data_6272 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6272 _Entry.Title ; NMR ASSIGNMENT OF MTH0776 FROM METHANOBACTERIUM THERMOAUTOTROPHICUM STRAIN H ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-23 _Entry.Accession_date 2004-07-23 _Entry.Last_release_date 2005-10-28 _Entry.Original_release_date 2005-10-28 _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 GODWIN AMEGBEY . YAO . 6272 2 CHANG ZHAN . . . 6272 3 ADELINDA YEE . . . 6272 4 CHERYL ARROWSMITH . . . 6272 5 DAVID WISHART . S. . 6272 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6272 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 829 6272 '13C chemical shifts' 463 6272 '15N chemical shifts' 110 6272 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 . . 2005-10-28 2004-07-23 original author . 6272 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6272 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C AND 15N NMR Assignments of MTH0776 from Methanobacterium thermoautotrophicum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 4 _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 459 _Citation.Page_last 460 _Citation.Year 2004 _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 GODWIN AMEGBEY . Y. . 6272 1 2 ZHAN CHANG . . . 6272 1 3 PAUL STOTHARD . . . 6272 1 4 ADELINDA YEE . . . 6272 1 5 CHERYL ARROWSMITH . . . 6272 1 6 DAVID WISHART . S. . 6272 1 stop_ save_ save_ref_citation _Citation.Sf_category citations _Citation.Sf_framecode ref_citation _Citation.Entry_ID 6272 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of MTH0776 from Methanobacterium Thermoautotrophicum' _Citation.Status . _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 1 _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 51 _Citation.Page_last 56 _Citation.Year 2005 _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 GODWIN AMEGBEY . . . 6272 2 2 PAUL STOTHARD . . . 6272 2 3 EKATERINA KUZNETSOVA . . . 6272 2 4 ADELINDA YEE . . . 6272 2 5 CHERYL ARROWSMITH . H. . 6272 2 6 DAVID WISHART . S. . 6272 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6272 _Assembly.ID 1 _Assembly.Name MTH0776 _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 protein 6272 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 'Conserved protein from methanobacterium thermoautotrophicum' 1 $MTH0776 . . . native . . . . . 6272 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 yes REFSEQ NC_000916.1 . . . . . . 6272 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MTH0776 system 6272 1 MTH0776 abbreviation 6272 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH0776 _Entity.Sf_category entity _Entity.Sf_framecode MTH0776 _Entity.Entry_ID 6272 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MTH0776 _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 ; MGSSHHHHHHSSGLVPRGSH MTFCLETYLQQSGEYEIHMK RAGFRECAAMIEKKARRVVH IKPGEKILGARIIGIPPVPI GIDEERSTVMIPYTKPCYGT AVVELPVDPEEIERILEVAE P ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11397.37 _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 1Z9V . "Solution Structure Of Mth0776 From Methanobacterium Thermoautotrophicum (Strain H)" . . . . . 100.00 121 100.00 100.00 2.75e-80 . . . . 6272 1 2 no DBJ BAM69944 . "conserved hypothetical protein [Methanothermobacter thermautotrophicus CaT2]" . . . . . 83.47 101 99.01 100.00 3.78e-64 . . . . 6272 1 3 no GB AAB85279 . "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 83.47 101 100.00 100.00 1.65e-64 . . . . 6272 1 4 no REF NP_275918 . "hypothetical protein MTH776 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 83.47 101 100.00 100.00 1.65e-64 . . . . 6272 1 5 no REF WP_010876414 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 83.47 101 100.00 100.00 1.65e-64 . . . . 6272 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MTH0776 common 6272 1 MTH0776 abbreviation 6272 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 -20 MET . 6272 1 2 -19 GLY . 6272 1 3 -18 SER . 6272 1 4 -17 SER . 6272 1 5 -16 HIS . 6272 1 6 -15 HIS . 6272 1 7 -14 HIS . 6272 1 8 -13 HIS . 6272 1 9 -12 HIS . 6272 1 10 -11 HIS . 6272 1 11 -10 SER . 6272 1 12 -9 SER . 6272 1 13 -8 GLY . 6272 1 14 -7 LEU . 6272 1 15 -6 VAL . 6272 1 16 -5 PRO . 6272 1 17 -4 ARG . 6272 1 18 -3 GLY . 6272 1 19 -2 SER . 6272 1 20 -1 HIS . 6272 1 21 1 MET . 6272 1 22 2 THR . 6272 1 23 3 PHE . 6272 1 24 4 CYS . 6272 1 25 5 LEU . 6272 1 26 6 GLU . 6272 1 27 7 THR . 6272 1 28 8 TYR . 6272 1 29 9 LEU . 6272 1 30 10 GLN . 6272 1 31 11 GLN . 6272 1 32 12 SER . 6272 1 33 13 GLY . 6272 1 34 14 GLU . 6272 1 35 15 TYR . 6272 1 36 16 GLU . 6272 1 37 17 ILE . 6272 1 38 18 HIS . 6272 1 39 19 MET . 6272 1 40 20 LYS . 6272 1 41 21 ARG . 6272 1 42 22 ALA . 6272 1 43 23 GLY . 6272 1 44 24 PHE . 6272 1 45 25 ARG . 6272 1 46 26 GLU . 6272 1 47 27 CYS . 6272 1 48 28 ALA . 6272 1 49 29 ALA . 6272 1 50 30 MET . 6272 1 51 31 ILE . 6272 1 52 32 GLU . 6272 1 53 33 LYS . 6272 1 54 34 LYS . 6272 1 55 35 ALA . 6272 1 56 36 ARG . 6272 1 57 37 ARG . 6272 1 58 38 VAL . 6272 1 59 39 VAL . 6272 1 60 40 HIS . 6272 1 61 41 ILE . 6272 1 62 42 LYS . 6272 1 63 43 PRO . 6272 1 64 44 GLY . 6272 1 65 45 GLU . 6272 1 66 46 LYS . 6272 1 67 47 ILE . 6272 1 68 48 LEU . 6272 1 69 49 GLY . 6272 1 70 50 ALA . 6272 1 71 51 ARG . 6272 1 72 52 ILE . 6272 1 73 53 ILE . 6272 1 74 54 GLY . 6272 1 75 55 ILE . 