 GLY CA C 13 44.275 . . 1 . . . . . . . . 5766 1 611 . 1 1 66 66 GLY HA3 H 1 4.310 . . 2 . . . . . . . . 5766 1 612 . 1 1 66 66 GLY HA2 H 1 4.062 . . 2 . . . . . . . . 5766 1 613 . 1 1 66 66 GLY C C 13 173.803 . . 1 . . . . . . . . 5766 1 614 . 1 1 67 67 LYS N N 15 119.437 . . 1 . . . . . . . . 5766 1 615 . 1 1 67 67 LYS H H 1 8.422 . . 1 . . . . . . . . 5766 1 616 . 1 1 67 67 LYS CA C 13 60.677 . . 1 . . . . . . . . 5766 1 617 . 1 1 67 67 LYS HA H 1 4.106 . . 1 . . . . . . . . 5766 1 618 . 1 1 67 67 LYS CB C 13 32.984 . . 1 . . . . . . . . 5766 1 619 . 1 1 67 67 LYS HB2 H 1 2.000 . . 2 . . . . . . . . 5766 1 620 . 1 1 67 67 LYS CG C 13 25.250 . . 1 . . . . . . . . 5766 1 621 . 1 1 67 67 LYS HG2 H 1 1.545 . . 2 . . . . . . . . 5766 1 622 . 1 1 67 67 LYS CD C 13 29.863 . . 1 . . . . . . . . 5766 1 623 . 1 1 67 67 LYS HD2 H 1 1.823 . . 2 . . . . . . . . 5766 1 624 . 1 1 67 67 LYS CE C 13 42.331 . . 1 . . . . . . . . 5766 1 625 . 1 1 67 67 LYS HE2 H 1 3.140 . . 2 . . . . . . . . 5766 1 626 . 1 1 68 68 ARG N N 15 117.274 . . 1 . . . . . . . . 5766 1 627 . 1 1 68 68 ARG H H 1 8.436 . . 1 . . . . . . . . 5766 1 628 . 1 1 68 68 ARG CA C 13 59.783 . . 1 . . . . . . . . 5766 1 629 . 1 1 68 68 ARG HA H 1 4.187 . . 1 . . . . . . . . 5766 1 630 . 1 1 68 68 ARG CB C 13 29.655 . . 1 . . . . . . . . 5766 1 631 . 1 1 68 68 ARG HB2 H 1 1.995 . . 2 . . . . . . . . 5766 1 632 . 1 1 68 68 ARG CG C 13 27.484 . . 1 . . . . . . . . 5766 1 633 . 1 1 68 68 ARG HG2 H 1 1.837 . . 2 . . . . . . . . 5766 1 634 . 1 1 68 68 ARG CD C 13 43.208 . . 1 . . . . . . . . 5766 1 635 . 1 1 68 68 ARG HD2 H 1 3.339 . . 2 . . . . . . . . 5766 1 636 . 1 1 68 68 ARG C C 13 179.789 . . 1 . . . . . . . . 5766 1 637 . 1 1 69 69 MET N N 15 119.422 . . 1 . . . . . . . . 5766 1 638 . 1 1 69 69 MET H H 1 8.003 . . 1 . . . . . . . . 5766 1 639 . 1 1 69 69 MET CA C 13 56.070 . . 1 . . . . . . . . 5766 1 640 . 1 1 69 69 MET HA H 1 4.554 . . 1 . . . . . . . . 5766 1 641 . 1 1 69 69 MET CB C 13 30.942 . . 1 . . . . . . . . 5766 1 642 . 1 1 69 69 MET HB3 H 1 2.164 . . 2 . . . . . . . . 5766 1 643 . 1 1 69 69 MET HB2 H 1 1.938 . . 2 . . . . . . . . 5766 1 644 . 1 1 69 69 MET CG C 13 32.233 . . 1 . . . . . . . . 5766 1 645 . 1 1 69 69 MET HG3 H 1 2.585 . . 2 . . . . . . . . 5766 1 646 . 1 1 69 69 MET HG2 H 1 2.397 . . 2 . . . . . . . . 5766 1 647 . 1 1 69 69 MET C C 13 178.162 . . 1 . . . . . . . . 5766 1 648 . 1 1 70 70 ALA N N 15 123.316 . . 1 . . . . . . . . 5766 1 649 . 1 1 70 70 ALA H H 1 8.652 . . 