data_6869 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6869 _Entry.Title ; Solution Structure of C-Terminal 14 kDa Domain of the tau subunit from Escherichia coli DNA Polymerase III ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-20 _Entry.Accession_date 2005-11-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Jergic . . . 6869 2 N. Dixon . E. . 6869 3 G. Otting . . . 6869 4 X. Su . C. . 6869 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6869 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 501 6869 '15N chemical shifts' 135 6869 '1H chemical shifts' 898 6869 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 2 . . 2007-03-28 . original author 'original release' 6869 1 . . 2007-11-15 . update BMRB 'complete entry citation' 6869 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6869 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17355988 _Citation.Full_citation . _Citation.Title ; The unstructured C-terminus of the {tau} subunit of Escherichia coli DNA polymerase III holoenzyme is the site of interaction with the {alpha} subunit ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 35 _Citation.Journal_issue 9 _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 2813 _Citation.Page_last 2824 _Citation.Year 2007 _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 S. Jergic . . . 6869 1 2 K. Ozawa . . . 6869 1 3 N. Williams . K. . 6869 1 4 X. Su . C. . 6869 1 5 D. Scott . D. . 6869 1 6 S. Hamdan . M. . 6869 1 7 J. Crowther . A. . 6869 1 8 G. Otting . . . 6869 1 9 N. Dixon . E. . 6869 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'c-terminus of polymerase III tau subunit' 6869 1 KH-fold 6869 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_tau14 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_tau14 _Assembly.Entry_ID 6869 _Assembly.ID 1 _Assembly.Name 'DNA polymerase III subunit tau' _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 6869 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 'DNA polymerase III subunit tau' 1 $tau14 . . . native . . . . . 6869 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 2AYA . . . . . . 6869 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA polymerase III subunit tau' abbreviation 6869 1 'DNA polymerase III subunit tau' system 6869 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tau14 _Entity.Sf_category entity _Entity.Sf_framecode tau14 _Entity.Entry_ID 6869 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA polymerase III subunit tau' _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 ; MKALEHEKTPELAAKLAAEA IERDPWAAQVSQLSLPKLVE QVALNAWKEESDNAVCLHLR SSQRHLNNRGAQQKLAEALS MLKGSTVELTIVEDDNPAVR TPLEWRQAIYEEKLAQARES IIADNNIQ ; _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 128 _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 2AYA . "Solution Structure Of The C-Terminal 14 Kda Domain Of The Tau Subunit From Escherichia Coli Dna Polymerase Iii" . . . . . 100.00 128 100.00 100.00 1.37e-84 . . . . 6869 1 2 no DBJ BAB33946 . "DNA polymerase III tau and gamma subunits [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.22 643 99.21 99.21 2.89e-77 . . . . 6869 1 3 no DBJ BAE76249 . "DNA polymerase III/DNA elongation factor III, tau and gamma subunits [Escherichia coli str. K-12 substr. W3110]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 4 no DBJ BAG76019 . "DNA polymerase III tau and gamma subunits [Escherichia coli SE11]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 5 no DBJ BAI23844 . "DNA polymerase III/DNA elongation factor III, tau and gamma subunits [Escherichia coli O26:H11 str. 11368]" . . . . . 99.22 643 98.43 98.43 2.70e-76 . . . . 6869 1 6 no DBJ BAI29314 . "DNA polymerase III/DNA elongation factor III, tau and gamma subunits [Escherichia coli O103:H2 str. 12009]" . . . . . 99.22 643 98.43 98.43 2.70e-76 . . . . 6869 1 7 no EMBL CAA27827 . "unnamed protein product [Escherichia coli]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 8 no EMBL CAA28174 . "dnaZX protein (AA 1-643) [Escherichia coli]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 9 no EMBL CAA28175 . "alternate dnaZX protein (AA 1-620) [Escherichia coli]" . . . . . 99.22 620 100.00 100.00 5.07e-79 . . . . 6869 1 10 no EMBL CAP75003 . "DNA polymerase III subunit tau [Escherichia coli LF82]" . . . . . 99.22 643 99.21 99.21 1.02e-77 . . . . 6869 1 11 no EMBL CAQ30943 . "DNA polymerase III, tau subunit, subunit of DNA polymerase III, tau subunit dimer and DNA polymerase III, holoenzyme [Escherich" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 12 no GB AAA23457 . "dnaX ORF [Escherichia coli]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 13 no GB AAB40224 . "dna polymerase III subunits gamma and tau [Escherichia coli]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 14 no GB AAC73572 . "DNA polymerase III/DNA elongation factor III, tau and gamma subunits [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 15 no GB AAG54819 . "DNA polymerase III, tau and gamma subunits; DNA elongation factor III [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.22 643 99.21 99.21 2.89e-77 . . . . 6869 1 16 no GB AAN42070 . "DNA polymerase III, tau and gamma subunits; DNA elongation factor III [Shigella flexneri 2a str. 301]" . . . . . 99.22 641 99.21 99.21 3.98e-78 . . . . 6869 1 17 no REF NP_286211 . "DNA polymerase III subunits gamma and tau [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.22 643 99.21 99.21 2.89e-77 . . . . 6869 1 18 no REF NP_308550 . "DNA polymerase III subunits gamma and tau [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.22 643 99.21 99.21 2.89e-77 . . . . 6869 1 19 no REF NP_415003 . "DNA polymerase III/DNA elongation factor III, tau and gamma subunits [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 20 no REF NP_706363 . "DNA polymerase III subunits gamma and tau [Shigella flexneri 2a str. 301]" . . . . . 99.22 641 99.21 99.21 3.98e-78 . . . . 6869 1 21 no REF NP_752523 . "DNA polymerase III subunits gamma and tau [Escherichia coli CFT073]" . . . . . 99.22 643 99.21 99.21 1.02e-77 . . . . 6869 1 22 no SP P06710 . "RecName: Full=DNA polymerase III subunit tau; AltName: Full=DNA polymerase III subunit gamma [Escherichia coli K-12]" . . . . . 99.22 643 100.00 100.00 1.03e-78 . . . . 6869 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA polymerase III subunit tau' abbreviation 6869 1 'DNA polymerase III subunit tau' common 6869 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 . 6869 1 2 . LYS . 6869 1 3 . ALA . 6869 1 4 . LEU . 6869 1 5 . GLU . 6869 1 6 . HIS . 6869 1 7 . GLU . 6869 1 8 . LYS . 6869 1 9 . THR . 6869 1 10 . PRO . 6869 1 11 . GLU . 6869 1 12 . LEU . 6869 1 13 . ALA . 6869 1 14 . ALA . 6869 1 15 . LYS . 6869 1 16 . LEU . 6869 1 17 . ALA . 6869 1 18 . ALA . 6869 1 19 . GLU . 6869 1 20 . ALA . 6869 1 21 . ILE . 6869 1 22 . GLU . 6869 1 23 . ARG . 6869 1 24 . ASP . 6869 1 25 . PRO . 6869 1 26 . TRP . 6869 1 27 . ALA . 6869 1 28 . ALA . 6869 1 29 . GLN . 6869 1 30 . VAL . 6869 1 31 . SER . 6869 1 32 . GLN . 6869 1 33 . LEU . 6869 1 34 . SER . 6869 1 35 . LEU . 6869 1 36 . PRO . 6869 1 37 . LYS . 6869 1 38 . LEU . 6869 1 39 . VAL . 6869 1 40 . GLU . 6869 1 41 . GLN . 6869 1 42 . VAL . 6869 1 43 . ALA . 6869 1 44 . LEU . 6869 1 45 . ASN . 6869 1 46 . ALA . 6869 1 47 . TRP . 6869 1 48 . LYS . 6869 1 49 . GLU . 6869 1 50 . GLU . 6869 1 51 . SER . 6869 1 52 . ASP . 6869 1 53 . ASN . 6869 1 54 . ALA . 6869 1 55 . VAL . 6869 1 56 . CYS . 6869 1 57 . LEU . 6869 1 58 . HIS . 6869 1 59 . LEU . 6869 1 60 . ARG . 6869 1 61 . SER . 6869 1 62 . SER . 6869 1 63 . GLN . 6869 1 64 . ARG . 6869 1 65 . HIS . 6869 1 66 . LEU . 6869 1 67 . ASN . 6869 1 68 . ASN . 6869 1 69 . ARG . 6869 1 70 . GLY . 6869 1 71 . ALA . 6869 1 72 . GLN . 6869 1 73 . GLN . 6869 1 74 . LYS . 6869 1 75 . LEU . 6869 1 76 . ALA . 6869 1 77 . GLU . 6869 1 78 . ALA . 6869 1 79 . LEU . 6869 1 80 . SER . 6869 1 81 . MET . 6869 1 82 . LEU . 6869 1 83 . LYS . 6869 1 84 . GLY . 6869 1 85 . SER . 6869 1 86 . THR . 6869 1 87 . VAL . 6869 1 88 . GLU . 6869 1 89 . LEU . 6869 1 90 . THR . 6869 1 91 . ILE . 6869 1 92 . VAL . 6869 1 93 . GLU . 6869 1 94 . ASP . 6869 1 95 . ASP . 6869 1 96 . ASN . 6869 1 97 . PRO . 6869 1 98 . ALA . 6869 1 99 . VAL . 6869 1 100 . ARG . 6869 1 101 . THR . 6869 1 102 . PRO . 6869 1 103 . LEU . 6869 1 104 . GLU . 6869 1 105 . TRP . 6869 1 106 . ARG . 6869 1 107 . GLN . 6869 1 108 . ALA . 6869 1 109 . ILE . 6869 1 110 . TYR . 6869 1 111 . GLU . 6869 1 112 . GLU . 6869 1 113 . LYS . 6869 1 114 . LEU . 6869 1 115 . ALA . 6869 1 116 . GLN . 6869 1 117 . ALA . 6869 1 118 . ARG . 6869 1 119 . GLU . 6869 1 120 . SER . 6869 1 121 . ILE . 6869 1 122 . ILE . 6869 1 123 . ALA . 6869 1 124 . ASP . 6869 1 125 . ASN . 6869 1 126 . ASN . 6869 1 127 . ILE . 6869 1 128 . GLN . 6869 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 6869 1 . LYS 2 2 6869 1 . ALA 3 3 6869 1 . LEU 4 4 6869 1 . GLU 5 5 6869 1 . HIS 6 6 6869 1 . GLU 7 7 6869 1 . LYS 8 8 6869 1 . THR 9 9 6869 1 . PRO 10 10 6869 1 . GLU 11 11 6869 1 . LEU 12 12 6869 1 . ALA 13 13 6869 1 . ALA 14 14 6869 1 . LYS 15 15 6869 1 . LEU 16 16 6869 1 . ALA 17 17 6869 1 . ALA 18 18 6869 1 . GLU 19 19 6869 1 . ALA 20 20 6869 1 . ILE 21 21 6869 1 . GLU 22 22 6869 1 . ARG 23 23 6869 1 . ASP 24 24 6869 1 . PRO 25 25 6869 1 . TRP 26 26 6869 1 . ALA 27 27 6869 1 . ALA 28 28 6869 1 . GLN 29 29 6869 1 . VAL 30 30 6869 1 . SER 31 31 6869 1 . GLN 32 32 6869 1 . LEU 33 33 6869 1 . SER 34 34 6869 1 . LEU 35 35 6869 1 . PRO 36 36 6869 1 . LYS 37 37 6869 1 . LEU 38 38 6869 1 . VAL 39 39 6869 1 . GLU 40 40 6869 1 . GLN 41 41 6869 1 . VAL 42 42 6869 1 . ALA 43 43 6869 1 . LEU 44 44 6869 1 . ASN 45 45 6869 1 . ALA 46 46 6869 1 . TRP 47 47 6869 1 . LYS 48 48 6869 1 . GLU 49 49 6869 1 . GLU 50 50 6869 1 . SER 51 51 6869 1 . ASP 52 52 6869 1 . ASN 53 53 6869 1 . ALA 54 54 6869 1 . VAL 55 55 6869 1 . CYS 56 56 6869 1 . LEU 57 57 6869 1 . HIS 58 58 6869 1 . LEU 59 59 6869 1 . ARG 60 60 6869 1 . SER 61 61 6869 1 . SER 62 62 6869 1 . GLN 63 63 6869 1 . ARG 64 64 6869 1 . HIS 65 65 6869 1 . LEU 66 66 6869 1 . ASN 67 67 6869 1 . ASN 68 68 6869 1 . ARG 69 69 6869 1 . GLY 70 70 6869 1 . ALA 71 71 6869 1 . GLN 72 72 6869 1 . GLN 73 73 6869 1 . LYS 74 74 6869 1 . LEU 75 75 6869 1 . ALA 76 76 6869 1 . GLU 77 77 6869 1 . ALA 78 78 6869 1 . LEU 79 79 6869 1 . SER 80 80 6869 1 . MET 81 81 6869 1 . LEU 82 82 6869 1 . LYS 83 83 6869 1 . GLY 84 84 6869 1 . SER 85 85 6869 1 . THR 86 86 6869 1 . VAL 87 87 6869 1 . GLU 88 88 6869 1 . LEU 89 89 6869 1 . THR 90 90 6869 1 . ILE 91 91 6869 1 . VAL 92 92 6869 1 . GLU 93 93 6869 1 . ASP 94 94 6869 1 . ASP 95 95 6869 1 . ASN 96 96 6869 1 . PRO 97 97 6869 1 . ALA 98 98 6869 1 . VAL 99 99 6869 1 . ARG 100 100 6869 1 . THR 101 101 6869 1 . PRO 102 102 6869 1 . LEU 103 103 6869 1 . GLU 104 104 6869 1 . TRP 105 105 6869 1 . ARG 106 106 6869 1 . GLN 107 107 6869 1 . ALA 108 108 6869 1 . ILE 109 109 6869 1 . TYR 110 110 6869 1 . GLU 111 111 6869 1 . GLU 112 112 6869 1 . LYS 113 113 6869 1 . LEU 114 114 6869 1 . ALA 115 115 6869 1 . GLN 116 116 6869 1 . ALA 117 117 6869 1 . ARG 118 118 6869 1 . GLU 119 119 6869 1 . SER 120 120 6869 1 . ILE 121 121 6869 1 . ILE 122 122 6869 1 . ALA 123 123 6869 1 . ASP 124 124 6869 1 . ASN 125 125 6869 1 . ASN 126 126 6869 1 . ILE 127 127 6869 1 . GLN 128 128 6869 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 6869 _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 $tau14 . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6869 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 6869 _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 $tau14 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6869 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6869 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA polymerase III subunit tau' '[U-15N; U-13C]' . . 1 $tau14 . . 1.8 . . mM . . . . 6869 1 2 'phosphate buffer' . . . . . . . 5 . . mM . . . . 6869 1 3 NaCl . . . . . . . 100 . . mM . . . . 6869 1 4 H2O . . . . . . . 90 . . % . . . . 6869 1 5 D2O . . . . . . . 10 . . % . . . . 6869 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6869 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA polymerase III subunit tau' '[U-10% 13C]' . . 1 $tau14 . . 0.6 . . mM . . . . 6869 2 2 'phosphate buffer' . . . . . . . 5 . . mM . . . . 6869 2 3 NaCl . . . . . . . 100 . . mM . . . . 6869 2 4 H2O . . . . . . . 90 . . % . . . . 6869 2 5 D2O . . . . . . . 10 . . % . . . . 6869 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6869 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA polymerase III subunit tau' . . . 1 $tau14 . . 1.8 . . mM . . . . 6869 3 2 'phosphate buffer' . . . . . . . 5 . . mM . . . . 6869 3 3 NaCl . . . . . . . 100 . . mM . . . . 6869 3 4 H2O . . . . . . . 90 . . % . . . . 6869 3 5 D2O . . . . . . . 10 . . % . . . . 6869 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6869 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA polymerase III subunit tau' . . . 1 $tau14 . . 1.8 . . mM . . . . 6869 4 2 'phosphate buffer' . . . . . . . 5 . . mM . . . . 6869 4 3 NaCl . . . . . . . 100 . . mM . . . . 6869 4 4 D2O . . . . . . . 100 . . % . . . . 6869 4 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 6869 _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 'ionic strength' 100 . mM 6869 1 pH 6.8 . pH 6869 1 pressure 1 . atm 6869 1 temperature 303 . K 6869 1 stop_ save_ ############################ # Computer software used # ############################ save_topspin _Software.Sf_category software _Software.Sf_framecode topspin _Software.Entry_ID 6869 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6869 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6869 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details Guentert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6869 2 stop_ save_ save_prosa _Software.Sf_category software _Software.Sf_framecode prosa _Software.Entry_ID 6869 _Software.ID 3 _Software.Name PROSA _Software.Version 6.1 _Software.Details Guentert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6869 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 6869 _Software.ID 4 _Software.Name OPAL _Software.Version 2.6 _Software.Details Luginbuehl loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6869 4 stop_ save_ save_cara _Software.Sf_category software _Software.Sf_framecode cara _Software.Entry_ID 6869 _Software.ID 5 _Software.Name CARA _Software.Version 1.2 _Software.Details Damberger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6869 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 6869 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6869 _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 Bruker AVANCE . 800 . . . 