6272 1 76 56 PRO . 6272 1 77 57 PRO . 6272 1 78 58 VAL . 6272 1 79 59 PRO . 6272 1 80 60 ILE . 6272 1 81 61 GLY . 6272 1 82 62 ILE . 6272 1 83 63 ASP . 6272 1 84 64 GLU . 6272 1 85 65 GLU . 6272 1 86 66 ARG . 6272 1 87 67 SER . 6272 1 88 68 THR . 6272 1 89 69 VAL . 6272 1 90 70 MET . 6272 1 91 71 ILE . 6272 1 92 72 PRO . 6272 1 93 73 TYR . 6272 1 94 74 THR . 6272 1 95 75 LYS . 6272 1 96 76 PRO . 6272 1 97 77 CYS . 6272 1 98 78 TYR . 6272 1 99 79 GLY . 6272 1 100 80 THR . 6272 1 101 81 ALA . 6272 1 102 82 VAL . 6272 1 103 83 VAL . 6272 1 104 84 GLU . 6272 1 105 85 LEU . 6272 1 106 86 PRO . 6272 1 107 87 VAL . 6272 1 108 88 ASP . 6272 1 109 89 PRO . 6272 1 110 90 GLU . 6272 1 111 91 GLU . 6272 1 112 92 ILE . 6272 1 113 93 GLU . 6272 1 114 94 ARG . 6272 1 115 95 ILE . 6272 1 116 96 LEU . 6272 1 117 97 GLU . 6272 1 118 98 VAL . 6272 1 119 99 ALA . 6272 1 120 100 GLU . 6272 1 121 101 PRO . 6272 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 6272 1 . GLY 2 2 6272 1 . SER 3 3 6272 1 . SER 4 4 6272 1 . HIS 5 5 6272 1 . HIS 6 6 6272 1 . HIS 7 7 6272 1 . HIS 8 8 6272 1 . HIS 9 9 6272 1 . HIS 10 10 6272 1 . SER 11 11 6272 1 . SER 12 12 6272 1 . GLY 13 13 6272 1 . LEU 14 14 6272 1 . VAL 15 15 6272 1 . PRO 16 16 6272 1 . ARG 17 17 6272 1 . GLY 18 18 6272 1 . SER 19 19 6272 1 . HIS 20 20 6272 1 . MET 21 21 6272 1 . THR 22 22 6272 1 . PHE 23 23 6272 1 . CYS 24 24 6272 1 . LEU 25 25 6272 1 . GLU 26 26 6272 1 . THR 27 27 6272 1 . TYR 28 28 6272 1 . LEU 29 29 6272 1 . GLN 30 30 6272 1 . GLN 31 31 6272 1 . SER 32 32 6272 1 . GLY 33 33 6272 1 . GLU 34 34 6272 1 . TYR 35 35 6272 1 . GLU 36 36 6272 1 . ILE 37 37 6272 1 . HIS 38 38 6272 1 . MET 39 39 6272 1 . LYS 40 40 6272 1 . ARG 41 41 6272 1 . ALA 42 42 6272 1 . GLY 43 43 6272 1 . PHE 44 44 6272 1 . ARG 45 45 6272 1 . GLU 46 46 6272 1 . CYS 47 47 6272 1 . ALA 48 48 6272 1 . ALA 49 49 6272 1 . MET 50 50 6272 1 . ILE 51 51 6272 1 . GLU 52 52 6272 1 . LYS 53 53 6272 1 . LYS 54 54 6272 1 . ALA 55 55 6272 1 . ARG 56 56 6272 1 . ARG 57 57 6272 1 . VAL 58 58 6272 1 . VAL 59 59 6272 1 . HIS 60 60 6272 1 . ILE 61 61 6272 1 . LYS 62 62 6272 1 . PRO 63 63 6272 1 . GLY 64 64 6272 1 . GLU 65 65 6272 1 . LYS 66 66 6272 1 . ILE 67 67 6272 1 . LEU 68 68 6272 1 . GLY 69 69 6272 1 . ALA 70 70 6272 1 . ARG 71 71 6272 1 . ILE 72 72 6272 1 . ILE 73 73 6272 1 . GLY 74 74 6272 1 . ILE 75 75 6272 1 . PRO 76 76 6272 1 . PRO 77 77 6272 1 . VAL 78 78 6272 1 . PRO 79 79 6272 1 . ILE 80 80 6272 1 . GLY 81 81 6272 1 . ILE 82 82 6272 1 . ASP 83 83 6272 1 . GLU 84 84 6272 1 . GLU 85 85 6272 1 . ARG 86 86 6272 1 . SER 87 87 6272 1 . THR 88 88 6272 1 . VAL 89 89 6272 1 . MET 90 90 6272 1 . ILE 91 91 6272 1 . PRO 92 92 6272 1 . TYR 93 93 6272 1 . THR 94 94 6272 1 . LYS 95 95 6272 1 . PRO 96 96 6272 1 . CYS 97 97 6272 1 . TYR 98 98 6272 1 . GLY 99 99 6272 1 . THR 100 100 6272 1 . ALA 101 101 6272 1 . VAL 102 102 6272 1 . VAL 103 103 6272 1 . GLU 104 104 6272 1 . LEU 105 105 6272 1 . PRO 106 106 6272 1 . VAL 107 107 6272 1 . ASP 108 108 6272 1 . PRO 109 109 6272 1 . GLU 110 110 6272 1 . GLU 111 111 6272 1 . ILE 112 112 6272 1 . GLU 113 113 6272 1 . ARG 114 114 6272 1 . ILE 115 115 6272 1 . LEU 116 116 6272 1 . GLU 117 117 6272 1 . VAL 118 118 6272 1 . ALA 119 119 6272 1 . GLU 120 120 6272 1 . PRO 121 121 6272 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 6272 _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 $MTH0776 . 145262 organism . 'Methanothermobacter thermautotrophicus' 'Methanobacterium thermoautotrophicum' . . Archaea . Methanothermobacter thermautotrophicus . . . . . . . . . . . . . . . . . . . . . 6272 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 6272 _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 $MTH0776 . 'recombinant technology' 'Escherichia coli' 'E. COLI' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6272 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 6272 _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 MTH0776 '[U-100% 13C; U-100% 15N]' . . 1 $MTH0776 . . 1 . . mM . . . . 6272 1 2 NaH2PO4 . . . . . . . 50 . . mM . . . . 6272 1 3 NaCL . . . . . . . 300 . . mM . . . . 6272 1 4 DTT . . . . . . . 15 . . mM . . . . 6272 1 5 NaN3 . . . . . . . 0.06 . . % . . . . 6272 1 6 DSS . . . . . . . 0.1 . . mM . . . . 6272 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6272 _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 6.8 0.1 pH 6272 1 temperature 298 . K 6272 1 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 6272 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6272 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _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 6272 _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 . 500 . . . 6272 1 2 NMR_spectrometer_2 VARIAN INOVA . 800 . . . 6272 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 6272 _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 '2D 15N HSQC' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 2 '2D 13C HSQC' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 4 '3D HNCACB' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 5 HNCA . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 6 'CBCA (CO) NH' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 7 HNCO . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 8 HNHA . