data_5121 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5121 _Entry.Title ; In vivo Protein Cyclization Promoted by a Circularly Permuted Synechocystis sp. PCC6803 DnaB Mini-intein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-08-24 _Entry.Accession_date 2001-08-24 _Entry.Last_release_date 2002-04-08 _Entry.Original_release_date 2002-04-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Neal Williams . K. . 5121 2 Pavel Prosselkov . . . 5121 3 Edvards Liepinsh . . . 5121 4 Inara Line . . . 5121 5 Anatoly Sharipo . . . 5121 6 Dene Littler . R. . 5121 7 Paul Curmi . M.G. . 5121 8 Gottfried Otting . . . 5121 9 Nicholas Dixon . E. . 5121 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5121 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 774 5121 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-04-08 2001-08-24 original author . 5121 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4297 'DnaB(24-136) recorded at different conditions' 5121 BMRB 5122 'cyclic N-terminal domain of DnaB helicase' 5121 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5121 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21864163 _Citation.DOI . _Citation.PubMed_ID 11742000 _Citation.Full_citation . _Citation.Title ; In vivo Protein Cyclization Promoted by a Circularly Permuted Synechocystis sp. PCC6803 DnaB Mini-intein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 10 _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 7790 _Citation.Page_last 7798 _Citation.Year 2002 _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 Neal Williams . K. . 5121 1 2 Pavel Prosselkov . . . 5121 1 3 Edvards Liepinsh . . . 5121 1 4 Inara Line . . . 5121 1 5 Anatoly Sharipo . . . 5121 1 6 Dene Littler . R. . 5121 1 7 Paul Curmi . M.G. . 5121 1 8 Gottfried Otting . . . 5121 1 9 Nicholas Dixon . E. . 5121 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DnaB(24-136) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DnaB(24-136) _Assembly.Entry_ID 5121 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of DnaB helicase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5121 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 DnaB(24-136) 1 $DnaB(24-136) . . . native . . . . . 5121 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-terminal domain of DnaB helicase' system 5121 1 DnaB(24-136) abbreviation 5121 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaB(24-136) _Entity.Sf_category entity _Entity.Sf_framecode DnaB(24-136) _Entity.Entry_ID 5121 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal Domain of E. coli DnaB Helicase' _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 ; MKVPPHSIEAEQSVLGGLML DNERWDDVAERVVADDFYTR PHRHIFTEMARLQESGSPID LITLAESLERQGQLDSVGGF AYLAELSKNTPSAANISAYA DIVRERAVVREMIS ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4075 . DnaB-Nterm . . . . . 100.00 142 99.12 100.00 6.88e-76 . . . . 5121 1 2 no BMRB 4297 . DnaB(24-136) . . . . . 100.00 114 100.00 100.00 1.44e-76 . . . . 5121 1 3 no BMRB 5122 . cz-DnaB . . . . . 99.12 122 100.00 100.00 1.04e-75 . . . . 5121 1 4 no PDB 1B79 . "N-Terminal Domain Of Dna Replication Protein Dnab" . . . . . 92.98 119 99.06 100.00 2.84e-70 . . . . 5121 1 5 no PDB 1JWE . "Nmr Structure Of The N-Terminal Domain Of E. Coli Dnab Helicase" . . . . . 100.00 114 100.00 100.00 1.44e-76 . . . . 5121 1 6 no DBJ BAB38457 . "replicative DNA helicase DnaB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 471 98.25 100.00 1.44e-71 . . . . 5121 1 7 no DBJ BAE78054 . "replicative DNA helicase [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 8 no DBJ BAG66812 . "replicative DNA helicase [Escherichia coli O111:H-]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 9 no DBJ BAG79869 . "replicative DNA helicase [Escherichia coli SE11]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 10 no DBJ BAH61192 . "replicative DNA helicase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 471 99.12 100.00 6.32e-72 . . . . 5121 1 11 no EMBL CAP78509 . "Replicative DNA helicase [Escherichia coli LF82]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 12 no EMBL CAQ34401 . "dnaB, subunit of replicative DNA helicase and primosome [Escherichia coli BL21(DE3)]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 13 no EMBL CAQ91563 . "replicative DNA helicase [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 471 98.25 99.12 2.21e-71 . . . . 5121 1 14 no EMBL CAR01031 . "replicative DNA helicase [Escherichia coli IAI1]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 15 no EMBL CAR05689 . "replicative DNA helicase [Escherichia coli S88]" . . . . . 100.00 471 99.12 100.00 5.33e-72 . . . . 5121 1 16 no GB AAA23689 . "DnaB replication protein (dnaB) [Escherichia coli]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 17 no GB AAA23690 . "helicase, partial [Escherichia coli]" . . . . . 100.00 157 99.12 100.00 1.30e-75 . . . . 5121 1 18 no GB AAC43146 . "ORF_o471 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 19 no GB AAC77022 . "replicative DNA helicase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 20 no GB AAG59250 . "replicative DNA helicase; part of primosome [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 471 98.25 100.00 1.44e-71 . . . . 5121 1 21 no REF NP_290685 . "replicative DNA helicase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 471 98.25 100.00 1.44e-71 . . . . 5121 1 22 no REF NP_313061 . "replicative DNA helicase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 471 98.25 100.00 1.44e-71 . . . . 5121 1 23 no REF NP_418476 . "replicative DNA helicase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 24 no REF NP_709868 . "replicative DNA helicase [Shigella flexneri 2a str. 301]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 25 no REF NP_756878 . "replicative DNA helicase [Escherichia coli CFT073]" . . . . . 100.00 483 99.12 100.00 6.85e-72 . . . . 5121 1 26 no SP P0ACB0 . "RecName: Full=Replicative DNA helicase [Escherichia coli K-12]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 27 no SP P0ACB1 . "RecName: Full=Replicative DNA helicase [Shigella flexneri]" . . . . . 100.00 471 99.12 100.00 5.16e-72 . . . . 5121 1 28 no SP Q8FB22 . "RecName: Full=Replicative DNA helicase [Escherichia coli CFT073]" . . . . . 100.00 471 99.12 100.00 5.33e-72 . . . . 5121 1 29 no SP Q8X5V3 . "RecName: Full=Replicative DNA helicase [Escherichia coli O157:H7]" . . . . . 100.00 471 98.25 100.00 1.44e-71 . . . . 5121 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-terminal Domain of E. coli DnaB Helicase' common 5121 1 DnaB(24-136) abbreviation 5121 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 23 MET . 5121 1 2 24 LYS . 5121 1 3 25 VAL . 5121 1 4 26 PRO . 5121 1 5 27 PRO . 5121 1 6 28 HIS . 5121 1 7 29 SER . 5121 1 8 30 ILE . 5121 1 9 31 GLU . 5121 1 10 32 ALA . 5121 1 11 33 GLU . 5121 1 12 34 GLN . 5121 1 13 35 SER . 5121 1 14 36 VAL . 5121 1 15 37 LEU . 5121 1 16 38 GLY . 5121 1 17 39 GLY . 5121 1 18 40 LEU . 5121 1 19 41 MET . 5121 1 20 42 LEU . 5121 1 21 43 ASP . 5121 1 22 44 ASN . 5121 1 23 45 GLU . 5121 1 24 46 ARG . 5121 1 25 47 TRP . 5121 1 26 48 ASP . 5121 1 27 49 ASP . 5121 1 28 50 VAL . 5121 1 29 51 ALA . 5121 1 30 52 GLU . 5121 1 31 53 ARG . 5121 1 32 54 VAL . 5121 1 33 55 VAL . 5121 1 34 56 ALA . 5121 1 35 57 ASP . 5121 1 36 58 ASP . 5121 1 37 59 PHE . 5121 1 38 60 TYR . 5121 1 39 61 THR . 5121 1 40 62 ARG . 5121 1 41 63 PRO . 5121 1 42 64 HIS . 5121 1 43 65 ARG . 5121 1 44 66 HIS . 5121 1 45 67 ILE . 5121 1 46 68 PHE . 5121 1 47 69 THR . 5121 1 48 70 GLU . 5121 1 49 71 MET . 5121 1 50 72 ALA . 5121 1 51 73 ARG . 5121 1 52 74 LEU . 5121 1 53 75 GLN . 5121 1 54 76 GLU . 5121 1 55 77 SER . 5121 1 56 78 GLY . 5121 1 57 79 SER . 5121 1 58 80 PRO . 5121 1 59 81 ILE . 5121 1 60 82 ASP . 5121 1 61 83 LEU . 5121 1 62 84 ILE . 5121 1 63 85 THR . 5121 1 64 86 LEU . 5121 1 65 87 ALA . 5121 1 66 88 GLU . 5121 1 67 89 SER . 5121 1 68 90 LEU . 5121 1 69 91 GLU . 5121 1 70 92 ARG . 5121 1 71 93 GLN . 5121 1 72 94 GLY . 5121 1 73 95 GLN . 5121 1 74 96 LEU . 5121 1 75 97 ASP . 5121 1 76 98 SER . 5121 1 77 99 VAL . 5121 1 78 100 GLY . 5121 1 79 101 GLY . 5121 1 80 102 PHE . 5121 1 81 103 ALA . 5121 1 82 104 TYR . 5121 1 83 105 LEU . 