6869 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 6869 _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 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 3 CACB(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 6 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 8 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 9 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 1 10 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6869 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 6869 _NMR_spec_expt.ID 1 _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_ 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 6869 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6869 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CACB(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6869 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6869 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6869 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CO)CA _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6869 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6869 _NMR_spec_expt.ID 8 _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6869 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 13C-HSQC _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6869 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D 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 6869 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6869 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6869 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6869 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 6869 _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 . 6869 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 C C 13 176.0 0.10 . 1 . . . . . . . . 6869 1 2 . 1 1 2 2 LYS CA C 13 56.5 0.10 . 1 . . . . . . . . 6869 1 3 . 1 1 2 2 LYS CB C 13 32.8 0.10 . 1 . . . . . . . . 6869 1 4 . 1 1 2 2 LYS C C 13 175.5 0.10 . 1 . . . . . . . . 6869 1 5 . 1 1 3 3 ALA N N 15 125.9 0.10 . 1 . . . . . . . . 6869 1 6 . 1 1 3 3 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 6869 1 7 . 1 1 3 3 ALA CA C 13 52.3 0.10 . 1 . . . . . . . . 6869 1 8 . 1 1 3 3 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 6869 1 9 . 1 1 3 3 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 6869 1 10 . 1 1 3 3 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 6869 1 11 . 1 1 3 3 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 6869 1 12 . 1 1 3 3 ALA CB C 13 19.2 0.10 . 1 . . . . . . . . 6869 1 13 . 1 1 3 3 ALA C C 13 177.3 0.10 . 1 . . . . . . . . 6869 1 14 . 1 1 4 4 LEU N N 15 121.3 0.10 . 1 . . . . . . . . 6869 1 15 . 1 1 4 4 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 6869 1 16 . 1 1 4 4 LEU CA C 13 54.8 0.10 . 1 . . . . . . . . 6869 1 17 . 1 1 4 4 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 6869 1 18 . 1 1 4 4 LEU CB C 13 41.7 0.10 . 1 . . . . . . . . 6869 1 19 . 1 1 4 4 LEU HB2 H 1 1.58 0.02 . 2 . . . . . . . . 6869 1 20 . 1 1 4 4 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 6869 1 21 . 1 1 4 4 LEU CG C 13 26.8 0.10 . 1 . . . . . . . . 6869 1 22 . 1 1 4 4 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 6869 1 23 . 1 1 4 4 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 6869 1 24 . 1 1 4 4 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 6869 1 25 . 1 1 4 4 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 6869 1 26 . 1 1 4 4 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 6869 1 27 . 1 1 4 4 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 6869 1 28 . 1 1 4 4 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 6869 1 29 . 1 1 4 4 LEU CD1 C 13 24.9 0.10 . 1 . . . . . . . . 6869 1 30 . 1 1 4 4 LEU CD2 C 13 23.5 0.10 . 1 . . . . . . . . 6869 1 31 . 1 1 4 4 LEU C C 13 177.2 0.10 . 1 . . . . . . . . 6869 1 32 . 1 1 5 5 GLU N N 15 121.3 0.10 . 1 . . . . . . . . 6869 1 33 . 1 1 5 5 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 6869 1 34 . 1 1 5 5 GLU CA C 13 56.9 0.10 . 1 . . . . . . . . 6869 1 35 . 1 1 5 5 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 6869 1 36 . 1 1 5 5 GLU CB C 13 30.1 0.10 . 1 . . . . . . . . 6869 1 37 . 1 1 5 5 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 6869 1 38 . 1 1 5 5 GLU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 6869 1 39 . 1 1 5 5 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 6869 1 40 . 1 1 5 5 GLU HG3 H 1 2.16 0.02 . 2 . . . . . . . . 6869 1 41 . 1 1 5 5 GLU C C 13 175.0 0.10 . 1 . . . . . . . . 6869 1 42 . 1 1 6 6 HIS N N 15 118.5 0.10 . 1 . . . . . . . . 6869 1 43 . 1 1 6 6 HIS H H 1 8.14 0.02 . 1 . . . . . . . . 6869 1 44 . 1 1 6 6 HIS CA C 13 56.5 0.10 . 1 . . . . . . . . 6869 1 45 . 1 1 6 6 HIS HA H 1 4.39 0.02 . 1 . . . . . . . . 6869 1 46 . 1 1 6 6 HIS CB C 13 30.0 0.10 . 1 . . . . . . . . 6869 1 47 . 1 1 6 6 HIS HB2 H 1 3.00 0.02 . 1 . . . . . . . . 6869 1 48 . 1 1 6 6 HIS HB3 H 1 3.00 0.02 . 1 . . . . . . . . 6869 1 49 . 1 1 6 6 HIS C C 13 176.4 0.10 . 1 . . . . . . . . 6869 1 50 . 1 1 7 7 GLU N N 15 121.1 0.10 . 1 . . . . . . . . 6869 1 51 . 1 1 7 7 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 6869 1 52 . 1 1 7 7 GLU CA C 13 56.4 0.10 . 1 . . . . . . . . 6869 1 53 . 1 1 7 7 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 6869 1 54 . 1 1 7 7 GLU CB C 13 30.1 0.10 . 1 . . . . . . . . 6869 1 55 . 1 1 7 7 GLU C C 13 177.4 0.10 . 1 . . . . . . . . 6869 1 56 . 1 1 8 8 LYS N N 15 121.5 0.10 . 1 . . . . . . . . 6869 1 57 . 1 1 8 8 LYS H H 1 8.22 0.02 . 1 . . . . . . . . 6869 1 58 . 1 1 8 8 LYS CA C 13 56.2 0.10 . 1 . . . . . . . . 6869 1 59 . 1 1 8 8 LYS HA H 1 4.33 0.02 . 1 . . . . . . . . 6869 1 60 . 1 1 8 8 LYS CB C 13 32.8 0.10 . 1 . . . . . . . . 6869 1 61 . 1 1 8 8 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6869 1 62 . 1 1 8 8 LYS HB3 H 1 1.73 0.02 . 2 . . . . . . . . 6869 1 63 . 1 1 8 8 LYS HG2 H 1 1.40 0.02 . 2 . . . . . . . . 6869 1 64 . 1 1 8 8 LYS HG3 H 1 1.29 0.02 . 2 . . . . . . . . 6869 1 65 . 1 1 8 8 LYS HD2 H 1 1.53 0.02 . 2 . . . . . . . . 6869 1 66 . 1 1 8 8 LYS HD3 H 1 1.51 0.02 . 2 . . . . . . . . 6869 1 67 . 1 1 8 8 LYS HE2 H 1 2.74 0.02 . 2 . . . . . . . . 6869 1 68 . 1 1 8 8 LYS HE3 H 1 2.65 0.02 . 2 . . . . . . . . 6869 1 69 . 1 1 8 8 LYS C C 13 176.3 0.10 . 1 . . . . . . . . 6869 1 70 . 1 1 9 9 THR N N 15 114.5 0.10 . 1 . . . . . . . . 6869 1 71 . 1 1 9 9 THR H H 1 7.79 0.02 . 1 . . . . . . . . 6869 1 72 . 1 1 9 9 THR CA C 13 59.8 0.10 . 1 . . . . . . . . 6869 1 73 . 1 1 9 9 THR HA H 1 4.63 0.02 . 1 . . . . . . . . 6869 1 74 . 1 1 9 9 THR CB C 13 69.1 0.10 . 1 . . . . . . . . 6869 1 75 . 1 1 9 9 THR HB H 1 4.47 0.02 . 1 . . . . . . . . 6869 1 76 . 1 1 9 9 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 6869 1 77 . 1 1 9 9 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 6869 1 78 . 1 1 9 9 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 6869 1 79 . 1 1 10 10 PRO CD C 13 50.5 0.10 . 1 . . . . . . . . 6869 1 80 . 1 1 10 10 PRO CA C 13 64.7 0.10 . 1 . . . . . . . . 6869 1 81 . 1 1 10 10 PRO HA H 1 4.30 0.02 . 1 . . . . . . . . 6869 1 82 . 1 1 10 10 PRO CB C 13 31.7 0.10 . 1 . . . . . . . . 6869 1 83 . 1 1 10 10 PRO HB2 H 1 2.35 0.02 . 2 . . . . . . . . 6869 1 84 . 1 1 10 10 PRO HB3 H 1 2.13 0.02 . 2 . . . . . . . . 6869 1 85 . 1 1 10 10 PRO CG C 13 27.6 0.10 . 1 . . . . . . . . 6869 1 86 . 1 1 10 10 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 6869 1 87 . 1 1 10 10 PRO HG3 H 1 1.93 0.02 . 2 . . . . . . . . 6869 1 88 . 1 1 10 10 PRO HD2 H 1 3.83 0.02 . 1 . . . . . . . . 6869 1 89 . 1 1 10 10 PRO HD3 H 1 3.83 0.02 . 1 . . . . . . . . 6869 1 90 . 1 1 10 10 PRO C C 13 178.8 0.10 . 1 . . . . . . . . 6869 1 91 . 1 1 11 11 GLU N N 15 118.7 0.10 . 1 . . . . . . . . 6869 1 92 . 1 1 11 11 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 6869 1 93 . 1 1 11 11 GLU CA C 13 59.2 0.10 . 1 . . . . . . . . 6869 1 94 . 1 1 11 11 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 6869 1 95 . 1 1 11 11 GLU CB C 13 29.1 0.10 . 1 . . . . . . . . 6869 1 96 . 1 1 11 11 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 6869 1 97 . 1 1 11 11 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 6869 1 98 . 1 1 11 11 GLU CG C 13 36.5 0.10 . 1 . . . . . . . . 6869 1 99 . 1 1 11 11 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 6869 1 100 . 1 1 11 11 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 6869 1 101 . 1 1 11 11 GLU C C 13 178.3 0.10 . 1 . . . . . . . . 6869 1 102 . 1 1 12 12 LEU N N 15 122.0 0.10 . 1 . . . . . . . . 6869 1 103 . 1 1 12 12 LEU H H 1 7.80 0.02 . 1 . . . . . . . . 6869 1 104 . 1 1 12 12 LEU CA C 13 57.0 0.10 . 1 . . . . . . . . 6869 1 105 . 1 1 12 12 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 6869 1 106 . 1 1 12 12 LEU CB C 13 41.6 0.10 . 1 . . . . . . . . 6869 1 107 . 1 1 12 12 LEU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 6869 1 108 . 1 1 12 12 LEU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6869 1 109 . 1 1 12 12 LEU CG C 13 27.2 0.10 . 1 . . . . . . . . 6869 1 110 . 1 1 12 12 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 6869 1 111 . 1 1 12 12 LEU HD11 H 1 1.00 0.02 . 1 . . . . . . . . 6869 1 112 . 1 1 12 12 LEU HD12 H 1 1.00 0.02 . 1 . . . . . . . . 6869 1 113 . 1 1 12 12 LEU HD13 H 1 1.00 0.02 . 1 . . . . . . . . 6869 1 114 . 1 1 12 12 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 6869 1 115 . 1 1 12 12 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 6869 1 116 . 1 1 12 12 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 6869 1 117 . 1 1 12 12 LEU CD1 C 13 25.3 0.10 . 1 . . . . . . . . 6869 1 118 . 1 1 12 12 LEU CD2 C 13 23.3 0.10 . 1 . . . . . . . . 6869 1 119 . 1 1 12 12 LEU C C 13 178.1 0.10 . 1 . . . . . . . . 6869 1 120 . 1 1 13 13 ALA N N 15 120.9 0.10 . 1 . . . . . . . . 6869 1 121 . 1 1 13 13 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 6869 1 122 . 1 1 13 13 ALA CA C 13 55.5 0.10 . 1 . . . . . . . . 6869 1 123 . 1 1 13 13 ALA HA H 1 3.91 0.02 . 1 . . . . . . . . 6869 1 124 . 1 1 13 13 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 6869 1 125 . 1 1 13 13 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 6869 1 126 . 1 1 13 13 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6869 1 127 . 1 1 13 13 ALA CB C 13 18.1 0.10 . 1 . . . . . . . . 6869 1 128 . 1 1 13 13 ALA C C 13 180.2 0.10 . 1 . . . . . . . . 6869 1 129 . 1 1 14 14 ALA N N 15 119.8 0.10 . 1 . . . . . . . . 6869 1 130 . 1 1 14 14 ALA H H 1 7.95 0.02 . 1 . . . . . . . . 6869 1 131 . 1 1 14 14 ALA CA C 13 54.9 0.10 . 1 . . . . . . . . 6869 1 132 . 1 1 14 14 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 6869 1 133 . 1 1 14 14 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 6869 1 134 . 1 1 14 14 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 6869 1 135 . 1 1 14 14 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 6869 1 136 . 1 1 14 14 ALA CB C 13 18.1 0.10 . 1 . . . . . . . . 6869 1 137 . 1 1 14 14 ALA C C 13 180.4 0.10 . 1 . . . . . . . . 6869 1 138 . 1 1 15 15 LYS N N 15 120.7 0.10 . 1 . . . . . . . . 6869 1 139 . 1 1 15 15 LYS H H 1 7.80 0.02 . 1 . . . . . . . . 6869 1 140 . 1 1 15 15 LYS CA C 13 58.8 0.10 . 1 . . . . . . . . 6869 1 141 . 1 1 15 15 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 6869 1 142 . 1 1 15 15 LYS CB C 13 32.4 0.10 . 1 . . . . . . . . 6869 1 143 . 1 1 15 15 LYS HB2 H 1 2.00 0.02 . 1 . . . . . . . . 6869 1 144 . 1 1 15 15 LYS HB3 H 1 2.03 0.02 . 1 . . . . . . . . 6869 1 145 . 1 1 15 15 LYS CG C 13 29.0 0.10 . 1 . . . . . . . . 6869 1 146 . 1 1 15 15 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 6869 1 147 . 1 1 15 15 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 6869 1 148 . 1 1 15 15 LYS CD C 13 32.4 0.10 . 1 . . . . . . . . 6869 1 149 . 1 1 15 15 LYS HD2 H 1 1.79 0.02 . 2 . . . . . . . . 6869 1 150 . 1 1 15 15 LYS HD3 H 1 1.69 0.02 . 2 . . . . . . . . 6869 1 151 . 1 1 15 15 LYS CE C 13 41.8 0.10 . 1 . . . . . . . . 6869 1 152 . 1 1 15 15 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6869 1 153 . 1 1 15 15 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6869 1 154 . 1 1 15 15 LYS C C 13 179.0 0.10 . 1 . . . . . . . . 6869 1 155 . 1 1 16 16 LEU N N 15 118.7 0.10 . 1 . . . . . . . . 6869 1 156 . 1 1 16 16 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 6869 1 157 . 1 1 16 16 LEU CA C 13 57.5 0.10 . 1 . . . . . . . . 6869 1 158 . 1 1 16 16 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 6869 1 159 . 1 1 16 16 LEU CB C 13 41.5 0.10 . 1 . . . . . . . . 6869 1 160 . 1 1 16 16 LEU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 6869 1 161 . 1 1 16 16 LEU HB3 H 1 1.37 0.02 . 1 . . . . . . . . 6869 1 162 . 1 1 16 16 LEU CG C 13 25.9 0.10 . 1 . . . . . . . . 6869 1 163 . 1 1 16 16 LEU HG H 1 1.34 0.02 . 1 . . . . . . . . 6869 1 164 . 1 1 16 16 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 6869 1 165 . 1 1 16 16 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 6869 1 166 . 1 1 16 16 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 6869 1 167 . 1 1 16 16 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 6869 1 168 . 1 1 16 16 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 6869 1 169 . 1 1 16 16 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 6869 1 170 . 1 1 16 16 LEU CD1 C 13 21.6 0.10 . 1 . . . . . . . . 6869 1 171 . 1 1 16 16 LEU CD2 C 13 19.0 0.10 . 1 . . . . . . . . 6869 1 172 . 1 1 16 16 LEU C C 13 178.9 0.10 . 1 . . . . . . . . 6869 1 173 . 1 1 17 17 ALA N N 15 119.8 0.10 . 1 . . . . . . . . 6869 1 174 . 1 1 17 17 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 6869 1 175 . 1 1 17 17 ALA CA C 13 55.5 0.10 . 1 . . . . . . . . 6869 1 176 . 1 1 17 17 ALA HA H 1 3.91 0.02 . 1 . . . . . . . . 6869 1 177 . 1 1 17 17 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 6869 1 178 . 1 1 17 17 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 6869 1 179 . 1 1 17 17 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 6869 1 180 . 1 1 17 17 ALA CB C 13 18.0 0.10 . 1 . . . . . . . . 6869 1 181 . 1 1 17 17 ALA C C 13 179.8 0.10 . 1 . . . . . . . . 6869 1 182 . 1 1 18 18 ALA N N 15 119.8 0.10 . 1 . . . . . . . . 6869 1 183 . 1 1 18 18 ALA H H 1 7.75 0.02 . 1 . . . . . . . . 6869 1 184 . 1 1 18 18 ALA CA C 13 54.8 0.10 . 1 . . . . . . . . 6869 1 185 . 1 1 18 18 ALA HA H 1 4.10 0.02 . 1 . . . . . . . . 6869 1 186 . 1 1 18 18 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 6869 1 187 . 1 1 18 18 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 6869 1 188 . 1 1 18 18 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 6869 1 189 . 1 1 18 18 ALA CB C 13 18.0 0.10 . 1 . . . . . . . . 6869 1 190 . 1 1 18 18 ALA C C 13 180.4 0.10 . 1 . . . . . . . . 6869 1 191 . 1 1 19 19 GLU N N 15 119.1 0.10 . 1 . . . . . . . . 6869 1 192 . 1 1 19 19 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 6869 1 193 . 1 1 19 19 GLU CA C 13 59.5 0.10 . 1 . . . . . . . . 6869 1 194 . 1 1 19 19 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 6869 1 195 . 1 1 19 19 GLU CB C 13 29.6 0.10 . 1 . . . . . . . . 6869 1 196 . 1 1 19 19 GLU HB2 H 1 2.10 0.02 . 1 . . . . . . . . 6869 1 197 . 1 1 19 19 GLU HB3 H 1 2.10 0.02 . 1 . . . . . . . . 6869 1 198 . 1 1 19 19 GLU CG C 13 36.8 0.10 . 1 . . . . . . . . 6869 1 199 . 1 1 19 19 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . 6869 1 200 . 1 1 19 19 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 6869 1 201 . 1 1 19 19 GLU C C 13 178.7 0.10 . 1 . . . . . . . . 6869 1 202 . 