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 9 '3D H (CCO) NH' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 10 'C (CO) NH' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 11 'DE-H (C) CH-TOCSY' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 12 '3D 1H-15N NOESY' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 1 13 '13C NOESY' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6272 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 6272 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 15N 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6272 _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 6272 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'CBCA (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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 7 _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 8 _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D H (CCO) 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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'C (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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'DE-H (C) CH-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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 1H-15N 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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6272 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '13C 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 6272 _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 protons . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . 6272 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 6272 1 C 13 DSS nitrogen . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 6272 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6272 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 '2D 15N HSQC' 1 $sample . 6272 1 2 '2D 13C HSQC' 1 $sample . 6272 1 3 '2D 1H-1H NOESY' 1 $sample . 6272 1 4 '3D HNCACB' 1 $sample . 6272 1 5 HNCA 1 $sample . 6272 1 6 'CBCA (CO) NH' 1 $sample . 6272 1 7 HNCO 1 $sample . 6272 1 8 HNHA 1 $sample . 6272 1 9 '3D H (CCO) NH' 1 $sample . 6272 1 10 'C (CO) NH' 1 $sample . 6272 1 11 'DE-H (C) CH-TOCSY' 1 $sample . 6272 1 12 '3D 1H-15N NOESY' 1 $sample . 6272 1 13 '13C NOESY' 1 $sample . 6272 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 HA H 1 4.03 0.01 . 1 . . . . . . . . 6272 1 2 . 1 1 1 1 MET HB2 H 1 1.78 0.01 . 1 . . . . . . . . 6272 1 3 . 1 1 1 1 MET HB3 H 1 1.78 0.01 . 1 . . . . . . . . 6272 1 4 . 1 1 1 1 MET HG2 H 1 1.94 0.01 . 1 . . . . . . . . 6272 1 5 . 1 1 1 1 MET HG3 H 1 1.94 0.01 . 1 . . . . . . . . 6272 1 6 . 1 1 1 1 MET C C 13 177.21 0.05 . 1 . . . . . . . . 6272 1 7 . 1 1 1 1 MET CA C 13 56.18 0.05 . 1 . . . . . . . . 6272 1 8 . 1 1 1 1 MET CB C 13 31.22 0.05 . 1 . . . . . . . . 6272 1 9 . 1 1 2 2 GLY H H 1 7.98 0.01 . 1 . . . . . . . . 6272 1 10 . 1 1 2 2 GLY HA2 H 1 4.05 0.01 . 1 . . . . . . . . 6272 1 11 . 1 1 2 2 GLY HA3 H 1 4.05 0.01 . 1 . . . . . . . . 6272 1 12 . 1 1 2 2 GLY C C 13 174.33 0.05 . 1 . . . . . . . . 6272 1 13 . 1 1 2 2 GLY CA C 13 45.35 0.05 . 1 . . . . . . . . 6272 1 14 . 1 1 2 2 GLY N N 15 114.85 0.05 . 1 . . . . . . . . 6272 1 15 . 1 1 3 3 SER H H 1 8.17 0.01 . 1 . . . . . . . . 6272 1 16 . 1 1 3 3 SER HA H 1 4.51 0.01 . 1 . . . . . . . . 6272 1 17 . 1 1 3 3 SER HB2 H 1 3.76 0.01 . 1 . . . . . . . . 6272 1 18 . 1 1 3 3 SER HB3 H 1 3.76 0.01 . 1 . . . . . . . . 6272 1 19 . 1 1 3 3 SER C C 13 175.56 0.05 . 1 . . . . . . . . 6272 1 20 . 1 1 3 3 SER CA C 13 58.04 0.05 . 1 . . . . . . . . 6272 1 21 . 1 1 3 3 SER CB C 13 63.91 0.05 . 1 . . . . . . . . 6272 1 22 . 1 1 3 3 SER N N 15 115.33 0.05 . 1 . . . . . . . . 6272 1 23 . 1 1 4 4 SER H H 1 8.07 0.01 . 1 . . . . . . . . 6272 1 24 . 1 1 4 4 SER HA H 1 4.05 0.01 . 1 . . . . . . . . 6272 1 25 . 1 1 4 4 SER HB2 H 1 3.24 0.01 . 1 . . . . . . . . 6272 1 26 . 1 1 4 4 SER HB3 H 1 3.24 0.01 . 1 . . . . . . . . 6272 1 27 . 1 1 4 4 SER CA C 13 58.34 0.05 . 1 . . . . . . . . 6272 1 28 . 1 1 4 4 SER CB C 13 64.86 0.05 . 1 . . . . . . . . 6272 1 29 . 1 1 4 4 SER N N 15 115.03 0.05 . 1 . . . . . . . . 6272 1 30 . 1 1 6 6 HIS HA H 1 4.35 0.01 . 1 . . . . . . . . 6272 1 31 . 1 1 6 6 HIS HB2 H 1 3.18 0.01 . 1 . . . . . . . . 6272 1 32 . 1 1 6 6 HIS HB3 H 1 3.18 0.01 . 1 . . . . . . . . 6272 1 33 . 1 1 6 6 HIS C C 13 175.58 0.05 . 1 . . . . . . . . 6272 1 34 . 1 1 7 7 HIS H H 1 8.21 0.01 . 1 . . . . . . . . 6272 1 35 . 1 1 7 7 HIS HA H 1 4.44 0.01 . 1 . . . . . . . . 6272 1 36 . 1 1 7 7 HIS HB2 H 1 3.12 0.01 . 2 . . . . . . . . 6272 1 37 . 1 1 7 7 HIS HB3 H 1 3.00 0.01 . 2 . . . . . . . . 6272 1 38 . 1 1 7 7 HIS C C 13 176.54 0.05 . 1 . . . . . . . . 6272 1 39 . 1 1 7 7 HIS CA C 13 56.57 0.05 . 1 . . . . . . . . 6272 1 40 . 1 1 7 7 HIS CB C 13 30.54 0.05 . 1 . . . . . . . . 6272 1 41 . 1 1 7 7 HIS N N 15 122.08 0.05 . 1 . . . . . . . . 6272 1 42 . 1 1 8 8 HIS H H 1 8.10 0.01 . 1 . . . . . . . . 6272 1 43 . 1 1 8 8 HIS HA H 1 4.51 0.01 . 1 . . . . . . . . 6272 1 44 . 1 1 8 8 HIS HB2 H 1 2.86 0.01 . 1 . . . . . . . . 6272 1 45 . 1 1 8 8 HIS HB3 H 1 2.86 0.01 . 1 . . . . . . . . 6272 1 46 . 1 1 8 8 HIS C C 13 177.52 0.05 . 1 . . . . . . . . 6272 1 47 . 1 1 8 8 HIS CA C 13 56.96 0.05 . 1 . . . . . . . . 6272 1 48 . 1 1 8 8 HIS CB C 13 30.53 0.05 . 1 . . . . . . . . 