5121 1 84 106 ALA . 5121 1 85 107 GLU . 5121 1 86 108 LEU . 5121 1 87 109 SER . 5121 1 88 110 LYS . 5121 1 89 111 ASN . 5121 1 90 112 THR . 5121 1 91 113 PRO . 5121 1 92 114 SER . 5121 1 93 115 ALA . 5121 1 94 116 ALA . 5121 1 95 117 ASN . 5121 1 96 118 ILE . 5121 1 97 119 SER . 5121 1 98 120 ALA . 5121 1 99 121 TYR . 5121 1 100 122 ALA . 5121 1 101 123 ASP . 5121 1 102 124 ILE . 5121 1 103 125 VAL . 5121 1 104 126 ARG . 5121 1 105 127 GLU . 5121 1 106 128 ARG . 5121 1 107 129 ALA . 5121 1 108 130 VAL . 5121 1 109 131 VAL . 5121 1 110 132 ARG . 5121 1 111 133 GLU . 5121 1 112 134 MET . 5121 1 113 135 ILE . 5121 1 114 136 SER . 5121 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 5121 1 . LYS 2 2 5121 1 . VAL 3 3 5121 1 . PRO 4 4 5121 1 . PRO 5 5 5121 1 . HIS 6 6 5121 1 . SER 7 7 5121 1 . ILE 8 8 5121 1 . GLU 9 9 5121 1 . ALA 10 10 5121 1 . GLU 11 11 5121 1 . GLN 12 12 5121 1 . SER 13 13 5121 1 . VAL 14 14 5121 1 . LEU 15 15 5121 1 . GLY 16 16 5121 1 . GLY 17 17 5121 1 . LEU 18 18 5121 1 . MET 19 19 5121 1 . LEU 20 20 5121 1 . ASP 21 21 5121 1 . ASN 22 22 5121 1 . GLU 23 23 5121 1 . ARG 24 24 5121 1 . TRP 25 25 5121 1 . ASP 26 26 5121 1 . ASP 27 27 5121 1 . VAL 28 28 5121 1 . ALA 29 29 5121 1 . GLU 30 30 5121 1 . ARG 31 31 5121 1 . VAL 32 32 5121 1 . VAL 33 33 5121 1 . ALA 34 34 5121 1 . ASP 35 35 5121 1 . ASP 36 36 5121 1 . PHE 37 37 5121 1 . TYR 38 38 5121 1 . THR 39 39 5121 1 . ARG 40 40 5121 1 . PRO 41 41 5121 1 . HIS 42 42 5121 1 . ARG 43 43 5121 1 . HIS 44 44 5121 1 . ILE 45 45 5121 1 . PHE 46 46 5121 1 . THR 47 47 5121 1 . GLU 48 48 5121 1 . MET 49 49 5121 1 . ALA 50 50 5121 1 . ARG 51 51 5121 1 . LEU 52 52 5121 1 . GLN 53 53 5121 1 . GLU 54 54 5121 1 . SER 55 55 5121 1 . GLY 56 56 5121 1 . SER 57 57 5121 1 . PRO 58 58 5121 1 . ILE 59 59 5121 1 . ASP 60 60 5121 1 . LEU 61 61 5121 1 . ILE 62 62 5121 1 . THR 63 63 5121 1 . LEU 64 64 5121 1 . ALA 65 65 5121 1 . GLU 66 66 5121 1 . SER 67 67 5121 1 . LEU 68 68 5121 1 . GLU 69 69 5121 1 . ARG 70 70 5121 1 . GLN 71 71 5121 1 . GLY 72 72 5121 1 . GLN 73 73 5121 1 . LEU 74 74 5121 1 . ASP 75 75 5121 1 . SER 76 76 5121 1 . VAL 77 77 5121 1 . GLY 78 78 5121 1 . GLY 79 79 5121 1 . PHE 80 80 5121 1 . ALA 81 81 5121 1 . TYR 82 82 5121 1 . LEU 83 83 5121 1 . ALA 84 84 5121 1 . GLU 85 85 5121 1 . LEU 86 86 5121 1 . SER 87 87 5121 1 . LYS 88 88 5121 1 . ASN 89 89 5121 1 . THR 90 90 5121 1 . PRO 91 91 5121 1 . SER 92 92 5121 1 . ALA 93 93 5121 1 . ALA 94 94 5121 1 . ASN 95 95 5121 1 . ILE 96 96 5121 1 . SER 97 97 5121 1 . ALA 98 98 5121 1 . TYR 99 99 5121 1 . ALA 100 100 5121 1 . ASP 101 101 5121 1 . ILE 102 102 5121 1 . VAL 103 103 5121 1 . ARG 104 104 5121 1 . GLU 105 105 5121 1 . ARG 106 106 5121 1 . ALA 107 107 5121 1 . VAL 108 108 5121 1 . VAL 109 109 5121 1 . ARG 110 110 5121 1 . GLU 111 111 5121 1 . MET 112 112 5121 1 . ILE 113 113 5121 1 . SER 114 114 5121 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 5121 _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 $DnaB(24-136) . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5121 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 5121 _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 $DnaB(24-136) . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5121 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5121 _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 'N-terminal Domain of E. coli DnaB Helicase' . . . 1 $DnaB(24-136) . . 0.6 . . mM . . . . 5121 1 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond_1 _Sample_condition_list.Entry_ID 5121 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.0 0.1 n/a 5121 1 temperature 304 1 K 5121 1 'ionic strength' 0.1 0.02 M 5121 1 stop_ save_ ############################ # Computer software used # ############################ save_Prosa _Software.Sf_category software _Software.Sf_framecode Prosa _Software.Entry_ID 5121 _Software.ID 1 _Software.Name Prosa _Software.Version 3.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing' 5121 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5121 _Software.ID 2 _Software.Name XEASY _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak analysis' 5121 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5121 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5121 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5121 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5121 _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_1 Varian INOVA . 800 . . . 5121 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5121 1 3 NMR_spectrometer_3 Bruker DMX . 500 . . . 5121 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 5121 _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 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5121 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5121 1 3 COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5121 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 5121 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 5121 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TOCSY _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 5121 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name COSY _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 5121 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 internal cylindrical parallel . . . . . . 5121 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5121 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-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 . 5121 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 2 2 LYS HA H 1 4.222 0.02 . 1 . . . . 24 . . . 5121 1 2 . 1 1 2 2 LYS HB2 H 1 1.698 0.02 . 2 . . . . 24 . . . 5121 1 3 . 1 1 2 2 LYS HB3 H 1 1.795 0.02 . 2 . . . . 24 . . . 5121 1 4 . 1 1 2 2 LYS HG2 H 1 1.407 0.02 . 2 . . . . 24 . . . 5121 1 5 . 1 1 2 2 LYS HG3 H 1 1.356 0.02 . 2 . . . . 24 . . . 5121 1 6 . 1 1 2 2 LYS HD2 H 1 1.640 0.02 . 1 . . . . 24 . . . 5121 1 7 . 1 1 2 2 LYS HD3 H 1 1.640 0.02 . 1 . . . . 24 . . . 5121 1 8 . 1 1 2 2 LYS HE2 H 1 2.940 0.02 . 1 . . . . 24 . . . 5121 1 9 . 1 1 2 2 LYS HE3 H 1 2.940 0.02 . 1 . . . . 24 . . . 5121 1 10 . 1 1 3 3 VAL H H 1 7.787 0.02 . 1 . . . . 25 . . . 5121 1 11 . 1 1 3 3 VAL HA H 1 4.391 0.02 . 1 . . . . 25 . . . 5121 1 12 . 1 1 3 3 VAL HB H 1 1.993 0.02 . 1 . . . . 25 . . . 5121 1 13 . 1 1 3 3 VAL HG11 H 1 0.976 0.02 . 1 . . . . 25 . . . 5121 1 14 . 1 1 3 3 VAL HG12 H 1 0.976 0.02 . 1 . . . . 25 . . . 5121 1 15 . 1 1 3 3 VAL HG13 H 1 0.976 0.02 . 1 . . . . 25 . . . 5121 1 16 . 1 1 3 3 VAL HG21 H 1 0.921 0.02 . 1 . . . . 25 . . . 5121 1 17 . 1 1 3 3 VAL HG22 H 1 0.921 0.02 . 1 . . . . 25 . . . 5121 1 18 . 1 1 3 3 VAL HG23 H 1 0.921 0.02 . 1 . . . . 25 . . . 5121 1 19 . 1 1 4 4 PRO HA H 1 4.601 0.02 . 1 . . . . 26 . . . 5121 1 20 . 1 1 4 4 PRO HB2 H 1 1.551 0.02 . 2 . . . . 26 . . . 5121 1 21 . 1 1 4 4 PRO HB3 H 1 2.260 0.02 . 2 . . . . 26 . . . 5121 1 22 . 1 1 4 4 PRO HG2 H 1 1.991 0.02 . 2 . . . . 26 . . . 5121 1 23 . 1 1 4 4 PRO HG3 H 1 2.104 0.02 . 2 . . . . 26 . . . 5121 1 24 . 1 1 4 4 PRO HD2 H 1 3.604 0.02 . 2 . . . . 26 . . . 5121 1 25 . 1 1 4 4 PRO HD3 H 1 3.920 0.02 . 2 . . . . 26 . . . 5121 1 26 . 1 1 5 5 PRO HA H 1 4.371 0.02 . 1 . . . . 27 . . . 5121 1 27 . 1 1 5 5 PRO HB2 H 1 1.951 0.02 . 2 . . . . 27 . . . 5121 1 28 . 1 1 5 5 PRO HB3 H 1 2.141 0.02 . 2 . . . . 27 . . . 5121 1 29 . 1 1 5 5 PRO HG2 H 1 1.910 0.02 . 2 . . . . 27 . . . 5121 1 30 . 1 1 5 5 PRO HG3 H 1 1.990 0.02 . 2 . . . . 27 . . . 5121 1 31 . 1 1 5 5 PRO HD2 H 1 3.396 0.02 . 2 . . . . 27 . . . 5121 1 32 . 1 1 5 5 PRO HD3 H 1 3.870 0.02 . 2 . . . . 27 . . . 5121 1 33 . 1 1 6 6 HIS H H 1 7.825 0.02 . 1 . . . . 28 . . . 5121 1 34 . 1 1 6 6 HIS HA H 1 4.200 0.02 . 1 . . . . 28 . . . 5121 1 35 . 1 1 6 6 HIS HB2 H 1 2.849 0.02 . 2 . . . . 28 . . . 5121 1 36 . 1 1 6 6 HIS HB3 H 1 2.667 0.02 . 2 . . . . 28 . . . 5121 1 37 . 1 1 6 6 HIS HD2 H 1 6.401 0.02 . 1 . . . . 28 . . . 5121 1 38 . 1 1 6 6 HIS HE1 H 1 7.431 0.02 . 1 . . . . 28 . . . 5121 1 39 . 1 1 7 7 SER H H 1 10.122 0.02 . 1 . . . . 29 . . . 5121 1 40 . 1 1 7 7 SER HA H 1 4.716 0.02 . 1 . . . . 29 . . . 5121 1 41 . 1 1 7 7 SER HB2 H 1 3.655 0.02 . 2 . . . . 29 . . . 5121 1 42 . 1 1 7 7 SER HB3 H 1 3.686 0.02 . 2 . . . . 