1 1 20 20 ALA N N 15 122.6 0.10 . 1 . . . . . . . . 6869 1 203 . 1 1 20 20 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 6869 1 204 . 1 1 20 20 ALA CA C 13 55.7 0.10 . 1 . . . . . . . . 6869 1 205 . 1 1 20 20 ALA HA H 1 3.63 0.02 . 1 . . . . . . . . 6869 1 206 . 1 1 20 20 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 6869 1 207 . 1 1 20 20 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 6869 1 208 . 1 1 20 20 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6869 1 209 . 1 1 20 20 ALA CB C 13 18.4 0.10 . 1 . . . . . . . . 6869 1 210 . 1 1 20 20 ALA C C 13 178.4 0.10 . 1 . . . . . . . . 6869 1 211 . 1 1 21 21 ILE N N 15 116.3 0.10 . 1 . . . . . . . . 6869 1 212 . 1 1 21 21 ILE H H 1 7.21 0.02 . 1 . . . . . . . . 6869 1 213 . 1 1 21 21 ILE CA C 13 64.9 0.10 . 1 . . . . . . . . 6869 1 214 . 1 1 21 21 ILE HA H 1 3.42 0.02 . 1 . . . . . . . . 6869 1 215 . 1 1 21 21 ILE CB C 13 38.2 0.10 . 1 . . . . . . . . 6869 1 216 . 1 1 21 21 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 6869 1 217 . 1 1 21 21 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 6869 1 218 . 1 1 21 21 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 6869 1 219 . 1 1 21 21 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 6869 1 220 . 1 1 21 21 ILE CG2 C 13 16.4 0.10 . 1 . . . . . . . . 6869 1 221 . 1 1 21 21 ILE HG12 H 1 1.53 0.02 . 2 . . . . . . . . 6869 1 222 . 1 1 21 21 ILE HG13 H 1 1.44 0.02 . 2 . . . . . . . . 6869 1 223 . 1 1 21 21 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 224 . 1 1 21 21 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 225 . 1 1 21 21 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 226 . 1 1 21 21 ILE CD1 C 13 14.0 0.10 . 1 . . . . . . . . 6869 1 227 . 1 1 21 21 ILE C C 13 176.2 0.10 . 1 . . . . . . . . 6869 1 228 . 1 1 22 22 GLU N N 15 116.5 0.10 . 1 . . . . . . . . 6869 1 229 . 1 1 22 22 GLU H H 1 7.06 0.02 . 1 . . . . . . . . 6869 1 230 . 1 1 22 22 GLU CA C 13 57.8 0.10 . 1 . . . . . . . . 6869 1 231 . 1 1 22 22 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 6869 1 232 . 1 1 22 22 GLU CB C 13 29.8 0.10 . 1 . . . . . . . . 6869 1 233 . 1 1 22 22 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 6869 1 234 . 1 1 22 22 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 6869 1 235 . 1 1 22 22 GLU CG C 13 36.1 0.10 . 1 . . . . . . . . 6869 1 236 . 1 1 22 22 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 6869 1 237 . 1 1 22 22 GLU HG3 H 1 2.17 0.02 . 2 . . . . . . . . 6869 1 238 . 1 1 22 22 GLU C C 13 177.7 0.10 . 1 . . . . . . . . 6869 1 239 . 1 1 23 23 ARG N N 15 115.2 0.10 . 1 . . . . . . . . 6869 1 240 . 1 1 23 23 ARG H H 1 7.18 0.02 . 1 . . . . . . . . 6869 1 241 . 1 1 23 23 ARG CA C 13 55.8 0.10 . 1 . . . . . . . . 6869 1 242 . 1 1 23 23 ARG HA H 1 3.98 0.02 . 1 . . . . . . . . 6869 1 243 . 1 1 23 23 ARG CB C 13 30.9 0.10 . 1 . . . . . . . . 6869 1 244 . 1 1 23 23 ARG HB2 H 1 0.93 0.02 . 1 . . . . . . . . 6869 1 245 . 1 1 23 23 ARG HB3 H 1 0.86 0.02 . 1 . . . . . . . . 6869 1 246 . 1 1 23 23 ARG CG C 13 26.78 0.10 . 1 . . . . . . . . 6869 1 247 . 1 1 23 23 ARG HG2 H 1 1.39 0.02 . 1 . . . . . . . . 6869 1 248 . 1 1 23 23 ARG HG3 H 1 1.39 0.02 . 1 . . . . . . . . 6869 1 249 . 1 1 23 23 ARG CD C 13 42.6 0.10 . 1 . . . . . . . . 6869 1 250 . 1 1 23 23 ARG HD2 H 1 3.00 0.02 . 2 . . . . . . . . 6869 1 251 . 1 1 23 23 ARG HD3 H 1 2.90 0.02 . 2 . . . . . . . . 6869 1 252 . 1 1 23 23 ARG HE H 1 7.26 0.02 . 1 . . . . . . . . 6869 1 253 . 1 1 23 23 ARG C C 13 176.5 0.10 . 1 . . . . . . . . 6869 1 254 . 1 1 24 24 ASP N N 15 119.1 0.10 . 1 . . . . . . . . 6869 1 255 . 1 1 24 24 ASP H H 1 7.56 0.02 . 1 . . . . . . . . 6869 1 256 . 1 1 24 24 ASP CA C 13 50.9 0.10 . 1 . . . . . . . . 6869 1 257 . 1 1 24 24 ASP HA H 1 5.09 0.02 . 1 . . . . . . . . 6869 1 258 . 1 1 24 24 ASP CB C 13 43.8 0.10 . 1 . . . . . . . . 6869 1 259 . 1 1 24 24 ASP HB2 H 1 1.12 0.02 . 1 . . . . . . . . 6869 1 260 . 1 1 24 24 ASP HB3 H 1 2.40 0.02 . 1 . . . . . . . . 6869 1 261 . 1 1 25 25 PRO CD C 13 51.3 0.10 . 1 . . . . . . . . 6869 1 262 . 1 1 25 25 PRO CA C 13 64.8 0.10 . 1 . . . . . . . . 6869 1 263 . 1 1 25 25 PRO HA H 1 4.31 0.02 . 1 . . . . . . . . 6869 1 264 . 1 1 25 25 PRO CB C 13 32.5 0.10 . 1 . . . . . . . . 6869 1 265 . 1 1 25 25 PRO HB2 H 1 2.41 0.02 . 1 . . . . . . . . 6869 1 266 . 1 1 25 25 PRO HB3 H 1 2.41 0.02 . 1 . . . . . . . . 6869 1 267 . 1 1 25 25 PRO CG C 13 27.1 0.10 . 1 . . . . . . . . 6869 1 268 . 1 1 25 25 PRO HG2 H 1 2.19 0.02 . 2 . . . . . . . . 6869 1 269 . 1 1 25 25 PRO HG3 H 1 2.04 0.02 . 2 . . . . . . . . 6869 1 270 . 1 1 25 25 PRO HD2 H 1 3.95 0.02 . 1 . . . . . . . . 6869 1 271 . 1 1 25 25 PRO HD3 H 1 3.84 0.02 . 1 . . . . . . . . 6869 1 272 . 1 1 25 25 PRO C C 13 179.2 0.10 . 1 . . . . . . . . 6869 1 273 . 1 1 26 26 TRP N N 15 120.9 0.10 . 1 . . . . . . . . 6869 1 274 . 1 1 26 26 TRP H H 1 8.65 0.02 . 1 . . . . . . . . 6869 1 275 . 1 1 26 26 TRP CA C 13 58.9 0.10 . 1 . . . . . . . . 6869 1 276 . 1 1 26 26 TRP HA H 1 5.21 0.02 . 1 . . . . . . . . 6869 1 277 . 1 1 26 26 TRP CB C 13 30.8 0.10 . 1 . . . . . . . . 6869 1 278 . 1 1 26 26 TRP HB2 H 1 3.38 0.02 . 1 . . . . . . . . 6869 1 279 . 1 1 26 26 TRP HB3 H 1 3.73 0.02 . 1 . . . . . . . . 6869 1 280 . 1 1 26 26 TRP NE1 N 15 128.3 0.10 . 1 . . . . . . . . 6869 1 281 . 1 1 26 26 TRP HD1 H 1 8.09 0.02 . 1 . . . . . . . . 6869 1 282 . 1 1 26 26 TRP HE3 H 1 7.91 0.02 . 1 . . . . . . . . 6869 1 283 . 1 1 26 26 TRP HE1 H 1 9.68 0.02 . 1 . . . . . . . . 6869 1 284 . 1 1 26 26 TRP HZ3 H 1 6.93 0.02 . 1 . . . . . . . . 6869 1 285 . 1 1 26 26 TRP HZ2 H 1 7.03 0.02 . 1 . . . . . . . . 6869 1 286 . 1 1 26 26 TRP HH2 H 1 6.67 0.02 . 1 . . . . . . . . 6869 1 287 . 1 1 26 26 TRP C C 13 176.6 0.10 . 1 . . . . . . . . 6869 1 288 . 1 1 27 27 ALA N N 15 122.4 0.10 . 1 . . . . . . . . 6869 1 289 . 1 1 27 27 ALA H H 1 8.33 0.02 . 1 . . . . . . . . 6869 1 290 . 1 1 27 27 ALA CA C 13 55.8 0.10 . 1 . . . . . . . . 6869 1 291 . 1 1 27 27 ALA HA H 1 3.42 0.02 . 1 . . . . . . . . 6869 1 292 . 1 1 27 27 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 293 . 1 1 27 27 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 294 . 1 1 27 27 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 295 . 1 1 27 27 ALA CB C 13 17.1 0.10 . 1 . . . . . . . . 6869 1 296 . 1 1 27 27 ALA C C 13 180.1 0.10 . 1 . . . . . . . . 6869 1 297 . 1 1 28 28 ALA N N 15 118.9 0.10 . 1 . . . . . . . . 6869 1 298 . 1 1 28 28 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 6869 1 299 . 1 1 28 28 ALA CA C 13 55.5 0.10 . 1 . . . . . . . . 6869 1 300 . 1 1 28 28 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . 6869 1 301 . 1 1 28 28 ALA HB1 H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 302 . 1 1 28 28 ALA HB2 H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 303 . 1 1 28 28 ALA HB3 H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 304 . 1 1 28 28 ALA CB C 13 17.6 0.10 . 1 . . . . . . . . 6869 1 305 . 1 1 28 28 ALA C C 13 180.6 0.10 . 1 . . . . . . . . 6869 1 306 . 1 1 29 29 GLN N N 15 122.2 0.10 . 1 . . . . . . . . 6869 1 307 . 1 1 29 29 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 6869 1 308 . 1 1 29 29 GLN CA C 13 59.8 0.10 . 1 . . . . . . . . 6869 1 309 . 1 1 29 29 GLN HA H 1 3.93 0.02 . 1 . . . . . . . . 6869 1 310 . 1 1 29 29 GLN CB C 13 29.1 0.10 . 1 . . . . . . . . 6869 1 311 . 1 1 29 29 GLN HB2 H 1 2.46 0.02 . 1 . . . . . . . . 6869 1 312 . 1 1 29 29 GLN HB3 H 1 2.10 0.02 . 1 . . . . . . . . 6869 1 313 . 1 1 29 29 GLN CG C 13 35.1 0.10 . 1 . . . . . . . . 6869 1 314 . 1 1 29 29 GLN HG2 H 1 2.61 0.02 . 2 . . . . . . . . 6869 1 315 . 1 1 29 29 GLN HG3 H 1 2.19 0.02 . 2 . . . . . . . . 6869 1 316 . 1 1 29 29 GLN NE2 N 15 109.7 0.10 . 1 . . . . . . . . 6869 1 317 . 1 1 29 29 GLN HE21 H 1 7.15 0.02 . 1 . . . . . . . . 6869 1 318 . 1 1 29 29 GLN HE22 H 1 6.97 0.02 . 1 . . . . . . . . 6869 1 319 . 1 1 29 29 GLN C C 13 178.5 0.10 . 1 . . . . . . . . 6869 1 320 . 1 1 30 30 VAL N N 15 118.7 0.10 . 1 . . . . . . . . 6869 1 321 . 1 1 30 30 VAL H H 1 8.50 0.02 . 1 . . . . . . . . 6869 1 322 . 1 1 30 30 VAL CA C 13 66.9 0.10 . 1 . . . . . . . . 6869 1 323 . 1 1 30 30 VAL HA H 1 2.85 0.02 . 1 . . . . . . . . 6869 1 324 . 1 1 30 30 VAL CB C 13 31.0 0.10 . 1 . . . . . . . . 6869 1 325 . 1 1 30 30 VAL HB H 1 1.50 0.02 . 1 . . . . . . . . 6869 1 326 . 1 1 30 30 VAL HG11 H 1 0.55 0.02 . 1 . . . . . . . . 6869 1 327 . 1 1 30 30 VAL HG12 H 1 0.55 0.02 . 1 . . . . . . . . 6869 1 328 . 1 1 30 30 VAL HG13 H 1 0.55 0.02 . 1 . . . . . . . . 6869 1 329 . 1 1 30 30 VAL HG21 H 1 -0.54 0.02 . 1 . . . . . . . . 6869 1 330 . 1 1 30 30 VAL HG22 H 1 -0.54 0.02 . 1 . . . . . . . . 6869 1 331 . 1 1 30 30 VAL HG23 H 1 -0.54 0.02 . 1 . . . . . . . . 6869 1 332 . 1 1 30 30 VAL CG1 C 13 23.0 0.10 . 1 . . . . . . . . 6869 1 333 . 1 1 30 30 VAL CG2 C 13 22.0 0.10 . 1 . . . . . . . . 6869 1 334 . 1 1 30 30 VAL C C 13 178.7 0.10 . 1 . . . . . . . . 6869 1 335 . 1 1 31 31 SER N N 15 112.8 0.10 . 1 . . . . . . . . 6869 1 336 . 1 1 31 31 SER H H 1 7.28 0.02 . 1 . . . . . . . . 6869 1 337 . 1 1 31 31 SER CA C 13 60.8 0.10 . 1 . . . . . . . . 6869 1 338 . 1 1 31 31 SER HA H 1 4.20 0.02 . 1 . . . . . . . . 6869 1 339 . 1 1 31 31 SER CB C 13 63.2 0.10 . 1 . . . . . . . . 6869 1 340 . 1 1 31 31 SER HB2 H 1 3.92 0.02 . 2 . . . . . . . . 6869 1 341 . 1 1 31 31 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 6869 1 342 . 1 1 31 31 SER C C 13 175.1 0.10 . 1 . . . . . . . . 6869 1 343 . 1 1 32 32 GLN N N 15 119.8 0.10 . 1 . . . . . . . . 6869 1 344 . 1 1 32 32 GLN H H 1 7.50 0.02 . 1 . . . . . . . . 6869 1 345 . 1 1 32 32 GLN CA C 13 56.1 0.10 . 1 . . . . . . . . 6869 1 346 . 1 1 32 32 GLN HA H 1 4.30 0.02 . 1 . . . . . . . . 6869 1 347 . 1 1 32 32 GLN CB C 13 30.1 0.10 . 1 . . . . . . . . 6869 1 348 . 1 1 32 32 GLN HB2 H 1 2.25 0.02 . 1 . . . . . . . . 6869 1 349 . 1 1 32 32 GLN HB3 H 1 2.12 0.02 . 1 . . . . . . . . 6869 1 350 . 1 1 32 32 GLN CG C 13 30.8 0.10 . 1 . . . . . . . . 6869 1 351 . 1 1 32 32 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 6869 1 352 . 1 1 32 32 GLN HG3 H 1 2.33 0.02 . 2 . . . . . . . . 6869 1 353 . 1 1 32 32 GLN NE2 N 15 110.8 0.10 . 1 . . . . . . . . 6869 1 354 . 1 1 32 32 GLN HE21 H 1 7.10 0.02 . 1 . . . . . . . . 6869 1 355 . 1 1 32 32 GLN HE22 H 1 6.73 0.02 . 1 . . . . . . . . 6869 1 356 . 1 1 32 32 GLN C C 13 176.5 0.10 . 1 . . . . . . . . 6869 1 357 . 1 1 33 33 LEU N N 15 118.9 0.10 . 1 . . . . . . . . 6869 1 358 . 1 1 33 33 LEU H H 1 7.56 0.02 . 1 . . . . . . . . 6869 1 359 . 1 1 33 33 LEU CA C 13 54.8 0.10 . 1 . . . . . . . . 6869 1 360 . 1 1 33 33 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 6869 1 361 . 1 1 33 33 LEU CB C 13 43.2 0.10 . 1 . . . . . . . . 6869 1 362 . 1 1 33 33 LEU HB2 H 1 1.86 0.02 . 1 . . . . . . . . 6869 1 363 . 1 1 33 33 LEU HB3 H 1 1.23 0.02 . 1 . . . . . . . . 6869 1 364 . 1 1 33 33 LEU HG H 1 2.18 0.02 . 1 . . . . . . . . 6869 1 365 . 1 1 33 33 LEU HD11 H 1 0.77 0.02 . 1 . . . . . . . . 6869 1 366 . 1 1 33 33 LEU HD12 H 1 0.77 0.02 . 1 . . . . . . . . 6869 1 367 . 1 1 33 33 LEU HD13 H 1 0.77 0.02 . 1 . . . . . . . . 6869 1 368 . 1 1 33 33 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 6869 1 369 . 1 1 33 33 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 6869 1 370 . 1 1 33 33 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 6869 1 371 . 1 1 33 33 LEU CD1 C 13 23.1 0.10 . 1 . . . . . . . . 6869 1 372 . 1 1 33 33 LEU CD2 C 13 25.7 0.10 . 1 . . . . . . . . 6869 1 373 . 1 1 33 33 LEU C C 13 175.9 0.10 . 1 . . . . . . . . 6869 1 374 . 1 1 34 34 SER N N 15 115.6 0.10 . 1 . . . . . . . . 6869 1 375 . 1 1 34 34 SER H H 1 8.25 0.02 . 1 . . . . . . . . 6869 1 376 . 1 1 34 34 SER CA C 13 57.0 0.10 . 1 . . . . . . . . 6869 1 377 . 1 1 34 34 SER HA H 1 4.34 0.02 . 1 . . . . . . . . 6869 1 378 . 1 1 34 34 SER CB C 13 62.2 0.10 . 1 . . . . . . . . 6869 1 379 . 1 1 34 34 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 6869 1 380 . 1 1 34 34 SER HB3 H 1 3.71 0.02 . 2 . . . . . . . . 6869 1 381 . 1 1 34 34 SER C C 13 174.1 0.10 . 1 . . . . . . . . 6869 1 382 . 1 1 35 35 LEU N N 15 123.3 0.10 . 1 . . . . . . . . 6869 1 383 . 1 1 35 35 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 6869 1 384 . 1 1 35 35 LEU CA C 13 52.0 0.10 . 1 . . . . . . . . 6869 1 385 . 1 1 35 35 LEU HA H 1 4.64 0.02 . 1 . . . . . . . . 6869 1 386 . 1 1 35 35 LEU CB C 13 43.8 0.10 . 1 . . . . . . . . 6869 1 387 . 1 1 35 35 LEU HB2 H 1 1.53 0.02 . 1 . . . . . . . . 6869 1 388 . 1 1 35 35 LEU HB3 H 1 1.17 0.02 . 1 . . . . . . . . 6869 1 389 . 1 1 35 35 LEU HG H 1 1.15 0.02 . 1 . . . . . . . . 6869 1 390 . 1 1 35 35 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . 6869 1 391 . 1 1 35 35 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . 6869 1 392 . 1 1 35 35 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . 6869 1 393 . 1 1 35 35 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 6869 1 394 . 1 1 35 35 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 6869 1 395 . 1 1 35 35 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 6869 1 396 . 1 1 36 36 PRO CA C 13 62.2 0.10 . 1 . . . . . . . . 6869 1 397 . 1 1 36 36 PRO HA H 1 4.56 0.02 . 1 . . . . . . . . 6869 1 398 . 1 1 36 36 PRO CB C 13 32.2 0.10 . 1 . . . . . . . . 6869 1 399 . 1 1 36 36 PRO HB2 H 1 1.93 0.02 . 1 . . . . . . . . 6869 1 400 . 1 1 36 36 PRO HB3 H 1 2.54 0.02 . 1 . . . . . . . . 6869 1 401 . 1 1 36 36 PRO HG2 H 1 2.16 0.02 . 1 . . . . . . . . 6869 1 402 . 1 1 36 36 PRO HG3 H 1 2.16 0.02 . 1 . . . . . . . . 6869 1 403 . 1 1 36 36 PRO HD2 H 1 3.20 0.02 . 1 . . . . . . . . 6869 1 404 . 1 1 36 36 PRO HD3 H 1 3.20 0.02 . 1 . . . . . . . . 6869 1 405 . 1 1 36 36 PRO C C 13 177.7 0.10 . 1 . . . . . . . . 6869 1 406 . 1 1 37 37 LYS N N 15 124.8 0.10 . 1 . . . . . . . . 6869 1 407 . 1 1 37 37 LYS H H 1 8.74 0.02 . 1 . . . . . . . . 6869 1 408 . 1 1 37 37 LYS CA C 13 60.3 0.10 . 1 . . . . . . . . 6869 1 409 . 1 1 37 37 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 6869 1 410 . 1 1 37 37 LYS CB C 13 32.5 0.10 . 1 . . . . . . . . 6869 1 411 . 1 1 37 37 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6869 1 412 . 1 1 37 37 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 6869 1 413 . 1 1 37 37 LYS CG C 13 24.3 0.10 . 1 . . . . . . . . 6869 1 414 . 1 1 37 37 LYS HG2 H 1 1.70 0.02 . 2 . . . . . . . . 6869 1 415 . 1 1 37 37 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . 6869 1 416 . 1 1 37 37 LYS CD C 13 28.5 0.10 . 1 . . . . . . . . 6869 1 417 . 1 1 37 37 LYS CE C 13 41.9 0.10 . 1 . . . . . . . . 6869 1 418 . 1 1 37 37 LYS C C 13 178.6 0.10 . 1 . . . . . . . . 6869 1 419 . 1 1 38 38 LEU N N 15 116.7 0.10 . 1 . . . . . . . . 6869 1 420 . 1 1 38 38 LEU H H 1 8.95 0.02 . 1 . . . . . . . . 6869 1 421 . 1 1 38 38 LEU CA C 13 57.8 0.10 . 1 . . . . . . . . 6869 1 422 . 1 1 38 38 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 6869 1 423 . 1 1 38 38 LEU CB C 13 41.2 0.10 . 1 . . . . . . . . 6869 1 424 . 1 1 38 38 LEU HB2 H 1 1.74 0.02 . 1 . . . . . . . . 6869 1 425 . 1 1 38 38 LEU HB3 H 1 1.55 0.02 . 1 . . . . . . . . 6869 1 426 . 1 1 38 38 LEU CG C 13 27.1 0.10 . 1 . . . . . . . . 6869 1 427 . 