1 . . . . . . . . 5766 1 650 . 1 1 70 70 ALA CA C 13 56.092 . . 1 . . . . . . . . 5766 1 651 . 1 1 70 70 ALA HA H 1 3.849 . . 1 . . . . . . . . 5766 1 652 . 1 1 70 70 ALA CB C 13 19.706 . . 1 . . . . . . . . 5766 1 653 . 1 1 70 70 ALA HB1 H 1 1.381 . . 1 . . . . . . . . 5766 1 654 . 1 1 70 70 ALA HB2 H 1 1.381 . . 1 . . . . . . . . 5766 1 655 . 1 1 70 70 ALA HB3 H 1 1.381 . . 1 . . . . . . . . 5766 1 656 . 1 1 70 70 ALA C C 13 179.240 . . 1 . . . . . . . . 5766 1 657 . 1 1 71 71 GLU N N 15 116.117 . . 1 . . . . . . . . 5766 1 658 . 1 1 71 71 GLU H H 1 8.098 . . 1 . . . . . . . . 5766 1 659 . 1 1 71 71 GLU CA C 13 59.848 . . 1 . . . . . . . . 5766 1 660 . 1 1 71 71 GLU HA H 1 4.092 . . 1 . . . . . . . . 5766 1 661 . 1 1 71 71 GLU CB C 13 29.826 . . 1 . . . . . . . . 5766 1 662 . 1 1 71 71 GLU HB2 H 1 2.336 . . 2 . . . . . . . . 5766 1 663 . 1 1 71 71 GLU CG C 13 37.077 . . 1 . . . . . . . . 5766 1 664 . 1 1 71 71 GLU HG2 H 1 2.774 . . 2 . . . . . . . . 5766 1 665 . 1 1 71 71 GLU C C 13 179.479 . . 1 . . . . . . . . 5766 1 666 . 1 1 72 72 LYS N N 15 120.563 . . 1 . . . . . . . . 5766 1 667 . 1 1 72 72 LYS H H 1 7.664 . . 1 . . . . . . . . 5766 1 668 . 1 1 72 72 LYS CA C 13 57.492 . . 1 . . . . . . . . 5766 1 669 . 1 1 72 72 LYS HA H 1 4.311 . . 1 . . . . . . . . 5766 1 670 . 1 1 72 72 LYS CB C 13 30.891 . . 1 . . . . . . . . 5766 1 671 . 1 1 72 72 LYS HB2 H 1 2.183 . . 2 . . . . . . . . 5766 1 672 . 1 1 72 72 LYS CG C 13 23.805 . . 1 . . . . . . . . 5766 1 673 . 1 1 72 72 LYS HG2 H 1 1.560 . . 2 . . . . . . . . 5766 1 674 . 1 1 72 72 LYS CD C 13 27.896 . . 1 . . . . . . . . 5766 1 675 . 1 1 72 72 LYS HD2 H 1 1.892 . . 2 . . . . . . . . 5766 1 676 . 1 1 72 72 LYS CE C 13 41.947 . . 1 . . . . . . . . 5766 1 677 . 1 1 72 72 LYS HE2 H 1 3.055 . . 2 . . . . . . . . 5766 1 678 . 1 1 72 72 LYS C C 13 178.401 . . 1 . . . . . . . . 5766 1 679 . 1 1 73 73 ILE N N 15 119.438 . . 1 . . . . . . . . 5766 1 680 . 1 1 73 73 ILE H H 1 8.422 . . 1 . . . . . . . . 5766 1 681 . 1 1 73 73 ILE CA C 13 66.156 . . 1 . . . . . . . . 5766 1 682 . 1 1 73 73 ILE HA H 1 3.519 . . 1 . . . . . . . . 5766 1 683 . 1 1 73 73 ILE CB C 13 37.725 . . 1 . . . . . . . . 5766 1 684 . 1 1 73 73 ILE HB H 1 2.079 . . 1 . . . . . . . . 5766 1 685 . 1 1 73 73 ILE CG1 C 13 30.289 . . 2 . . . . . . . . 5766 1 686 . 1 1 73 73 ILE HG12 H 1 1.891 . . 9 . . . . . . . . 5766 1 687 . 1 1 73 73 ILE CD1 C 13 15.144 . . 1 . . . . . . . . 5766 1 688 . 1 1 73 73 ILE HD11 H 1 0.817 . . 