6272 1 49 . 1 1 8 8 HIS N N 15 120.63 0.05 . 1 . . . . . . . . 6272 1 50 . 1 1 9 9 HIS H H 1 8.21 0.01 . 1 . . . . . . . . 6272 1 51 . 1 1 9 9 HIS HA H 1 4.37 0.01 . 1 . . . . . . . . 6272 1 52 . 1 1 9 9 HIS HB2 H 1 3.24 0.01 . 1 . . . . . . . . 6272 1 53 . 1 1 9 9 HIS C C 13 176.13 0.05 . 1 . . . . . . . . 6272 1 54 . 1 1 9 9 HIS CA C 13 56.49 0.05 . 1 . . . . . . . . 6272 1 55 . 1 1 9 9 HIS CB C 13 30.38 0.05 . 1 . . . . . . . . 6272 1 56 . 1 1 9 9 HIS N N 15 121.11 0.05 . 1 . . . . . . . . 6272 1 57 . 1 1 10 10 HIS H H 1 8.33 0.01 . 1 . . . . . . . . 6272 1 58 . 1 1 10 10 HIS HA H 1 4.66 0.01 . 1 . . . . . . . . 6272 1 59 . 1 1 10 10 HIS HB2 H 1 2.73 0.01 . 1 . . . . . . . . 6272 1 60 . 1 1 10 10 HIS HB3 H 1 2.73 0.01 . 1 . . . . . . . . 6272 1 61 . 1 1 10 10 HIS C C 13 176.00 0.05 . 1 . . . . . . . . 6272 1 62 . 1 1 10 10 HIS CA C 13 55.94 0.05 . 1 . . . . . . . . 6272 1 63 . 1 1 10 10 HIS CB C 13 30.80 0.05 . 1 . . . . . . . . 6272 1 64 . 1 1 10 10 HIS N N 15 124.49 0.05 . 1 . . . . . . . . 6272 1 65 . 1 1 11 11 SER H H 1 8.72 0.01 . 1 . . . . . . . . 6272 1 66 . 1 1 11 11 SER HA H 1 4.46 0.01 . 1 . . . . . . . . 6272 1 67 . 1 1 11 11 SER HB2 H 1 4.04 0.01 . 1 . . . . . . . . 6272 1 68 . 1 1 11 11 SER HB3 H 1 4.04 0.01 . 1 . . . . . . . . 6272 1 69 . 1 1 11 11 SER C C 13 174.83 0.05 . 1 . . . . . . . . 6272 1 70 . 1 1 11 11 SER CA C 13 58.48 0.05 . 1 . . . . . . . . 6272 1 71 . 1 1 11 11 SER CB C 13 63.88 0.05 . 1 . . . . . . . . 6272 1 72 . 1 1 11 11 SER N N 15 121.11 0.05 . 1 . . . . . . . . 6272 1 73 . 1 1 12 12 SER H H 1 8.46 0.01 . 1 . . . . . . . . 6272 1 74 . 1 1 12 12 SER HA H 1 4.54 0.01 . 1 . . . . . . . . 6272 1 75 . 1 1 12 12 SER HB2 H 1 3.97 0.01 . 1 . . . . . . . . 6272 1 76 . 1 1 12 12 SER HB3 H 1 3.97 0.01 . 1 . . . . . . . . 6272 1 77 . 1 1 12 12 SER C C 13 176.97 0.05 . 1 . . . . . . . . 6272 1 78 . 1 1 12 12 SER CA C 13 58.64 0.05 . 1 . . . . . . . . 6272 1 79 . 1 1 12 12 SER CB C 13 63.81 0.05 . 1 . . . . . . . . 6272 1 80 . 1 1 12 12 SER N N 15 117.74 0.05 . 1 . . . . . . . . 6272 1 81 . 1 1 13 13 GLY H H 1 8.40 0.01 . 1 . . . . . . . . 6272 1 82 . 1 1 13 13 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 6272 1 83 . 1 1 13 13 GLY HA3 H 1 4.03 0.01 . 1 . . . . . . . . 6272 1 84 . 1 1 13 13 GLY C C 13 173.84 0.05 . 1 . . . . . . . . 6272 1 85 . 1 1 13 13 GLY CA C 13 45.29 0.05 . 1 . . . . . . . . 6272 1 86 . 1 1 13 13 GLY N N 15 110.03 0.05 . 1 . . . . . . . . 6272 1 87 . 1 1 14 14 LEU H H 1 8.03 0.01 . 1 . . . . . . . . 6272 1 88 . 1 1 14 14 LEU HA H 1 4.42 0.01 . 1 . . . . . . . . 6272 1 89 . 1 1 14 14 LEU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 6272 1 90 . 1 1 14 14 LEU HB3 H 1 1.67 0.01 . 2 . . . . . . . . 6272 1 91 . 1 1 14 14 LEU HG H 1 1.34 0.01 . 1 . . . . . . . . 6272 1 92 . 1 1 14 14 LEU HD11 H 1 1.16 0.01 . 1 . . . . . . . . 6272 1 93 . 1 1 14 14 LEU HD12 H 1 1.16 0.01 . 1 . . . . . . . . 6272 1 94 . 1 1 14 14 LEU HD13 H 1 1.16 0.01 . 1 . . . . . . . . 6272 1 95 . 1 1 14 14 LEU HD21 H 1 1.16 0.01 . 1 . . . . . . . . 6272 1 96 . 1 1 14 14 LEU HD22 H 1 1.16 0.01 . 1 . . . . . . . . 6272 1 97 . 1 1 14 14 LEU HD23 H 1 1.16 0.01 . 1 . . . . . . . . 6272 1 98 . 1 1 14 14 LEU C C 13 177.06 0.05 . 1 . . . . . . . . 6272 1 99 . 1 1 14 14 LEU CA C 13 55.07 0.05 . 1 . . . . . . . . 6272 1 100 . 1 1 14 14 LEU CB C 13 42.39 0.05 . 1 . . . . . . . . 6272 1 101 . 1 1 14 14 LEU CG C 13 26.93 0.05 . 1 . . . . . . . . 6272 1 102 . 1 1 14 14 LEU CD1 C 13 24.88 0.05 . 1 . . . . . . . . 6272 1 103 . 1 1 14 14 LEU CD2 C 13 23.36 0.05 . 1 . . . . . . . . 6272 1 104 . 1 1 14 14 LEU N N 15 121.11 0.05 . 1 . . . . . . . . 6272 1 105 . 1 1 15 15 VAL H H 1 8.07 0.01 . 1 . . . . . . . . 6272 1 106 . 1 1 15 15 VAL HA H 1 4.10 0.01 . 1 . . . . . . . . 6272 1 107 . 1 1 15 15 VAL HB H 1 1.96 0.01 . 1 . . . . . . . . 6272 1 108 . 1 1 15 15 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 6272 1 109 . 1 1 15 15 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 6272 1 110 . 1 1 15 15 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 6272 1 111 . 1 1 15 15 VAL HG21 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 112 . 1 1 15 15 VAL HG22 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 113 . 1 1 15 15 VAL HG23 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 114 . 1 1 15 15 VAL CA C 13 59.61 0.05 . 1 . . . . . . . . 6272 1 115 . 1 1 15 15 VAL CB C 13 32.67 0.05 . 1 . . . . . . . . 6272 1 116 . 1 1 15 15 VAL N N 15 121.60 0.05 . 1 . . . . . . . . 6272 1 117 . 1 1 16 16 PRO HA H 1 4.45 0.01 . 1 . . . . . . . . 6272 1 118 . 1 1 16 16 PRO HB2 H 1 2.14 0.01 . 1 . . . . . . . . 6272 1 119 . 1 1 16 16 PRO HB3 H 1 2.14 0.01 . 1 . . . . . . . . 6272 1 120 . 1 1 16 16 PRO HG2 H 1 1.96 0.01 . 2 . . . . . . . . 6272 1 121 . 1 1 16 16 PRO HG3 H 1 1.69 0.01 . 2 . . . . . . . . 6272 1 122 . 1 1 16 16 PRO HD2 H 1 3.24 0.01 . 1 . . . . . . . . 6272 1 123 . 1 1 16 16 PRO HD3 H 1 3.24 0.01 . 1 . . . . . . . . 6272 1 124 . 1 1 16 16 PRO C C 13 176.12 0.05 . 1 . . . . . . . . 6272 1 125 . 1 1 16 16 PRO CA C 13 63.10 0.05 . 1 . . . . . . . . 6272 1 126 . 1 1 16 16 PRO CB C 13 31.98 0.05 . 1 . . . . . . . . 6272 1 127 . 1 1 16 16 PRO CG C 13 24.06 0.05 . 1 . . . . . . . . 6272 1 128 . 1 1 16 16 PRO CD C 13 51.61 0.05 . 1 . . . . . . . . 6272 1 129 . 1 1 17 17 ARG H H 1 8.45 0.01 . 