1 1 38 38 LEU HG H 1 1.01 0.02 . 1 . . . . . . . . 6869 1 428 . 1 1 38 38 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 6869 1 429 . 1 1 38 38 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 6869 1 430 . 1 1 38 38 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 6869 1 431 . 1 1 38 38 LEU HD21 H 1 0.85 0.02 . 1 . . . . . . . . 6869 1 432 . 1 1 38 38 LEU HD22 H 1 0.85 0.02 . 1 . . . . . . . . 6869 1 433 . 1 1 38 38 LEU HD23 H 1 0.85 0.02 . 1 . . . . . . . . 6869 1 434 . 1 1 38 38 LEU CD1 C 13 25.0 0.10 . 1 . . . . . . . . 6869 1 435 . 1 1 38 38 LEU CD2 C 13 22.2 0.10 . 1 . . . . . . . . 6869 1 436 . 1 1 38 38 LEU C C 13 178.5 0.10 . 1 . . . . . . . . 6869 1 437 . 1 1 39 39 VAL N N 15 118.0 0.10 . 1 . . . . . . . . 6869 1 438 . 1 1 39 39 VAL H H 1 7.27 0.02 . 1 . . . . . . . . 6869 1 439 . 1 1 39 39 VAL CA C 13 65.0 0.10 . 1 . . . . . . . . 6869 1 440 . 1 1 39 39 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 6869 1 441 . 1 1 39 39 VAL CB C 13 31.7 0.10 . 1 . . . . . . . . 6869 1 442 . 1 1 39 39 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 6869 1 443 . 1 1 39 39 VAL HG11 H 1 1.06 0.02 . 1 . . . . . . . . 6869 1 444 . 1 1 39 39 VAL HG12 H 1 1.06 0.02 . 1 . . . . . . . . 6869 1 445 . 1 1 39 39 VAL HG13 H 1 1.06 0.02 . 1 . . . . . . . . 6869 1 446 . 1 1 39 39 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . 6869 1 447 . 1 1 39 39 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . 6869 1 448 . 1 1 39 39 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . 6869 1 449 . 1 1 39 39 VAL CG1 C 13 23.4 0.10 . 1 . . . . . . . . 6869 1 450 . 1 1 39 39 VAL CG2 C 13 22.5 0.10 . 1 . . . . . . . . 6869 1 451 . 1 1 39 39 VAL C C 13 177.8 0.10 . 1 . . . . . . . . 6869 1 452 . 1 1 40 40 GLU N N 15 123.3 0.10 . 1 . . . . . . . . 6869 1 453 . 1 1 40 40 GLU H H 1 8.75 0.02 . 1 . . . . . . . . 6869 1 454 . 1 1 40 40 GLU CA C 13 59.8 0.10 . 1 . . . . . . . . 6869 1 455 . 1 1 40 40 GLU HA H 1 3.64 0.02 . 1 . . . . . . . . 6869 1 456 . 1 1 40 40 GLU CB C 13 29.6 0.10 . 1 . . . . . . . . 6869 1 457 . 1 1 40 40 GLU HB2 H 1 1.80 0.02 . 1 . . . . . . . . 6869 1 458 . 1 1 40 40 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 6869 1 459 . 1 1 40 40 GLU CG C 13 36.6 0.10 . 1 . . . . . . . . 6869 1 460 . 1 1 40 40 GLU HG2 H 1 2.06 0.02 . 2 . . . . . . . . 6869 1 461 . 1 1 40 40 GLU HG3 H 1 1.99 0.02 . 2 . . . . . . . . 6869 1 462 . 1 1 40 40 GLU C C 13 177.3 0.10 . 1 . . . . . . . . 6869 1 463 . 1 1 41 41 GLN N N 15 114.8 0.10 . 1 . . . . . . . . 6869 1 464 . 1 1 41 41 GLN H H 1 7.76 0.02 . 1 . . . . . . . . 6869 1 465 . 1 1 41 41 GLN CA C 13 59.3 0.10 . 1 . . . . . . . . 6869 1 466 . 1 1 41 41 GLN HA H 1 3.80 0.02 . 1 . . . . . . . . 6869 1 467 . 1 1 41 41 GLN CB C 13 28.9 0.10 . 1 . . . . . . . . 6869 1 468 . 1 1 41 41 GLN HB2 H 1 2.13 0.02 . 2 . . . . . . . . 6869 1 469 . 1 1 41 41 GLN HB3 H 1 1.97 0.02 . 2 . . . . . . . . 6869 1 470 . 1 1 41 41 GLN CG C 13 33.8 0.10 . 1 . . . . . . . . 6869 1 471 . 1 1 41 41 GLN HG2 H 1 2.35 0.02 . 1 . . . . . . . . 6869 1 472 . 1 1 41 41 GLN HG3 H 1 2.35 0.02 . 1 . . . . . . . . 6869 1 473 . 1 1 41 41 GLN NE2 N 15 112.1 0.10 . 1 . . . . . . . . 6869 1 474 . 1 1 41 41 GLN HE21 H 1 7.63 0.02 . 1 . . . . . . . . 6869 1 475 . 1 1 41 41 GLN HE22 H 1 6.70 0.02 . 1 . . . . . . . . 6869 1 476 . 1 1 41 41 GLN C C 13 177.9 0.10 . 1 . . . . . . . . 6869 1 477 . 1 1 42 42 VAL N N 15 118.9 0.10 . 1 . . . . . . . . 6869 1 478 . 1 1 42 42 VAL H H 1 7.03 0.02 . 1 . . . . . . . . 6869 1 479 . 1 1 42 42 VAL CA C 13 66.4 0.10 . 1 . . . . . . . . 6869 1 480 . 1 1 42 42 VAL HA H 1 3.45 0.02 . 1 . . . . . . . . 6869 1 481 . 1 1 42 42 VAL CB C 13 31.3 0.10 . 1 . . . . . . . . 6869 1 482 . 1 1 42 42 VAL HB H 1 2.40 0.02 . 1 . . . . . . . . 6869 1 483 . 1 1 42 42 VAL HG11 H 1 0.72 0.02 . 1 . . . . . . . . 6869 1 484 . 1 1 42 42 VAL HG12 H 1 0.72 0.02 . 1 . . . . . . . . 6869 1 485 . 1 1 42 42 VAL HG13 H 1 0.72 0.02 . 1 . . . . . . . . 6869 1 486 . 1 1 42 42 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 487 . 1 1 42 42 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 488 . 1 1 42 42 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 489 . 1 1 42 42 VAL CG1 C 13 20.9 0.10 . 1 . . . . . . . . 6869 1 490 . 1 1 42 42 VAL CG2 C 13 24.0 0.10 . 1 . . . . . . . . 6869 1 491 . 1 1 42 42 VAL C C 13 175.8 0.10 . 1 . . . . . . . . 6869 1 492 . 1 1 43 43 ALA N N 15 118.9 0.10 . 1 . . . . . . . . 6869 1 493 . 1 1 43 43 ALA H H 1 7.21 0.02 . 1 . . . . . . . . 6869 1 494 . 1 1 43 43 ALA CA C 13 55.9 0.10 . 1 . . . . . . . . 6869 1 495 . 1 1 43 43 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 6869 1 496 . 1 1 43 43 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 497 . 1 1 43 43 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 498 . 1 1 43 43 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 499 . 1 1 43 43 ALA CB C 13 19.2 0.10 . 1 . . . . . . . . 6869 1 500 . 1 1 43 43 ALA C C 13 178.6 0.10 . 1 . . . . . . . . 6869 1 501 . 1 1 44 44 LEU N N 15 110.8 0.10 . 1 . . . . . . . . 6869 1 502 . 1 1 44 44 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 6869 1 503 . 1 1 44 44 LEU CA C 13 56.3 0.10 . 1 . . . . . . . . 6869 1 504 . 1 1 44 44 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 6869 1 505 . 1 1 44 44 LEU CB C 13 42.7 0.10 . 1 . . . . . . . . 6869 1 506 . 1 1 44 44 LEU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 6869 1 507 . 1 1 44 44 LEU HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 508 . 1 1 44 44 LEU CG C 13 29.5 0.10 . 1 . . . . . . . . 6869 1 509 . 1 1 44 44 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 6869 1 510 . 1 1 44 44 LEU HD11 H 1 0.74 0.02 . 1 . . . . . . . . 6869 1 511 . 1 1 44 44 LEU HD12 H 1 0.74 0.02 . 1 . . . . . . . . 6869 1 512 . 1 1 44 44 LEU HD13 H 1 0.74 0.02 . 1 . . . . . . . . 6869 1 513 . 1 1 44 44 LEU HD21 H 1 0.68 0.02 . 1 . . . . . . . . 6869 1 514 . 1 1 44 44 LEU HD22 H 1 0.68 0.02 . 1 . . . . . . . . 6869 1 515 . 1 1 44 44 LEU HD23 H 1 0.68 0.02 . 1 . . . . . . . . 6869 1 516 . 1 1 44 44 LEU CD1 C 13 26.2 0.10 . 1 . . . . . . . . 6869 1 517 . 1 1 44 44 LEU CD2 C 13 23.1 0.10 . 1 . . . . . . . . 6869 1 518 . 1 1 44 44 LEU C C 13 176.1 0.10 . 1 . . . . . . . . 6869 1 519 . 1 1 45 45 ASN N N 15 115.4 0.10 . 1 . . . . . . . . 6869 1 520 . 1 1 45 45 ASN H H 1 7.26 0.02 . 1 . . . . . . . . 6869 1 521 . 1 1 45 45 ASN CA C 13 53.0 0.10 . 1 . . . . . . . . 6869 1 522 . 1 1 45 45 ASN HA H 1 5.02 0.02 . 1 . . . . . . . . 6869 1 523 . 1 1 45 45 ASN CB C 13 41.2 0.10 . 1 . . . . . . . . 6869 1 524 . 1 1 45 45 ASN HB2 H 1 2.58 0.02 . 1 . . . . . . . . 6869 1 525 . 1 1 45 45 ASN HB3 H 1 3.18 0.02 . 1 . . . . . . . . 6869 1 526 . 1 1 45 45 ASN ND2 N 15 117.4 0.10 . 1 . . . . . . . . 6869 1 527 . 1 1 45 45 ASN HD21 H 1 8.49 0.02 . 1 . . . . . . . . 6869 1 528 . 1 1 45 45 ASN HD22 H 1 6.88 0.02 . 1 . . . . . . . . 6869 1 529 . 1 1 45 45 ASN C C 13 170.7 0.10 . 1 . . . . . . . . 6869 1 530 . 1 1 46 46 ALA N N 15 120.9 0.10 . 1 . . . . . . . . 6869 1 531 . 1 1 46 46 ALA H H 1 7.71 0.02 . 1 . . . . . . . . 6869 1 532 . 1 1 46 46 ALA CA C 13 50.2 0.10 . 1 . . . . . . . . 6869 1 533 . 1 1 46 46 ALA HA H 1 5.92 0.02 . 1 . . . . . . . . 6869 1 534 . 1 1 46 46 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 6869 1 535 . 1 1 46 46 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 6869 1 536 . 1 1 46 46 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 6869 1 537 . 1 1 46 46 ALA CB C 13 24.2 0.10 . 1 . . . . . . . . 6869 1 538 . 1 1 46 46 ALA C C 13 175.4 0.10 . 1 . . . . . . . . 6869 1 539 . 1 1 47 47 TRP N N 15 114.3 0.10 . 1 . . . . . . . . 6869 1 540 . 1 1 47 47 TRP H H 1 8.13 0.02 . 1 . . . . . . . . 6869 1 541 . 1 1 47 47 TRP CA C 13 53.8 0.10 . 1 . . . . . . . . 6869 1 542 . 1 1 47 47 TRP HA H 1 5.36 0.02 . 1 . . . . . . . . 6869 1 543 . 1 1 47 47 TRP CB C 13 31.7 0.10 . 1 . . . . . . . . 6869 1 544 . 1 1 47 47 TRP HB2 H 1 3.61 0.02 . 1 . . . . . . . . 6869 1 545 . 1 1 47 47 TRP HB3 H 1 2.66 0.02 . 1 . . . . . . . . 6869 1 546 . 1 1 47 47 TRP NE1 N 15 126.6 0.10 . 1 . . . . . . . . 6869 1 547 . 1 1 47 47 TRP HD1 H 1 6.74 0.02 . 1 . . . . . . . . 6869 1 548 . 1 1 47 47 TRP HE3 H 1 7.22 0.02 . 1 . . . . . . . . 6869 1 549 . 1 1 47 47 TRP HE1 H 1 9.01 0.02 . 1 . . . . . . . . 6869 1 550 . 1 1 47 47 TRP HZ3 H 1 6.56 0.02 . 1 . . . . . . . . 6869 1 551 . 1 1 47 47 TRP HZ2 H 1 6.95 0.02 . 1 . . . . . . . . 6869 1 552 . 1 1 47 47 TRP HH2 H 1 6.49 0.02 . 1 . . . . . . . . 6869 1 553 . 1 1 47 47 TRP C C 13 174.3 0.10 . 1 . . . . . . . . 6869 1 554 . 1 1 48 48 LYS N N 15 123.1 0.10 . 1 . . . . . . . . 6869 1 555 . 1 1 48 48 LYS H H 1 9.24 0.02 . 1 . . . . . . . . 6869 1 556 . 1 1 48 48 LYS CA C 13 56.3 0.10 . 1 . . . . . . . . 6869 1 557 . 1 1 48 48 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 6869 1 558 . 1 1 48 48 LYS CB C 13 34.1 0.10 . 1 . . . . . . . . 6869 1 559 . 1 1 48 48 LYS HB2 H 1 -0.04 0.02 . 1 . . . . . . . . 6869 1 560 . 1 1 48 48 LYS HB3 H 1 1.28 0.02 . 1 . . . . . . . . 6869 1 561 . 1 1 48 48 LYS CG C 13 25.0 0.10 . 1 . . . . . . . . 6869 1 562 . 1 1 48 48 LYS HG2 H 1 0.76 0.02 . 2 . . . . . . . . 6869 1 563 . 1 1 48 48 LYS HG3 H 1 0.56 0.02 . 2 . . . . . . . . 6869 1 564 . 1 1 48 48 LYS CD C 13 28.5 0.10 . 1 . . . . . . . . 6869 1 565 . 1 1 48 48 LYS HD2 H 1 1.29 0.02 . 1 . . . . . . . . 6869 1 566 . 1 1 48 48 LYS HD3 H 1 1.29 0.02 . 1 . . . . . . . . 6869 1 567 . 1 1 48 48 LYS CE C 13 41.5 0.10 . 1 . . . . . . . . 6869 1 568 . 1 1 48 48 LYS HE2 H 1 2.86 0.02 . 2 . . . . . . . . 6869 1 569 . 1 1 48 48 LYS HE3 H 1 2.66 0.02 . 2 . . . . . . . . 6869 1 570 . 1 1 48 48 LYS C C 13 174.3 0.10 . 1 . . . . . . . . 6869 1 571 . 1 1 49 49 GLU N N 15 129.0 0.10 . 1 . . . . . . . . 6869 1 572 . 1 1 49 49 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 6869 1 573 . 1 1 49 49 GLU CA C 13 54.4 0.10 . 1 . . . . . . . . 6869 1 574 . 1 1 49 49 GLU HA H 1 4.78 0.02 . 1 . . . . . . . . 6869 1 575 . 1 1 49 49 GLU CB C 13 32.7 0.10 . 1 . . . . . . . . 6869 1 576 . 1 1 49 49 GLU HB2 H 1 1.90 0.02 . 1 . . . . . . . . 6869 1 577 . 1 1 49 49 GLU HB3 H 1 2.29 0.02 . 1 . . . . . . . . 6869 1 578 . 1 1 49 49 GLU CG C 13 35.5 0.10 . 1 . . . . . . . . 6869 1 579 . 1 1 49 49 GLU HG2 H 1 2.36 0.02 . 2 . . . . . . . . 6869 1 580 . 1 1 49 49 GLU HG3 H 1 2.13 0.02 . 2 . . . . . . . . 6869 1 581 . 1 1 49 49 GLU C C 13 174.0 0.10 . 1 . . . . . . . . 6869 1 582 . 1 1 50 50 GLU N N 15 125.9 0.10 . 1 . . . . . . . . 6869 1 583 . 1 1 50 50 GLU H H 1 8.91 0.02 . 1 . . . . . . . . 6869 1 584 . 1 1 50 50 GLU CA C 13 55.1 0.10 . 1 . . . . . . . . 6869 1 585 . 1 1 50 50 GLU HA H 1 5.08 0.02 . 1 . . . . . . . . 6869 1 586 . 1 1 50 50 GLU CB C 13 33.4 0.10 . 1 . . . . . . . . 6869 1 587 . 1 1 50 50 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 6869 1 588 . 1 1 50 50 GLU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 6869 1 589 . 1 1 50 50 GLU CG C 13 35.7 0.10 . 1 . . . . . . . . 6869 1 590 . 1 1 50 50 GLU HG2 H 1 2.11 0.02 . 1 . . . . . . . . 6869 1 591 . 1 1 50 50 GLU HG3 H 1 2.11 0.02 . 1 . . . . . . . . 6869 1 592 . 1 1 50 50 GLU C C 13 174.5 0.10 . 1 . . . . . . . . 6869 1 593 . 1 1 51 51 SER N N 15 119.3 0.10 . 1 . . . . . . . . 6869 1 594 . 1 1 51 51 SER H H 1 8.54 0.02 . 1 . . . . . . . . 6869 1 595 . 1 1 51 51 SER CA C 13 57.0 0.10 . 1 . . . . . . . . 6869 1 596 . 1 1 51 51 SER HA H 1 4.60 0.02 . 1 . . . . . . . . 6869 1 597 . 1 1 51 51 SER CB C 13 64.2 0.10 . 1 . . . . . . . . 6869 1 598 . 1 1 51 51 SER HB2 H 1 3.78 0.02 . 1 . . . . . . . . 6869 1 599 . 1 1 51 51 SER HB3 H 1 3.84 0.02 . 1 . . . . . . . . 6869 1 600 . 1 1 51 51 SER C C 13 174.0 0.10 . 1 . . . . . . . . 6869 1 601 . 1 1 52 52 ASP N N 15 124.4 0.10 . 1 . . . . . . . . 6869 1 602 . 1 1 52 52 ASP H H 1 8.98 0.02 . 1 . . . . . . . . 6869 1 603 . 1 1 52 52 ASP CA C 13 56.9 0.10 . 1 . . . . . . . . 6869 1 604 . 1 1 52 52 ASP HA H 1 4.19 0.02 . 1 . . . . . . . . 6869 1 605 . 1 1 52 52 ASP CB C 13 39.7 0.10 . 1 . . . . . . . . 6869 1 606 . 1 1 52 52 ASP HB2 H 1 2.70 0.02 . 1 . . . . . . . . 6869 1 607 . 1 1 52 52 ASP HB3 H 1 2.77 0.02 . 1 . . . . . . . . 6869 1 608 . 1 1 52 52 ASP C C 13 175.3 0.10 . 1 . . . . . . . . 6869 1 609 . 1 1 53 53 ASN N N 15 116.9 0.10 . 1 . . . . . . . . 6869 1 610 . 1 1 53 53 ASN H H 1 8.41 0.02 . 1 . . . . . . . . 6869 1 611 . 1 1 53 53 ASN CA C 13 53.6 0.10 . 1 . . . . . . . . 6869 1 612 . 1 1 53 53 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 6869 1 613 . 1 1 53 53 ASN CB C 13 38.7 0.10 . 1 . . . . . . . . 6869 1 614 . 1 1 53 53 ASN HB2 H 1 2.96 0.02 . 2 . . . . . . . . 6869 1 615 . 1 1 53 53 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 6869 1 616 . 1 1 53 53 ASN ND2 N 15 113.0 0.10 . 1 . . . . . . . . 6869 1 617 . 1 1 53 53 ASN HD21 H 1 7.48 0.02 . 1 . . . . . . . . 6869 1 618 . 1 1 53 53 ASN HD22 H 1 6.87 0.02 . 1 . . . . . . . . 6869 1 619 . 1 1 53 53 ASN C C 13 173.2 0.10 . 1 . . . . . . . . 6869 1 620 . 1 1 54 54 ALA N N 15 122.6 0.10 . 1 . . . . . . . . 6869 1 621 . 1 1 54 54 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 6869 1 622 . 1 1 54 54 ALA CA C 13 51.4 0.10 . 1 . . . . . . . . 6869 1 623 . 1 1 54 54 ALA HA H 1 5.02 0.02 . 1 . . . . . . . . 6869 1 624 . 1 1 54 54 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 6869 1 625 . 1 1 54 54 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 6869 1 626 . 1 1 54 54 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 6869 1 627 . 1 1 54 54 ALA CB C 13 20.9 0.10 . 1 . . . . . . . . 6869 1 628 . 1 1 54 54 ALA C C 13 175.7 0.10 . 1 . . . . . . . . 6869 1 629 . 1 1 55 55 VAL N N 15 122.0 0.10 . 1 . . . . . . . . 6869 1 630 . 1 1 55 55 VAL H H 1 8.59 0.02 . 1 . . . . . . . . 6869 1 631 . 1 1 55 55 VAL CA C 13 60.9 0.10 . 1 . . . . . . . . 6869 1 632 . 1 1 55 55 VAL HA H 1 4.42 0.02 . 1 . . . . . . . . 6869 1 633 . 1 1 55 55 VAL CB C 13 34.9 0.10 . 1 . . . . . . . . 6869 1 634 . 1 1 55 55 VAL HB H 1 1.58 0.02 . 1 . . . . . . . . 6869 1 635 . 1 1 55 55 VAL HG11 H 1 0.51 0.02 . 1 . . . . . . . . 6869 1 636 . 1 1 55 55 VAL HG12 H 1 0.51 0.02 . 1 . . . . . . . . 6869 1 637 . 1 1 55 55 VAL HG13 H 1 0.51 0.02 . 1 . . . . . . . . 6869 1 638 . 1 1 55 55 VAL HG21 H 1 0.81 0.02 . 1 . . . . . . . . 6869 1 639 . 1 1 55 55 VAL HG22 H 1 0.81 0.02 . 1 . . . . . . . . 6869 1 640 . 1 1 55 55 VAL HG23 H 1 0.81 0.02 . 1 . . . . . . . . 6869 1 641 . 1 1 55 55 VAL CG1 C 13 21.6 0.10 . 1 . . . . . . . . 6869 1 642 . 1 1 55 55 VAL CG2 C 13 22.3 0.10 . 1 . . . . . . . . 6869 1 643 . 1 1 55 55 VAL C C 13 173.3 0.10 . 1 . . . . . . . . 6869 1 644 . 1 1 56 56 CYS N N 15 128.5 0.10 . 1 . . . . . . . . 6869 1 645 . 1 1 56 56 CYS H H 1 9.00 0.02 . 1 . . . . . . . . 6869 1 646 . 1 1 56 56 CYS CA C 13 55.8 0.10 . 1 . . . . . . . . 6869 1 647 . 1 1 56 56 CYS HA H 1 5.20 0.02 . 1 . . . . . . . . 6869 1 648 . 1 1 56 56 CYS CB C 13 28.2 0.10 . 1 . . . . . . . . 6869 1 649 . 1 1 56 56 CYS HB2 H 1 2.52 0.02 . 1 . . . . . . . . 6869 1 650 . 1 1 56 56 CYS HB3 H 1 2.57 0.02 . 1 . . . . . . . . 6869 1 651 . 1 1 56 56 CYS C C 13 174.4 0.10 . 1 . . . . . . . . 6869 1 652 . 1 1 57 57 LEU N N 15 128.5 0.10 . 1 . . . . . . . . 6869 1 653 . 1 1 57 57 LEU H H 1 8.94 0.02 . 