29 . . . 5121 1 43 . 1 1 8 8 ILE H H 1 9.099 0.02 . 1 . . . . 30 . . . 5121 1 44 . 1 1 8 8 ILE HA H 1 4.005 0.02 . 1 . . . . 30 . . . 5121 1 45 . 1 1 8 8 ILE HB H 1 2.050 0.02 . 1 . . . . 30 . . . 5121 1 46 . 1 1 8 8 ILE HG21 H 1 1.014 0.02 . 1 . . . . 30 . . . 5121 1 47 . 1 1 8 8 ILE HG22 H 1 1.014 0.02 . 1 . . . . 30 . . . 5121 1 48 . 1 1 8 8 ILE HG23 H 1 1.014 0.02 . 1 . . . . 30 . . . 5121 1 49 . 1 1 8 8 ILE HG12 H 1 1.581 0.02 . 2 . . . . 30 . . . 5121 1 50 . 1 1 8 8 ILE HG13 H 1 1.656 0.02 . 2 . . . . 30 . . . 5121 1 51 . 1 1 8 8 ILE HD11 H 1 0.978 0.02 . 1 . . . . 30 . . . 5121 1 52 . 1 1 8 8 ILE HD12 H 1 0.978 0.02 . 1 . . . . 30 . . . 5121 1 53 . 1 1 8 8 ILE HD13 H 1 0.978 0.02 . 1 . . . . 30 . . . 5121 1 54 . 1 1 9 9 GLU H H 1 8.879 0.02 . 1 . . . . 31 . . . 5121 1 55 . 1 1 9 9 GLU HA H 1 4.102 0.02 . 1 . . . . 31 . . . 5121 1 56 . 1 1 9 9 GLU HB2 H 1 1.961 0.02 . 2 . . . . 31 . . . 5121 1 57 . 1 1 9 9 GLU HB3 H 1 1.880 0.02 . 2 . . . . 31 . . . 5121 1 58 . 1 1 9 9 GLU HG2 H 1 2.240 0.02 . 1 . . . . 31 . . . 5121 1 59 . 1 1 9 9 GLU HG3 H 1 2.240 0.02 . 1 . . . . 31 . . . 5121 1 60 . 1 1 10 10 ALA H H 1 8.010 0.02 . 1 . . . . 32 . . . 5121 1 61 . 1 1 10 10 ALA HA H 1 3.787 0.02 . 1 . . . . 32 . . . 5121 1 62 . 1 1 10 10 ALA HB1 H 1 1.633 0.02 . 1 . . . . 32 . . . 5121 1 63 . 1 1 10 10 ALA HB2 H 1 1.633 0.02 . 1 . . . . 32 . . . 5121 1 64 . 1 1 10 10 ALA HB3 H 1 1.633 0.02 . 1 . . . . 32 . . . 5121 1 65 . 1 1 11 11 GLU H H 1 7.891 0.02 . 1 . . . . 33 . . . 5121 1 66 . 1 1 11 11 GLU HA H 1 3.761 0.02 . 1 . . . . 33 . . . 5121 1 67 . 1 1 11 11 GLU HB2 H 1 2.477 0.02 . 2 . . . . 33 . . . 5121 1 68 . 1 1 11 11 GLU HB3 H 1 2.280 0.02 . 2 . . . . 33 . . . 5121 1 69 . 1 1 11 11 GLU HG2 H 1 3.273 0.02 . 2 . . . . 33 . . . 5121 1 70 . 1 1 11 11 GLU HG3 H 1 2.255 0.02 . 2 . . . . 33 . . . 5121 1 71 . 1 1 12 12 GLN H H 1 8.627 0.02 . 1 . . . . 34 . . . 5121 1 72 . 1 1 12 12 GLN HA H 1 3.543 0.02 . 1 . . . . 34 . . . 5121 1 73 . 1 1 12 12 GLN HB2 H 1 2.290 0.02 . 1 . . . . 34 . . . 5121 1 74 . 1 1 12 12 GLN HB3 H 1 1.798 0.02 . 1 . . . . 34 . . . 5121 1 75 . 1 1 12 12 GLN HG2 H 1 2.239 0.02 . 1 . . . . 34 . . . 5121 1 76 . 1 1 12 12 GLN HG3 H 1 3.001 0.02 . 1 . . . . 34 . . . 5121 1 77 . 1 1 12 12 GLN HE21 H 1 7.154 0.02 . 2 . . . . 34 . . . 5121 1 78 . 1 1 12 12 GLN HE22 H 1 7.804 0.02 . 2 . . . . 34 . . . 5121 1 79 . 1 1 13 13 SER H H 1 7.864 0.02 . 1 . . . . 35 . . . 5121 1 80 . 1 1 13 13 SER HA H 1 4.121 0.02 . 1 . . . . 35 . . . 5121 1 81 . 1 1 13 13 SER HB2 H 1 3.235 0.02 . 1 . . . . 35 . . . 5121 1 82 . 1 1 13 13 SER HB3 H 1 3.122 0.02 . 1 . . . . 35 . . . 5121 1 83 . 1 1 14 14 VAL H H 1 7.985 0.02 . 1 . . . . 36 . . . 5121 1 84 . 1 1 14 14 VAL HA H 1 3.654 0.02 . 1 . . . . 36 . . . 5121 1 85 . 1 1 14 14 VAL HB H 1 2.260 0.02 . 1 . . . . 36 . . . 5121 1 86 . 1 1 14 14 VAL HG11 H 1 1.028 0.02 . 1 . . . . 36 . . . 5121 1 87 . 1 1 14 14 VAL HG12 H 1 1.028 0.02 . 1 . . . . 36 . . . 5121 1 88 . 1 1 14 14 VAL HG13 H 1 1.028 0.02 . 1 . . . . 36 . . . 5121 1 89 . 1 1 14 14 VAL HG21 H 1 1.051 0.02 . 1 . . . . 36 . . . 5121 1 90 . 1 1 14 14 VAL HG22 H 1 1.051 0.02 . 1 . . . . 36 . . . 5121 1 91 . 1 1 14 14 VAL HG23 H 1 1.051 0.02 . 1 . . . . 36 . . . 5121 1 92 . 1 1 15 15 LEU H H 1 7.674 0.02 . 1 . . . . 37 . . . 5121 1 93 . 1 1 15 15 LEU HA H 1 4.024 0.02 . 1 . . . . 37 . . . 5121 1 94 . 1 1 15 15 LEU HB2 H 1 1.715 0.02 . 1 . . . . 37 . . . 5121 1 95 . 1 1 15 15 LEU HB3 H 1 1.051 0.02 . 1 . . . . 37 . . . 5121 1 96 . 1 1 15 15 LEU HG H 1 1.980 0.02 . 1 . . . . 37 . . . 5121 1 97 . 1 1 15 15 LEU HD11 H 1 0.428 0.02 . 1 . . . . 37 . . . 5121 1 98 . 1 1 15 15 LEU HD12 H 1 0.428 0.02 . 1 . . . . 37 . . . 5121 1 99 . 1 1 15 15 LEU HD13 H 1 0.428 0.02 . 1 . . . . 37 . . . 5121 1 100 . 1 1 15 15 LEU HD21 H 1 0.778 0.02 . 1 . . . . 37 . . . 5121 1 101 . 1 1 15 15 LEU HD22 H 1 0.778 0.02 . 1 . . . . 37 . . . 5121 1 102 . 1 1 15 15 LEU HD23 H 1 0.778 0.02 . 1 . . . . 37 . . . 5121 1 103 . 1 1 16 16 GLY H H 1 8.800 0.02 . 1 . . . . 38 . . . 5121 1 104 . 1 1 16 16 GLY HA2 H 1 3.481 0.02 . 1 . . . . 38 . . . 5121 1 105 . 1 1 16 16 GLY HA3 H 1 3.859 0.02 . 1 . . . . 38 . . . 5121 1 106 . 1 1 17 17 GLY H H 1 8.046 0.02 . 1 . . . . 39 . . . 5121 1 107 . 1 1 17 17 GLY HA2 H 1 3.738 0.02 . 1 . . . . 39 . . . 5121 1 108 . 1 1 17 17 GLY HA3 H 1 3.738 0.02 . 1 . . . . 39 . . . 5121 1 109 . 1 1 18 18 LEU H H 1 7.915 0.02 . 1 . . . . 40 . . . 5121 1 110 . 1 1 18 18 LEU HA H 1 4.132 0.02 . 1 . . . . 40 . . . 5121 1 111 . 1 1 18 18 LEU HB2 H 1 2.118 0.02 . 1 . . . . 40 . . . 5121 1 112 . 1 1 18 18 LEU HB3 H 1 1.471 0.02 . 1 . . . . 40 . . . 5121 1 113 . 1 1 18 18 LEU HG H 1 2.051 0.02 . 1 . . . . 40 . . . 5121 1 114 . 1 1 18 18 LEU HD11 H 1 1.177 0.02 . 1 . . . . 40 . . . 5121 1 115 . 1 1 18 18 LEU HD12 H 1 1.177 0.02 . 1 . . . . 40 . . . 5121 1 116 . 1 1 18 18 LEU HD13 H 1 1.177 0.02 . 1 . . . . 40 . . . 5121 1 117 . 1 1 18 18 LEU HD21 H 1 0.966 0.02 . 1 . . . . 40 . . . 5121 1 118 . 1 1 18 18 LEU HD22 H 1 0.966 0.02 . 1 . . . . 40 . . . 5121 1 119 . 1 1 18 18 LEU HD23 H 1 0.966 0.02 . 1 . . . . 40 . . . 5121 1 120 . 1 1 19 19 MET H H 1 7.280 0.02 . 1 . . . . 41 . . . 5121 1 121 . 1 1 19 19 MET HA H 1 4.191 0.02 . 1 . . . . 41 . . . 5121 1 122 . 1 1 19 19 MET HB2 H 1 2.250 0.02 . 1 . . . . 41 . . . 5121 1 123 . 1 1 19 19 MET HB3 H 1 1.926 0.02 . 1 . . . . 41 . . . 5121 1 124 . 1 1 19 19 MET HG2 H 1 2.640 0.02 . 1 . . . . 41 . . . 5121 1 125 . 1 1 19 19 MET HG3 H 1 2.640 0.02 . 1 . . . . 41 . . . 5121 1 126 . 1 1 20 20 LEU H H 1 7.280 0.02 . 1 . . . . 42 . . . 5121 1 127 . 1 1 20 20 LEU HA H 1 4.215 0.02 . 1 . . . . 42 . . . 5121 1 128 . 1 1 20 20 LEU HB2 H 1 1.799 0.02 . 2 . . . . 42 . . . 5121 1 129 . 1 1 20 20 LEU HB3 H 1 1.700 0.02 . 2 . . . . 42 . . . 5121 1 130 . 1 1 20 20 LEU HG H 1 1.730 0.02 . 1 . . . . 42 . . . 5121 1 131 . 1 1 20 20 LEU HD11 H 1 0.923 0.02 . 1 . . . . 42 . . . 5121 1 132 . 1 1 20 20 LEU HD12 H 1 0.923 0.02 . 1 . . . . 42 . . . 5121 1 133 . 1 1 20 20 LEU HD13 H 1 0.923 0.02 . 1 . . . . 42 . . . 5121 1 134 . 1 1 20 20 LEU HD21 H 1 0.881 0.02 . 1 . . . . 42 . . . 5121 1 135 . 1 1 20 20 LEU HD22 H 1 0.881 0.02 . 1 . . . . 42 . . . 5121 1 136 . 1 1 20 20 LEU HD23 H 1 0.881 0.02 . 1 . . . . 42 . . . 5121 1 137 . 1 1 21 21 ASP H H 1 8.090 0.02 . 1 . . . . 43 . . . 5121 1 138 . 1 1 21 21 ASP HA H 1 4.901 0.02 . 1 . . . . 43 . . . 5121 1 139 . 1 1 21 21 ASP HB2 H 1 2.348 0.02 . 1 . . . . 43 . . . 5121 1 140 . 1 1 21 21 ASP HB3 H 1 2.856 0.02 . 1 . . . . 43 . . . 5121 1 141 . 1 1 22 22 ASN H H 1 9.088 0.02 . 1 . . . . 44 . . . 5121 1 142 . 1 1 22 22 ASN HA H 1 4.530 0.02 . 1 . . . . 44 . . . 5121 1 143 . 1 1 22 22 ASN HB2 H 1 2.891 0.02 . 1 . . . . 44 . . . 5121 1 144 . 1 1 22 22 ASN HB3 H 1 2.891 0.02 . 1 . . . . 44 . . . 5121 1 145 . 1 1 22 22 ASN HD21 H 1 6.085 0.02 . 2 . . . . 44 . . . 5121 1 146 . 1 1 22 22 ASN HD22 H 1 8.099 0.02 . 2 . . . . 44 . . . 5121 1 147 . 1 1 23 23 GLU H H 1 8.323 0.02 . 1 . . . . 45 . . . 5121 1 148 . 1 1 23 23 GLU HA H 1 4.239 0.02 . 1 . . . . 45 . . . 5121 1 149 . 1 1 23 23 GLU HB2 H 1 2.221 0.02 . 1 . . . . 45 . . . 5121 1 150 . 1 1 23 23 GLU HB3 H 1 2.221 0.02 . 1 . . . . 45 . . . 5121 1 151 . 1 1 23 23 GLU HG2 H 1 2.338 0.02 . 2 . . . . 45 . . . 5121 1 152 . 1 1 23 23 GLU HG3 H 1 2.358 0.02 . 2 . . . . 45 . . . 5121 1 153 . 1 1 24 24 ARG H H 1 7.570 0.02 . 1 . . . . 46 . . . 5121 1 154 . 1 1 24 24 ARG HA H 1 4.490 0.02 . 1 . . . . 46 . . . 5121 1 155 . 1 1 24 24 ARG HB2 H 1 1.971 0.02 . 1 . . . . 46 . . . 5121 1 156 . 1 1 24 24 ARG HB3 H 1 2.201 0.02 . 1 . . . . 46 . . . 5121 1 157 . 1 1 24 24 ARG HG2 H 1 1.730 0.02 . 2 . . . . 46 . . . 5121 1 158 . 1 1 24 24 ARG HG3 H 1 1.771 0.02 . 2 . . . . 46 . . . 5121 1 159 . 1 1 24 24 ARG HD2 H 1 3.221 0.02 . 1 . . . . 46 . . . 5121 1 160 . 1 1 24 24 ARG HD3 H 1 3.221 0.02 . 1 . . . . 46 . . . 5121 1 161 . 1 1 24 24 ARG HE H 1 7.591 0.02 . 1 . . . . 46 . . . 5121 1 162 . 1 1 25 25 TRP H H 1 7.694 0.02 . 1 . . . . 47 . . . 5121 1 163 . 1 1 25 25 TRP HA H 1 3.967 0.02 . 1 . . . . 47 . . . 5121 1 164 . 1 1 25 25 TRP HB2 H 1 3.337 0.02 . 1 . . . . 47 . . . 5121 1 165 . 1 1 25 25 TRP HB3 H 1 3.113 0.02 . 1 . . . . 47 . . . 5121 1 166 . 1 1 25 25 TRP HD1 H 1 7.032 0.02 . 1 . . . . 47 . . . 5121 1 167 . 