1 . . . . . . . . 6272 1 130 . 1 1 17 17 ARG HA H 1 4.40 0.01 . 1 . . . . . . . . 6272 1 131 . 1 1 17 17 ARG HB2 H 1 1.74 0.01 . 1 . . . . . . . . 6272 1 132 . 1 1 17 17 ARG HB3 H 1 1.74 0.01 . 1 . . . . . . . . 6272 1 133 . 1 1 17 17 ARG HG2 H 1 1.61 0.01 . 1 . . . . . . . . 6272 1 134 . 1 1 17 17 ARG HG3 H 1 1.61 0.01 . 1 . . . . . . . . 6272 1 135 . 1 1 17 17 ARG HD2 H 1 3.24 0.01 . 2 . . . . . . . . 6272 1 136 . 1 1 17 17 ARG HD3 H 1 3.00 0.01 . 2 . . . . . . . . 6272 1 137 . 1 1 17 17 ARG C C 13 177.12 0.05 . 1 . . . . . . . . 6272 1 138 . 1 1 17 17 ARG CA C 13 56.31 0.05 . 1 . . . . . . . . 6272 1 139 . 1 1 17 17 ARG CB C 13 30.78 0.05 . 1 . . . . . . . . 6272 1 140 . 1 1 17 17 ARG CG C 13 27.07 0.05 . 1 . . . . . . . . 6272 1 141 . 1 1 17 17 ARG CD C 13 43.34 0.05 . 1 . . . . . . . . 6272 1 142 . 1 1 17 17 ARG N N 15 122.56 0.05 . 1 . . . . . . . . 6272 1 143 . 1 1 18 18 GLY H H 1 8.51 0.01 . 1 . . . . . . . . 6272 1 144 . 1 1 18 18 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 6272 1 145 . 1 1 18 18 GLY HA3 H 1 4.03 0.01 . 1 . . . . . . . . 6272 1 146 . 1 1 18 18 GLY C C 13 174.33 0.05 . 1 . . . . . . . . 6272 1 147 . 1 1 18 18 GLY CA C 13 45.38 0.05 . 1 . . . . . . . . 6272 1 148 . 1 1 18 18 GLY N N 15 110.03 0.05 . 1 . . . . . . . . 6272 1 149 . 1 1 19 19 SER H H 1 8.24 0.01 . 1 . . . . . . . . 6272 1 150 . 1 1 19 19 SER HA H 1 4.70 0.01 . 1 . . . . . . . . 6272 1 151 . 1 1 19 19 SER HB2 H 1 3.65 0.01 . 1 . . . . . . . . 6272 1 152 . 1 1 19 19 SER HB3 H 1 3.65 0.01 . 1 . . . . . . . . 6272 1 153 . 1 1 19 19 SER C C 13 175.86 0.05 . 1 . . . . . . . . 6272 1 154 . 1 1 19 19 SER CA C 13 58.52 0.05 . 1 . . . . . . . . 6272 1 155 . 1 1 19 19 SER CB C 13 63.89 0.05 . 1 . . . . . . . . 6272 1 156 . 1 1 19 19 SER N N 15 115.81 0.05 . 1 . . . . . . . . 6272 1 157 . 1 1 20 20 HIS H H 1 8.81 0.01 . 1 . . . . . . . . 6272 1 158 . 1 1 20 20 HIS HA H 1 4.51 0.01 . 1 . . . . . . . . 6272 1 159 . 1 1 20 20 HIS HB2 H 1 2.93 0.01 . 1 . . . . . . . . 6272 1 160 . 1 1 20 20 HIS HB3 H 1 2.93 0.01 . 1 . . . . . . . . 6272 1 161 . 1 1 20 20 HIS C C 13 174.45 0.05 . 1 . . . . . . . . 6272 1 162 . 1 1 20 20 HIS CA C 13 56.83 0.05 . 1 . . . . . . . . 6272 1 163 . 1 1 20 20 HIS CB C 13 33.09 0.05 . 1 . . . . . . . . 6272 1 164 . 1 1 20 20 HIS N N 15 123.04 0.05 . 1 . . . . . . . . 6272 1 165 . 1 1 21 21 MET H H 1 8.23 0.01 . 1 . . . . . . . . 6272 1 166 . 1 1 21 21 MET HA H 1 4.30 0.01 . 1 . . . . . . . . 6272 1 167 . 1 1 21 21 MET HB2 H 1 2.24 0.01 . 1 . . . . . . . . 6272 1 168 . 1 1 21 21 MET HB3 H 1 2.24 0.01 . 1 . . . . . . . . 6272 1 169 . 1 1 21 21 MET HG2 H 1 2.64 0.01 . 2 . . . . . . . . 6272 1 170 . 1 1 21 21 MET HG3 H 1 2.49 0.01 . 2 . . . . . . . . 6272 1 171 . 1 1 21 21 MET C C 13 175.89 0.05 . 1 . . . . . . . . 6272 1 172 . 1 1 21 21 MET CA C 13 55.62 0.05 . 1 . . . . . . . . 6272 1 173 . 1 1 21 21 MET CB C 13 32.97 0.05 . 1 . . . . . . . . 6272 1 174 . 1 1 21 21 MET CG C 13 31.98 0.05 . 1 . . . . . . . . 6272 1 175 . 1 1 21 21 MET N N 15 121.11 0.05 . 1 . . . . . . . . 6272 1 176 . 1 1 22 22 THR H H 1 8.13 0.01 . 1 . . . . . . . . 6272 1 177 . 1 1 22 22 THR HA H 1 4.41 0.01 . 1 . . . . . . . . 6272 1 178 . 1 1 22 22 THR HB H 1 3.98 0.01 . 1 . . . . . . . . 6272 1 179 . 1 1 22 22 THR HG21 H 1 1.25 0.01 . 1 . . . . . . . . 6272 1 180 . 1 1 22 22 THR HG22 H 1 1.25 0.01 . 1 . . . . . . . . 6272 1 181 . 1 1 22 22 THR HG23 H 1 1.25 0.01 . 1 . . . . . . . . 6272 1 182 . 1 1 22 22 THR C C 13 173.90 0.05 . 1 . . . . . . . . 6272 1 183 . 1 1 22 22 THR CA C 13 61.67 0.05 . 1 . . . . . . . . 6272 1 184 . 1 1 22 22 THR CB C 13 69.84 0.05 . 1 . . . . . . . . 6272 1 185 . 1 1 22 22 THR CG2 C 13 21.46 0.05 . 1 . . . . . . . . 6272 1 186 . 1 1 22 22 THR N N 15 114.85 0.05 . 1 . . . . . . . . 6272 1 187 . 1 1 23 23 PHE H H 1 8.38 0.01 . 1 . . . . . . . . 6272 1 188 . 1 1 23 23 PHE HA H 1 4.33 0.01 . 1 . . . . . . . . 6272 1 189 . 1 1 23 23 PHE HB2 H 1 2.85 0.01 . 1 . . . . . . . . 6272 1 190 . 1 1 23 23 PHE HB3 H 1 2.75 0.01 . 1 . . . . . . . . 6272 1 191 . 1 1 23 23 PHE HD1 H 1 7.16 0.01 . 1 . . . . . . . . 6272 1 192 . 1 1 23 23 PHE HD2 H 1 7.16 0.01 . 1 . . . . . . . . 6272 1 193 . 1 1 23 23 PHE HE1 H 1 7.41 0.01 . 1 . . . . . . . . 6272 1 194 . 1 1 23 23 PHE HE2 H 1 7.41 0.01 . 1 . . . . . . . . 6272 1 195 . 1 1 23 23 PHE HZ H 1 7.25 0.01 . 1 . . . . . . . . 6272 1 196 . 1 1 23 23 PHE C C 13 174.23 0.05 . 1 . . . . . . . . 6272 1 197 . 1 1 23 23 PHE CA C 13 58.77 0.05 . 1 . . . . . . . . 6272 1 198 . 1 1 23 23 PHE CB C 13 40.22 0.05 . 1 . . . . . . . . 6272 1 199 . 1 1 23 23 PHE CD1 C 13 132.21 0.05 . 1 . . . . . . . . 6272 1 200 . 1 1 23 23 PHE CD2 C 13 132.21 0.05 . 1 . . . . . . . . 6272 1 201 . 1 1 23 23 PHE CE1 C 13 131.83 0.05 . 1 . . . . . . . . 6272 1 202 . 1 1 23 23 PHE CE2 C 13 131.83 0.05 . 1 . . . . . . . . 6272 1 203 . 1 1 23 23 PHE CZ C 13 133.34 0.05 . 1 . . . . . . . . 6272 1 204 . 1 1 23 23 PHE N N 15 124.49 0.05 . 1 . . . . . . . . 6272 1 205 . 1 1 24 24 CYS H H 1 7.78 0.01 . 1 . . . . . . . . 6272 1 206 . 1 1 24 24 CYS HA H 1 4.57 0.01 . 1 . . . . . . . . 6272 1 207 . 1 1 24 24 CYS HB2 H 1 3.23 0.01 . 1 . . . . . . . . 6272 1 208 . 1 1 24 24 CYS HB3 H 1 2.86 0.01 . 1 . . . . . . . . 6272 1 209 . 1 1 24 24 CYS C C 13 174.48 0.05 . 1 . . . . . . . . 6272 1 210 . 1 1 24 24 CYS CA C 13 57.19 0.05 . 