1 . . . . . . . . 6869 1 654 . 1 1 57 57 LEU CA C 13 52.6 0.10 . 1 . . . . . . . . 6869 1 655 . 1 1 57 57 LEU HA H 1 4.73 0.02 . 1 . . . . . . . . 6869 1 656 . 1 1 57 57 LEU CB C 13 42.2 0.10 . 1 . . . . . . . . 6869 1 657 . 1 1 57 57 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 6869 1 658 . 1 1 57 57 LEU HB3 H 1 0.90 0.02 . 1 . . . . . . . . 6869 1 659 . 1 1 57 57 LEU CG C 13 28.0 0.10 . 1 . . . . . . . . 6869 1 660 . 1 1 57 57 LEU HG H 1 1.36 0.02 . 1 . . . . . . . . 6869 1 661 . 1 1 57 57 LEU HD11 H 1 0.71 0.02 . 1 . . . . . . . . 6869 1 662 . 1 1 57 57 LEU HD12 H 1 0.71 0.02 . 1 . . . . . . . . 6869 1 663 . 1 1 57 57 LEU HD13 H 1 0.71 0.02 . 1 . . . . . . . . 6869 1 664 . 1 1 57 57 LEU HD21 H 1 0.09 0.02 . 1 . . . . . . . . 6869 1 665 . 1 1 57 57 LEU HD22 H 1 0.09 0.02 . 1 . . . . . . . . 6869 1 666 . 1 1 57 57 LEU HD23 H 1 0.09 0.02 . 1 . . . . . . . . 6869 1 667 . 1 1 57 57 LEU CD1 C 13 26.3 0.10 . 1 . . . . . . . . 6869 1 668 . 1 1 57 57 LEU CD2 C 13 22.7 0.10 . 1 . . . . . . . . 6869 1 669 . 1 1 57 57 LEU C C 13 174.1 0.10 . 1 . . . . . . . . 6869 1 670 . 1 1 58 58 HIS N N 15 124.2 0.10 . 1 . . . . . . . . 6869 1 671 . 1 1 58 58 HIS H H 1 8.98 0.02 . 1 . . . . . . . . 6869 1 672 . 1 1 58 58 HIS CA C 13 53.5 0.10 . 1 . . . . . . . . 6869 1 673 . 1 1 58 58 HIS HA H 1 4.27 0.02 . 1 . . . . . . . . 6869 1 674 . 1 1 58 58 HIS CB C 13 26.5 0.10 . 1 . . . . . . . . 6869 1 675 . 1 1 58 58 HIS HB2 H 1 1.04 0.02 . 1 . . . . . . . . 6869 1 676 . 1 1 58 58 HIS HB3 H 1 1.04 0.02 . 1 . . . . . . . . 6869 1 677 . 1 1 58 58 HIS HD2 H 1 6.17 0.02 . 1 . . . . . . . . 6869 1 678 . 1 1 58 58 HIS HE1 H 1 8.23 0.02 . 1 . . . . . . . . 6869 1 679 . 1 1 58 58 HIS C C 13 171.9 0.10 . 1 . . . . . . . . 6869 1 680 . 1 1 59 59 LEU N N 15 124.8 0.10 . 1 . . . . . . . . 6869 1 681 . 1 1 59 59 LEU H H 1 8.80 0.02 . 1 . . . . . . . . 6869 1 682 . 1 1 59 59 LEU CA C 13 53.7 0.10 . 1 . . . . . . . . 6869 1 683 . 1 1 59 59 LEU HA H 1 4.60 0.02 . 1 . . . . . . . . 6869 1 684 . 1 1 59 59 LEU CB C 13 46.8 0.10 . 1 . . . . . . . . 6869 1 685 . 1 1 59 59 LEU HB2 H 1 1.55 0.02 . 1 . . . . . . . . 6869 1 686 . 1 1 59 59 LEU HB3 H 1 0.80 0.02 . 1 . . . . . . . . 6869 1 687 . 1 1 59 59 LEU HG H 1 1.83 0.02 . 1 . . . . . . . . 6869 1 688 . 1 1 59 59 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 689 . 1 1 59 59 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 690 . 1 1 59 59 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 691 . 1 1 59 59 LEU HD21 H 1 0.61 0.02 . 1 . . . . . . . . 6869 1 692 . 1 1 59 59 LEU HD22 H 1 0.61 0.02 . 1 . . . . . . . . 6869 1 693 . 1 1 59 59 LEU HD23 H 1 0.61 0.02 . 1 . . . . . . . . 6869 1 694 . 1 1 59 59 LEU CD1 C 13 26.6 0.10 . 1 . . . . . . . . 6869 1 695 . 1 1 59 59 LEU CD2 C 13 25.4 0.10 . 1 . . . . . . . . 6869 1 696 . 1 1 59 59 LEU C C 13 176.0 0.10 . 1 . . . . . . . . 6869 1 697 . 1 1 60 60 ARG N N 15 123.7 0.10 . 1 . . . . . . . . 6869 1 698 . 1 1 60 60 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 6869 1 699 . 1 1 60 60 ARG CA C 13 55.0 0.10 . 1 . . . . . . . . 6869 1 700 . 1 1 60 60 ARG HA H 1 4.51 0.02 . 1 . . . . . . . . 6869 1 701 . 1 1 60 60 ARG CB C 13 29.8 0.10 . 1 . . . . . . . . 6869 1 702 . 1 1 60 60 ARG HB2 H 1 1.99 0.02 . 1 . . . . . . . . 6869 1 703 . 1 1 60 60 ARG HB3 H 1 2.32 0.02 . 1 . . . . . . . . 6869 1 704 . 1 1 60 60 ARG HG2 H 1 2.27 0.02 . 2 . . . . . . . . 6869 1 705 . 1 1 60 60 ARG HG3 H 1 2.01 0.02 . 2 . . . . . . . . 6869 1 706 . 1 1 60 60 ARG CD C 13 42.4 0.10 . 1 . . . . . . . . 6869 1 707 . 1 1 60 60 ARG HD2 H 1 3.73 0.02 . 2 . . . . . . . . 6869 1 708 . 1 1 60 60 ARG HD3 H 1 3.34 0.02 . 2 . . . . . . . . 6869 1 709 . 1 1 60 60 ARG HE H 1 9.02 0.02 . 1 . . . . . . . . 6869 1 710 . 1 1 60 60 ARG C C 13 178.9 0.10 . 1 . . . . . . . . 6869 1 711 . 1 1 61 61 SER N N 15 120.9 0.10 . 1 . . . . . . . . 6869 1 712 . 1 1 61 61 SER H H 1 10.25 0.02 . 1 . . . . . . . . 6869 1 713 . 1 1 61 61 SER CA C 13 62.0 0.10 . 1 . . . . . . . . 6869 1 714 . 1 1 61 61 SER HA H 1 3.91 0.02 . 1 . . . . . . . . 6869 1 715 . 1 1 61 61 SER CB C 13 63.2 0.10 . 1 . . . . . . . . 6869 1 716 . 1 1 61 61 SER HB2 H 1 3.94 0.02 . 1 . . . . . . . . 6869 1 717 . 1 1 61 61 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 6869 1 718 . 1 1 61 61 SER C C 13 177.1 0.10 . 1 . . . . . . . . 6869 1 719 . 1 1 62 62 SER N N 15 118.0 0.10 . 1 . . . . . . . . 6869 1 720 . 1 1 62 62 SER H H 1 8.01 0.02 . 1 . . . . . . . . 6869 1 721 . 1 1 62 62 SER CA C 13 59.7 0.10 . 1 . . . . . . . . 6869 1 722 . 1 1 62 62 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 6869 1 723 . 1 1 62 62 SER CB C 13 62.0 0.10 . 1 . . . . . . . . 6869 1 724 . 1 1 62 62 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 6869 1 725 . 1 1 62 62 SER HB3 H 1 4.00 0.02 . 2 . . . . . . . . 6869 1 726 . 1 1 62 62 SER C C 13 175.2 0.10 . 1 . . . . . . . . 6869 1 727 . 1 1 63 63 GLN N N 15 118.0 0.10 . 1 . . . . . . . . 6869 1 728 . 1 1 63 63 GLN H H 1 7.68 0.02 . 1 . . . . . . . . 6869 1 729 . 1 1 63 63 GLN CA C 13 53.4 0.10 . 1 . . . . . . . . 6869 1 730 . 1 1 63 63 GLN HA H 1 4.72 0.02 . 1 . . . . . . . . 6869 1 731 . 1 1 63 63 GLN CB C 13 27.9 0.10 . 1 . . . . . . . . 6869 1 732 . 1 1 63 63 GLN HB2 H 1 2.45 0.02 . 1 . . . . . . . . 6869 1 733 . 1 1 63 63 GLN HB3 H 1 1.67 0.02 . 1 . . . . . . . . 6869 1 734 . 1 1 63 63 GLN CG C 13 32.9 0.10 . 1 . . . . . . . . 6869 1 735 . 1 1 63 63 GLN HG2 H 1 2.24 0.02 . 2 . . . . . . . . 6869 1 736 . 1 1 63 63 GLN HG3 H 1 2.13 0.02 . 2 . . . . . . . . 6869 1 737 . 1 1 63 63 GLN NE2 N 15 110.2 0.10 . 1 . . . . . . . . 6869 1 738 . 1 1 63 63 GLN HE21 H 1 6.99 0.02 . 2 . . . . . . . . 6869 1 739 . 1 1 63 63 GLN HE22 H 1 6.43 0.02 . 2 . . . . . . . . 6869 1 740 . 1 1 63 63 GLN C C 13 176.6 0.10 . 1 . . . . . . . . 6869 1 741 . 1 1 64 64 ARG N N 15 119.8 0.10 . 1 . . . . . . . . 6869 1 742 . 1 1 64 64 ARG H H 1 7.58 0.02 . 1 . . . . . . . . 6869 1 743 . 1 1 64 64 ARG CA C 13 59.6 0.10 . 1 . . . . . . . . 6869 1 744 . 1 1 64 64 ARG HA H 1 3.92 0.02 . 1 . . . . . . . . 6869 1 745 . 1 1 64 64 ARG CB C 13 30.7 0.10 . 1 . . . . . . . . 6869 1 746 . 1 1 64 64 ARG HB2 H 1 2.25 0.02 . 1 . . . . . . . . 6869 1 747 . 1 1 64 64 ARG HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6869 1 748 . 1 1 64 64 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 6869 1 749 . 1 1 64 64 ARG HG3 H 1 1.66 0.02 . 2 . . . . . . . . 6869 1 750 . 1 1 64 64 ARG HD2 H 1 3.27 0.02 . 2 . . . . . . . . 6869 1 751 . 1 1 64 64 ARG HD3 H 1 3.21 0.02 . 2 . . . . . . . . 6869 1 752 . 1 1 64 64 ARG HE H 1 8.41 0.02 . 1 . . . . . . . . 6869 1 753 . 1 1 65 65 HIS H H 1 6.94 0.02 . 1 . . . . . . . . 6869 1 754 . 1 1 65 65 HIS CA C 13 57.9 0.10 . 1 . . . . . . . . 6869 1 755 . 1 1 65 65 HIS HA H 1 4.45 0.02 . 1 . . . . . . . . 6869 1 756 . 1 1 65 65 HIS CB C 13 29.1 0.10 . 1 . . . . . . . . 6869 1 757 . 1 1 65 65 HIS HB2 H 1 3.16 0.02 . 2 . . . . . . . . 6869 1 758 . 1 1 65 65 HIS HB3 H 1 2.99 0.02 . 2 . . . . . . . . 6869 1 759 . 1 1 65 65 HIS C C 13 175.8 0.10 . 1 . . . . . . . . 6869 1 760 . 1 1 66 66 LEU N N 15 119.6 0.10 . 1 . . . . . . . . 6869 1 761 . 1 1 66 66 LEU H H 1 7.42 0.02 . 1 . . . . . . . . 6869 1 762 . 1 1 66 66 LEU CA C 13 54.0 0.10 . 1 . . . . . . . . 6869 1 763 . 1 1 66 66 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 6869 1 764 . 1 1 66 66 LEU CB C 13 42.9 0.10 . 1 . . . . . . . . 6869 1 765 . 1 1 66 66 LEU HB2 H 1 1.51 0.02 . 1 . . . . . . . . 6869 1 766 . 1 1 66 66 LEU HB3 H 1 1.36 0.02 . 1 . . . . . . . . 6869 1 767 . 1 1 66 66 LEU HG H 1 0.85 0.02 . 1 . . . . . . . . 6869 1 768 . 1 1 66 66 LEU HD11 H 1 0.70 0.02 . 1 . . . . . . . . 6869 1 769 . 1 1 66 66 LEU HD12 H 1 0.70 0.02 . 1 . . . . . . . . 6869 1 770 . 1 1 66 66 LEU HD13 H 1 0.70 0.02 . 1 . . . . . . . . 6869 1 771 . 1 1 66 66 LEU HD21 H 1 0.51 0.02 . 1 . . . . . . . . 6869 1 772 . 1 1 66 66 LEU HD22 H 1 0.51 0.02 . 1 . . . . . . . . 6869 1 773 . 1 1 66 66 LEU HD23 H 1 0.51 0.02 . 1 . . . . . . . . 6869 1 774 . 1 1 66 66 LEU C C 13 175.9 0.10 . 1 . . . . . . . . 6869 1 775 . 1 1 67 67 ASN N N 15 115.9 0.10 . 1 . . . . . . . . 6869 1 776 . 1 1 67 67 ASN H H 1 7.17 0.02 . 1 . . . . . . . . 6869 1 777 . 1 1 67 67 ASN CA C 13 52.1 0.10 . 1 . . . . . . . . 6869 1 778 . 1 1 67 67 ASN HA H 1 4.43 0.02 . 1 . . . . . . . . 6869 1 779 . 1 1 67 67 ASN CB C 13 37.3 0.10 . 1 . . . . . . . . 6869 1 780 . 1 1 67 67 ASN HB2 H 1 3.11 0.02 . 1 . . . . . . . . 6869 1 781 . 1 1 67 67 ASN HB3 H 1 2.13 0.02 . 1 . . . . . . . . 6869 1 782 . 1 1 67 67 ASN ND2 N 15 107.1 0.10 . 1 . . . . . . . . 6869 1 783 . 1 1 67 67 ASN HD21 H 1 7.71 0.02 . 1 . . . . . . . . 6869 1 784 . 1 1 67 67 ASN HD22 H 1 6.23 0.02 . 1 . . . . . . . . 6869 1 785 . 1 1 67 67 ASN C C 13 173.5 0.10 . 1 . . . . . . . . 6869 1 786 . 1 1 68 68 ASN N N 15 119.6 0.10 . 1 . . . . . . . . 6869 1 787 . 1 1 68 68 ASN H H 1 7.26 0.02 . 1 . . . . . . . . 6869 1 788 . 1 1 68 68 ASN CA C 13 51.0 0.10 . 1 . . . . . . . . 6869 1 789 . 1 1 68 68 ASN HA H 1 4.80 0.02 . 1 . . . . . . . . 6869 1 790 . 1 1 68 68 ASN CB C 13 40.7 0.10 . 1 . . . . . . . . 6869 1 791 . 1 1 68 68 ASN HB2 H 1 3.07 0.02 . 1 . . . . . . . . 6869 1 792 . 1 1 68 68 ASN HB3 H 1 2.92 0.02 . 1 . . . . . . . . 6869 1 793 . 1 1 68 68 ASN ND2 N 15 114.8 0.10 . 1 . . . . . . . . 6869 1 794 . 1 1 68 68 ASN HD21 H 1 7.62 0.02 . 1 . . . . . . . . 6869 1 795 . 1 1 68 68 ASN HD22 H 1 6.68 0.02 . 1 . . . . . . . . 6869 1 796 . 1 1 69 69 ARG H H 1 8.91 0.02 . 1 . . . . . . . . 6869 1 797 . 1 1 69 69 ARG CA C 13 59.1 0.10 . 1 . . . . . . . . 6869 1 798 . 1 1 69 69 ARG HA H 1 4.70 0.02 . 1 . . . . . . . . 6869 1 799 . 1 1 69 69 ARG CB C 13 29.6 0.10 . 1 . . . . . . . . 6869 1 800 . 1 1 69 69 ARG HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6869 1 801 . 1 1 69 69 ARG HB3 H 1 1.82 0.02 . 2 . . . . . . . . 6869 1 802 . 1 1 69 69 ARG CG C 13 27.0 0.10 . 1 . . . . . . . . 6869 1 803 . 1 1 69 69 ARG HG2 H 1 1.55 0.02 . 1 . . . . . . . . 6869 1 804 . 1 1 69 69 ARG HG3 H 1 1.55 0.02 . 1 . . . . . . . . 6869 1 805 . 1 1 69 69 ARG CD C 13 42.8 0.10 . 1 . . . . . . . . 6869 1 806 . 1 1 69 69 ARG C C 13 178.0 0.10 . 1 . . . . . . . . 6869 1 807 . 1 1 70 70 GLY N N 15 107.8 0.10 . 1 . . . . . . . . 6869 1 808 . 1 1 70 70 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 6869 1 809 . 1 1 70 70 GLY CA C 13 47.0 0.10 . 1 . . . . . . . . 6869 1 810 . 1 1 70 70 GLY HA2 H 1 3.84 0.02 . 1 . . . . . . . . 6869 1 811 . 1 1 70 70 GLY HA3 H 1 3.84 0.02 . 1 . . . . . . . . 6869 1 812 . 1 1 70 70 GLY C C 13 176.3 0.10 . 1 . . . . . . . . 6869 1 813 . 1 1 71 71 ALA N N 15 124.8 0.10 . 1 . . . . . . . . 6869 1 814 . 1 1 71 71 ALA H H 1 8.13 0.02 . 1 . . . . . . . . 6869 1 815 . 1 1 71 71 ALA CA C 13 54.9 0.10 . 1 . . . . . . . . 6869 1 816 . 1 1 71 71 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 6869 1 817 . 1 1 71 71 ALA HB1 H 1 1.57 0.02 . 1 . . . . . . . . 6869 1 818 . 1 1 71 71 ALA HB2 H 1 1.57 0.02 . 1 . . . . . . . . 6869 1 819 . 1 1 71 71 ALA HB3 H 1 1.57 0.02 . 1 . . . . . . . . 6869 1 820 . 1 1 71 71 ALA CB C 13 18.6 0.10 . 1 . . . . . . . . 6869 1 821 . 1 1 71 71 ALA C C 13 178.3 0.10 . 1 . . . . . . . . 6869 1 822 . 1 1 72 72 GLN N N 15 116.5 0.10 . 1 . . . . . . . . 6869 1 823 . 1 1 72 72 GLN H H 1 7.93 0.02 . 1 . . . . . . . . 6869 1 824 . 1 1 72 72 GLN CA C 13 59.8 0.10 . 1 . . . . . . . . 6869 1 825 . 1 1 72 72 GLN HA H 1 3.68 0.02 . 1 . . . . . . . . 6869 1 826 . 1 1 72 72 GLN CB C 13 27.6 0.10 . 1 . . . . . . . . 6869 1 827 . 1 1 72 72 GLN HB2 H 1 2.28 0.02 . 1 . . . . . . . . 6869 1 828 . 1 1 72 72 GLN HB3 H 1 2.15 0.02 . 1 . . . . . . . . 6869 1 829 . 1 1 72 72 GLN CG C 13 33.1 0.10 . 1 . . . . . . . . 6869 1 830 . 1 1 72 72 GLN HG2 H 1 2.51 0.02 . 1 . . . . . . . . 6869 1 831 . 1 1 72 72 GLN HG3 H 1 2.20 0.02 . 1 . . . . . . . . 6869 1 832 . 1 1 72 72 GLN NE2 N 15 110.4 0.10 . 1 . . . . . . . . 6869 1 833 . 1 1 72 72 GLN HE21 H 1 7.64 0.02 . 1 . . . . . . . . 6869 1 834 . 1 1 72 72 GLN HE22 H 1 6.70 0.02 . 1 . . . . . . . . 6869 1 835 . 1 1 72 72 GLN C C 13 177.7 0.10 . 1 . . . . . . . . 6869 1 836 . 1 1 73 73 GLN N N 15 117.8 0.10 . 1 . . . . . . . . 6869 1 837 . 1 1 73 73 GLN H H 1 8.48 0.02 . 1 . . . . . . . . 6869 1 838 . 1 1 73 73 GLN CA C 13 59.0 0.10 . 1 . . . . . . . . 6869 1 839 . 1 1 73 73 GLN HA H 1 4.06 0.02 . 1 . . . . . . . . 6869 1 840 . 1 1 73 73 GLN CB C 13 28.3 0.10 . 1 . . . . . . . . 6869 1 841 . 1 1 73 73 GLN HB2 H 1 2.24 0.02 . 2 . . . . . . . . 6869 1 842 . 1 1 73 73 GLN HB3 H 1 2.14 0.02 . 2 . . . . . . . . 6869 1 843 . 1 1 73 73 GLN CG C 13 33.7 0.10 . 1 . . . . . . . . 6869 1 844 . 1 1 73 73 GLN HG2 H 1 2.55 0.02 . 2 . . . . . . . . 6869 1 845 . 1 1 73 73 GLN HG3 H 1 2.40 0.02 . 2 . . . . . . . . 6869 1 846 . 1 1 73 73 GLN NE2 N 15 111.7 0.10 . 1 . . . . . . . . 6869 1 847 . 1 1 73 73 GLN HE21 H 1 7.61 0.02 . 1 . . . . . . . . 6869 1 848 . 1 1 73 73 GLN HE22 H 1 6.79 0.02 . 1 . . . . . . . . 6869 1 849 . 1 1 73 73 GLN C C 13 178.5 0.10 . 1 . . . . . . . . 6869 1 850 . 1 1 74 74 LYS N N 15 118.9 0.10 . 1 . . . . . . . . 6869 1 851 . 1 1 74 74 LYS H H 1 8.04 0.02 . 1 . . . . . . . . 6869 1 852 . 1 1 74 74 LYS CA C 13 58.1 0.10 . 1 . . . . . . . . 6869 1 853 . 1 1 74 74 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 6869 1 854 . 1 1 74 74 LYS CB C 13 31.9 0.10 . 1 . . . . . . . . 6869 1 855 . 1 1 74 74 LYS HB2 H 1 2.08 0.02 . 1 . . . . . . . . 6869 1 856 . 1 1 74 74 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6869 1 857 . 1 1 74 74 LYS CG C 13 25.0 0.10 . 1 . . . . . . . . 6869 1 858 . 1 1 74 74 LYS HG2 H 1 1.57 0.02 . 2 . . . . . . . . 6869 1 859 . 1 1 74 74 LYS HG3 H 1 1.51 0.02 . 2 . . . . . . . . 6869 1 860 . 1 1 74 74 LYS CD C 13 27.9 0.10 . 1 . . . . . . . . 6869 1 861 . 1 1 74 74 LYS HD2 H 1 1.71 0.02 . 2 . . . . . . . . 6869 1 862 . 1 1 74 74 LYS HD3 H 1 1.67 0.02 . 2 . . . . . . . . 6869 1 863 . 1 1 74 74 LYS CE C 13 41.8 0.10 . 1 . . . . . . . . 6869 1 864 . 1 1 74 74 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 6869 1 865 . 1 1 74 74 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 6869 1 866 . 1 1 74 74 LYS C C 13 179.4 0.10 . 1 . . . . . . . . 6869 1 867 . 1 1 75 75 LEU N N 15 120.0 0.10 . 1 . . . . . . . . 6869 1 868 . 1 1 75 75 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 6869 1 869 . 1 1 75 75 LEU CA C 13 58.6 0.10 . 1 . . . . . . . . 6869 1 870 . 1 1 75 75 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 6869 1 871 . 1 1 75 75 LEU CB C 13 42.4 0.10 . 1 . . . . . . . . 6869 1 872 . 1 1 75 75 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6869 1 873 . 1 1 75 75 LEU HB3 H 1 1.27 0.02 . 2 . . . . . . . . 6869 1 874 . 1 1 75 75 LEU CG C 13 27.8 0.10 . 1 . . . . . . . . 6869 1 875 . 1 1 75 75 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 6869 1 876 . 1 1 75 75 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 877 . 1 1 75 75 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 878 . 1 1 75 75 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 879 . 1 1 75 75 LEU HD21 H 1 0.80 0.02 . 1 . . . . . . . . 6869 1 880 . 1 1 75 75 LEU HD22 H 1 0.80 0.02 . 1 . . . . . . . . 6869 1 881 . 1 1 75 75 LEU HD23 H 1 0.80 0.02 . 