1 . . . . . . . . 5766 1 689 . 1 1 73 73 ILE HD12 H 1 0.817 . . 1 . . . . . . . . 5766 1 690 . 1 1 73 73 ILE HD13 H 1 0.817 . . 1 . . . . . . . . 5766 1 691 . 1 1 73 73 ILE CG2 C 13 16.744 . . 2 . . . . . . . . 5766 1 692 . 1 1 73 73 ILE HG21 H 1 0.860 . . 4 . . . . . . . . 5766 1 693 . 1 1 73 73 ILE HG22 H 1 0.860 . . 4 . . . . . . . . 5766 1 694 . 1 1 73 73 ILE HG23 H 1 0.860 . . 4 . . . . . . . . 5766 1 695 . 1 1 73 73 ILE C C 13 176.994 . . 1 . . . . . . . . 5766 1 696 . 1 1 74 74 ILE N N 15 118.540 . . 1 . . . . . . . . 5766 1 697 . 1 1 74 74 ILE H H 1 7.980 . . 1 . . . . . . . . 5766 1 698 . 1 1 74 74 ILE CA C 13 62.059 . . 1 . . . . . . . . 5766 1 699 . 1 1 74 74 ILE HA H 1 4.049 . . 1 . . . . . . . . 5766 1 700 . 1 1 74 74 ILE CB C 13 35.888 . . 1 . . . . . . . . 5766 1 701 . 1 1 74 74 ILE HB H 1 2.222 . . 1 . . . . . . . . 5766 1 702 . 1 1 74 74 ILE CG1 C 13 28.204 . . 2 . . . . . . . . 5766 1 703 . 1 1 74 74 ILE HG13 H 1 1.958 . . 9 . . . . . . . . 5766 1 704 . 1 1 74 74 ILE HG12 H 1 1.471 . . 9 . . . . . . . . 5766 1 705 . 1 1 74 74 ILE CD1 C 13 10.090 . . 1 . . . . . . . . 5766 1 706 . 1 1 74 74 ILE HD11 H 1 0.737 . . 1 . . . . . . . . 5766 1 707 . 1 1 74 74 ILE HD12 H 1 0.737 . . 1 . . . . . . . . 5766 1 708 . 1 1 74 74 ILE HD13 H 1 0.737 . . 1 . . . . . . . . 5766 1 709 . 1 1 74 74 ILE CG2 C 13 18.460 . . 2 . . . . . . . . 5766 1 710 . 1 1 74 74 ILE HG21 H 1 1.099 . . 4 . . . . . . . . 5766 1 711 . 1 1 74 74 ILE HG22 H 1 1.099 . . 4 . . . . . . . . 5766 1 712 . 1 1 74 74 ILE HG23 H 1 1.099 . . 4 . . . . . . . . 5766 1 713 . 1 1 74 74 ILE C C 13 177.407 . . 1 . . . . . . . . 5766 1 714 . 1 1 75 75 GLU N N 15 109.801 . . 1 . . . . . . . . 5766 1 715 . 1 1 75 75 GLU H H 1 8.026 . . 1 . . . . . . . . 5766 1 716 . 1 1 75 75 GLU CA C 13 59.802 . . 1 . . . . . . . . 5766 1 717 . 1 1 75 75 GLU HA H 1 4.168 . . 1 . . . . . . . . 5766 1 718 . 1 1 75 75 GLU CB C 13 29.855 . . 1 . . . . . . . . 5766 1 719 . 1 1 75 75 GLU HB3 H 1 2.360 . . 2 . . . . . . . . 5766 1 720 . 1 1 75 75 GLU HB2 H 1 2.273 . . 2 . . . . . . . . 5766 1 721 . 1 1 75 75 GLU CG C 13 36.326 . . 1 . . . . . . . . 5766 1 722 . 1 1 75 75 GLU HG2 H 1 2.528 . . 2 . . . . . . . . 5766 1 723 . 1 1 75 75 GLU C C 13 180.189 . . 1 . . . . . . . . 5766 1 724 . 1 1 76 76 ILE N N 15 120.338 . . 1 . . . . . . . . 5766 1 725 . 1 1 76 76 ILE H H 1 8.163 . . 1 . . . . . . . . 5766 1 726 . 1 1 76 76 ILE CA C 13 64.995 . . 1 . . . . . . . . 5766 1 727 . 1 1 76 76 ILE HA H 1 3.805 . . 1 . . . . . . . . 