1 . . . . . . . . 6272 1 211 . 1 1 24 24 CYS CB C 13 28.75 0.05 . 1 . . . . . . . . 6272 1 212 . 1 1 24 24 CYS N N 15 126.42 0.05 . 1 . . . . . . . . 6272 1 213 . 1 1 25 25 LEU H H 1 8.87 0.01 . 1 . . . . . . . . 6272 1 214 . 1 1 25 25 LEU HA H 1 4.52 0.01 . 1 . . . . . . . . 6272 1 215 . 1 1 25 25 LEU HB2 H 1 2.02 0.01 . 1 . . . . . . . . 6272 1 216 . 1 1 25 25 LEU HB3 H 1 1.96 0.01 . 1 . . . . . . . . 6272 1 217 . 1 1 25 25 LEU HG H 1 1.73 0.01 . 1 . . . . . . . . 6272 1 218 . 1 1 25 25 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 6272 1 219 . 1 1 25 25 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 6272 1 220 . 1 1 25 25 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 6272 1 221 . 1 1 25 25 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 222 . 1 1 25 25 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 223 . 1 1 25 25 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 224 . 1 1 25 25 LEU C C 13 175.72 0.05 . 1 . . . . . . . . 6272 1 225 . 1 1 25 25 LEU CA C 13 58.43 0.05 . 1 . . . . . . . . 6272 1 226 . 1 1 25 25 LEU CB C 13 41.84 0.05 . 1 . . . . . . . . 6272 1 227 . 1 1 25 25 LEU CG C 13 25.82 0.05 . 1 . . . . . . . . 6272 1 228 . 1 1 25 25 LEU CD1 C 13 24.17 0.05 . 1 . . . . . . . . 6272 1 229 . 1 1 25 25 LEU CD2 C 13 23.37 0.05 . 1 . . . . . . . . 6272 1 230 . 1 1 25 25 LEU N N 15 129.31 0.05 . 1 . . . . . . . . 6272 1 231 . 1 1 26 26 GLU H H 1 8.51 0.01 . 1 . . . . . . . . 6272 1 232 . 1 1 26 26 GLU HA H 1 4.65 0.01 . 1 . . . . . . . . 6272 1 233 . 1 1 26 26 GLU HB2 H 1 2.07 0.01 . 1 . . . . . . . . 6272 1 234 . 1 1 26 26 GLU HB3 H 1 2.03 0.01 . 1 . . . . . . . . 6272 1 235 . 1 1 26 26 GLU HG2 H 1 2.35 0.01 . 1 . . . . . . . . 6272 1 236 . 1 1 26 26 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 6272 1 237 . 1 1 26 26 GLU C C 13 178.74 0.05 . 1 . . . . . . . . 6272 1 238 . 1 1 26 26 GLU CA C 13 60.32 0.05 . 1 . . . . . . . . 6272 1 239 . 1 1 26 26 GLU CB C 13 29.34 0.05 . 1 . . . . . . . . 6272 1 240 . 1 1 26 26 GLU CG C 13 32.88 0.05 . 1 . . . . . . . . 6272 1 241 . 1 1 26 26 GLU N N 15 116.78 0.05 . 1 . . . . . . . . 6272 1 242 . 1 1 27 27 THR H H 1 7.67 0.01 . 1 . . . . . . . . 6272 1 243 . 1 1 27 27 THR HA H 1 4.21 0.01 . 1 . . . . . . . . 6272 1 244 . 1 1 27 27 THR HB H 1 4.14 0.01 . 1 . . . . . . . . 6272 1 245 . 1 1 27 27 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 6272 1 246 . 1 1 27 27 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 6272 1 247 . 1 1 27 27 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 6272 1 248 . 1 1 27 27 THR C C 13 176.12 0.05 . 1 . . . . . . . . 6272 1 249 . 1 1 27 27 THR CA C 13 65.73 0.05 . 1 . . . . . . . . 6272 1 250 . 1 1 27 27 THR CB C 13 68.52 0.05 . 1 . . . . . . . . 6272 1 251 . 1 1 27 27 THR CG2 C 13 21.95 0.05 . 1 . . . . . . . . 6272 1 252 . 1 1 27 27 THR N N 15 115.33 0.05 . 1 . . . . . . . . 6272 1 253 . 1 1 28 28 TYR H H 1 8.07 0.01 . 1 . . . . . . . . 6272 1 254 . 1 1 28 28 TYR HA H 1 4.05 0.01 . 1 . . . . . . . . 6272 1 255 . 1 1 28 28 TYR HB2 H 1 3.06 0.01 . 1 . . . . . . . . 6272 1 256 . 1 1 28 28 TYR HB3 H 1 2.87 0.01 . 1 . . . . . . . . 6272 1 257 . 1 1 28 28 TYR HD1 H 1 7.24 0.01 . 3 . . . . . . . . 6272 1 258 . 1 1 28 28 TYR HD2 H 1 7.15 0.01 . 3 . . . . . . . . 6272 1 259 . 1 1 28 28 TYR HE1 H 1 6.81 0.01 . 3 . . . . . . . . 6272 1 260 . 1 1 28 28 TYR HE2 H 1 6.72 0.01 . 3 . . . . . . . . 6272 1 261 . 1 1 28 28 TYR C C 13 177.79 0.05 . 1 . . . . . . . . 6272 1 262 . 1 1 28 28 TYR CA C 13 62.05 0.05 . 1 . . . . . . . . 6272 1 263 . 1 1 28 28 TYR CB C 13 39.02 0.05 . 1 . . . . . . . . 6272 1 264 . 1 1 28 28 TYR CD1 C 13 133.32 0.05 . 3 . . . . . . . . 6272 1 265 . 1 1 28 28 TYR CD2 C 13 130.83 0.05 . 3 . . . . . . . . 6272 1 266 . 1 1 28 28 TYR CE1 C 13 119.59 0.05 . 3 . . . . . . . . 6272 1 267 . 1 1 28 28 TYR CE2 C 13 118.20 0.05 . 3 . . . . . . . . 6272 1 268 . 1 1 28 28 TYR N N 15 123.52 0.05 . 1 . . . . . . . . 6272 1 269 . 1 1 29 29 LEU H H 1 8.29 0.01 . 1 . . . . . . . . 6272 1 270 . 1 1 29 29 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 6272 1 271 . 1 1 29 29 LEU HB2 H 1 1.86 0.01 . 1 . . . . . . . . 6272 1 272 . 1 1 29 29 LEU HB3 H 1 1.25 0.01 . 1 . . . . . . . . 6272 1 273 . 1 1 29 29 LEU HG H 1 1.20 0.01 . 1 . . . . . . . . 6272 1 274 . 1 1 29 29 LEU HD11 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 275 . 1 1 29 29 LEU HD12 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 276 . 1 1 29 29 LEU HD13 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 277 . 1 1 29 29 LEU HD21 H 1 0.69 0.01 . 1 . . . . . . . . 6272 1 278 . 1 1 29 29 LEU HD22 H 1 0.69 0.01 . 1 . . . . . . . . 6272 1 279 . 1 1 29 29 LEU HD23 H 1 0.69 0.01 . 1 . . . . . . . . 6272 1 280 . 1 1 29 29 LEU C C 13 179.20 0.05 . 1 . . . . . . . . 6272 1 281 . 1 1 29 29 LEU CA C 13 56.75 0.05 . 1 . . . . . . . . 6272 1 282 . 1 1 29 29 LEU CB C 13 41.06 0.05 . 1 . . . . . . . . 6272 1 283 . 1 1 29 29 LEU CG C 13 33.31 0.05 . 1 . . . . . . . . 6272 1 284 . 1 1 29 29 LEU CD1 C 13 25.75 0.05 . 1 . . . . . . . . 6272 1 285 . 1 1 29 29 LEU CD2 C 13 21.18 0.05 . 1 . . . . . . . . 6272 1 286 . 1 1 29 29 LEU N N 15 115.33 0.05 . 1 . . . . . . . . 6272 1 287 . 1 1 30 30 GLN H H 1 7.56 0.01 . 1 . . . . . . . . 6272 1 288 . 1 1 30 30 GLN HA H 1 4.28 0.01 . 1 . . . . . . . . 6272 1 289 . 1 1 30 30 GLN HB2 H 1 2.31 0.01 . 