1 . . . . . . . . 6869 1 882 . 1 1 75 75 LEU CD1 C 13 24.8 0.10 . 1 . . . . . . . . 6869 1 883 . 1 1 75 75 LEU CD2 C 13 24.9 0.10 . 1 . . . . . . . . 6869 1 884 . 1 1 75 75 LEU C C 13 177.6 0.10 . 1 . . . . . . . . 6869 1 885 . 1 1 76 76 ALA N N 15 122.0 0.10 . 1 . . . . . . . . 6869 1 886 . 1 1 76 76 ALA H H 1 8.52 0.02 . 1 . . . . . . . . 6869 1 887 . 1 1 76 76 ALA CA C 13 56.1 0.10 . 1 . . . . . . . . 6869 1 888 . 1 1 76 76 ALA HA H 1 3.85 0.02 . 1 . . . . . . . . 6869 1 889 . 1 1 76 76 ALA HB1 H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 890 . 1 1 76 76 ALA HB2 H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 891 . 1 1 76 76 ALA HB3 H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 892 . 1 1 76 76 ALA CB C 13 18.2 0.10 . 1 . . . . . . . . 6869 1 893 . 1 1 76 76 ALA C C 13 180.7 0.10 . 1 . . . . . . . . 6869 1 894 . 1 1 77 77 GLU N N 15 120.7 0.10 . 1 . . . . . . . . 6869 1 895 . 1 1 77 77 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 6869 1 896 . 1 1 77 77 GLU CA C 13 59.5 0.10 . 1 . . . . . . . . 6869 1 897 . 1 1 77 77 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 6869 1 898 . 1 1 77 77 GLU CB C 13 30.0 0.10 . 1 . . . . . . . . 6869 1 899 . 1 1 77 77 GLU HB2 H 1 2.24 0.02 . 1 . . . . . . . . 6869 1 900 . 1 1 77 77 GLU HB3 H 1 2.17 0.02 . 1 . . . . . . . . 6869 1 901 . 1 1 77 77 GLU CG C 13 32.6 0.10 . 1 . . . . . . . . 6869 1 902 . 1 1 77 77 GLU HG2 H 1 2.48 0.02 . 1 . . . . . . . . 6869 1 903 . 1 1 77 77 GLU HG3 H 1 2.48 0.02 . 1 . . . . . . . . 6869 1 904 . 1 1 77 77 GLU C C 13 178.8 0.10 . 1 . . . . . . . . 6869 1 905 . 1 1 78 78 ALA N N 15 122.6 0.10 . 1 . . . . . . . . 6869 1 906 . 1 1 78 78 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 6869 1 907 . 1 1 78 78 ALA CA C 13 55.2 0.10 . 1 . . . . . . . . 6869 1 908 . 1 1 78 78 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 6869 1 909 . 1 1 78 78 ALA HB1 H 1 1.63 0.02 . 1 . . . . . . . . 6869 1 910 . 1 1 78 78 ALA HB2 H 1 1.63 0.02 . 1 . . . . . . . . 6869 1 911 . 1 1 78 78 ALA HB3 H 1 1.63 0.02 . 1 . . . . . . . . 6869 1 912 . 1 1 78 78 ALA CB C 13 19.4 0.10 . 1 . . . . . . . . 6869 1 913 . 1 1 78 78 ALA C C 13 180.6 0.10 . 1 . . . . . . . . 6869 1 914 . 1 1 79 79 LEU N N 15 118.3 0.10 . 1 . . . . . . . . 6869 1 915 . 1 1 79 79 LEU H H 1 8.79 0.02 . 1 . . . . . . . . 6869 1 916 . 1 1 79 79 LEU CA C 13 57.9 0.10 . 1 . . . . . . . . 6869 1 917 . 1 1 79 79 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 6869 1 918 . 1 1 79 79 LEU CB C 13 41.9 0.10 . 1 . . . . . . . . 6869 1 919 . 1 1 79 79 LEU HB2 H 1 1.94 0.02 . 1 . . . . . . . . 6869 1 920 . 1 1 79 79 LEU HB3 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 921 . 1 1 79 79 LEU CG C 13 27.6 0.10 . 1 . . . . . . . . 6869 1 922 . 1 1 79 79 LEU HG H 1 1.08 0.02 . 1 . . . . . . . . 6869 1 923 . 1 1 79 79 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 6869 1 924 . 1 1 79 79 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 6869 1 925 . 1 1 79 79 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 6869 1 926 . 1 1 79 79 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 927 . 1 1 79 79 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 928 . 1 1 79 79 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 929 . 1 1 79 79 LEU CD1 C 13 25.8 0.10 . 1 . . . . . . . . 6869 1 930 . 1 1 79 79 LEU CD2 C 13 23.4 0.10 . 1 . . . . . . . . 6869 1 931 . 1 1 79 79 LEU C C 13 179.3 0.10 . 1 . . . . . . . . 6869 1 932 . 1 1 80 80 SER N N 15 117.4 0.10 . 1 . . . . . . . . 6869 1 933 . 1 1 80 80 SER H H 1 8.35 0.02 . 1 . . . . . . . . 6869 1 934 . 1 1 80 80 SER CA C 13 61.8 0.10 . 1 . . . . . . . . 6869 1 935 . 1 1 80 80 SER HA H 1 4.76 0.02 . 1 . . . . . . . . 6869 1 936 . 1 1 80 80 SER CB C 13 63.1 0.10 . 1 . . . . . . . . 6869 1 937 . 1 1 80 80 SER HB2 H 1 4.21 0.02 . 1 . . . . . . . . 6869 1 938 . 1 1 80 80 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 6869 1 939 . 1 1 80 80 SER HG H 1 5.06 0.02 . 1 . . . . . . . . 6869 1 940 . 1 1 80 80 SER C C 13 176.6 0.10 . 1 . . . . . . . . 6869 1 941 . 1 1 81 81 MET N N 15 122.8 0.10 . 1 . . . . . . . . 6869 1 942 . 1 1 81 81 MET H H 1 8.09 0.02 . 1 . . . . . . . . 6869 1 943 . 1 1 81 81 MET CA C 13 58.2 0.10 . 1 . . . . . . . . 6869 1 944 . 1 1 81 81 MET HA H 1 4.14 0.02 . 1 . . . . . . . . 6869 1 945 . 1 1 81 81 MET CB C 13 32.0 0.10 . 1 . . . . . . . . 6869 1 946 . 1 1 81 81 MET HB2 H 1 2.22 0.02 . 1 . . . . . . . . 6869 1 947 . 1 1 81 81 MET HB3 H 1 2.22 0.02 . 1 . . . . . . . . 6869 1 948 . 1 1 81 81 MET CG C 13 31.8 0.10 . 1 . . . . . . . . 6869 1 949 . 1 1 81 81 MET HG2 H 1 2.72 0.02 . 2 . . . . . . . . 6869 1 950 . 1 1 81 81 MET HG3 H 1 2.58 0.02 . 2 . . . . . . . . 6869 1 951 . 1 1 81 81 MET C C 13 178.1 0.10 . 1 . . . . . . . . 6869 1 952 . 1 1 82 82 LEU N N 15 119.8 0.10 . 1 . . . . . . . . 6869 1 953 . 1 1 82 82 LEU H H 1 7.64 0.02 . 1 . . . . . . . . 6869 1 954 . 1 1 82 82 LEU CA C 13 57.8 0.10 . 1 . . . . . . . . 6869 1 955 . 1 1 82 82 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 6869 1 956 . 1 1 82 82 LEU CB C 13 42.5 0.10 . 1 . . . . . . . . 6869 1 957 . 1 1 82 82 LEU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 6869 1 958 . 1 1 82 82 LEU HB3 H 1 1.84 0.02 . 1 . . . . . . . . 6869 1 959 . 1 1 82 82 LEU CG C 13 26.7 0.10 . 1 . . . . . . . . 6869 1 960 . 1 1 82 82 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 6869 1 961 . 1 1 82 82 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 6869 1 962 . 1 1 82 82 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 6869 1 963 . 1 1 82 82 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 6869 1 964 . 1 1 82 82 LEU HD21 H 1 0.75 0.02 . 1 . . . . . . . . 6869 1 965 . 1 1 82 82 LEU HD22 H 1 0.75 0.02 . 1 . . . . . . . . 6869 1 966 . 1 1 82 82 LEU HD23 H 1 0.75 0.02 . 1 . . . . . . . . 6869 1 967 . 1 1 82 82 LEU CD1 C 13 25.1 0.10 . 1 . . . . . . . . 6869 1 968 . 1 1 82 82 LEU CD2 C 13 23.9 0.10 . 1 . . . . . . . . 6869 1 969 . 1 1 82 82 LEU C C 13 178.5 0.10 . 1 . . . . . . . . 6869 1 970 . 1 1 83 83 LYS N N 15 116.5 0.10 . 1 . . . . . . . . 6869 1 971 . 1 1 83 83 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 6869 1 972 . 1 1 83 83 LYS CA C 13 57.6 0.10 . 1 . . . . . . . . 6869 1 973 . 1 1 83 83 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 6869 1 974 . 1 1 83 83 LYS CB C 13 33.1 0.10 . 1 . . . . . . . . 6869 1 975 . 1 1 83 83 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6869 1 976 . 1 1 83 83 LYS HB3 H 1 1.99 0.02 . 2 . . . . . . . . 6869 1 977 . 1 1 83 83 LYS CG C 13 24.8 0.10 . 1 . . . . . . . . 6869 1 978 . 1 1 83 83 LYS HG2 H 1 1.66 0.02 . 1 . . . . . . . . 6869 1 979 . 1 1 83 83 LYS HG3 H 1 1.66 0.02 . 1 . . . . . . . . 6869 1 980 . 1 1 83 83 LYS CD C 13 28.7 0.10 . 1 . . . . . . . . 6869 1 981 . 1 1 83 83 LYS HD2 H 1 1.84 0.02 . 1 . . . . . . . . 6869 1 982 . 1 1 83 83 LYS HD3 H 1 1.84 0.02 . 1 . . . . . . . . 6869 1 983 . 1 1 83 83 LYS CE C 13 41.5 0.10 . 1 . . . . . . . . 6869 1 984 . 1 1 83 83 LYS HE2 H 1 3.20 0.02 . 1 . . . . . . . . 6869 1 985 . 1 1 83 83 LYS HE3 H 1 3.20 0.02 . 1 . . . . . . . . 6869 1 986 . 1 1 83 83 LYS C C 13 177.6 0.10 . 1 . . . . . . . . 6869 1 987 . 1 1 84 84 GLY N N 15 106.5 0.10 . 1 . . . . . . . . 6869 1 988 . 1 1 84 84 GLY H H 1 8.13 0.02 . 1 . . . . . . . . 6869 1 989 . 1 1 84 84 GLY CA C 13 45.3 0.10 . 1 . . . . . . . . 6869 1 990 . 1 1 84 84 GLY HA2 H 1 3.74 0.02 . 1 . . . . . . . . 6869 1 991 . 1 1 84 84 GLY HA3 H 1 4.20 0.02 . 1 . . . . . . . . 6869 1 992 . 1 1 84 84 GLY C C 13 173.2 0.10 . 1 . . . . . . . . 6869 1 993 . 1 1 85 85 SER N N 15 113.0 0.10 . 1 . . . . . . . . 6869 1 994 . 1 1 85 85 SER H H 1 7.67 0.02 . 1 . . . . . . . . 6869 1 995 . 1 1 85 85 SER CA C 13 56.9 0.10 . 1 . . . . . . . . 6869 1 996 . 1 1 85 85 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 6869 1 997 . 1 1 85 85 SER CB C 13 64.7 0.10 . 1 . . . . . . . . 6869 1 998 . 1 1 85 85 SER HB2 H 1 3.73 0.02 . 1 . . . . . . . . 6869 1 999 . 1 1 85 85 SER HB3 H 1 3.73 0.02 . 1 . . . . . . . . 6869 1 1000 . 1 1 85 85 SER C C 13 172.1 0.10 . 1 . . . . . . . . 6869 1 1001 . 1 1 86 86 THR N N 15 115.4 0.10 . 1 . . . . . . . . 6869 1 1002 . 1 1 86 86 THR H H 1 8.11 0.02 . 1 . . . . . . . . 6869 1 1003 . 1 1 86 86 THR CA C 13 64.4 0.10 . 1 . . . . . . . . 6869 1 1004 . 1 1 86 86 THR HA H 1 3.93 0.02 . 1 . . . . . . . . 6869 1 1005 . 1 1 86 86 THR CB C 13 69.1 0.10 . 1 . . . . . . . . 6869 1 1006 . 1 1 86 86 THR HB H 1 3.96 0.02 . 1 . . . . . . . . 6869 1 1007 . 1 1 86 86 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 6869 1 1008 . 1 1 86 86 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 6869 1 1009 . 1 1 86 86 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 6869 1 1010 . 1 1 86 86 THR CG2 C 13 22.0 0.10 . 1 . . . . . . . . 6869 1 1011 . 1 1 86 86 THR C C 13 174.6 0.10 . 1 . . . . . . . . 6869 1 1012 . 1 1 87 87 VAL N N 15 127.2 0.10 . 1 . . . . . . . . 6869 1 1013 . 1 1 87 87 VAL H H 1 8.47 0.02 . 1 . . . . . . . . 6869 1 1014 . 1 1 87 87 VAL CA C 13 60.5 0.10 . 1 . . . . . . . . 6869 1 1015 . 1 1 87 87 VAL HA H 1 4.40 0.02 . 1 . . . . . . . . 6869 1 1016 . 1 1 87 87 VAL CB C 13 34.2 0.10 . 1 . . . . . . . . 6869 1 1017 . 1 1 87 87 VAL HB H 1 1.88 0.02 . 1 . . . . . . . . 6869 1 1018 . 1 1 87 87 VAL HG11 H 1 0.76 0.02 . 1 . . . . . . . . 6869 1 1019 . 1 1 87 87 VAL HG12 H 1 0.76 0.02 . 1 . . . . . . . . 6869 1 1020 . 1 1 87 87 VAL HG13 H 1 0.76 0.02 . 1 . . . . . . . . 6869 1 1021 . 1 1 87 87 VAL HG21 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1022 . 1 1 87 87 VAL HG22 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1023 . 1 1 87 87 VAL HG23 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1024 . 1 1 87 87 VAL CG1 C 13 21.5 0.10 . 1 . . . . . . . . 6869 1 1025 . 1 1 87 87 VAL CG2 C 13 21.1 0.10 . 1 . . . . . . . . 6869 1 1026 . 1 1 87 87 VAL C C 13 174.6 0.10 . 1 . . . . . . . . 6869 1 1027 . 1 1 88 88 GLU N N 15 125.9 0.10 . 1 . . . . . . . . 6869 1 1028 . 1 1 88 88 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 6869 1 1029 . 1 1 88 88 GLU CA C 13 55.1 0.10 . 1 . . . . . . . . 6869 1 1030 . 1 1 88 88 GLU HA H 1 4.42 0.02 . 1 . . . . . . . . 6869 1 1031 . 1 1 88 88 GLU CB C 13 30.2 0.10 . 1 . . . . . . . . 6869 1 1032 . 1 1 88 88 GLU HB2 H 1 1.84 0.02 . 1 . . . . . . . . 6869 1 1033 . 1 1 88 88 GLU HB3 H 1 1.94 0.02 . 1 . . . . . . . . 6869 1 1034 . 1 1 88 88 GLU CG C 13 35.6 0.10 . 1 . . . . . . . . 6869 1 1035 . 1 1 88 88 GLU HG2 H 1 2.17 0.02 . 2 . . . . . . . . 6869 1 1036 . 1 1 88 88 GLU HG3 H 1 2.10 0.02 . 2 . . . . . . . . 6869 1 1037 . 1 1 88 88 GLU C C 13 174.4 0.10 . 1 . . . . . . . . 6869 1 1038 . 1 1 89 89 LEU N N 15 129.2 0.10 . 1 . . . . . . . . 6869 1 1039 . 1 1 89 89 LEU H H 1 8.64 0.02 . 1 . . . . . . . . 6869 1 1040 . 1 1 89 89 LEU CA C 13 53.7 0.10 . 1 . . . . . . . . 6869 1 1041 . 1 1 89 89 LEU HA H 1 5.46 0.02 . 1 . . . . . . . . 6869 1 1042 . 1 1 89 89 LEU CB C 13 45.9 0.10 . 1 . . . . . . . . 6869 1 1043 . 1 1 89 89 LEU HB2 H 1 1.07 0.02 . 1 . . . . . . . . 6869 1 1044 . 1 1 89 89 LEU HB3 H 1 1.81 0.02 . 1 . . . . . . . . 6869 1 1045 . 1 1 89 89 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 6869 1 1046 . 1 1 89 89 LEU HD11 H 1 0.69 0.02 . 1 . . . . . . . . 6869 1 1047 . 1 1 89 89 LEU HD12 H 1 0.69 0.02 . 1 . . . . . . . . 6869 1 1048 . 1 1 89 89 LEU HD13 H 1 0.69 0.02 . 1 . . . . . . . . 6869 1 1049 . 1 1 89 89 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1050 . 1 1 89 89 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1051 . 1 1 89 89 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1052 . 1 1 89 89 LEU CD1 C 13 25.2 0.10 . 1 . . . . . . . . 6869 1 1053 . 1 1 89 89 LEU CD2 C 13 27.1 0.10 . 1 . . . . . . . . 6869 1 1054 . 1 1 89 89 LEU C C 13 175.7 0.10 . 1 . . . . . . . . 6869 1 1055 . 1 1 90 90 THR N N 15 120.0 0.10 . 1 . . . . . . . . 6869 1 1056 . 1 1 90 90 THR H H 1 8.69 0.02 . 1 . . . . . . . . 6869 1 1057 . 1 1 90 90 THR CA C 13 60.4 0.10 . 1 . . . . . . . . 6869 1 1058 . 1 1 90 90 THR HA H 1 4.50 0.02 . 1 . . . . . . . . 6869 1 1059 . 1 1 90 90 THR CB C 13 72.1 0.10 . 1 . . . . . . . . 6869 1 1060 . 1 1 90 90 THR HB H 1 3.88 0.02 . 1 . . . . . . . . 6869 1 1061 . 1 1 90 90 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . 6869 1 1062 . 1 1 90 90 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . 6869 1 1063 . 1 1 90 90 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . 6869 1 1064 . 1 1 90 90 THR CG2 C 13 21.8 0.10 . 1 . . . . . . . . 6869 1 1065 . 1 1 90 90 THR C C 13 172.2 0.10 . 1 . . . . . . . . 6869 1 1066 . 1 1 91 91 ILE N N 15 122.4 0.10 . 1 . . . . . . . . 6869 1 1067 . 1 1 91 91 ILE H H 1 8.51 0.02 . 1 . . . . . . . . 6869 1 1068 . 1 1 91 91 ILE CA C 13 60.5 0.10 . 1 . . . . . . . . 6869 1 1069 . 1 1 91 91 ILE HA H 1 4.81 0.02 . 1 . . . . . . . . 6869 1 1070 . 1 1 91 91 ILE CB C 13 39.5 0.10 . 1 . . . . . . . . 6869 1 1071 . 1 1 91 91 ILE HB H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 1072 . 1 1 91 91 ILE HG21 H 1 0.53 0.02 . 1 . . . . . . . . 6869 1 1073 . 1 1 91 91 ILE HG22 H 1 0.53 0.02 . 1 . . . . . . . . 6869 1 1074 . 1 1 91 91 ILE HG23 H 1 0.53 0.02 . 1 . . . . . . . . 6869 1 1075 . 1 1 91 91 ILE CG2 C 13 17.9 0.10 . 1 . . . . . . . . 6869 1 1076 . 1 1 91 91 ILE HG12 H 1 1.38 0.02 . 1 . . . . . . . . 6869 1 1077 . 1 1 91 91 ILE HG13 H 1 1.38 0.02 . 1 . . . . . . . . 6869 1 1078 . 1 1 91 91 ILE HD11 H 1 0.68 0.02 . 1 . . . . . . . . 6869 1 1079 . 1 1 91 91 ILE HD12 H 1 0.68 0.02 . 1 . . . . . . . . 6869 1 1080 . 1 1 91 91 ILE HD13 H 1 0.68 0.02 . 1 . . . . . . . . 6869 1 1081 . 1 1 91 91 ILE CD1 C 13 12.8 0.10 . 1 . . . . . . . . 6869 1 1082 . 1 1 91 91 ILE C C 13 175.1 0.10 . 1 . . . . . . . . 6869 1 1083 . 1 1 92 92 VAL N N 15 123.7 0.10 . 1 . . . . . . . . 6869 1 1084 . 1 1 92 92 VAL H H 1 8.78 0.02 . 1 . . . . . . . . 6869 1 1085 . 1 1 92 92 VAL CA C 13 58.2 0.10 . 1 . . . . . . . . 6869 1 1086 . 1 1 92 92 VAL HA H 1 4.43 0.02 . 1 . . . . . . . . 6869 1 1087 . 1 1 92 92 VAL CB C 13 34.5 0.10 . 1 . . . . . . . . 6869 1 1088 . 1 1 92 92 VAL HB H 1 1.69 0.02 . 1 . . . . . . . . 6869 1 1089 . 1 1 92 92 VAL HG11 H 1 0.46 0.02 . 1 . . . . . . . . 6869 1 1090 . 1 1 92 92 VAL HG12 H 1 0.46 0.02 . 1 . . . . . . . . 6869 1 1091 . 1 1 92 92 VAL HG13 H 1 0.46 0.02 . 1 . . . . . . . . 6869 1 1092 . 1 1 92 92 VAL HG21 H 1 0.21 0.02 . 1 . . . . . . . . 6869 1 1093 . 1 1 92 92 VAL HG22 H 1 0.21 0.02 . 1 . . . . . . . . 6869 1 1094 . 1 1 92 92 VAL HG23 H 1 0.21 0.02 . 1 . . . . . . . . 6869 1 1095 . 1 1 92 92 VAL CG1 C 13 20.5 0.10 . 1 . . . . . . . . 6869 1 1096 . 1 1 92 92 VAL CG2 C 13 18.6 0.10 . 1 . . . . . . . . 6869 1 1097 . 1 1 92 92 VAL C C 13 173.3 0.10 . 1 . . . . . . . . 6869 1 1098 . 1 1 93 93 GLU N N 15 124.8 0.10 . 1 . . . . . . . . 6869 1 1099 . 1 1 93 93 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 6869 1 1100 . 1 1 93 93 GLU CA C 13 56.1 0.10 . 1 . . . . . . . . 6869 1 1101 . 1 1 93 93 GLU HA H 1 4.83 0.02 . 1 . . . . . . . . 6869 1 1102 . 1 1 93 93 GLU CB C 13 30.4 0.10 . 1 . . . . . . . . 6869 1 1103 . 1 1 93 93 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 6869 1 1104 . 