5766 1 728 . 1 1 76 76 ILE CB C 13 37.973 . . 1 . . . . . . . . 5766 1 729 . 1 1 76 76 ILE HB H 1 2.178 . . 1 . . . . . . . . 5766 1 730 . 1 1 76 76 ILE CG1 C 13 29.430 . . 2 . . . . . . . . 5766 1 731 . 1 1 76 76 ILE HG13 H 1 1.923 . . 9 . . . . . . . . 5766 1 732 . 1 1 76 76 ILE HG12 H 1 1.200 . . 9 . . . . . . . . 5766 1 733 . 1 1 76 76 ILE CD1 C 13 14.503 . . 1 . . . . . . . . 5766 1 734 . 1 1 76 76 ILE HD11 H 1 0.874 . . 1 . . . . . . . . 5766 1 735 . 1 1 76 76 ILE HD12 H 1 0.874 . . 1 . . . . . . . . 5766 1 736 . 1 1 76 76 ILE HD13 H 1 0.874 . . 1 . . . . . . . . 5766 1 737 . 1 1 76 76 ILE CG2 C 13 18.312 . . 2 . . . . . . . . 5766 1 738 . 1 1 76 76 ILE HG21 H 1 1.037 . . 4 . . . . . . . . 5766 1 739 . 1 1 76 76 ILE HG22 H 1 1.037 . . 4 . . . . . . . . 5766 1 740 . 1 1 76 76 ILE HG23 H 1 1.037 . . 4 . . . . . . . . 5766 1 741 . 1 1 76 76 ILE C C 13 179.345 . . 1 . . . . . . . . 5766 1 742 . 1 1 77 77 LEU N N 15 122.332 . . 1 . . . . . . . . 5766 1 743 . 1 1 77 77 LEU H H 1 8.463 . . 1 . . . . . . . . 5766 1 744 . 1 1 77 77 LEU CA C 13 58.101 . . 1 . . . . . . . . 5766 1 745 . 1 1 77 77 LEU HA H 1 4.187 . . 1 . . . . . . . . 5766 1 746 . 1 1 77 77 LEU CB C 13 42.641 . . 1 . . . . . . . . 5766 1 747 . 1 1 77 77 LEU HB2 H 1 1.995 . . 2 . . . . . . . . 5766 1 748 . 1 1 77 77 LEU CG C 13 27.047 . . 1 . . . . . . . . 5766 1 749 . 1 1 77 77 LEU HG H 1 1.873 . . 1 . . . . . . . . 5766 1 750 . 1 1 77 77 LEU CD1 C 13 24.291 . . 2 . . . . . . . . 5766 1 751 . 1 1 77 77 LEU HD11 H 1 1.029 . . 4 . . . . . . . . 5766 1 752 . 1 1 77 77 LEU HD12 H 1 1.029 . . 4 . . . . . . . . 5766 1 753 . 1 1 77 77 LEU HD13 H 1 1.029 . . 4 . . . . . . . . 5766 1 754 . 1 1 77 77 LEU CD2 C 13 24.989 . . 2 . . . . . . . . 5766 1 755 . 1 1 77 77 LEU C C 13 179.451 . . 1 . . . . . . . . 5766 1 756 . 1 1 78 78 GLU N N 15 116.976 . . 1 . . . . . . . . 5766 1 757 . 1 1 78 78 GLU H H 1 8.630 . . 1 . . . . . . . . 5766 1 758 . 1 1 78 78 GLU CA C 13 58.179 . . 1 . . . . . . . . 5766 1 759 . 1 1 78 78 GLU HA H 1 4.308 . . 1 . . . . . . . . 5766 1 760 . 1 1 78 78 GLU CB C 13 29.904 . . 1 . . . . . . . . 5766 1 761 . 1 1 78 78 GLU HB2 H 1 2.215 . . 2 . . . . . . . . 5766 1 762 . 1 1 78 78 GLU CG C 13 37.024 . . 1 . . . . . . . . 5766 1 763 . 1 1 78 78 GLU HG3 H 1 2.596 . . 2 . . . . . . . . 5766 1 764 . 1 1 78 78 GLU HG2 H 1 2.367 . . 2 . . . . . . . . 5766 1 765 . 1 1 78 78 GLU C C 13 178.112 . . 1 . . . . . . . . 5766 1 766 . 1 1 79 79 SER N N 15 114.286 . . 1 . . . . . . . . 