1 . . . . . . . . 6272 1 290 . 1 1 30 30 GLN HB3 H 1 2.25 0.01 . 1 . . . . . . . . 6272 1 291 . 1 1 30 30 GLN HG2 H 1 2.87 0.01 . 1 . . . . . . . . 6272 1 292 . 1 1 30 30 GLN HG3 H 1 2.54 0.01 . 1 . . . . . . . . 6272 1 293 . 1 1 30 30 GLN HE21 H 1 7.44 0.01 . 1 . . . . . . . . 6272 1 294 . 1 1 30 30 GLN HE22 H 1 6.80 0.01 . 1 . . . . . . . . 6272 1 295 . 1 1 30 30 GLN C C 13 177.27 0.05 . 1 . . . . . . . . 6272 1 296 . 1 1 30 30 GLN CA C 13 57.45 0.05 . 1 . . . . . . . . 6272 1 297 . 1 1 30 30 GLN CB C 13 29.27 0.05 . 1 . . . . . . . . 6272 1 298 . 1 1 30 30 GLN CG C 13 33.98 0.05 . 1 . . . . . . . . 6272 1 299 . 1 1 30 30 GLN CD C 13 180.37 0.05 . 1 . . . . . . . . 6272 1 300 . 1 1 30 30 GLN N N 15 116.29 0.05 . 1 . . . . . . . . 6272 1 301 . 1 1 30 30 GLN NE2 N 15 110.73 0.05 . 1 . . . . . . . . 6272 1 302 . 1 1 31 31 GLN H H 1 7.85 0.01 . 1 . . . . . . . . 6272 1 303 . 1 1 31 31 GLN HA H 1 4.37 0.01 . 1 . . . . . . . . 6272 1 304 . 1 1 31 31 GLN HB2 H 1 1.98 0.01 . 1 . . . . . . . . 6272 1 305 . 1 1 31 31 GLN HB3 H 1 1.95 0.01 . 1 . . . . . . . . 6272 1 306 . 1 1 31 31 GLN HG2 H 1 2.34 0.01 . 1 . . . . . . . . 6272 1 307 . 1 1 31 31 GLN HG3 H 1 2.05 0.01 . 1 . . . . . . . . 6272 1 308 . 1 1 31 31 GLN HE21 H 1 7.51 0.01 . 1 . . . . . . . . 6272 1 309 . 1 1 31 31 GLN HE22 H 1 6.88 0.01 . 1 . . . . . . . . 6272 1 310 . 1 1 31 31 GLN C C 13 175.97 0.05 . 1 . . . . . . . . 6272 1 311 . 1 1 31 31 GLN CA C 13 56.09 0.05 . 1 . . . . . . . . 6272 1 312 . 1 1 31 31 GLN CB C 13 29.68 0.05 . 1 . . . . . . . . 6272 1 313 . 1 1 31 31 GLN CG C 13 33.77 0.05 . 1 . . . . . . . . 6272 1 314 . 1 1 31 31 GLN CD C 13 183.48 0.05 . 1 . . . . . . . . 6272 1 315 . 1 1 31 31 GLN N N 15 115.81 0.05 . 1 . . . . . . . . 6272 1 316 . 1 1 31 31 GLN NE2 N 15 111.12 0.05 . 1 . . . . . . . . 6272 1 317 . 1 1 32 32 SER H H 1 8.22 0.01 . 1 . . . . . . . . 6272 1 318 . 1 1 32 32 SER HA H 1 4.36 0.01 . 1 . . . . . . . . 6272 1 319 . 1 1 32 32 SER HB2 H 1 3.62 0.01 . 1 . . . . . . . . 6272 1 320 . 1 1 32 32 SER HB3 H 1 3.47 0.01 . 1 . . . . . . . . 6272 1 321 . 1 1 32 32 SER C C 13 174.79 0.05 . 1 . . . . . . . . 6272 1 322 . 1 1 32 32 SER CA C 13 58.31 0.05 . 1 . . . . . . . . 6272 1 323 . 1 1 32 32 SER CB C 13 63.70 0.05 . 1 . . . . . . . . 6272 1 324 . 1 1 32 32 SER N N 15 114.85 0.05 . 1 . . . . . . . . 6272 1 325 . 1 1 33 33 GLY H H 1 8.16 0.01 . 1 . . . . . . . . 6272 1 326 . 1 1 33 33 GLY HA2 H 1 4.18 0.01 . 1 . . . . . . . . 6272 1 327 . 1 1 33 33 GLY HA3 H 1 4.18 0.01 . 1 . . . . . . . . 6272 1 328 . 1 1 33 33 GLY C C 13 174.45 0.05 . 1 . . . . . . . . 6272 1 329 . 1 1 33 33 GLY CA C 13 44.94 0.05 . 1 . . . . . . . . 6272 1 330 . 1 1 33 33 GLY N N 15 110.03 0.05 . 1 . . . . . . . . 6272 1 331 . 1 1 34 34 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 6272 1 332 . 1 1 34 34 GLU HA H 1 4.46 0.01 . 1 . . . . . . . . 6272 1 333 . 1 1 34 34 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 6272 1 334 . 1 1 34 34 GLU HB3 H 1 1.64 0.01 . 1 . . . . . . . . 6272 1 335 . 1 1 34 34 GLU HG2 H 1 3.09 0.01 . 1 . . . . . . . . 6272 1 336 . 1 1 34 34 GLU HG3 H 1 2.78 0.01 . 1 . . . . . . . . 6272 1 337 . 1 1 34 34 GLU C C 13 179.22 0.05 . 1 . . . . . . . . 6272 1 338 . 1 1 34 34 GLU CA C 13 55.97 0.05 . 1 . . . . . . . . 6272 1 339 . 1 1 34 34 GLU CB C 13 29.12 0.05 . 1 . . . . . . . . 6272 1 340 . 1 1 34 34 GLU CG C 13 36.26 0.05 . 1 . . . . . . . . 6272 1 341 . 1 1 34 34 GLU N N 15 120.63 0.05 . 1 . . . . . . . . 6272 1 342 . 1 1 35 35 TYR H H 1 7.39 0.01 . 1 . . . . . . . . 6272 1 343 . 1 1 35 35 TYR HA H 1 5.02 0.01 . 1 . . . . . . . . 6272 1 344 . 1 1 35 35 TYR HB2 H 1 3.42 0.01 . 1 . . . . . . . . 6272 1 345 . 1 1 35 35 TYR HB3 H 1 3.07 0.01 . 1 . . . . . . . . 6272 1 346 . 1 1 35 35 TYR HD1 H 1 7.22 0.01 . 1 . . . . . . . . 6272 1 347 . 1 1 35 35 TYR HD2 H 1 7.22 0.01 . 1 . . . . . . . . 6272 1 348 . 1 1 35 35 TYR HE1 H 1 6.87 0.01 . 1 . . . . . . . . 6272 1 349 . 1 1 35 35 TYR HE2 H 1 6.87 0.01 . 1 . . . . . . . . 6272 1 350 . 1 1 35 35 TYR C C 13 173.31 0.05 . 1 . . . . . . . . 6272 1 351 . 1 1 35 35 TYR CA C 13 56.54 0.05 . 1 . . . . . . . . 6272 1 352 . 1 1 35 35 TYR CB C 13 39.23 0.05 . 1 . . . . . . . . 6272 1 353 . 1 1 35 35 TYR CD1 C 13 133.15 0.05 . 1 . . . . . . . . 6272 1 354 . 1 1 35 35 TYR CD2 C 13 133.15 0.05 . 1 . . . . . . . . 6272 1 355 . 1 1 35 35 TYR CE1 C 13 119.42 0.05 . 1 . . . . . . . . 6272 1 356 . 1 1 35 35 TYR CE2 C 13 119.42 0.05 . 1 . . . . . . . . 6272 1 357 . 1 1 35 35 TYR N N 15 116.29 0.05 . 1 . . . . . . . . 6272 1 358 . 1 1 36 36 GLU H H 1 9.07 0.01 . 1 . . . . . . . . 6272 1 359 . 1 1 36 36 GLU HA H 1 4.67 0.01 . 1 . . . . . . . . 6272 1 360 . 1 1 36 36 GLU HB2 H 1 1.93 0.01 . 1 . . . . . . . . 6272 1 361 . 1 1 36 36 GLU HB3 H 1 1.74 0.01 . 1 . . . . . . . . 6272 1 362 . 1 1 36 36 GLU HG2 H 1 2.48 0.01 . 1 . . . . . . . . 6272 1 363 . 1 1 36 36 GLU HG3 H 1 2.10 0.01 . 1 . . . . . . . . 6272 1 364 . 1 1 36 36 GLU C C 13 175.00 0.05 . 1 . . . . . . . . 6272 1 365 . 1 1 36 36 GLU CA C 13 54.93 0.05 . 1 . . . . . . . . 6272 1 366 . 1 1 36 36 GLU CB C 13 33.38 0.05 . 1 . . . . . . . . 6272 1 367 . 1 1 36 36 GLU CG C 13 35.92 0.05 . 1 . . . . . . . . 6272 1 368 . 1 1 36 36 GLU N N 15 119.19 0.05 . 1 . . . . . . . . 6272 1 369 . 1 1 37 37 ILE H H 1 8.78 0.01 . 1 . . . . . . . . 6272 1 370 . 