1 1 25 25 TRP HE1 H 1 9.769 0.02 . 1 . . . . 47 . . . 5121 1 168 . 1 1 25 25 TRP HE3 H 1 7.215 0.02 . 1 . . . . 47 . . . 5121 1 169 . 1 1 25 25 TRP HZ2 H 1 7.141 0.02 . 1 . . . . 47 . . . 5121 1 170 . 1 1 25 25 TRP HZ3 H 1 6.395 0.02 . 1 . . . . 47 . . . 5121 1 171 . 1 1 25 25 TRP HH2 H 1 5.873 0.02 . 1 . . . . 47 . . . 5121 1 172 . 1 1 26 26 ASP H H 1 8.320 0.02 . 1 . . . . 48 . . . 5121 1 173 . 1 1 26 26 ASP HA H 1 4.030 0.02 . 1 . . . . 48 . . . 5121 1 174 . 1 1 26 26 ASP HB2 H 1 2.662 0.02 . 1 . . . . 48 . . . 5121 1 175 . 1 1 26 26 ASP HB3 H 1 2.606 0.02 . 1 . . . . 48 . . . 5121 1 176 . 1 1 27 27 ASP H H 1 7.756 0.02 . 1 . . . . 49 . . . 5121 1 177 . 1 1 27 27 ASP HA H 1 4.224 0.02 . 1 . . . . 49 . . . 5121 1 178 . 1 1 27 27 ASP HB2 H 1 2.707 0.02 . 2 . . . . 49 . . . 5121 1 179 . 1 1 27 27 ASP HB3 H 1 2.542 0.02 . 2 . . . . 49 . . . 5121 1 180 . 1 1 28 28 VAL H H 1 7.575 0.02 . 1 . . . . 50 . . . 5121 1 181 . 1 1 28 28 VAL HA H 1 3.337 0.02 . 1 . . . . 50 . . . 5121 1 182 . 1 1 28 28 VAL HB H 1 1.850 0.02 . 1 . . . . 50 . . . 5121 1 183 . 1 1 28 28 VAL HG11 H 1 0.765 0.02 . 1 . . . . 50 . . . 5121 1 184 . 1 1 28 28 VAL HG12 H 1 0.765 0.02 . 1 . . . . 50 . . . 5121 1 185 . 1 1 28 28 VAL HG13 H 1 0.765 0.02 . 1 . . . . 50 . . . 5121 1 186 . 1 1 28 28 VAL HG21 H 1 0.867 0.02 . 1 . . . . 50 . . . 5121 1 187 . 1 1 28 28 VAL HG22 H 1 0.867 0.02 . 1 . . . . 50 . . . 5121 1 188 . 1 1 28 28 VAL HG23 H 1 0.867 0.02 . 1 . . . . 50 . . . 5121 1 189 . 1 1 29 29 ALA H H 1 8.760 0.02 . 1 . . . . 51 . . . 5121 1 190 . 1 1 29 29 ALA HA H 1 4.023 0.02 . 1 . . . . 51 . . . 5121 1 191 . 1 1 29 29 ALA HB1 H 1 0.794 0.02 . 1 . . . . 51 . . . 5121 1 192 . 1 1 29 29 ALA HB2 H 1 0.794 0.02 . 1 . . . . 51 . . . 5121 1 193 . 1 1 29 29 ALA HB3 H 1 0.794 0.02 . 1 . . . . 51 . . . 5121 1 194 . 1 1 30 30 GLU H H 1 7.162 0.02 . 1 . . . . 52 . . . 5121 1 195 . 1 1 30 30 GLU HA H 1 4.191 0.02 . 1 . . . . 52 . . . 5121 1 196 . 1 1 30 30 GLU HB2 H 1 2.030 0.02 . 1 . . . . 52 . . . 5121 1 197 . 1 1 30 30 GLU HB3 H 1 2.030 0.02 . 1 . . . . 52 . . . 5121 1 198 . 1 1 30 30 GLU HG2 H 1 2.291 0.02 . 2 . . . . 52 . . . 5121 1 199 . 1 1 30 30 GLU HG3 H 1 2.331 0.02 . 2 . . . . 52 . . . 5121 1 200 . 1 1 31 31 ARG H H 1 7.810 0.02 . 1 . . . . 53 . . . 5121 1 201 . 1 1 31 31 ARG HA H 1 4.259 0.02 . 1 . . . . 53 . . . 5121 1 202 . 1 1 31 31 ARG HB2 H 1 1.632 0.02 . 2 . . . . 53 . . . 5121 1 203 . 1 1 31 31 ARG HB3 H 1 1.566 0.02 . 2 . . . . 53 . . . 5121 1 204 . 1 1 32 32 VAL H H 1 7.614 0.02 . 1 . . . . 54 . . . 5121 1 205 . 1 1 32 32 VAL HA H 1 4.763 0.02 . 1 . . . . 54 . . . 5121 1 206 . 1 1 32 32 VAL HB H 1 1.830 0.02 . 1 . . . . 54 . . . 5121 1 207 . 1 1 32 32 VAL HG11 H 1 0.554 0.02 . 1 . . . . 54 . . . 5121 1 208 . 1 1 32 32 VAL HG12 H 1 0.554 0.02 . 1 . . . . 54 . . . 5121 1 209 . 1 1 32 32 VAL HG13 H 1 0.554 0.02 . 1 . . . . 54 . . . 5121 1 210 . 1 1 32 32 VAL HG21 H 1 0.537 0.02 . 1 . . . . 54 . . . 5121 1 211 . 1 1 32 32 VAL HG22 H 1 0.537 0.02 . 1 . . . . 54 . . . 5121 1 212 . 1 1 32 32 VAL HG23 H 1 0.537 0.02 . 1 . . . . 54 . . . 5121 1 213 . 1 1 33 33 VAL H H 1 8.298 0.02 . 1 . . . . 55 . . . 5121 1 214 . 1 1 33 33 VAL HA H 1 4.635 0.02 . 1 . . . . 55 . . . 5121 1 215 . 1 1 33 33 VAL HB H 1 2.411 0.02 . 1 . . . . 55 . . . 5121 1 216 . 1 1 33 33 VAL HG11 H 1 0.930 0.02 . 1 . . . . 55 . . . 5121 1 217 . 1 1 33 33 VAL HG12 H 1 0.930 0.02 . 1 . . . . 55 . . . 5121 1 218 . 1 1 33 33 VAL HG13 H 1 0.930 0.02 . 1 . . . . 55 . . . 5121 1 219 . 1 1 33 33 VAL HG21 H 1 0.731 0.02 . 1 . . . . 55 . . . 5121 1 220 . 1 1 33 33 VAL HG22 H 1 0.731 0.02 . 1 . . . . 55 . . . 5121 1 221 . 1 1 33 33 VAL HG23 H 1 0.731 0.02 . 1 . . . . 55 . . . 5121 1 222 . 1 1 34 34 ALA H H 1 8.976 0.02 . 1 . . . . 56 . . . 5121 1 223 . 1 1 34 34 ALA HA H 1 3.917 0.02 . 1 . . . . 56 . . . 5121 1 224 . 1 1 34 34 ALA HB1 H 1 1.604 0.02 . 1 . . . . 56 . . . 5121 1 225 . 1 1 34 34 ALA HB2 H 1 1.604 0.02 . 1 . . . . 56 . . . 5121 1 226 . 1 1 34 34 ALA HB3 H 1 1.604 0.02 . 1 . . . . 56 . . . 5121 1 227 . 1 1 35 35 ASP H H 1 8.019 0.02 . 1 . . . . 57 . . . 5121 1 228 . 1 1 35 35 ASP HA H 1 4.311 0.02 . 1 . . . . 57 . . . 5121 1 229 . 1 1 35 35 ASP HB2 H 1 2.348 0.02 . 1 . . . . 57 . . . 5121 1 230 . 1 1 35 35 ASP HB3 H 1 2.688 0.02 . 1 . . . . 57 . . . 5121 1 231 . 1 1 36 36 ASP H H 1 7.924 0.02 . 1 . . . . 58 . . . 5121 1 232 . 1 1 36 36 ASP HA H 1 4.249 0.02 . 1 . . . . 58 . . . 5121 1 233 . 1 1 36 36 ASP HB2 H 1 2.541 0.02 . 1 . . . . 58 . . . 5121 1 234 . 1 1 36 36 ASP HB3 H 1 2.168 0.02 . 1 . . . . 58 . . . 5121 1 235 . 1 1 37 37 PHE H H 1 7.820 0.02 . 1 . . . . 59 . . . 5121 1 236 . 1 1 37 37 PHE HA H 1 3.989 0.02 . 1 . . . . 59 . . . 5121 1 237 . 1 1 37 37 PHE HB2 H 1 3.166 0.02 . 1 . . . . 59 . . . 5121 1 238 . 1 1 37 37 PHE HB3 H 1 2.879 0.02 . 1 . . . . 59 . . . 5121 1 239 . 1 1 37 37 PHE HD1 H 1 7.410 0.02 . 1 . . . . 59 . . . 5121 1 240 . 1 1 37 37 PHE HD2 H 1 7.410 0.02 . 1 . . . . 59 . . . 5121 1 241 . 1 1 37 37 PHE HE1 H 1 6.386 0.02 . 1 . . . . 59 . . . 5121 1 242 . 1 1 37 37 PHE HE2 H 1 6.386 0.02 . 1 . . . . 59 . . . 5121 1 243 . 1 1 37 37 PHE HZ H 1 6.580 0.02 . 1 . . . . 59 . . . 5121 1 244 . 1 1 38 38 TYR H H 1 11.89 0.02 . 1 . . . . 60 . . . 5121 1 245 . 1 1 38 38 TYR HA H 1 4.193 0.02 . 1 . . . . 60 . . . 5121 1 246 . 1 1 38 38 TYR HB2 H 1 3.052 0.02 . 1 . . . . 60 . . . 5121 1 247 . 1 1 38 38 TYR HB3 H 1 2.983 0.02 . 1 . . . . 60 . . . 5121 1 248 . 1 1 38 38 TYR HD1 H 1 6.574 0.02 . 1 . . . . 60 . . . 5121 1 249 . 1 1 38 38 TYR HD2 H 1 6.574 0.02 . 1 . . . . 60 . . . 5121 1 250 . 1 1 38 38 TYR HE1 H 1 6.425 0.02 . 1 . . . . 60 . . . 5121 1 251 . 1 1 38 38 TYR HE2 H 1 6.425 0.02 . 1 . . . . 60 . . . 5121 1 252 . 1 1 39 39 THR H H 1 7.528 0.02 . 1 . . . . 61 . . . 5121 1 253 . 1 1 39 39 THR HA H 1 4.243 0.02 . 1 . . . . 61 . . . 5121 1 254 . 1 1 39 39 THR HB H 1 4.070 0.02 . 1 . . . . 61 . . . 5121 1 255 . 1 1 39 39 THR HG21 H 1 0.960 0.02 . 1 . . . . 61 . . . 5121 1 256 . 1 1 39 39 THR HG22 H 1 0.960 0.02 . 1 . . . . 61 . . . 5121 1 257 . 1 1 39 39 THR HG23 H 1 0.960 0.02 . 1 . . . . 61 . . . 5121 1 258 . 1 1 40 40 ARG H H 1 8.939 0.02 . 1 . . . . 62 . . . 5121 1 259 . 1 1 40 40 ARG HA H 1 3.885 0.02 . 1 . . . . 62 . . . 5121 1 260 . 1 1 40 40 ARG HB2 H 1 1.470 0.02 . 2 . . . . 62 . . . 5121 1 261 . 1 1 40 40 ARG HB3 H 1 1.818 0.02 . 2 . . . . 62 . . . 5121 1 262 . 1 1 40 40 ARG HD2 H 1 3.125 0.02 . 2 . . . . 62 . . . 5121 1 263 . 1 1 40 40 ARG HD3 H 1 3.153 0.02 . 2 . . . . 62 . . . 5121 1 264 . 1 1 41 41 PRO HA H 1 4.438 0.02 . 1 . . . . 63 . . . 5121 1 265 . 1 1 41 41 PRO HB2 H 1 1.539 0.02 . 2 . . . . 63 . . . 5121 1 266 . 1 1 41 41 PRO HB3 H 1 2.300 0.02 . 2 . . . . 63 . . . 5121 1 267 . 1 1 41 41 PRO HG2 H 1 1.810 0.02 . 2 . . . . 63 . . . 5121 1 268 . 1 1 41 41 PRO HG3 H 1 1.792 0.02 . 2 . . . . 63 . . . 5121 1 269 . 1 1 41 41 PRO HD2 H 1 3.600 0.02 . 2 . . . . 63 . . . 5121 1 270 . 1 1 41 41 PRO HD3 H 1 3.570 0.02 . 2 . . . . 63 . . . 5121 1 271 . 1 1 42 42 HIS H H 1 7.187 0.02 . 1 . . . . 64 . . . 5121 1 272 . 1 1 42 42 HIS HA H 1 4.306 0.02 . 1 . . . . 64 . . . 5121 1 273 . 1 1 42 42 HIS HB2 H 1 3.552 0.02 . 1 . . . . 64 . . . 5121 1 274 . 1 1 42 42 HIS HB3 H 1 3.009 0.02 . 1 . . . . 64 . . . 5121 1 275 . 1 1 42 42 HIS HD2 H 1 6.491 0.02 . 1 . . . . 64 . . . 5121 1 276 . 1 1 42 42 HIS HE1 H 1 7.660 0.02 . 1 . . . . 64 . . . 5121 1 277 . 1 1 42 42 HIS HD1 H 1 14.92 0.02 . 1 . . . . 64 . . . 5121 1 278 . 1 1 43 43 ARG H H 1 8.013 0.02 . 1 . . . . 65 . . . 5121 1 279 . 1 1 43 43 ARG HA H 1 3.867 0.02 . 1 . . . . 65 . . . 5121 1 280 . 1 1 43 43 ARG HB2 H 1 1.930 0.02 . 2 . . . . 65 . . . 5121 1 281 . 1 1 43 43 ARG HB3 H 1 1.791 0.02 . 2 . . . . 65 . . . 5121 1 282 . 1 1 43 43 ARG HG2 H 1 2.048 0.02 . 2 . . . . 65 . . . 5121 1 283 . 1 1 43 43 ARG HG3 H 1 1.781 0.02 . 2 . . . . 65 . . . 5121 1 284 . 1 1 43 43 ARG HD2 H 1 3.025 0.02 . 2 . . . . 65 . . . 5121 1 285 . 1 1 43 43 ARG HD3 H 1 3.241 0.02 . 2 . . . . 65 . . . 5121 1 286 . 1 1 44 44 HIS H H 1 8.173 0.02 . 1 . . . . 66 . . . 5121 1 287 . 1 1 44 44 HIS HA H 1 4.263 0.02 . 1 . . . . 66 . . . 5121 1 288 . 1 1 44 44 HIS HB2 H 1 3.051 0.02 . 2 . . . . 66 . . . 5121 1 289 . 1 1 44 44 HIS HB3 H 1 3.120 0.02 . 2 . . . . 66 . . . 5121 1 290 . 