5766 1 767 . 1 1 79 79 SER H H 1 8.057 . . 1 . . . . . . . . 5766 1 768 . 1 1 79 79 SER CA C 13 60.007 . . 1 . . . . . . . . 5766 1 769 . 1 1 79 79 SER HA H 1 4.544 . . 1 . . . . . . . . 5766 1 770 . 1 1 79 79 SER CB C 13 64.187 . . 1 . . . . . . . . 5766 1 771 . 1 1 79 79 SER HB2 H 1 4.145 . . 2 . . . . . . . . 5766 1 772 . 1 1 79 79 SER C C 13 175.666 . . 1 . . . . . . . . 5766 1 773 . 1 1 80 80 GLY N N 15 110.066 . . 1 . . . . . . . . 5766 1 774 . 1 1 80 80 GLY H H 1 8.225 . . 1 . . . . . . . . 5766 1 775 . 1 1 80 80 GLY CA C 13 45.984 . . 1 . . . . . . . . 5766 1 776 . 1 1 81 81 HIS N N 15 118.855 . . 1 . . . . . . . . 5766 1 777 . 1 1 81 81 HIS H H 1 8.105 . . 1 . . . . . . . . 5766 1 778 . 1 1 81 81 HIS CA C 13 56.493 . . 1 . . . . . . . . 5766 1 779 . 1 1 81 81 HIS HA H 1 4.717 . . 1 . . . . . . . . 5766 1 780 . 1 1 81 81 HIS CB C 13 31.090 . . 1 . . . . . . . . 5766 1 781 . 1 1 81 81 HIS HB2 H 1 3.247 . . 2 . . . . . . . . 5766 1 782 . 1 1 81 81 HIS C C 13 175.202 . . 1 . . . . . . . . 5766 1 783 . 1 1 82 82 LEU N N 15 121.397 . . 1 . . . . . . . . 5766 1 784 . 1 1 82 82 LEU H H 1 8.078 . . 1 . . . . . . . . 5766 1 785 . 1 1 82 82 LEU CA C 13 55.200 . . 1 . . . . . . . . 5766 1 786 . 1 1 82 82 LEU HA H 1 4.446 . . 1 . . . . . . . . 5766 1 787 . 1 1 82 82 LEU CB C 13 42.574 . . 1 . . . . . . . . 5766 1 788 . 1 1 82 82 LEU HB2 H 1 1.701 . . 2 . . . . . . . . 5766 1 789 . 1 1 82 82 LEU CG C 13 27.084 . . 1 . . . . . . . . 5766 1 790 . 1 1 82 82 LEU HG H 1 1.581 . . 1 . . . . . . . . 5766 1 791 . 1 1 82 82 LEU CD1 C 13 23.880 . . 2 . . . . . . . . 5766 1 792 . 1 1 82 82 LEU HD11 H 1 1.002 . . 4 . . . . . . . . 5766 1 793 . 1 1 82 82 LEU HD12 H 1 1.002 . . 4 . . . . . . . . 5766 1 794 . 1 1 82 82 LEU HD13 H 1 1.002 . . 4 . . . . . . . . 5766 1 795 . 1 1 82 82 LEU CD2 C 13 25.384 . . 2 . . . . . . . . 5766 1 796 . 1 1 82 82 LEU C C 13 177.116 . . 1 . . . . . . . . 5766 1 797 . 1 1 83 83 ARG N N 15 121.927 . . 1 . . . . . . . . 5766 1 798 . 1 1 83 83 ARG H H 1 8.339 . . 1 . . . . . . . . 5766 1 799 . 1 1 83 83 ARG CA C 13 56.326 . . 1 . . . . . . . . 5766 1 800 . 1 1 83 83 ARG HA H 1 4.385 . . 1 . . . . . . . . 5766 1 801 . 1 1 83 83 ARG CB C 13 30.964 . . 1 . . . . . . . . 5766 1 802 . 1 1 83 83 ARG HB2 H 1 1.905 . . 2 . . . . . . . . 5766 1 803 . 1 1 83 83 ARG CG C 13 27.031 . . 1 . . . . . . . . 5766 1 804 . 1 1 83 83 ARG HG2 H 1 1.720 . . 2 . . . . . . . . 5766 1 805 . 1 1 83 83 ARG CD C 13 43.540 . . 1 . . . . . . . . 