1 1 93 93 GLU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 6869 1 1105 . 1 1 93 93 GLU CG C 13 37.2 0.10 . 1 . . . . . . . . 6869 1 1106 . 1 1 93 93 GLU HG2 H 1 2.03 0.02 . 2 . . . . . . . . 6869 1 1107 . 1 1 93 93 GLU HG3 H 1 1.94 0.02 . 2 . . . . . . . . 6869 1 1108 . 1 1 93 93 GLU C C 13 176.7 0.10 . 1 . . . . . . . . 6869 1 1109 . 1 1 94 94 ASP N N 15 125.9 0.10 . 1 . . . . . . . . 6869 1 1110 . 1 1 94 94 ASP H H 1 8.91 0.02 . 1 . . . . . . . . 6869 1 1111 . 1 1 94 94 ASP CA C 13 54.4 0.10 . 1 . . . . . . . . 6869 1 1112 . 1 1 94 94 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 6869 1 1113 . 1 1 94 94 ASP CB C 13 43.0 0.10 . 1 . . . . . . . . 6869 1 1114 . 1 1 94 94 ASP HB2 H 1 2.56 0.02 . 2 . . . . . . . . 6869 1 1115 . 1 1 94 94 ASP HB3 H 1 2.49 0.02 . 2 . . . . . . . . 6869 1 1116 . 1 1 94 94 ASP C C 13 174.4 0.10 . 1 . . . . . . . . 6869 1 1117 . 1 1 95 95 ASP N N 15 125.9 0.10 . 1 . . . . . . . . 6869 1 1118 . 1 1 95 95 ASP H H 1 8.92 0.02 . 1 . . . . . . . . 6869 1 1119 . 1 1 95 95 ASP CA C 13 53.0 0.10 . 1 . . . . . . . . 6869 1 1120 . 1 1 95 95 ASP HA H 1 5.26 0.02 . 1 . . . . . . . . 6869 1 1121 . 1 1 95 95 ASP CB C 13 40.4 0.10 . 1 . . . . . . . . 6869 1 1122 . 1 1 95 95 ASP HB2 H 1 3.09 0.02 . 2 . . . . . . . . 6869 1 1123 . 1 1 95 95 ASP HB3 H 1 2.48 0.02 . 2 . . . . . . . . 6869 1 1124 . 1 1 95 95 ASP C C 13 176.5 0.10 . 1 . . . . . . . . 6869 1 1125 . 1 1 96 96 ASN N N 15 122.0 0.10 . 1 . . . . . . . . 6869 1 1126 . 1 1 96 96 ASN H H 1 8.63 0.02 . 1 . . . . . . . . 6869 1 1127 . 1 1 96 96 ASN CA C 13 51.7 0.10 . 1 . . . . . . . . 6869 1 1128 . 1 1 96 96 ASN HA H 1 4.76 0.02 . 1 . . . . . . . . 6869 1 1129 . 1 1 96 96 ASN CB C 13 39.1 0.10 . 1 . . . . . . . . 6869 1 1130 . 1 1 96 96 ASN HB2 H 1 3.36 0.02 . 2 . . . . . . . . 6869 1 1131 . 1 1 96 96 ASN HB3 H 1 3.20 0.02 . 2 . . . . . . . . 6869 1 1132 . 1 1 96 96 ASN ND2 N 15 111.3 0.10 . 1 . . . . . . . . 6869 1 1133 . 1 1 96 96 ASN HD21 H 1 8.04 0.02 . 2 . . . . . . . . 6869 1 1134 . 1 1 96 96 ASN HD22 H 1 6.99 0.02 . 2 . . . . . . . . 6869 1 1135 . 1 1 97 97 PRO CD C 13 50.7 0.10 . 1 . . . . . . . . 6869 1 1136 . 1 1 97 97 PRO CA C 13 63.5 0.10 . 1 . . . . . . . . 6869 1 1137 . 1 1 97 97 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 6869 1 1138 . 1 1 97 97 PRO CB C 13 31.9 0.10 . 1 . . . . . . . . 6869 1 1139 . 1 1 97 97 PRO HB2 H 1 2.17 0.02 . 2 . . . . . . . . 6869 1 1140 . 1 1 97 97 PRO HB3 H 1 2.10 0.02 . 2 . . . . . . . . 6869 1 1141 . 1 1 97 97 PRO CG C 13 25.9 0.10 . 1 . . . . . . . . 6869 1 1142 . 1 1 97 97 PRO HG2 H 1 1.79 0.02 . 1 . . . . . . . . 6869 1 1143 . 1 1 97 97 PRO HG3 H 1 1.79 0.02 . 1 . . . . . . . . 6869 1 1144 . 1 1 97 97 PRO HD2 H 1 3.87 0.02 . 1 . . . . . . . . 6869 1 1145 . 1 1 97 97 PRO HD3 H 1 3.87 0.02 . 1 . . . . . . . . 6869 1 1146 . 1 1 97 97 PRO C C 13 176.6 0.10 . 1 . . . . . . . . 6869 1 1147 . 1 1 98 98 ALA N N 15 122.6 0.10 . 1 . . . . . . . . 6869 1 1148 . 1 1 98 98 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 6869 1 1149 . 1 1 98 98 ALA CA C 13 54.4 0.10 . 1 . . . . . . . . 6869 1 1150 . 1 1 98 98 ALA HA H 1 3.81 0.02 . 1 . . . . . . . . 6869 1 1151 . 1 1 98 98 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 6869 1 1152 . 1 1 98 98 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 6869 1 1153 . 1 1 98 98 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 6869 1 1154 . 1 1 98 98 ALA CB C 13 18.8 0.10 . 1 . . . . . . . . 6869 1 1155 . 1 1 98 98 ALA C C 13 176.3 0.10 . 1 . . . . . . . . 6869 1 1156 . 1 1 99 99 VAL N N 15 116.3 0.10 . 1 . . . . . . . . 6869 1 1157 . 1 1 99 99 VAL H H 1 6.53 0.02 . 1 . . . . . . . . 6869 1 1158 . 1 1 99 99 VAL CA C 13 60.2 0.10 . 1 . . . . . . . . 6869 1 1159 . 1 1 99 99 VAL HA H 1 3.64 0.02 . 1 . . . . . . . . 6869 1 1160 . 1 1 99 99 VAL CB C 13 32.5 0.10 . 1 . . . . . . . . 6869 1 1161 . 1 1 99 99 VAL HB H 1 -0.34 0.02 . 1 . . . . . . . . 6869 1 1162 . 1 1 99 99 VAL HG11 H 1 0.19 0.02 . 1 . . . . . . . . 6869 1 1163 . 1 1 99 99 VAL HG12 H 1 0.19 0.02 . 1 . . . . . . . . 6869 1 1164 . 1 1 99 99 VAL HG13 H 1 0.19 0.02 . 1 . . . . . . . . 6869 1 1165 . 1 1 99 99 VAL HG21 H 1 -0.33 0.02 . 1 . . . . . . . . 6869 1 1166 . 1 1 99 99 VAL HG22 H 1 -0.33 0.02 . 1 . . . . . . . . 6869 1 1167 . 1 1 99 99 VAL HG23 H 1 -0.33 0.02 . 1 . . . . . . . . 6869 1 1168 . 1 1 99 99 VAL CG1 C 13 21.6 0.10 . 1 . . . . . . . . 6869 1 1169 . 1 1 99 99 VAL CG2 C 13 19.3 0.10 . 1 . . . . . . . . 6869 1 1170 . 1 1 99 99 VAL C C 13 173.6 0.10 . 1 . . . . . . . . 6869 1 1171 . 1 1 100 100 ARG N N 15 121.5 0.10 . 1 . . . . . . . . 6869 1 1172 . 1 1 100 100 ARG H H 1 7.85 0.02 . 1 . . . . . . . . 6869 1 1173 . 1 1 100 100 ARG CA C 13 55.3 0.10 . 1 . . . . . . . . 6869 1 1174 . 1 1 100 100 ARG HA H 1 4.60 0.02 . 1 . . . . . . . . 6869 1 1175 . 1 1 100 100 ARG CB C 13 30.7 0.10 . 1 . . . . . . . . 6869 1 1176 . 1 1 100 100 ARG HB2 H 1 0.81 0.02 . 1 . . . . . . . . 6869 1 1177 . 1 1 100 100 ARG HB3 H 1 1.16 0.02 . 1 . . . . . . . . 6869 1 1178 . 1 1 100 100 ARG CG C 13 27.1 0.10 . 1 . . . . . . . . 6869 1 1179 . 1 1 100 100 ARG HG2 H 1 1.17 0.02 . 1 . . . . . . . . 6869 1 1180 . 1 1 100 100 ARG HG3 H 1 1.17 0.02 . 1 . . . . . . . . 6869 1 1181 . 1 1 100 100 ARG CD C 13 42.4 0.10 . 1 . . . . . . . . 6869 1 1182 . 1 1 100 100 ARG C C 13 178.0 0.10 . 1 . . . . . . . . 6869 1 1183 . 1 1 101 101 THR N N 15 115.0 0.10 . 1 . . . . . . . . 6869 1 1184 . 1 1 101 101 THR H H 1 8.45 0.02 . 1 . . . . . . . . 6869 1 1185 . 1 1 101 101 THR CA C 13 60.5 0.10 . 1 . . . . . . . . 6869 1 1186 . 1 1 101 101 THR HA H 1 4.72 0.02 . 1 . . . . . . . . 6869 1 1187 . 1 1 101 101 THR CB C 13 67.9 0.10 . 1 . . . . . . . . 6869 1 1188 . 1 1 101 101 THR HB H 1 4.81 0.02 . 1 . . . . . . . . 6869 1 1189 . 1 1 101 101 THR HG21 H 1 1.35 0.02 . 1 . . . . . . . . 6869 1 1190 . 1 1 101 101 THR HG22 H 1 1.35 0.02 . 1 . . . . . . . . 6869 1 1191 . 1 1 101 101 THR HG23 H 1 1.35 0.02 . 1 . . . . . . . . 6869 1 1192 . 1 1 101 101 THR HG1 H 1 6.21 0.02 . 1 . . . . . . . . 6869 1 1193 . 1 1 102 102 PRO CD C 13 51.1 0.10 . 1 . . . . . . . . 6869 1 1194 . 1 1 102 102 PRO CA C 13 67.3 0.10 . 1 . . . . . . . . 6869 1 1195 . 1 1 102 102 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 6869 1 1196 . 1 1 102 102 PRO CB C 13 33.0 0.10 . 1 . . . . . . . . 6869 1 1197 . 1 1 102 102 PRO HB2 H 1 2.14 0.02 . 1 . . . . . . . . 6869 1 1198 . 1 1 102 102 PRO HB3 H 1 2.21 0.02 . 1 . . . . . . . . 6869 1 1199 . 1 1 102 102 PRO CG C 13 28.4 0.10 . 1 . . . . . . . . 6869 1 1200 . 1 1 102 102 PRO HG2 H 1 1.97 0.02 . 1 . . . . . . . . 6869 1 1201 . 1 1 102 102 PRO HG3 H 1 1.89 0.02 . 1 . . . . . . . . 6869 1 1202 . 1 1 102 102 PRO HD2 H 1 4.25 0.02 . 1 . . . . . . . . 6869 1 1203 . 1 1 102 102 PRO HD3 H 1 4.25 0.02 . 1 . . . . . . . . 6869 1 1204 . 1 1 102 102 PRO C C 13 178.6 0.10 . 1 . . . . . . . . 6869 1 1205 . 1 1 103 103 LEU N N 15 115.2 0.10 . 1 . . . . . . . . 6869 1 1206 . 1 1 103 103 LEU H H 1 8.21 0.02 . 1 . . . . . . . . 6869 1 1207 . 1 1 103 103 LEU CA C 13 58.6 0.10 . 1 . . . . . . . . 6869 1 1208 . 1 1 103 103 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 6869 1 1209 . 1 1 103 103 LEU CB C 13 40.9 0.10 . 1 . . . . . . . . 6869 1 1210 . 1 1 103 103 LEU HB2 H 1 1.55 0.02 . 1 . . . . . . . . 6869 1 1211 . 1 1 103 103 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 6869 1 1212 . 1 1 103 103 LEU CG C 13 26.9 0.10 . 1 . . . . . . . . 6869 1 1213 . 1 1 103 103 LEU HG H 1 1.71 0.02 . 1 . . . . . . . . 6869 1 1214 . 1 1 103 103 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 1215 . 1 1 103 103 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 1216 . 1 1 103 103 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 1217 . 1 1 103 103 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 6869 1 1218 . 1 1 103 103 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 6869 1 1219 . 1 1 103 103 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 6869 1 1220 . 1 1 103 103 LEU CD1 C 13 25.2 0.10 . 1 . . . . . . . . 6869 1 1221 . 1 1 103 103 LEU CD2 C 13 23.1 0.10 . 1 . . . . . . . . 6869 1 1222 . 1 1 103 103 LEU C C 13 180.4 0.10 . 1 . . . . . . . . 6869 1 1223 . 1 1 104 104 GLU N N 15 121.3 0.10 . 1 . . . . . . . . 6869 1 1224 . 1 1 104 104 GLU H H 1 8.00 0.02 . 1 . . . . . . . . 6869 1 1225 . 1 1 104 104 GLU CA C 13 58.5 0.10 . 1 . . . . . . . . 6869 1 1226 . 1 1 104 104 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 6869 1 1227 . 1 1 104 104 GLU CB C 13 28.1 0.10 . 1 . . . . . . . . 6869 1 1228 . 1 1 104 104 GLU HB2 H 1 2.27 0.02 . 1 . . . . . . . . 6869 1 1229 . 1 1 104 104 GLU HB3 H 1 1.74 0.02 . 1 . . . . . . . . 6869 1 1230 . 1 1 104 104 GLU CG C 13 36.4 0.10 . 1 . . . . . . . . 6869 1 1231 . 1 1 104 104 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . 6869 1 1232 . 1 1 104 104 GLU HG3 H 1 2.11 0.02 . 2 . . . . . . . . 6869 1 1233 . 1 1 104 104 GLU C C 13 181.0 0.10 . 1 . . . . . . . . 6869 1 1234 . 1 1 105 105 TRP N N 15 122.8 0.10 . 1 . . . . . . . . 6869 1 1235 . 1 1 105 105 TRP H H 1 9.00 0.02 . 1 . . . . . . . . 6869 1 1236 . 1 1 105 105 TRP CA C 13 61.8 0.10 . 1 . . . . . . . . 6869 1 1237 . 1 1 105 105 TRP HA H 1 4.34 0.02 . 1 . . . . . . . . 6869 1 1238 . 1 1 105 105 TRP CB C 13 29.5 0.10 . 1 . . . . . . . . 6869 1 1239 . 1 1 105 105 TRP HB2 H 1 3.66 0.02 . 1 . . . . . . . . 6869 1 1240 . 1 1 105 105 TRP HB3 H 1 3.09 0.02 . 1 . . . . . . . . 6869 1 1241 . 1 1 105 105 TRP NE1 N 15 129.2 0.10 . 1 . . . . . . . . 6869 1 1242 . 1 1 105 105 TRP HD1 H 1 6.80 0.02 . 1 . . . . . . . . 6869 1 1243 . 1 1 105 105 TRP HE3 H 1 7.59 0.02 . 1 . . . . . . . . 6869 1 1244 . 1 1 105 105 TRP HE1 H 1 9.96 0.02 . 1 . . . . . . . . 6869 1 1245 . 1 1 105 105 TRP HZ3 H 1 7.08 0.02 . 1 . . . . . . . . 6869 1 1246 . 1 1 105 105 TRP HZ2 H 1 7.68 0.02 . 1 . . . . . . . . 6869 1 1247 . 1 1 105 105 TRP HH2 H 1 7.30 0.02 . 1 . . . . . . . . 6869 1 1248 . 1 1 105 105 TRP C C 13 179.3 0.10 . 1 . . . . . . . . 6869 1 1249 . 1 1 106 106 ARG N N 15 116.9 0.10 . 1 . . . . . . . . 6869 1 1250 . 1 1 106 106 ARG H H 1 7.92 0.02 . 1 . . . . . . . . 6869 1 1251 . 1 1 106 106 ARG CA C 13 60.8 0.10 . 1 . . . . . . . . 6869 1 1252 . 1 1 106 106 ARG HA H 1 3.89 0.02 . 1 . . . . . . . . 6869 1 1253 . 1 1 106 106 ARG CB C 13 30.3 0.10 . 1 . . . . . . . . 6869 1 1254 . 1 1 106 106 ARG HB2 H 1 2.15 0.02 . 1 . . . . . . . . 6869 1 1255 . 1 1 106 106 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 6869 1 1256 . 1 1 106 106 ARG CG C 13 27.1 0.10 . 1 . . . . . . . . 6869 1 1257 . 1 1 106 106 ARG HG2 H 1 2.06 0.02 . 1 . . . . . . . . 6869 1 1258 . 1 1 106 106 ARG HG3 H 1 2.06 0.02 . 1 . . . . . . . . 6869 1 1259 . 1 1 106 106 ARG CD C 13 44.3 0.10 . 1 . . . . . . . . 6869 1 1260 . 1 1 106 106 ARG HD2 H 1 3.29 0.02 . 2 . . . . . . . . 6869 1 1261 . 1 1 106 106 ARG HD3 H 1 3.02 0.02 . 2 . . . . . . . . 6869 1 1262 . 1 1 106 106 ARG HE H 1 7.13 0.02 . 1 . . . . . . . . 6869 1 1263 . 1 1 106 106 ARG C C 13 177.4 0.10 . 1 . . . . . . . . 6869 1 1264 . 1 1 107 107 GLN N N 15 116.5 0.10 . 1 . . . . . . . . 6869 1 1265 . 1 1 107 107 GLN H H 1 7.48 0.02 . 1 . . . . . . . . 6869 1 1266 . 1 1 107 107 GLN CA C 13 58.2 0.10 . 1 . . . . . . . . 6869 1 1267 . 1 1 107 107 GLN HA H 1 4.08 0.02 . 1 . . . . . . . . 6869 1 1268 . 1 1 107 107 GLN CB C 13 27.9 0.10 . 1 . . . . . . . . 6869 1 1269 . 1 1 107 107 GLN HB2 H 1 2.23 0.02 . 2 . . . . . . . . 6869 1 1270 . 1 1 107 107 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 6869 1 1271 . 1 1 107 107 GLN CG C 13 36.4 0.10 . 1 . . . . . . . . 6869 1 1272 . 1 1 107 107 GLN HG2 H 1 2.49 0.02 . 2 . . . . . . . . 6869 1 1273 . 1 1 107 107 GLN HG3 H 1 2.44 0.02 . 2 . . . . . . . . 6869 1 1274 . 1 1 107 107 GLN NE2 N 15 112.1 0.10 . 1 . . . . . . . . 6869 1 1275 . 1 1 107 107 GLN HE21 H 1 8.04 0.02 . 2 . . . . . . . . 6869 1 1276 . 1 1 107 107 GLN HE22 H 1 6.82 0.02 . 2 . . . . . . . . 6869 1 1277 . 1 1 107 107 GLN C C 13 177.2 0.10 . 1 . . . . . . . . 6869 1 1278 . 1 1 108 108 ALA N N 15 122.6 0.10 . 1 . . . . . . . . 6869 1 1279 . 1 1 108 108 ALA H H 1 8.30 0.02 . 1 . . . . . . . . 6869 1 1280 . 1 1 108 108 ALA CA C 13 54.9 0.10 . 1 . . . . . . . . 6869 1 1281 . 1 1 108 108 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 6869 1 1282 . 1 1 108 108 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 6869 1 1283 . 1 1 108 108 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 6869 1 1284 . 1 1 108 108 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 6869 1 1285 . 1 1 108 108 ALA CB C 13 17.5 0.10 . 1 . . . . . . . . 6869 1 1286 . 1 1 108 108 ALA C C 13 181.0 0.10 . 1 . . . . . . . . 6869 1 1287 . 1 1 109 109 ILE N N 15 120.2 0.10 . 1 . . . . . . . . 6869 1 1288 . 1 1 109 109 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 6869 1 1289 . 1 1 109 109 ILE CA C 13 64.9 0.10 . 1 . . . . . . . . 6869 1 1290 . 1 1 109 109 ILE HA H 1 3.73 0.02 . 1 . . . . . . . . 6869 1 1291 . 1 1 109 109 ILE CB C 13 38.2 0.10 . 1 . . . . . . . . 6869 1 1292 . 1 1 109 109 ILE HB H 1 1.98 0.02 . 1 . . . . . . . . 6869 1 1293 . 1 1 109 109 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 1294 . 1 1 109 109 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 1295 . 1 1 109 109 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 6869 1 1296 . 1 1 109 109 ILE CG2 C 13 21.5 0.10 . 1 . . . . . . . . 6869 1 1297 . 1 1 109 109 ILE HG12 H 1 1.18 0.02 . 1 . . . . . . . . 6869 1 1298 . 1 1 109 109 ILE HG13 H 1 1.18 0.02 . 1 . . . . . . . . 6869 1 1299 . 1 1 109 109 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1300 . 1 1 109 109 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1301 . 1 1 109 109 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 6869 1 1302 . 1 1 109 109 ILE CD1 C 13 18.5 0.10 . 1 . . . . . . . . 6869 1 1303 . 1 1 109 109 ILE C C 13 177.7 0.10 . 1 . . . . . . . . 6869 1 1304 . 1 1 110 110 TYR N N 15 121.8 0.10 . 1 . . . . . . . . 6869 1 1305 . 1 1 110 110 TYR H H 1 8.05 0.02 . 1 . . . . . . . . 6869 1 1306 . 1 1 110 110 TYR CA C 13 61.2 0.10 . 1 . . . . . . . . 6869 1 1307 . 1 1 110 110 TYR HA H 1 4.10 0.02 . 1 . . . . . . . . 6869 1 1308 . 1 1 110 110 TYR CB C 13 37.5 0.10 . 1 . . . . . . . . 6869 1 1309 . 1 1 110 110 TYR HB2 H 1 3.24 0.02 . 1 . . . . . . . . 6869 1 1310 . 1 1 110 110 TYR HB3 H 1 3.39 0.02 . 1 . . . . . . . . 6869 1 1311 . 1 1 110 110 TYR HD1 H 1 7.06 0.02 . 1 . . . . . . . . 6869 1 1312 . 1 1 110 110 TYR HD2 H 1 7.06 0.02 . 1 . . . . . . . . 6869 1 1313 . 1 1 110 110 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 6869 1 1314 . 1 1 110 110 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 6869 1 1315 . 1 1 110 110 TYR C C 13 177.0 0.10 . 1 . . . . . . . . 6869 1 1316 . 1 1 111 111 GLU N N 15 116.9 0.10 . 1 . . . . . . . . 6869 1 1317 . 1 1 111 111 GLU H H 1 8.26 0.02 . 1 . . . . . . . . 6869 1 1318 . 1 1 111 111 GLU CA C 13 59.5 0.10 . 1 . . . . . . . . 6869 1 1319 . 1 1 111 111 GLU HA H 1 3.71 0.02 . 1 . . . . . . . . 6869 1 1320 . 1 1 111 111 GLU CB C 13 28.9 0.10 . 1 . . . . . . . . 6869 1 1321 . 1 1 111 111 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 6869 1 1322 . 1 1 111 111 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 6869 1 1323 . 