1 1 45 45 ILE H H 1 8.635 0.02 . 1 . . . . 67 . . . 5121 1 291 . 1 1 45 45 ILE HA H 1 3.443 0.02 . 1 . . . . 67 . . . 5121 1 292 . 1 1 45 45 ILE HB H 1 1.859 0.02 . 1 . . . . 67 . . . 5121 1 293 . 1 1 45 45 ILE HG21 H 1 0.935 0.02 . 1 . . . . 67 . . . 5121 1 294 . 1 1 45 45 ILE HG22 H 1 0.935 0.02 . 1 . . . . 67 . . . 5121 1 295 . 1 1 45 45 ILE HG23 H 1 0.935 0.02 . 1 . . . . 67 . . . 5121 1 296 . 1 1 45 45 ILE HG12 H 1 0.690 0.02 . 1 . . . . 67 . . . 5121 1 297 . 1 1 45 45 ILE HG13 H 1 2.216 0.02 . 1 . . . . 67 . . . 5121 1 298 . 1 1 45 45 ILE HD11 H 1 0.940 0.02 . 1 . . . . 67 . . . 5121 1 299 . 1 1 45 45 ILE HD12 H 1 0.940 0.02 . 1 . . . . 67 . . . 5121 1 300 . 1 1 45 45 ILE HD13 H 1 0.940 0.02 . 1 . . . . 67 . . . 5121 1 301 . 1 1 46 46 PHE H H 1 8.403 0.02 . 1 . . . . 68 . . . 5121 1 302 . 1 1 46 46 PHE HA H 1 3.992 0.02 . 1 . . . . 68 . . . 5121 1 303 . 1 1 46 46 PHE HB2 H 1 2.407 0.02 . 1 . . . . 68 . . . 5121 1 304 . 1 1 46 46 PHE HB3 H 1 2.650 0.02 . 1 . . . . 68 . . . 5121 1 305 . 1 1 46 46 PHE HD1 H 1 6.877 0.02 . 1 . . . . 68 . . . 5121 1 306 . 1 1 46 46 PHE HD2 H 1 6.877 0.02 . 1 . . . . 68 . . . 5121 1 307 . 1 1 46 46 PHE HE1 H 1 7.046 0.02 . 1 . . . . 68 . . . 5121 1 308 . 1 1 46 46 PHE HE2 H 1 7.046 0.02 . 1 . . . . 68 . . . 5121 1 309 . 1 1 46 46 PHE HZ H 1 6.708 0.02 . 1 . . . . 68 . . . 5121 1 310 . 1 1 47 47 THR H H 1 8.192 0.02 . 1 . . . . 69 . . . 5121 1 311 . 1 1 47 47 THR HA H 1 3.915 0.02 . 1 . . . . 69 . . . 5121 1 312 . 1 1 47 47 THR HB H 1 4.301 0.02 . 1 . . . . 69 . . . 5121 1 313 . 1 1 47 47 THR HG21 H 1 1.222 0.02 . 1 . . . . 69 . . . 5121 1 314 . 1 1 47 47 THR HG22 H 1 1.222 0.02 . 1 . . . . 69 . . . 5121 1 315 . 1 1 47 47 THR HG23 H 1 1.222 0.02 . 1 . . . . 69 . . . 5121 1 316 . 1 1 48 48 GLU H H 1 7.918 0.02 . 1 . . . . 70 . . . 5121 1 317 . 1 1 48 48 GLU HA H 1 4.303 0.02 . 1 . . . . 70 . . . 5121 1 318 . 1 1 48 48 GLU HB2 H 1 1.961 0.02 . 1 . . . . 70 . . . 5121 1 319 . 1 1 48 48 GLU HB3 H 1 1.791 0.02 . 1 . . . . 70 . . . 5121 1 320 . 1 1 48 48 GLU HG2 H 1 2.051 0.02 . 1 . . . . 70 . . . 5121 1 321 . 1 1 48 48 GLU HG3 H 1 2.051 0.02 . 1 . . . . 70 . . . 5121 1 322 . 1 1 49 49 MET H H 1 8.469 0.02 . 1 . . . . 71 . . . 5121 1 323 . 1 1 49 49 MET HA H 1 3.551 0.02 . 1 . . . . 71 . . . 5121 1 324 . 1 1 49 49 MET HB2 H 1 2.020 0.02 . 1 . . . . 71 . . . 5121 1 325 . 1 1 49 49 MET HB3 H 1 1.610 0.02 . 1 . . . . 71 . . . 5121 1 326 . 1 1 49 49 MET HG2 H 1 3.031 0.02 . 2 . . . . 71 . . . 5121 1 327 . 1 1 49 49 MET HG3 H 1 1.990 0.02 . 2 . . . . 71 . . . 5121 1 328 . 1 1 50 50 ALA H H 1 7.917 0.02 . 1 . . . . 72 . . . 5121 1 329 . 1 1 50 50 ALA HA H 1 3.321 0.02 . 1 . . . . 72 . . . 5121 1 330 . 1 1 50 50 ALA HB1 H 1 1.471 0.02 . 1 . . . . 72 . . . 5121 1 331 . 1 1 50 50 ALA HB2 H 1 1.471 0.02 . 1 . . . . 72 . . . 5121 1 332 . 1 1 50 50 ALA HB3 H 1 1.471 0.02 . 1 . . . . 72 . . . 5121 1 333 . 1 1 51 51 ARG H H 1 7.689 0.02 . 1 . . . . 73 . . . 5121 1 334 . 1 1 51 51 ARG HA H 1 3.861 0.02 . 1 . . . . 73 . . . 5121 1 335 . 1 1 51 51 ARG HB2 H 1 1.811 0.02 . 1 . . . . 73 . . . 5121 1 336 . 1 1 51 51 ARG HB3 H 1 1.811 0.02 . 1 . . . . 73 . . . 5121 1 337 . 1 1 51 51 ARG HG2 H 1 1.464 0.02 . 2 . . . . 73 . . . 5121 1 338 . 1 1 51 51 ARG HG3 H 1 1.650 0.02 . 2 . . . . 73 . . . 5121 1 339 . 1 1 51 51 ARG HD2 H 1 3.011 0.02 . 2 . . . . 73 . . . 5121 1 340 . 1 1 51 51 ARG HD3 H 1 3.201 0.02 . 2 . . . . 73 . . . 5121 1 341 . 1 1 52 52 LEU H H 1 8.377 0.02 . 1 . . . . 74 . . . 5121 1 342 . 1 1 52 52 LEU HA H 1 3.732 0.02 . 1 . . . . 74 . . . 5121 1 343 . 1 1 52 52 LEU HB2 H 1 1.691 0.02 . 1 . . . . 74 . . . 5121 1 344 . 1 1 52 52 LEU HB3 H 1 1.011 0.02 . 1 . . . . 74 . . . 5121 1 345 . 1 1 52 52 LEU HG H 1 1.721 0.02 . 1 . . . . 74 . . . 5121 1 346 . 1 1 52 52 LEU HD11 H 1 0.826 0.02 . 1 . . . . 74 . . . 5121 1 347 . 1 1 52 52 LEU HD12 H 1 0.826 0.02 . 1 . . . . 74 . . . 5121 1 348 . 1 1 52 52 LEU HD13 H 1 0.826 0.02 . 1 . . . . 74 . . . 5121 1 349 . 1 1 52 52 LEU HD21 H 1 0.729 0.02 . 1 . . . . 74 . . . 5121 1 350 . 1 1 52 52 LEU HD22 H 1 0.729 0.02 . 1 . . . . 74 . . . 5121 1 351 . 1 1 52 52 LEU HD23 H 1 0.729 0.02 . 1 . . . . 74 . . . 5121 1 352 . 1 1 53 53 GLN H H 1 8.363 0.02 . 1 . . . . 75 . . . 5121 1 353 . 1 1 53 53 GLN HA H 1 3.709 0.02 . 1 . . . . 75 . . . 5121 1 354 . 1 1 53 53 GLN HB2 H 1 1.309 0.02 . 2 . . . . 75 . . . 5121 1 355 . 1 1 53 53 GLN HB3 H 1 1.225 0.02 . 2 . . . . 75 . . . 5121 1 356 . 1 1 53 53 GLN HG2 H 1 1.270 0.02 . 1 . . . . 75 . . . 5121 1 357 . 1 1 53 53 GLN HG3 H 1 0.990 0.02 . 1 . . . . 75 . . . 5121 1 358 . 1 1 53 53 GLN HE21 H 1 6.495 0.02 . 2 . . . . 75 . . . 5121 1 359 . 1 1 53 53 GLN HE22 H 1 6.600 0.02 . 2 . . . . 75 . . . 5121 1 360 . 1 1 54 54 GLU H H 1 7.872 0.02 . 1 . . . . 76 . . . 5121 1 361 . 1 1 54 54 GLU HA H 1 3.890 0.02 . 1 . . . . 76 . . . 5121 1 362 . 1 1 54 54 GLU HB2 H 1 2.111 0.02 . 1 . . . . 76 . . . 5121 1 363 . 1 1 54 54 GLU HB3 H 1 2.030 0.02 . 1 . . . . 76 . . . 5121 1 364 . 1 1 54 54 GLU HG2 H 1 2.300 0.02 . 1 . . . . 76 . . . 5121 1 365 . 1 1 54 54 GLU HG3 H 1 2.300 0.02 . 1 . . . . 76 . . . 5121 1 366 . 1 1 55 55 SER H H 1 7.399 0.02 . 1 . . . . 77 . . . 5121 1 367 . 1 1 55 55 SER HA H 1 4.470 0.02 . 1 . . . . 77 . . . 5121 1 368 . 1 1 55 55 SER HB2 H 1 4.021 0.02 . 2 . . . . 77 . . . 5121 1 369 . 1 1 55 55 SER HB3 H 1 3.891 0.02 . 2 . . . . 77 . . . 5121 1 370 . 1 1 56 56 GLY H H 1 7.756 0.02 . 1 . . . . 78 . . . 5121 1 371 . 1 1 56 56 GLY HA2 H 1 3.750 0.02 . 1 . . . . 78 . . . 5121 1 372 . 1 1 56 56 GLY HA3 H 1 4.080 0.02 . 1 . . . . 78 . . . 5121 1 373 . 1 1 57 57 SER H H 1 7.826 0.02 . 1 . . . . 79 . . . 5121 1 374 . 1 1 57 57 SER HA H 1 4.801 0.02 . 1 . . . . 79 . . . 5121 1 375 . 1 1 57 57 SER HB2 H 1 3.487 0.02 . 1 . . . . 79 . . . 5121 1 376 . 1 1 57 57 SER HB3 H 1 3.646 0.02 . 1 . . . . 79 . . . 5121 1 377 . 1 1 58 58 PRO HA H 1 4.406 0.02 . 1 . . . . 80 . . . 5121 1 378 . 1 1 58 58 PRO HB2 H 1 2.181 0.02 . 1 . . . . 80 . . . 5121 1 379 . 1 1 58 58 PRO HB3 H 1 2.391 0.02 . 1 . . . . 80 . . . 5121 1 380 . 1 1 58 58 PRO HG2 H 1 1.971 0.02 . 2 . . . . 80 . . . 5121 1 381 . 1 1 58 58 PRO HG3 H 1 2.070 0.02 . 2 . . . . 80 . . . 5121 1 382 . 1 1 58 58 PRO HD2 H 1 3.781 0.02 . 2 . . . . 80 . . . 5121 1 383 . 1 1 58 58 PRO HD3 H 1 3.685 0.02 . 2 . . . . 80 . . . 5121 1 384 . 1 1 59 59 ILE H H 1 7.063 0.02 . 1 . . . . 81 . . . 5121 1 385 . 1 1 59 59 ILE HA H 1 4.297 0.02 . 1 . . . . 81 . . . 5121 1 386 . 1 1 59 59 ILE HB H 1 2.037 0.02 . 1 . . . . 81 . . . 5121 1 387 . 1 1 59 59 ILE HG21 H 1 0.652 0.02 . 1 . . . . 81 . . . 5121 1 388 . 1 1 59 59 ILE HG22 H 1 0.652 0.02 . 1 . . . . 81 . . . 5121 1 389 . 1 1 59 59 ILE HG23 H 1 0.652 0.02 . 1 . . . . 81 . . . 5121 1 390 . 1 1 59 59 ILE HG12 H 1 1.450 0.02 . 2 . . . . 81 . . . 5121 1 391 . 1 1 59 59 ILE HG13 H 1 0.629 0.02 . 2 . . . . 81 . . . 5121 1 392 . 1 1 59 59 ILE HD11 H 1 0.863 0.02 . 1 . . . . 81 . . . 5121 1 393 . 1 1 59 59 ILE HD12 H 1 0.863 0.02 . 1 . . . . 81 . . . 5121 1 394 . 1 1 59 59 ILE HD13 H 1 0.863 0.02 . 1 . . . . 81 . . . 5121 1 395 . 1 1 60 60 ASP H H 1 7.378 0.02 . 1 . . . . 82 . . . 5121 1 396 . 1 1 60 60 ASP HA H 1 4.788 0.02 . 1 . . . . 82 . . . 5121 1 397 . 1 1 60 60 ASP HB2 H 1 2.988 0.02 . 2 . . . . 82 . . . 5121 1 398 . 1 1 60 60 ASP HB3 H 1 2.804 0.02 . 2 . . . . 82 . . . 5121 1 399 . 1 1 61 61 LEU H H 1 8.338 0.02 . 1 . . . . 83 . . . 5121 1 400 . 1 1 61 61 LEU HA H 1 3.924 0.02 . 1 . . . . 83 . . . 5121 1 401 . 1 1 61 61 LEU HB2 H 1 1.596 0.02 . 1 . . . . 83 . . . 5121 1 402 . 1 1 61 61 LEU HB3 H 1 1.700 0.02 . 1 . . . . 83 . . . 5121 1 403 . 1 1 61 61 LEU HG H 1 1.390 0.02 . 1 . . . . 83 . . . 5121 1 404 . 1 1 61 61 LEU HD11 H 1 0.813 0.02 . 1 . . . . 83 . . . 5121 1 405 . 1 1 61 61 LEU HD12 H 1 0.813 0.02 . 1 . . . . 83 . . . 5121 1 406 . 1 1 61 61 LEU HD13 H 1 0.813 0.02 . 1 . . . . 83 . . . 5121 1 407 . 1 1 61 61 LEU HD21 H 1 0.493 0.02 . 1 . . . . 83 . . . 5121 1 408 . 1 1 61 61 LEU HD22 H 1 0.493 0.02 . 1 . . . . 83 . . . 5121 1 409 . 1 1 61 61 LEU HD23 H 1 0.493 0.02 . 1 . . . . 83 . . . 5121 1 410 . 1 1 62 62 ILE H H 1 7.573 0.02 . 1 . . . . 84 . . . 5121 1 411 . 1 1 62 62 ILE HA H 1 3.779 0.02 . 1 . . . . 84 . . . 5121 1 412 . 1 1 62 62 ILE HB H 1 2.010 0.02 . 1 . . . . 84 . . . 5121 1 413 . 