5766 1 806 . 1 1 83 83 ARG HD2 H 1 3.270 . . 2 . . . . . . . . 5766 1 807 . 1 1 83 83 ARG C C 13 175.838 . . 1 . . . . . . . . 5766 1 808 . 1 1 84 84 LYS N N 15 123.358 . . 1 . . . . . . . . 5766 1 809 . 1 1 84 84 LYS H H 1 8.353 . . 1 . . . . . . . . 5766 1 810 . 1 1 84 84 LYS CA C 13 56.337 . . 1 . . . . . . . . 5766 1 811 . 1 1 84 84 LYS HA H 1 4.401 . . 1 . . . . . . . . 5766 1 812 . 1 1 84 84 LYS CB C 13 33.191 . . 1 . . . . . . . . 5766 1 813 . 1 1 84 84 LYS HB2 H 1 1.895 . . 2 . . . . . . . . 5766 1 814 . 1 1 84 84 LYS CG C 13 24.910 . . 1 . . . . . . . . 5766 1 815 . 1 1 84 84 LYS HG2 H 1 1.503 . . 2 . . . . . . . . 5766 1 816 . 1 1 84 84 LYS CD C 13 29.238 . . 1 . . . . . . . . 5766 1 817 . 1 1 84 84 LYS HD2 H 1 1.787 . . 2 . . . . . . . . 5766 1 818 . 1 1 84 84 LYS CE C 13 42.289 . . 1 . . . . . . . . 5766 1 819 . 1 1 84 84 LYS HE2 H 1 3.081 . . 2 . . . . . . . . 5766 1 820 . 1 1 84 84 LYS C C 13 176.360 . . 1 . . . . . . . . 5766 1 821 . 1 1 85 85 LEU N N 15 123.775 . . 1 . . . . . . . . 5766 1 822 . 1 1 85 85 LEU H H 1 8.386 . . 1 . . . . . . . . 5766 1 823 . 1 1 85 85 LEU CA C 13 55.064 . . 1 . . . . . . . . 5766 1 824 . 1 1 85 85 LEU HA H 1 4.488 . . 1 . . . . . . . . 5766 1 825 . 1 1 85 85 LEU CB C 13 42.705 . . 1 . . . . . . . . 5766 1 826 . 1 1 85 85 LEU HB2 H 1 1.699 . . 2 . . . . . . . . 5766 1 827 . 1 1 85 85 LEU CG C 13 27.151 . . 1 . . . . . . . . 5766 1 828 . 1 1 85 85 LEU HG H 1 1.624 . . 1 . . . . . . . . 5766 1 829 . 1 1 85 85 LEU CD1 C 13 23.470 . . 2 . . . . . . . . 5766 1 830 . 1 1 85 85 LEU HD11 H 1 0.961 . . 4 . . . . . . . . 5766 1 831 . 1 1 85 85 LEU HD12 H 1 0.961 . . 4 . . . . . . . . 5766 1 832 . 1 1 85 85 LEU HD13 H 1 0.961 . . 4 . . . . . . . . 5766 1 833 . 1 1 85 85 LEU CD2 C 13 25.253 . . 2 . . . . . . . . 5766 1 834 . 1 1 85 85 LEU C C 13 177.003 . . 1 . . . . . . . . 5766 1 835 . 1 1 86 86 ASP N N 15 121.054 . . 1 . . . . . . . . 5766 1 836 . 1 1 86 86 ASP H H 1 8.348 . . 1 . . . . . . . . 5766 1 837 . 1 1 86 86 ASP CA C 13 54.398 . . 1 . . . . . . . . 5766 1 838 . 1 1 86 86 ASP HA H 1 4.654 . . 1 . . . . . . . . 5766 1 839 . 1 1 86 86 ASP CB C 13 41.396 . . 1 . . . . . . . . 5766 1 840 . 1 1 86 86 ASP HB2 H 1 2.738 . . 2 . . . . . . . . 5766 1 841 . 1 1 87 87 HIS N N 15 123.437 . . 1 . . . . . . . . 5766 1 842 . 1 1 87 87 HIS H H 1 7.808 . . 1 . . . . . . . . 5766 1 843 . 1 1 87 87 HIS CA C 13 57.659 . . 1 . . . . . . . . 5766 1 844 . 1 1 87 87 HIS CB C 13 31.206 . . 1 . . . . . . . . 5766 1 stop_ save_