1 1 111 111 GLU CG C 13 36.7 0.10 . 1 . . . . . . . . 6869 1 1324 . 1 1 111 111 GLU HG2 H 1 2.66 0.02 . 2 . . . . . . . . 6869 1 1325 . 1 1 111 111 GLU HG3 H 1 2.32 0.02 . 2 . . . . . . . . 6869 1 1326 . 1 1 111 111 GLU C C 13 179.4 0.10 . 1 . . . . . . . . 6869 1 1327 . 1 1 112 112 GLU N N 15 120.9 0.10 . 1 . . . . . . . . 6869 1 1328 . 1 1 112 112 GLU H H 1 8.04 0.02 . 1 . . . . . . . . 6869 1 1329 . 1 1 112 112 GLU CA C 13 59.2 0.10 . 1 . . . . . . . . 6869 1 1330 . 1 1 112 112 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 6869 1 1331 . 1 1 112 112 GLU CB C 13 29.7 0.10 . 1 . . . . . . . . 6869 1 1332 . 1 1 112 112 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 6869 1 1333 . 1 1 112 112 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 6869 1 1334 . 1 1 112 112 GLU CG C 13 36.0 0.10 . 1 . . . . . . . . 6869 1 1335 . 1 1 112 112 GLU HG2 H 1 2.54 0.02 . 2 . . . . . . . . 6869 1 1336 . 1 1 112 112 GLU HG3 H 1 2.40 0.02 . 2 . . . . . . . . 6869 1 1337 . 1 1 112 112 GLU C C 13 179.0 0.10 . 1 . . . . . . . . 6869 1 1338 . 1 1 113 113 LYS N N 15 118.9 0.10 . 1 . . . . . . . . 6869 1 1339 . 1 1 113 113 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 6869 1 1340 . 1 1 113 113 LYS CA C 13 58.7 0.10 . 1 . . . . . . . . 6869 1 1341 . 1 1 113 113 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 6869 1 1342 . 1 1 113 113 LYS CB C 13 31.7 0.10 . 1 . . . . . . . . 6869 1 1343 . 1 1 113 113 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6869 1 1344 . 1 1 113 113 LYS HB3 H 1 1.83 0.02 . 2 . . . . . . . . 6869 1 1345 . 1 1 113 113 LYS CG C 13 24.8 0.10 . 1 . . . . . . . . 6869 1 1346 . 1 1 113 113 LYS HG2 H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 1347 . 1 1 113 113 LYS HG3 H 1 1.62 0.02 . 1 . . . . . . . . 6869 1 1348 . 1 1 113 113 LYS CD C 13 28.4 0.10 . 1 . . . . . . . . 6869 1 1349 . 1 1 113 113 LYS CE C 13 41.8 0.10 . 1 . . . . . . . . 6869 1 1350 . 1 1 113 113 LYS C C 13 179.7 0.10 . 1 . . . . . . . . 6869 1 1351 . 1 1 114 114 LEU N N 15 120.7 0.10 . 1 . . . . . . . . 6869 1 1352 . 1 1 114 114 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 6869 1 1353 . 1 1 114 114 LEU CA C 13 57.2 0.10 . 1 . . . . . . . . 6869 1 1354 . 1 1 114 114 LEU HA H 1 3.92 0.02 . 1 . . . . . . . . 6869 1 1355 . 1 1 114 114 LEU CB C 13 41.7 0.10 . 1 . . . . . . . . 6869 1 1356 . 1 1 114 114 LEU HB2 H 1 1.54 0.02 . 1 . . . . . . . . 6869 1 1357 . 1 1 114 114 LEU HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6869 1 1358 . 1 1 114 114 LEU CG C 13 26.2 0.10 . 1 . . . . . . . . 6869 1 1359 . 1 1 114 114 LEU HG H 1 1.26 0.02 . 1 . . . . . . . . 6869 1 1360 . 1 1 114 114 LEU HD11 H 1 0.55 0.02 . 2 . . . . . . . . 6869 1 1361 . 1 1 114 114 LEU HD12 H 1 0.55 0.02 . 2 . . . . . . . . 6869 1 1362 . 1 1 114 114 LEU HD13 H 1 0.55 0.02 . 2 . . . . . . . . 6869 1 1363 . 1 1 114 114 LEU HD21 H 1 0.64 0.02 . 2 . . . . . . . . 6869 1 1364 . 1 1 114 114 LEU HD22 H 1 0.64 0.02 . 2 . . . . . . . . 6869 1 1365 . 1 1 114 114 LEU HD23 H 1 0.64 0.02 . 2 . . . . . . . . 6869 1 1366 . 1 1 114 114 LEU CD1 C 13 24.8 0.10 . 1 . . . . . . . . 6869 1 1367 . 1 1 114 114 LEU CD2 C 13 22.6 0.10 . 1 . . . . . . . . 6869 1 1368 . 1 1 114 114 LEU C C 13 178.9 0.10 . 1 . . . . . . . . 6869 1 1369 . 1 1 115 115 ALA N N 15 121.1 0.10 . 1 . . . . . . . . 6869 1 1370 . 1 1 115 115 ALA H H 1 7.75 0.02 . 1 . . . . . . . . 6869 1 1371 . 1 1 115 115 ALA CA C 13 54.2 0.10 . 1 . . . . . . . . 6869 1 1372 . 1 1 115 115 ALA HA H 1 4.08 0.02 . 1 . . . . . . . . 6869 1 1373 . 1 1 115 115 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 1374 . 1 1 115 115 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 1375 . 1 1 115 115 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 1376 . 1 1 115 115 ALA CB C 13 18.1 0.10 . 1 . . . . . . . . 6869 1 1377 . 1 1 115 115 ALA C C 13 179.5 0.10 . 1 . . . . . . . . 6869 1 1378 . 1 1 116 116 GLN N N 15 117.2 0.10 . 1 . . . . . . . . 6869 1 1379 . 1 1 116 116 GLN H H 1 7.85 0.02 . 1 . . . . . . . . 6869 1 1380 . 1 1 116 116 GLN CA C 13 57.2 0.10 . 1 . . . . . . . . 6869 1 1381 . 1 1 116 116 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 6869 1 1382 . 1 1 116 116 GLN CB C 13 28.8 0.10 . 1 . . . . . . . . 6869 1 1383 . 1 1 116 116 GLN HB2 H 1 2.10 0.02 . 1 . . . . . . . . 6869 1 1384 . 1 1 116 116 GLN HB3 H 1 2.10 0.02 . 1 . . . . . . . . 6869 1 1385 . 1 1 116 116 GLN CG C 13 33.7 0.10 . 1 . . . . . . . . 6869 1 1386 . 1 1 116 116 GLN HG2 H 1 2.53 0.02 . 2 . . . . . . . . 6869 1 1387 . 1 1 116 116 GLN HG3 H 1 2.40 0.02 . 2 . . . . . . . . 6869 1 1388 . 1 1 116 116 GLN NE2 N 15 111.3 0.10 . 1 . . . . . . . . 6869 1 1389 . 1 1 116 116 GLN HE21 H 1 7.44 0.02 . 2 . . . . . . . . 6869 1 1390 . 1 1 116 116 GLN HE22 H 1 6.79 0.02 . 2 . . . . . . . . 6869 1 1391 . 1 1 116 116 GLN C C 13 176.9 0.10 . 1 . . . . . . . . 6869 1 1392 . 1 1 117 117 ALA N N 15 122.4 0.10 . 1 . . . . . . . . 6869 1 1393 . 1 1 117 117 ALA H H 1 7.79 0.02 . 1 . . . . . . . . 6869 1 1394 . 1 1 117 117 ALA CA C 13 53.3 0.10 . 1 . . . . . . . . 6869 1 1395 . 1 1 117 117 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 6869 1 1396 . 1 1 117 117 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 1397 . 1 1 117 117 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 1398 . 1 1 117 117 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 1399 . 1 1 117 117 ALA CB C 13 18.4 0.10 . 1 . . . . . . . . 6869 1 1400 . 1 1 117 117 ALA C C 13 178.2 0.10 . 1 . . . . . . . . 6869 1 1401 . 1 1 118 118 ARG N N 15 118.5 0.10 . 1 . . . . . . . . 6869 1 1402 . 1 1 118 118 ARG H H 1 7.89 0.02 . 1 . . . . . . . . 6869 1 1403 . 1 1 118 118 ARG CA C 13 57.4 0.10 . 1 . . . . . . . . 6869 1 1404 . 1 1 118 118 ARG HA H 1 4.20 0.02 . 1 . . . . . . . . 6869 1 1405 . 1 1 118 118 ARG CB C 13 30.5 0.10 . 1 . . . . . . . . 6869 1 1406 . 1 1 118 118 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 6869 1 1407 . 1 1 118 118 ARG HB3 H 1 1.85 0.02 . 2 . . . . . . . . 6869 1 1408 . 1 1 118 118 ARG CG C 13 27.8 0.10 . 1 . . . . . . . . 6869 1 1409 . 1 1 118 118 ARG HG2 H 1 1.72 0.02 . 2 . . . . . . . . 6869 1 1410 . 1 1 118 118 ARG HG3 H 1 1.63 0.02 . 2 . . . . . . . . 6869 1 1411 . 1 1 118 118 ARG CD C 13 43.2 0.10 . 1 . . . . . . . . 6869 1 1412 . 1 1 118 118 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 6869 1 1413 . 1 1 118 118 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 6869 1 1414 . 1 1 118 118 ARG C C 13 176.8 0.10 . 1 . . . . . . . . 6869 1 1415 . 1 1 119 119 GLU N N 15 119.6 0.10 . 1 . . . . . . . . 6869 1 1416 . 1 1 119 119 GLU H H 1 8.09 0.02 . 1 . . . . . . . . 6869 1 1417 . 1 1 119 119 GLU CA C 13 57.1 0.10 . 1 . . . . . . . . 6869 1 1418 . 1 1 119 119 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 6869 1 1419 . 1 1 119 119 GLU CB C 13 30.2 0.10 . 1 . . . . . . . . 6869 1 1420 . 1 1 119 119 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 6869 1 1421 . 1 1 119 119 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 6869 1 1422 . 1 1 119 119 GLU CG C 13 36.0 0.10 . 1 . . . . . . . . 6869 1 1423 . 1 1 119 119 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 6869 1 1424 . 1 1 119 119 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 6869 1 1425 . 1 1 119 119 GLU C C 13 176.6 0.10 . 1 . . . . . . . . 6869 1 1426 . 1 1 120 120 SER N N 15 115.4 0.10 . 1 . . . . . . . . 6869 1 1427 . 1 1 120 120 SER H H 1 8.04 0.02 . 1 . . . . . . . . 6869 1 1428 . 1 1 120 120 SER CA C 13 58.7 0.10 . 1 . . . . . . . . 6869 1 1429 . 1 1 120 120 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 6869 1 1430 . 1 1 120 120 SER CB C 13 63.5 0.10 . 1 . . . . . . . . 6869 1 1431 . 1 1 120 120 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 6869 1 1432 . 1 1 120 120 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . 6869 1 1433 . 1 1 120 120 SER C C 13 174.3 0.10 . 1 . . . . . . . . 6869 1 1434 . 1 1 121 121 ILE N N 15 122.0 0.10 . 1 . . . . . . . . 6869 1 1435 . 1 1 121 121 ILE H H 1 7.91 0.02 . 1 . . . . . . . . 6869 1 1436 . 1 1 121 121 ILE CA C 13 61.4 0.10 . 1 . . . . . . . . 6869 1 1437 . 1 1 121 121 ILE HA H 1 4.15 0.02 . 1 . . . . . . . . 6869 1 1438 . 1 1 121 121 ILE CB C 13 38.7 0.10 . 1 . . . . . . . . 6869 1 1439 . 1 1 121 121 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 6869 1 1440 . 1 1 121 121 ILE HG21 H 1 1.16 0.02 . 1 . . . . . . . . 6869 1 1441 . 1 1 121 121 ILE HG22 H 1 1.16 0.02 . 1 . . . . . . . . 6869 1 1442 . 1 1 121 121 ILE HG23 H 1 1.16 0.02 . 1 . . . . . . . . 6869 1 1443 . 1 1 121 121 ILE CG2 C 13 17.4 0.10 . 1 . . . . . . . . 6869 1 1444 . 1 1 121 121 ILE CG1 C 13 27.2 0.10 . 1 . . . . . . . . 6869 1 1445 . 1 1 121 121 ILE HG12 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 1446 . 1 1 121 121 ILE HG13 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 1447 . 1 1 121 121 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 1448 . 1 1 121 121 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 1449 . 1 1 121 121 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 1450 . 1 1 121 121 ILE CD1 C 13 12.9 0.10 . 1 . . . . . . . . 6869 1 1451 . 1 1 121 121 ILE C C 13 176.0 0.10 . 1 . . . . . . . . 6869 1 1452 . 1 1 122 122 ILE N N 15 124.4 0.10 . 1 . . . . . . . . 6869 1 1453 . 1 1 122 122 ILE H H 1 8.04 0.02 . 1 . . . . . . . . 6869 1 1454 . 1 1 122 122 ILE CA C 13 61.1 0.10 . 1 . . . . . . . . 6869 1 1455 . 1 1 122 122 ILE HA H 1 4.11 0.02 . 1 . . . . . . . . 6869 1 1456 . 1 1 122 122 ILE CB C 13 38.6 0.10 . 1 . . . . . . . . 6869 1 1457 . 1 1 122 122 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 6869 1 1458 . 1 1 122 122 ILE HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6869 1 1459 . 1 1 122 122 ILE HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6869 1 1460 . 1 1 122 122 ILE HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6869 1 1461 . 1 1 122 122 ILE CG2 C 13 17.4 0.10 . 1 . . . . . . . . 6869 1 1462 . 1 1 122 122 ILE CG1 C 13 27.1 0.10 . 1 . . . . . . . . 6869 1 1463 . 1 1 122 122 ILE HG12 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 1464 . 1 1 122 122 ILE HG13 H 1 1.45 0.02 . 1 . . . . . . . . 6869 1 1465 . 1 1 122 122 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 1466 . 1 1 122 122 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 1467 . 1 1 122 122 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 6869 1 1468 . 1 1 122 122 ILE CD1 C 13 12.6 0.10 . 1 . . . . . . . . 6869 1 1469 . 1 1 122 122 ILE C C 13 175.7 0.10 . 1 . . . . . . . . 6869 1 1470 . 1 1 123 123 ALA N N 15 127.9 0.10 . 1 . . . . . . . . 6869 1 1471 . 1 1 123 123 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 6869 1 1472 . 1 1 123 123 ALA CA C 13 52.5 0.10 . 1 . . . . . . . . 6869 1 1473 . 1 1 123 123 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 6869 1 1474 . 1 1 123 123 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 6869 1 1475 . 1 1 123 123 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 6869 1 1476 . 1 1 123 123 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 6869 1 1477 . 1 1 123 123 ALA CB C 13 19.5 0.10 . 1 . . . . . . . . 6869 1 1478 . 1 1 123 123 ALA C C 13 177.1 0.10 . 1 . . . . . . . . 6869 1 1479 . 1 1 124 124 ASP N N 15 119.6 0.10 . 1 . . . . . . . . 6869 1 1480 . 1 1 124 124 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 6869 1 1481 . 1 1 124 124 ASP CA C 13 54.3 0.10 . 1 . . . . . . . . 6869 1 1482 . 1 1 124 124 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 6869 1 1483 . 1 1 124 124 ASP CB C 13 41.1 0.10 . 1 . . . . . . . . 6869 1 1484 . 1 1 124 124 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 6869 1 1485 . 1 1 124 124 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 6869 1 1486 . 1 1 124 124 ASP C C 13 175.8 0.10 . 1 . . . . . . . . 6869 1 1487 . 1 1 125 125 ASN N N 15 118.5 0.10 . 1 . . . . . . . . 6869 1 1488 . 1 1 125 125 ASN H H 1 8.27 0.02 . 1 . . . . . . . . 6869 1 1489 . 1 1 125 125 ASN CA C 13 53.3 0.10 . 1 . . . . . . . . 6869 1 1490 . 1 1 125 125 ASN HA H 1 4.67 0.02 . 1 . . . . . . . . 6869 1 1491 . 1 1 125 125 ASN CB C 13 38.8 0.10 . 1 . . . . . . . . 6869 1 1492 . 1 1 125 125 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 6869 1 1493 . 1 1 125 125 ASN HB3 H 1 2.74 0.02 . 2 . . . . . . . . 6869 1 1494 . 1 1 125 125 ASN HD21 H 1 7.53 0.02 . 2 . . . . . . . . 6869 1 1495 . 1 1 125 125 ASN HD22 H 1 6.82 0.02 . 2 . . . . . . . . 6869 1 1496 . 1 1 125 125 ASN C C 13 174.7 0.10 . 1 . . . . . . . . 6869 1 1497 . 1 1 126 126 ASN N N 15 118.7 0.10 . 1 . . . . . . . . 6869 1 1498 . 1 1 126 126 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 6869 1 1499 . 1 1 126 126 ASN CA C 13 53.3 0.10 . 1 . . . . . . . . 6869 1 1500 . 1 1 126 126 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 6869 1 1501 . 1 1 126 126 ASN CB C 13 38.9 0.10 . 1 . . . . . . . . 6869 1 1502 . 1 1 126 126 ASN HB2 H 1 2.81 0.02 . 2 . . . . . . . . 6869 1 1503 . 1 1 126 126 ASN HB3 H 1 2.73 0.02 . 2 . . . . . . . . 6869 1 1504 . 1 1 126 126 ASN HD21 H 1 7.59 0.02 . 2 . . . . . . . . 6869 1 1505 . 1 1 126 126 ASN HD22 H 1 6.83 0.02 . 2 . . . . . . . . 6869 1 1506 . 1 1 126 126 ASN C C 13 174.6 0.10 . 1 . . . . . . . . 6869 1 1507 . 1 1 127 127 ILE N N 15 120.7 0.10 . 1 . . . . . . . . 6869 1 1508 . 1 1 127 127 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 6869 1 1509 . 1 1 127 127 ILE CA C 13 61.3 0.10 . 1 . . . . . . . . 6869 1 1510 . 1 1 127 127 ILE CB C 13 38.8 0.10 . 1 . . . . . . . . 6869 1 1511 . 1 1 127 127 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 6869 1 1512 . 1 1 127 127 ILE HG21 H 1 1.14 0.02 . 1 . . . . . . . . 6869 1 1513 . 1 1 127 127 ILE HG22 H 1 1.14 0.02 . 1 . . . . . . . . 6869 1 1514 . 1 1 127 127 ILE HG23 H 1 1.14 0.02 . 1 . . . . . . . . 6869 1 1515 . 1 1 127 127 ILE CG2 C 13 17.3 0.10 . 1 . . . . . . . . 6869 1 1516 . 1 1 127 127 ILE CG1 C 13 27.0 0.10 . 1 . . . . . . . . 6869 1 1517 . 1 1 127 127 ILE HG12 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 1518 . 1 1 127 127 ILE HG13 H 1 1.44 0.02 . 1 . . . . . . . . 6869 1 1519 . 1 1 127 127 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 1520 . 1 1 127 127 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 1521 . 1 1 127 127 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 6869 1 1522 . 1 1 127 127 ILE CD1 C 13 12.7 0.10 . 1 . . . . . . . . 6869 1 1523 . 1 1 127 127 ILE C C 13 175.0 0.10 . 1 . . . . . . . . 6869 1 1524 . 1 1 128 128 GLN N N 15 129.0 0.10 . 1 . . . . . . . . 6869 1 1525 . 1 1 128 128 GLN H H 1 7.92 0.02 . 1 . . . . . . . . 6869 1 1526 . 1 1 128 128 GLN CA C 13 57.2 0.10 . 1 . . . . . . . . 6869 1 1527 . 1 1 128 128 GLN HA H 1 4.14 0.02 . 1 . . . . . . . . 6869 1 1528 . 1 1 128 128 GLN CB C 13 30.7 0.10 . 1 . . . . . . . . 6869 1 1529 . 1 1 128 128 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 6869 1 1530 . 1 1 128 128 GLN HB3 H 1 1.90 0.02 . 2 . . . . . . . . 6869 1 1531 . 1 1 128 128 GLN HG2 H 1 2.26 0.02 . 1 . . . . . . . . 6869 1 1532 . 1 1 128 128 GLN HG3 H 1 2.26 0.02 . 1 . . . . . . . . 6869 1 1533 . 1 1 128 128 GLN HE21 H 1 7.45 0.02 . 2 . . . . . . . . 6869 1 1534 . 1 1 128 128 GLN HE22 H 1 6.74 0.02 . 2 . . . . . . . . 6869 1 stop_ save_