1 1 62 62 ILE HG21 H 1 0.890 0.02 . 1 . . . . 84 . . . 5121 1 414 . 1 1 62 62 ILE HG22 H 1 0.890 0.02 . 1 . . . . 84 . . . 5121 1 415 . 1 1 62 62 ILE HG23 H 1 0.890 0.02 . 1 . . . . 84 . . . 5121 1 416 . 1 1 62 62 ILE HG12 H 1 1.621 0.02 . 2 . . . . 84 . . . 5121 1 417 . 1 1 62 62 ILE HG13 H 1 1.407 0.02 . 2 . . . . 84 . . . 5121 1 418 . 1 1 62 62 ILE HD11 H 1 0.900 0.02 . 1 . . . . 84 . . . 5121 1 419 . 1 1 62 62 ILE HD12 H 1 0.900 0.02 . 1 . . . . 84 . . . 5121 1 420 . 1 1 62 62 ILE HD13 H 1 0.900 0.02 . 1 . . . . 84 . . . 5121 1 421 . 1 1 63 63 THR H H 1 7.937 0.02 . 1 . . . . 85 . . . 5121 1 422 . 1 1 63 63 THR HA H 1 3.733 0.02 . 1 . . . . 85 . . . 5121 1 423 . 1 1 63 63 THR HB H 1 3.687 0.02 . 1 . . . . 85 . . . 5121 1 424 . 1 1 63 63 THR HG21 H 1 1.140 0.02 . 1 . . . . 85 . . . 5121 1 425 . 1 1 63 63 THR HG22 H 1 1.140 0.02 . 1 . . . . 85 . . . 5121 1 426 . 1 1 63 63 THR HG23 H 1 1.140 0.02 . 1 . . . . 85 . . . 5121 1 427 . 1 1 64 64 LEU H H 1 8.564 0.02 . 1 . . . . 86 . . . 5121 1 428 . 1 1 64 64 LEU HA H 1 3.846 0.02 . 1 . . . . 86 . . . 5121 1 429 . 1 1 64 64 LEU HB2 H 1 1.260 0.02 . 1 . . . . 86 . . . 5121 1 430 . 1 1 64 64 LEU HB3 H 1 1.700 0.02 . 1 . . . . 86 . . . 5121 1 431 . 1 1 64 64 LEU HG H 1 1.376 0.02 . 1 . . . . 86 . . . 5121 1 432 . 1 1 64 64 LEU HD11 H 1 0.764 0.02 . 1 . . . . 86 . . . 5121 1 433 . 1 1 64 64 LEU HD12 H 1 0.764 0.02 . 1 . . . . 86 . . . 5121 1 434 . 1 1 64 64 LEU HD13 H 1 0.764 0.02 . 1 . . . . 86 . . . 5121 1 435 . 1 1 64 64 LEU HD21 H 1 0.817 0.02 . 1 . . . . 86 . . . 5121 1 436 . 1 1 64 64 LEU HD22 H 1 0.817 0.02 . 1 . . . . 86 . . . 5121 1 437 . 1 1 64 64 LEU HD23 H 1 0.817 0.02 . 1 . . . . 86 . . . 5121 1 438 . 1 1 65 65 ALA H H 1 8.583 0.02 . 1 . . . . 87 . . . 5121 1 439 . 1 1 65 65 ALA HA H 1 3.782 0.02 . 1 . . . . 87 . . . 5121 1 440 . 1 1 65 65 ALA HB1 H 1 1.519 0.02 . 1 . . . . 87 . . . 5121 1 441 . 1 1 65 65 ALA HB2 H 1 1.519 0.02 . 1 . . . . 87 . . . 5121 1 442 . 1 1 65 65 ALA HB3 H 1 1.519 0.02 . 1 . . . . 87 . . . 5121 1 443 . 1 1 66 66 GLU H H 1 8.418 0.02 . 1 . . . . 88 . . . 5121 1 444 . 1 1 66 66 GLU HA H 1 3.984 0.02 . 1 . . . . 88 . . . 5121 1 445 . 1 1 66 66 GLU HB2 H 1 2.161 0.02 . 1 . . . . 88 . . . 5121 1 446 . 1 1 66 66 GLU HB3 H 1 2.040 0.02 . 1 . . . . 88 . . . 5121 1 447 . 1 1 66 66 GLU HG2 H 1 2.161 0.02 . 2 . . . . 88 . . . 5121 1 448 . 1 1 66 66 GLU HG3 H 1 2.500 0.02 . 2 . . . . 88 . . . 5121 1 449 . 1 1 67 67 SER H H 1 8.005 0.02 . 1 . . . . 89 . . . 5121 1 450 . 1 1 67 67 SER HA H 1 4.100 0.02 . 1 . . . . 89 . . . 5121 1 451 . 1 1 67 67 SER HB2 H 1 3.921 0.02 . 1 . . . . 89 . . . 5121 1 452 . 1 1 67 67 SER HB3 H 1 4.060 0.02 . 1 . . . . 89 . . . 5121 1 453 . 1 1 68 68 LEU H H 1 8.394 0.02 . 1 . . . . 90 . . . 5121 1 454 . 1 1 68 68 LEU HA H 1 3.863 0.02 . 1 . . . . 90 . . . 5121 1 455 . 1 1 68 68 LEU HB2 H 1 1.971 0.02 . 1 . . . . 90 . . . 5121 1 456 . 1 1 68 68 LEU HB3 H 1 0.800 0.02 . 1 . . . . 90 . . . 5121 1 457 . 1 1 68 68 LEU HG H 1 1.740 0.02 . 1 . . . . 90 . . . 5121 1 458 . 1 1 68 68 LEU HD11 H 1 0.771 0.02 . 1 . . . . 90 . . . 5121 1 459 . 1 1 68 68 LEU HD12 H 1 0.771 0.02 . 1 . . . . 90 . . . 5121 1 460 . 1 1 68 68 LEU HD13 H 1 0.771 0.02 . 1 . . . . 90 . . . 5121 1 461 . 1 1 68 68 LEU HD21 H 1 0.685 0.02 . 1 . . . . 90 . . . 5121 1 462 . 1 1 68 68 LEU HD22 H 1 0.685 0.02 . 1 . . . . 90 . . . 5121 1 463 . 1 1 68 68 LEU HD23 H 1 0.685 0.02 . 1 . . . . 90 . . . 5121 1 464 . 1 1 69 69 GLU H H 1 8.832 0.02 . 1 . . . . 91 . . . 5121 1 465 . 1 1 69 69 GLU HA H 1 4.120 0.02 . 1 . . . . 91 . . . 5121 1 466 . 1 1 69 69 GLU HB2 H 1 1.881 0.02 . 2 . . . . 91 . . . 5121 1 467 . 1 1 69 69 GLU HB3 H 1 1.975 0.02 . 2 . . . . 91 . . . 5121 1 468 . 1 1 69 69 GLU HG2 H 1 2.220 0.02 . 1 . . . . 91 . . . 5121 1 469 . 1 1 69 69 GLU HG3 H 1 2.220 0.02 . 1 . . . . 91 . . . 5121 1 470 . 1 1 70 70 ARG H H 1 8.380 0.02 . 1 . . . . 92 . . . 5121 1 471 . 1 1 70 70 ARG HA H 1 4.111 0.02 . 1 . . . . 92 . . . 5121 1 472 . 1 1 70 70 ARG HB2 H 1 1.971 0.02 . 2 . . . . 92 . . . 5121 1 473 . 1 1 70 70 ARG HB3 H 1 2.060 0.02 . 2 . . . . 92 . . . 5121 1 474 . 1 1 70 70 ARG HG2 H 1 1.740 0.02 . 2 . . . . 92 . . . 5121 1 475 . 1 1 70 70 ARG HG3 H 1 1.810 0.02 . 2 . . . . 92 . . . 5121 1 476 . 1 1 70 70 ARG HD2 H 1 3.220 0.02 . 1 . . . . 92 . . . 5121 1 477 . 1 1 70 70 ARG HD3 H 1 3.220 0.02 . 1 . . . . 92 . . . 5121 1 478 . 1 1 71 71 GLN H H 1 7.324 0.02 . 1 . . . . 93 . . . 5121 1 479 . 1 1 71 71 GLN HA H 1 4.354 0.02 . 1 . . . . 93 . . . 5121 1 480 . 1 1 71 71 GLN HB2 H 1 1.811 0.02 . 1 . . . . 93 . . . 5121 1 481 . 1 1 71 71 GLN HB3 H 1 2.401 0.02 . 1 . . . . 93 . . . 5121 1 482 . 1 1 71 71 GLN HG2 H 1 2.237 0.02 . 2 . . . . 93 . . . 5121 1 483 . 1 1 71 71 GLN HG3 H 1 2.521 0.02 . 2 . . . . 93 . . . 5121 1 484 . 1 1 71 71 GLN HE21 H 1 6.972 0.02 . 2 . . . . 93 . . . 5121 1 485 . 1 1 71 71 GLN HE22 H 1 6.790 0.02 . 2 . . . . 93 . . . 5121 1 486 . 1 1 72 72 GLY H H 1 8.138 0.02 . 1 . . . . 94 . . . 5121 1 487 . 1 1 72 72 GLY HA2 H 1 4.061 0.02 . 1 . . . . 94 . . . 5121 1 488 . 1 1 72 72 GLY HA3 H 1 4.061 0.02 . 1 . . . . 94 . . . 5121 1 489 . 1 1 73 73 GLN H H 1 8.160 0.02 . 1 . . . . 95 . . . 5121 1 490 . 1 1 73 73 GLN HA H 1 4.600 0.02 . 1 . . . . 95 . . . 5121 1 491 . 1 1 73 73 GLN HB2 H 1 1.515 0.02 . 1 . . . . 95 . . . 5121 1 492 . 1 1 73 73 GLN HB3 H 1 2.260 0.02 . 1 . . . . 95 . . . 5121 1 493 . 1 1 73 73 GLN HG2 H 1 2.250 0.02 . 2 . . . . 95 . . . 5121 1 494 . 1 1 73 73 GLN HG3 H 1 2.181 0.02 . 2 . . . . 95 . . . 5121 1 495 . 1 1 73 73 GLN HE21 H 1 6.495 0.02 . 2 . . . . 95 . . . 5121 1 496 . 1 1 73 73 GLN HE22 H 1 7.120 0.02 . 2 . . . . 95 . . . 5121 1 497 . 1 1 74 74 LEU H H 1 7.679 0.02 . 1 . . . . 96 . . . 5121 1 498 . 1 1 74 74 LEU HA H 1 3.953 0.02 . 1 . . . . 96 . . . 5121 1 499 . 1 1 74 74 LEU HB2 H 1 1.177 0.02 . 1 . . . . 96 . . . 5121 1 500 . 1 1 74 74 LEU HB3 H 1 1.980 0.02 . 1 . . . . 96 . . . 5121 1 501 . 1 1 74 74 LEU HG H 1 1.570 0.02 . 1 . . . . 96 . . . 5121 1 502 . 1 1 74 74 LEU HD11 H 1 0.851 0.02 . 1 . . . . 96 . . . 5121 1 503 . 1 1 74 74 LEU HD12 H 1 0.851 0.02 . 1 . . . . 96 . . . 5121 1 504 . 1 1 74 74 LEU HD13 H 1 0.851 0.02 . 1 . . . . 96 . . . 5121 1 505 . 1 1 74 74 LEU HD21 H 1 1.005 0.02 . 1 . . . . 96 . . . 5121 1 506 . 1 1 74 74 LEU HD22 H 1 1.005 0.02 . 1 . . . . 96 . . . 5121 1 507 . 1 1 74 74 LEU HD23 H 1 1.005 0.02 . 1 . . . . 96 . . . 5121 1 508 . 1 1 75 75 ASP H H 1 8.527 0.02 . 1 . . . . 97 . . . 5121 1 509 . 1 1 75 75 ASP HA H 1 4.278 0.02 . 1 . . . . 97 . . . 5121 1 510 . 1 1 75 75 ASP HB2 H 1 2.587 0.02 . 1 . . . . 97 . . . 5121 1 511 . 1 1 75 75 ASP HB3 H 1 2.590 0.02 . 1 . . . . 97 . . . 5121 1 512 . 1 1 76 76 SER H H 1 7.812 0.02 . 1 . . . . 98 . . . 5121 1 513 . 1 1 76 76 SER HA H 1 4.204 0.02 . 1 . . . . 98 . . . 5121 1 514 . 1 1 76 76 SER HB2 H 1 3.847 0.02 . 1 . . . . 98 . . . 5121 1 515 . 1 1 76 76 SER HB3 H 1 3.837 0.02 . 1 . . . . 98 . . . 5121 1 516 . 1 1 77 77 VAL H H 1 7.102 0.02 . 1 . . . . 99 . . . 5121 1 517 . 1 1 77 77 VAL HA H 1 4.439 0.02 . 1 . . . . 99 . . . 5121 1 518 . 1 1 77 77 VAL HB H 1 2.580 0.02 . 1 . . . . 99 . . . 5121 1 519 . 1 1 77 77 VAL HG11 H 1 0.868 0.02 . 1 . . . . 99 . . . 5121 1 520 . 1 1 77 77 VAL HG12 H 1 0.868 0.02 . 1 . . . . 99 . . . 5121 1 521 . 1 1 77 77 VAL HG13 H 1 0.868 0.02 . 1 . . . . 99 . . . 5121 1 522 . 1 1 77 77 VAL HG21 H 1 1.003 0.02 . 1 . . . . 99 . . . 5121 1 523 . 1 1 77 77 VAL HG22 H 1 1.003 0.02 . 1 . . . . 99 . . . 5121 1 524 . 1 1 77 77 VAL HG23 H 1 1.003 0.02 . 1 . . . . 99 . . . 5121 1 525 . 1 1 78 78 GLY H H 1 7.376 0.02 . 1 . . . . 100 . . . 5121 1 526 . 1 1 78 78 GLY HA2 H 1 4.330 0.02 . 2 . . . . 100 . . . 5121 1 527 . 1 1 78 78 GLY HA3 H 1 3.531 0.02 . 2 . . . . 100 . . . 5121 1 528 . 1 1 79 79 GLY H H 1 7.947 0.02 . 1 . . . . 101 . . . 5121 1 529 . 1 1 79 79 GLY HA2 H 1 4.411 0.02 . 2 . . . . 101 . . . 5121 1 530 . 1 1 79 79 GLY HA3 H 1 3.676 0.02 . 2 . . . . 101 . . . 5121 1 531 . 1 1 80 80 PHE HA H 1 3.736 0.02 . 1 . . . . 102 . . . 5121 1 532 . 1 1 80 80 PHE HB2 H 1 3.079 0.02 . 1 . . . . 102 . . . 5121 1 533 . 1 1 80 80 PHE HB3 H 1 2.909 0.02 . 1 . . . . 102 . . . 5121 1 534 . 1 1 80 80 PHE HD1 H 1 6.960 0.02 . 1 . . . . 102 . . . 5121 1 535 . 1 1 80 80 PHE HD2 H 1 6.960 0.02 . 1 . . . . 102 . . . 5121 1 536 . 1 1 80 80 PHE HE1 H 1 7.124 0.02 . 1 . . . . 102 . . . 5121 1 537 . 1 1 80 80 PHE HE2 H 1 7.124 0.02 . 1 . . . . 102 . . . 5121 1 538 . 1 1 80 80 PHE HZ H 1 7.101 0.02 . 1 . . . . 102 . . . 5121 1 539 . 1 1 81 81 ALA H H 1 8.912 0.02 . 1 . . . . 103 . . . 5121 1 540 . 1 1 81 81 ALA HA H 1 3.950 0.02 . 1 . . . . 103 . . . 5121 1 541 . 1 1 81 81 ALA HB1 H 1 1.491 0.02 . 1 . . . . 103 . . . 5121 1 542 . 1 1 81 81 ALA HB2 H 1 1.491 0.02 . 1 . . . . 103 . . . 5121 1 543 . 1 1 81 81 ALA HB3 H 1 1.491 0.02 . 1 . . . . 103 . . . 5121 1 544 . 1 1 82 82 TYR H H 1 7.136 0.02 . 1 . . . . 104 . . . 5121 1 545 . 1 1 82 82 TYR HA H 1 4.350 0.02 . 1 . . . . 104 . . . 5121 1 546 . 1 1 82 82 TYR HB2 H 1 3.155 0.02 . 1 . . . . 104 . . . 5121 1 547 . 1 1 82 82 TYR HB3 H 1 2.764 0.02 . 1 . . . . 104 . . . 5121 1 548 . 1 1 82 82 TYR HD1 H 1 7.187 0.02 . 1 . . . . 104 . . . 5121 1 549 . 1 1 82 82 TYR HD2 H 1 7.187 0.02 . 1 . . . . 104 . . . 5121 1 550 . 1 1 82 82 TYR HE1 H 1 6.690 0.02 . 1 . . . . 104 . . . 5121 1 551 . 1 1 82 82 TYR HE2 H 1 6.690 0.02 . 1 . . . . 104 . . . 5121 1 552 . 1 1 83 83 LEU H H 1 7.023 0.02 . 1 . . . . 105 . . . 5121 1 553 . 1 1 83 83 LEU HA H 1 3.540 0.02 . 1 . . . . 105 . . . 5121 1 554 . 1 1 83 83 LEU HB2 H 1 1.514 0.02 . 1 . . . . 105 . . . 5121 1 555 . 1 1 83 83 LEU HB3 H 1 1.042 0.02 . 1 . . . . 105 . . . 5121 1 556 . 1 1 83 83 LEU HG H 1 1.671 0.02 . 1 . . . . 105 . . . 5121 1 557 . 1 1 83 83 LEU HD11 H 1 0.661 0.02 . 1 . . . . 105 . . . 5121 1 558 . 1 1 83 83 LEU HD12 H 1 0.661 0.02 . 1 . . . . 105 . . . 5121 1 559 . 1 1 83 83 LEU HD13 H 1 0.661 0.02 . 1 . . . . 105 . . . 5121 1 560 . 1 1 83 83 LEU HD21 H 1 0.651 0.02 . 1 . . . . 105 . . . 5121 1 561 . 1 1 83 83 LEU HD22 H 1 0.651 0.02 . 1 . . . . 105 . . . 5121 1 562 . 1 1 83 83 LEU HD23 H 1 0.651 0.02 . 1 . . . . 105 . . . 5121 1 563 . 1 1 84 84 ALA H H 1 8.423 0.02 . 1 . . . . 106 . . . 5121 1 564 . 1 1 84 84 ALA HA H 1 3.657 0.02 . 1 . . . . 106 . . . 5121 1 565 . 1 1 84 84 ALA HB1 H 1 1.026 0.02 . 1 . . . . 106 . . . 5121 1 566 . 1 1 84 84 ALA HB2 H 1 1.026 0.02 . 1 . . . . 106 . . . 5121 1 567 . 1 1 84 84 ALA HB3 H 1 1.026 0.02 . 1 . . . . 106 . . . 5121 1 568 . 1 1 85 85 GLU H H 1 7.659 0.02 . 1 . . . . 107 . . . 5121 1 569 . 1 1 85 85 GLU HA H 1 3.805 0.02 . 1 . . . . 107 . . . 5121 1 570 . 1 1 85 85 GLU HB2 H 1 2.061 0.02 . 1 . . . . 107 . . . 5121 1 571 . 1 1 85 85 GLU HB3 H 1 1.990 0.02 . 1 . . . . 107 . . . 5121 1 572 . 1 1 85 85 GLU HG2 H 1 2.121 0.02 . 2 . . . . 107 . . . 5121 1 573 . 1 1 85 85 GLU HG3 H 1 2.181 0.02 . 2 . . . . 107 . . . 5121 1 574 . 1 1 86 86 LEU H H 1 7.757 0.02 . 1 . . . . 108 . . . 5121 1 575 . 1 1 86 86 LEU HA H 1 3.664 0.02 . 1 . . . . 108 . . . 5121 1 576 . 1 1 86 86 LEU HB2 H 1 1.860 0.02 . 1 . . . . 108 . . . 5121 1 577 . 1 1 86 86 LEU HB3 H 1 0.889 0.02 . 1 . . . . 108 . . . 5121 1 578 . 1 1 86 86 LEU HG H 1 1.313 0.02 . 1 . . . . 108 . . . 5121 1 579 . 1 1 86 86 LEU HD11 H 1 0.601 0.02 . 1 . . . . 108 . . . 5121 1 580 . 1 1 86 86 LEU HD12 H 1 0.601 0.02 . 1 . . . . 108 . . . 5121 1 581 . 1 1 86 86 LEU HD13 H 1 0.601 0.02 . 1 . . . . 108 . . . 5121 1 582 . 1 1 86 86 LEU HD21 H 1 0.669 0.02 . 1 . . . . 108 . . . 5121 1 583 . 1 1 86 86 LEU HD22 H 1 0.669 0.02 . 1 . . . . 108 . . . 5121 1 584 . 1 1 86 86 LEU HD23 H 1 0.669 0.02 . 1 . . . . 108 . . . 5121 1 585 . 1 1 87 87 SER H H 1 7.520 0.02 . 1 . . . . 109 . . . 5121 1 586 . 1 1 87 87 SER HA H 1 4.170 0.02 . 1 . . . . 109 . . . 5121 1 587 . 1 1 87 87 SER HB2 H 1 3.920 0.02 . 1 . . . . 109 . . . 5121 1 588 . 1 1 87 87 SER HB3 H 1 3.942 0.02 . 1 . . . . 109 . . . 5121 1 589 . 1 1 88 88 LYS H H 1 7.636 0.02 . 1 . . . . 110 . . . 5121 1 590 . 1 1 88 88 LYS HA H 1 4.088 0.02 . 1 . . . . 110 . . . 5121 1 591 . 1 1 88 88 LYS HB2 H 1 1.784 0.02 . 2 . . . . 110 . . . 5121 1 592 . 1 1 88 88 LYS HB3 H 1 1.771 0.02 . 2 . . . . 110 . . . 5121 1 593 . 1 1 88 88 LYS HG2 H 1 1.471 0.02 . 2 . . . . 110 . . . 5121 1 594 . 1 1 88 88 LYS HG3 H 1 1.401 0.02 . 2 . . . . 110 . . . 5121 1 595 . 1 1 88 88 LYS HD2 H 1 1.584 0.02 . 2 . . . . 110 . . . 5121 1 596 . 1 1 88 88 LYS HD3 H 1 1.570 0.02 . 2 . . . . 110 . . . 5121 1 597 . 1 1 88 88 LYS HE2 H 1 2.855 0.02 . 2 . . . . 110 . . . 5121 1 598 . 1 1 88 88 LYS HE3 H 1 2.835 0.02 . 2 . . . . 110 . . . 5121 1 599 . 1 1 89 89 ASN H H 1 7.744 0.02 . 1 . . . . 111 . . . 5121 1 600 . 1 1 89 89 ASN HA H 1 4.627 0.02 . 1 . . . . 111 . . . 5121 1 601 . 1 1 89 89 ASN HB2 H 1 2.735 0.02 . 1 . . . . 111 . . . 5121 1 602 . 1 1 89 89 ASN HB3 H 1 2.762 0.02 . 1 . . . . 111 . . . 5121 1 603 . 1 1 89 89 ASN HD21 H 1 7.410 0.02 . 1 . . . . 111 . . . 5121 1 604 . 1 1 89 89 ASN HD22 H 1 6.972 0.02 . 1 . . . . 111 . . . 5121 1 605 . 1 1 90 90 THR H H 1 7.483 0.02 . 1 . . . . 112 . . . 5121 1 606 . 1 1 90 90 THR HA H 1 4.532 0.02 . 1 . . . . 112 . . . 5121 1 607 . 1 1 90 90 THR HB H 1 4.049 0.02 . 1 . . . . 112 . . . 5121 1 608 . 1 1 90 90 THR HG21 H 1 1.103 0.02 . 1 . . . . 112 . . . 5121 1 609 . 1 1 90 90 THR HG22 H 1 1.103 0.02 . 1 . . . . 112 . . . 5121 1 610 . 1 1 90 90 THR HG23 H 1 1.103 0.02 . 1 . . . . 112 . . . 5121 1 611 . 1 1 91 91 PRO HA H 1 4.517 0.02 . 1 . . . . 113 . . . 5121 1 612 . 1 1 91 91 PRO HB2 H 1 1.980 0.02 . 2 . . . . 113 . . . 5121 1 613 . 1 1 91 91 PRO HB3 H 1 2.288 0.02 . 2 . . . . 113 . . . 5121 1 614 . 1 1 91 91 PRO HG2 H 1 1.961 0.02 . 1 . . . . 113 . . . 5121 1 615 . 1 1 91 91 PRO HG3 H 1 1.961 0.02 . 1 . . . . 113 . . . 5121 1 616 . 1 1 91 91 PRO HD2 H 1 3.682 0.02 . 1 . . . . 113 . . . 5121 1 617 . 1 1 91 91 PRO HD3 H 1 3.682 0.02 . 1 . . . . 113 . . . 5121 1 618 . 1 1 92 92 SER H H 1 7.966 0.02 . 1 . . . . 114 . . . 5121 1 619 . 1 1 92 92 SER HA H 1 4.396 0.02 . 1 . . . . 114 . . . 5121 1 620 . 1 1 92 92 SER HB2 H 1 4.020 0.02 . 2 . . . . 114 . . . 5121 1 621 . 1 1 92 92 SER HB3 H 1 3.840 0.02 . 2 . . . . 114 . . . 5121 1 622 . 1 1 93 93 ALA H H 1 8.794 0.02 . 1 . . . . 115 . . . 5121 1 623 . 1 1 93 93 ALA HA H 1 4.370 0.02 . 1 . . . . 115 . . . 5121 1 624 . 1 1 93 93 ALA HB1 H 1 1.448 0.02 . 1 . . . . 115 . . . 5121 1 625 . 1 1 93 93 ALA HB2 H 1 1.448 0.02 . 1 . . . . 115 . . . 5121 1 626 . 1 1 93 93 ALA HB3 H 1 1.448 0.02 . 1 . . . . 115 . . . 5121 1 627 . 1 1 94 94 ALA H H 1 8.090 0.02 . 1 . . . . 116 . . . 5121 1 628 . 1 1 94 94 ALA HA H 1 4.099 0.02 . 1 . . . . 116 . . . 5121 1 629 . 1 1 94 94 ALA HB1 H 1 1.325 0.02 . 1 . . . . 116 . . . 5121 1 630 . 1 1 94 94 ALA HB2 H 1 1.325 0.02 . 1 . . . . 116 . . . 5121 1 631 . 1 1 94 94 ALA HB3 H 1 1.325 0.02 . 1 . . . . 116 . . . 5121 1 632 . 1 1 95 95 ASN H H 1 8.216 0.02 . 1 . . . . 117 . . . 5121 1 633 . 1 1 95 95 ASN HA H 1 4.773 0.02 . 1 . . . . 117 . . . 5121 1 634 . 1 1 95 95 ASN HB2 H 1 2.657 0.02 . 2 . . . . 117 . . . 5121 1 635 . 1 1 95 95 ASN HB3 H 1 2.728 0.02 . 2 . . . . 117 . . . 5121 1 636 . 1 1 95 95 ASN HD21 H 1 7.347 0.02 . 2 . . . . 117 . . . 5121 1 637 . 1 1 95 95 ASN HD22 H 1 6.840 0.02 . 2 . . . . 117 . . . 5121 1 638 . 1 1 96 96 ILE H H 1 8.001 0.02 . 1 . . . . 118 . . . 5121 1 639 . 1 1 96 96 ILE HA H 1 3.897 0.02 . 1 . . . . 118 . . . 5121 1 640 . 1 1 96 96 ILE HB H 1 2.043 0.02 . 1 . . . . 118 . . . 5121 1 641 . 1 1 96 96 ILE HG21 H 1 0.971 0.02 . 1 . . . . 118 . . . 5121 1 642 . 1 1 96 96 ILE HG22 H 1 0.971 0.02 . 1 . . . . 118 . . . 5121 1 643 . 1 1 96 96 ILE HG23 H 1 0.971 0.02 . 1 . . . . 118 . . . 5121 1 644 . 1 1 96 96 ILE HG12 H 1 1.204 0.02 . 2 . . . . 118 . . . 5121 1 645 . 1 1 96 96 ILE HG13 H 1 1.660 0.02 . 2 . . . . 118 . . . 5121 1 646 . 1 1 96 96 ILE HD11 H 1 0.958 0.02 . 1 . . . . 118 . . . 5121 1 647 . 1 1 96 96 ILE HD12 H 1 0.958 0.02 . 1 . . . . 118 . . . 5121 1 648 . 1 1 96 96 ILE HD13 H 1 0.958 0.02 . 1 . . . . 118 . . . 5121 1 649 . 1 1 97 97 SER H H 1 8.109 0.02 . 1 . . . . 119 . . . 5121 1 650 . 1 1 97 97 SER HA H 1 3.794 0.02 . 1 . . . . 119 . . . 5121 1 651 . 1 1 97 97 SER HB2 H 1 3.713 0.02 . 2 . . . . 119 . . . 5121 1 652 . 1 1 97 97 SER HB3 H 1 3.649 0.02 . 2 . . . . 119 . . . 5121 1 653 . 1 1 98 98 ALA H H 1 7.202 0.02 . 1 . . . . 120 . . . 5121 1 654 . 1 1 98 98 ALA HA H 1 4.094 0.02 . 1 . . . . 120 . . . 5121 1 655 . 1 1 98 98 ALA HB1 H 1 1.222 0.02 . 1 . . . . 120 . . . 5121 1 656 . 1 1 98 98 ALA HB2 H 1 1.222 0.02 . 1 . . . . 120 . . . 5121 1 657 . 1 1 98 98 ALA HB3 H 1 1.222 0.02 . 1 . . . . 120 . . . 5121 1 658 . 1 1 99 99 TYR H H 1 7.697 0.02 . 1 . . . . 121 . . . 5121 1 659 . 1 1 99 99 TYR HA H 1 4.383 0.02 . 1 . . . . 121 . . . 5121 1 660 . 1 1 99 99 TYR HB2 H 1 2.830 0.02 . 2 . . . . 121 . . . 5121 1 661 . 1 1 99 99 TYR HB3 H 1 3.241 0.02 . 2 . . . . 121 . . . 5121 1 662 . 1 1 99 99 TYR HD1 H 1 6.950 0.02 . 1 . . . . 121 . . . 5121 1 663 . 1 1 99 99 TYR HD2 H 1 6.950 0.02 . 1 . . . . 121 . . . 5121 1 664 . 1 1 99 99 TYR HE1 H 1 6.778 0.02 . 1 . . . . 121 . . . 5121 1 665 . 1 1 99 99 TYR HE2 H 1 6.778 0.02 . 1 . . . . 121 . . . 5121 1 666 . 1 1 100 100 ALA H H 1 8.277 0.02 . 1 . . . . 122 . . . 5121 1 667 . 1 1 100 100 ALA HA H 1 3.703 0.02 . 1 . . . . 122 . . . 5121 1 668 . 1 1 100 100 ALA HB1 H 1 1.419 0.02 . 1 . . . . 122 . . . 5121 1 669 . 1 1 100 100 ALA HB2 H 1 1.419 0.02 . 1 . . . . 122 . . . 5121 1 670 . 1 1 100 100 ALA HB3 H 1 1.419 0.02 . 1 . . . . 122 . . . 5121 1 671 . 1 1 101 101 ASP H H 1 7.987 0.02 . 1 . . . . 123 . . . 5121 1 672 . 1 1 101 101 ASP HA H 1 4.350 0.02 . 1 . . . . 123 . . . 5121 1 673 . 1 1 101 101 ASP HB2 H 1 2.840 0.02 . 1 . . . . 123 . . . 5121 1 674 . 1 1 101 101 ASP HB3 H 1 2.580 0.02 . 1 . . . . 123 . . . 5121 1 675 . 1 1 102 102 ILE H H 1 7.402 0.02 . 1 . . . . 124 . . . 5121 1 676 . 1 1 102 102 ILE HA H 1 3.747 0.02 . 1 . . . . 124 . . . 5121 1 677 . 1 1 102 102 ILE HB H 1 2.123 0.02 . 1 . . . . 124 . . . 5121 1 678 . 1 1 102 102 ILE HG21 H 1 0.849 0.02 . 1 . . . . 124 . . . 5121 1 679 . 1 1 102 102 ILE HG22 H 1 0.849 0.02 . 1 . . . . 124 . . . 5121 1 680 . 1 1 102 102 ILE HG23 H 1 0.849 0.02 . 1 . . . . 124 . . . 5121 1 681 . 1 1 102 102 ILE HG12 H 1 1.066 0.02 . 1 . . . . 124 . . . 5121 1 682 . 1 1 102 102 ILE HG13 H 1 1.777 0.02 . 1 . . . . 124 . . . 5121 1 683 . 1 1 102 102 ILE HD11 H 1 0.827 0.02 . 1 . . . . 124 . . . 5121 1 684 . 1 1 102 102 ILE HD12 H 1 0.827 0.02 . 1 . . . . 124 . . . 5121 1 685 . 1 1 102 102 ILE HD13 H 1 0.827 0.02 . 1 . . . . 124 . . . 5121 1 686 . 1 1 103 103 VAL H H 1 7.729 0.02 . 1 . . . . 125 . . . 5121 1 687 . 1 1 103 103 VAL HA H 1 3.368 0.02 . 1 . . . . 125 . . . 5121 1 688 . 1 1 103 103 VAL HB H 1 1.975 0.02 . 1 . . . . 125 . . . 5121 1 689 . 1 1 103 103 VAL HG11 H 1 0.005 0.02 . 1 . . . . 125 . . . 5121 1 690 . 1 1 103 103 VAL HG12 H 1 0.005 0.02 . 1 . . . . 125 . . . 5121 1 691 . 1 1 103 103 VAL HG13 H 1 0.005 0.02 . 1 . . . . 125 . . . 5121 1 692 . 1 1 103 103 VAL HG21 H 1 0.849 0.02 . 1 . . . . 125 . . . 5121 1 693 . 1 1 103 103 VAL HG22 H 1 0.849 0.02 . 1 . . . . 125 . . . 5121 1 694 . 1 1 103 103 VAL HG23 H 1 0.849 0.02 . 1 . . . . 125 . . . 5121 1 695 . 1 1 104 104 ARG H H 1 8.029 0.02 . 1 . . . . 126 . . . 5121 1 696 . 1 1 104 104 ARG HA H 1 3.797 0.02 . 1 . . . . 126 . . . 5121 1 697 . 1 1 104 104 ARG HB2 H 1 2.101 0.02 . 1 . . . . 126 . . . 5121 1 698 . 1 1 104 104 ARG HB3 H 1 1.918 0.02 . 1 . . . . 126 . . . 5121 1 699 . 1 1 104 104 ARG HG2 H 1 1.553 0.02 . 2 . . . . 126 . . . 5121 1 700 . 1 1 104 104 ARG HG3 H 1 1.662 0.02 . 2 . . . . 126 . . . 5121 1 701 . 1 1 104 104 ARG HD2 H 1 3.258 0.02 . 2 . . . . 126 . . . 5121 1 702 . 1 1 104 104 ARG HD3 H 1 3.329 0.02 . 2 . . . . 126 . . . 5121 1 703 . 1 1 105 105 GLU H H 1 8.495 0.02 . 1 . . . . 127 . . . 5121 1 704 . 1 1 105 105 GLU HA H 1 3.904 0.02 . 1 . . . . 127 . . . 5121 1 705 . 1 1 105 105 GLU HB2 H 1 2.091 0.02 . 1 . . . . 127 . . . 5121 1 706 . 1 1 105 105 GLU HB3 H 1 2.151 0.02 . 1 . . . . 127 . . . 5121 1 707 . 1 1 105 105 GLU HG2 H 1 2.201 0.02 . 2 . . . . 127 . . . 5121 1 708 . 1 1 105 105 GLU HG3 H 1 2.367 0.02 . 2 . . . . 127 . . . 5121 1 709 . 1 1 106 106 ARG H H 1 8.566 0.02 . 1 . . . . 128 . . . 5121 1 710 . 1 1 106 106 ARG HA H 1 3.974 0.02 . 1 . . . . 128 . . . 5121 1 711 . 1 1 106 106 ARG HB2 H 1 1.862 0.02 . 1 . . . . 128 . . . 5121 1 712 . 1 1 106 106 ARG HB3 H 1 1.520 0.02 . 1 . . . . 128 . . . 5121 1 713 . 1 1 106 106 ARG HG2 H 1 1.307 0.02 . 2 . . . . 128 . . . 5121 1 714 . 1 1 106 106 ARG HG3 H 1 2.013 0.02 . 2 . . . . 128 . . . 5121 1 715 . 1 1 106 106 ARG HD2 H 1 2.932 0.02 . 2 . . . . 128 . . . 5121 1 716 . 1 1 106 106 ARG HD3 H 1 2.851 0.02 . 2 . . . . 128 . . . 5121 1 717 . 1 1 107 107 ALA H H 1 7.566 0.02 . 1 . . . . 129 . . . 5121 1 718 . 1 1 107 107 ALA HA H 1 3.966 0.02 . 1 . . . . 129 . . . 5121 1 719 . 1 1 107 107 ALA HB1 H 1 1.688 0.02 . 1 . . . . 129 . . . 5121 1 720 . 1 1 107 107 ALA HB2 H 1 1.688 0.02 . 1 . . . . 129 . . . 5121 1 721 . 1 1 107 107 ALA HB3 H 1 1.688 0.02 . 1 . . . . 129 . . . 5121 1 722 . 1 1 108 108 VAL H H 1 7.995 0.02 . 1 . . . . 130 . . . 5121 1 723 . 1 1 108 108 VAL HA H 1 3.649 0.02 . 1 . . . . 130 . . . 5121 1 724 . 1 1 108 108 VAL HB H 1 2.207 0.02 . 1 . . . . 130 . . . 5121 1 725 . 1 1 108 108 VAL HG11 H 1 0.901 0.02 . 1 . . . . 130 . . . 5121 1 726 . 1 1 108 108 VAL HG12 H 1 0.901 0.02 . 1 . . . . 130 . . . 5121 1 727 . 1 1 108 108 VAL HG13 H 1 0.901 0.02 . 1 . . . . 130 . . . 5121 1 728 . 1 1 108 108 VAL HG21 H 1 1.006 0.02 . 1 . . . . 130 . . . 5121 1 729 . 1 1 108 108 VAL HG22 H 1 1.006 0.02 . 1 . . . . 130 . . . 5121 1 730 . 1 1 108 108 VAL HG23 H 1 1.006 0.02 . 1 . . . . 130 . . . 5121 1 731 . 1 1 109 109 VAL H H 1 7.481 0.02 . 1 . . . . 131 . . . 5121 1 732 . 1 1 109 109 VAL HA H 1 3.789 0.02 . 1 . . . . 131 . . . 5121 1 733 . 1 1 109 109 VAL HB H 1 2.102 0.02 . 1 . . . . 131 . . . 5121 1 734 . 1 1 109 109 VAL HG11 H 1 0.972 0.02 . 1 . . . . 131 . . . 5121 1 735 . 1 1 109 109 VAL HG12 H 1 0.972 0.02 . 1 . . . . 131 . . . 5121 1 736 . 1 1 109 109 VAL HG13 H 1 0.972 0.02 . 1 . . . . 131 . . . 5121 1 737 . 1 1 109 109 VAL HG21 H 1 1.031 0.02 . 1 . . . . 131 . . . 5121 1 738 . 1 1 109 109 VAL HG22 H 1 1.031 0.02 . 1 . . . . 131 . . . 5121 1 739 . 1 1 109 109 VAL HG23 H 1 1.031 0.02 . 1 . . . . 131 . . . 5121 1 740 . 1 1 110 110 ARG H H 1 8.204 0.02 . 1 . . . . 132 . . . 5121 1 741 . 1 1 110 110 ARG HA H 1 3.991 0.02 . 1 . . . . 132 . . . 5121 1 742 . 1 1 110 110 ARG HB2 H 1 1.998 0.02 . 2 . . . . 132 . . . 5121 1 743 . 1 1 110 110 ARG HB3 H 1 2.145 0.02 . 2 . . . . 132 . . . 5121 1 744 . 1 1 110 110 ARG HG2 H 1 1.490 0.02 . 2 . . . . 132 . . . 5121 1 745 . 1 1 110 110 ARG HG3 H 1 2.010 0.02 . 2 . . . . 132 . . . 5121 1 746 . 1 1 110 110 ARG HD2 H 1 3.350 0.02 . 1 . . . . 132 . . . 5121 1 747 . 1 1 110 110 ARG HD3 H 1 3.350 0.02 . 1 . . . . 132 . . . 5121 1 748 . 1 1 111 111 GLU H H 1 7.822 0.02 . 1 . . . . 133 . . . 5121 1 749 . 1 1 111 111 GLU HA H 1 4.198 0.02 . 1 . . . . 133 . . . 5121 1 750 . 1 1 111 111 GLU HB2 H 1 2.151 0.02 . 1 . . . . 133 . . . 5121 1 751 . 1 1 111 111 GLU HB3 H 1 2.021 0.02 . 1 . . . . 133 . . . 5121 1 752 . 1 1 111 111 GLU HG2 H 1 2.381 0.02 . 2 . . . . 133 . . . 5121 1 753 . 1 1 111 111 GLU HG3 H 1 2.300 0.02 . 2 . . . . 133 . . . 5121 1 754 . 1 1 112 112 MET H H 1 7.763 0.02 . 1 . . . . 134 . . . 5121 1 755 . 1 1 112 112 MET HA H 1 4.379 0.02 . 1 . . . . 134 . . . 5121 1 756 . 1 1 112 112 MET HB2 H 1 2.151 0.02 . 1 . . . . 134 . . . 5121 1 757 . 1 1 112 112 MET HB3 H 1 2.151 0.02 . 1 . . . . 134 . . . 5121 1 758 . 1 1 112 112 MET HG2 H 1 2.591 0.02 . 2 . . . . 134 . . . 5121 1 759 . 1 1 112 112 MET HG3 H 1 2.714 0.02 . 2 . . . . 134 . . . 5121 1 760 . 1 1 113 113 ILE H H 1 7.917 0.02 . 1 . . . . 135 . . . 5121 1 761 . 1 1 113 113 ILE HA H 1 4.264 0.02 . 1 . . . . 135 . . . 5121 1 762 . 1 1 113 113 ILE HB H 1 1.814 0.02 . 1 . . . . 135 . . . 5121 1 763 . 1 1 113 113 ILE HG21 H 1 0.770 0.02 . 1 . . . . 135 . . . 5121 1 764 . 1 1 113 113 ILE HG22 H 1 0.770 0.02 . 1 . . . . 135 . . . 5121 1 765 . 1 1 113 113 ILE HG23 H 1 0.770 0.02 . 1 . . . . 135 . . . 5121 1 766 . 1 1 113 113 ILE HG12 H 1 1.383 0.02 . 2 . . . . 135 . . . 5121 1 767 . 1 1 113 113 ILE HG13 H 1 1.144 0.02 . 2 . . . . 135 . . . 5121 1 768 . 1 1 113 113 ILE HD11 H 1 0.823 0.02 . 1 . . . . 135 . . . 5121 1 769 . 1 1 113 113 ILE HD12 H 1 0.823 0.02 . 1 . . . . 135 . . . 5121 1 770 . 1 1 113 113 ILE HD13 H 1 0.823 0.02 . 1 . . . . 135 . . . 5121 1 771 . 1 1 114 114 SER H H 1 7.752 0.02 . 1 . . . . 136 . . . 5121 1 772 . 1 1 114 114 SER HA H 1 4.271 0.02 . 1 . . . . 136 . . . 5121 1 773 . 1 1 114 114 SER HB2 H 1 3.908 0.02 . 2 . . . . 136 . . . 5121 1 774 . 1 1 114 114 SER HB3 H 1 3.833 0.02 . 2 . . . . 136 . . . 5121 1 stop_ save_