1 1 37 37 ILE HA H 1 4.80 0.01 . 1 . . . . . . . . 6272 1 371 . 1 1 37 37 ILE HB H 1 1.70 0.01 . 1 . . . . . . . . 6272 1 372 . 1 1 37 37 ILE HG12 H 1 1.46 0.01 . 1 . . . . . . . . 6272 1 373 . 1 1 37 37 ILE HG13 H 1 1.17 0.01 . 1 . . . . . . . . 6272 1 374 . 1 1 37 37 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 375 . 1 1 37 37 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 376 . 1 1 37 37 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 377 . 1 1 37 37 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 378 . 1 1 37 37 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 379 . 1 1 37 37 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 380 . 1 1 37 37 ILE C C 13 176.22 0.05 . 1 . . . . . . . . 6272 1 381 . 1 1 37 37 ILE CA C 13 59.88 0.05 . 1 . . . . . . . . 6272 1 382 . 1 1 37 37 ILE CB C 13 38.25 0.05 . 1 . . . . . . . . 6272 1 383 . 1 1 37 37 ILE CG2 C 13 17.92 0.05 . 1 . . . . . . . . 6272 1 384 . 1 1 37 37 ILE N N 15 124.01 0.05 . 1 . . . . . . . . 6272 1 385 . 1 1 38 38 HIS H H 1 8.62 0.01 . 1 . . . . . . . . 6272 1 386 . 1 1 38 38 HIS HA H 1 4.29 0.01 . 1 . . . . . . . . 6272 1 387 . 1 1 38 38 HIS HB2 H 1 2.86 0.01 . 1 . . . . . . . . 6272 1 388 . 1 1 38 38 HIS HB3 H 1 2.64 0.01 . 1 . . . . . . . . 6272 1 389 . 1 1 38 38 HIS HD2 H 1 7.16 0.01 . 1 . . . . . . . . 6272 1 390 . 1 1 38 38 HIS HE1 H 1 8.53 0.01 . 1 . . . . . . . . 6272 1 391 . 1 1 38 38 HIS C C 13 177.32 0.05 . 1 . . . . . . . . 6272 1 392 . 1 1 38 38 HIS CA C 13 57.49 0.05 . 1 . . . . . . . . 6272 1 393 . 1 1 38 38 HIS CB C 13 28.87 0.05 . 1 . . . . . . . . 6272 1 394 . 1 1 38 38 HIS CD2 C 13 120.37 0.05 . 1 . . . . . . . . 6272 1 395 . 1 1 38 38 HIS CE1 C 13 136.86 0.05 . 1 . . . . . . . . 6272 1 396 . 1 1 38 38 HIS N N 15 125.93 0.05 . 1 . . . . . . . . 6272 1 397 . 1 1 39 39 MET H H 1 7.85 0.01 . 1 . . . . . . . . 6272 1 398 . 1 1 39 39 MET HA H 1 4.35 0.01 . 1 . . . . . . . . 6272 1 399 . 1 1 39 39 MET HB2 H 1 1.86 0.01 . 1 . . . . . . . . 6272 1 400 . 1 1 39 39 MET HB3 H 1 1.86 0.01 . 1 . . . . . . . . 6272 1 401 . 1 1 39 39 MET HG2 H 1 2.25 0.01 . 1 . . . . . . . . 6272 1 402 . 1 1 39 39 MET HG3 H 1 2.25 0.01 . 1 . . . . . . . . 6272 1 403 . 1 1 39 39 MET C C 13 175.88 0.05 . 1 . . . . . . . . 6272 1 404 . 1 1 39 39 MET CA C 13 56.13 0.05 . 1 . . . . . . . . 6272 1 405 . 1 1 39 39 MET CB C 13 29.79 0.05 . 1 . . . . . . . . 6272 1 406 . 1 1 39 39 MET CG C 13 32.16 0.05 . 1 . . . . . . . . 6272 1 407 . 1 1 39 39 MET CE C 13 19.23 0.05 . 1 . . . . . . . . 6272 1 408 . 1 1 39 39 MET N N 15 116.78 0.05 . 1 . . . . . . . . 6272 1 409 . 1 1 40 40 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 6272 1 410 . 1 1 40 40 LYS HA H 1 4.10 0.01 . 1 . . . . . . . . 6272 1 411 . 1 1 40 40 LYS HB2 H 1 2.07 0.01 . 1 . . . . . . . . 6272 1 412 . 1 1 40 40 LYS HB3 H 1 2.07 0.01 . 1 . . . . . . . . 6272 1 413 . 1 1 40 40 LYS HG2 H 1 1.45 0.01 . 1 . . . . . . . . 6272 1 414 . 1 1 40 40 LYS HG3 H 1 1.45 0.01 . 1 . . . . . . . . 6272 1 415 . 1 1 40 40 LYS HD2 H 1 1.89 0.01 . 1 . . . . . . . . 6272 1 416 . 1 1 40 40 LYS HD3 H 1 1.89 0.01 . 1 . . . . . . . . 6272 1 417 . 1 1 40 40 LYS HE2 H 1 3.43 0.01 . 1 . . . . . . . . 6272 1 418 . 1 1 40 40 LYS HE3 H 1 3.43 0.01 . 1 . . . . . . . . 6272 1 419 . 1 1 40 40 LYS C C 13 177.58 0.05 . 1 . . . . . . . . 6272 1 420 . 1 1 40 40 LYS CA C 13 55.30 0.05 . 1 . . . . . . . . 6272 1 421 . 1 1 40 40 LYS CB C 13 31.08 0.05 . 1 . . . . . . . . 6272 1 422 . 1 1 40 40 LYS CG C 13 24.89 0.05 . 1 . . . . . . . . 6272 1 423 . 1 1 40 40 LYS CD C 13 26.97 0.05 . 1 . . . . . . . . 6272 1 424 . 1 1 40 40 LYS CE C 13 42.41 0.05 . 1 . . . . . . . . 6272 1 425 . 1 1 40 40 LYS N N 15 121.60 0.05 . 1 . . . . . . . . 6272 1 426 . 1 1 41 41 ARG H H 1 8.06 0.01 . 1 . . . . . . . . 6272 1 427 . 1 1 41 41 ARG HA H 1 4.64 0.01 . 1 . . . . . . . . 6272 1 428 . 1 1 41 41 ARG HB2 H 1 1.93 0.01 . 1 . . . . . . . . 6272 1 429 . 1 1 41 41 ARG HB3 H 1 1.72 0.01 . 1 . . . . . . . . 6272 1 430 . 1 1 41 41 ARG HG2 H 1 1.46 0.01 . 1 . . . . . . . . 6272 1 431 . 1 1 41 41 ARG HG3 H 1 1.46 0.01 . 1 . . . . . . . . 6272 1 432 . 1 1 41 41 ARG HD2 H 1 3.25 0.01 . 2 . . . . . . . . 6272 1 433 . 1 1 41 41 ARG HD3 H 1 3.06 0.01 . 2 . . . . . . . . 6272 1 434 . 1 1 41 41 ARG C C 13 176.06 0.05 . 1 . . . . . . . . 6272 1 435 . 1 1 41 41 ARG CA C 13 55.10 0.05 . 1 . . . . . . . . 6272 1 436 . 1 1 41 41 ARG CB C 13 33.06 0.05 . 1 . . . . . . . . 6272 1 437 . 1 1 41 41 ARG CG C 13 27.27 0.05 . 1 . . . . . . . . 6272 1 438 . 1 1 41 41 ARG CD C 13 44.26 0.05 . 1 . . . . . . . . 6272 1 439 . 1 1 41 41 ARG N N 15 119.67 0.05 . 1 . . . . . . . . 6272 1 440 . 1 1 42 42 ALA H H 1 8.95 0.01 . 1 . . . . . . . . 6272 1 441 . 1 1 42 42 ALA HA H 1 4.89 0.01 . 1 . . . . . . . . 6272 1 442 . 1 1 42 42 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 6272 1 443 . 1 1 42 42 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 6272 1 444 . 1 1 42 42 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 6272 1 445 . 1 1 42 42 ALA C C 13 177.31 0.05 . 1 . . . . . . . . 6272 1 446 . 1 1 42 42 ALA CA C 13 50.57 0.05 . 1 . . . . . . . . 6272 1 447 . 1 1 42 42 ALA CB C 13 23.04 0.05 . 1 . . . . . . . . 6272 1 448 . 1 1 42 42 ALA N N 15 124.49 0.05 . 1 . . . . . . . . 6272 1 449 . 1 1 43 43 GLY H H 1 8.54 0.01 . 1 . . . . . . . . 6272 1 450 . 1 1 43 43 GLY HA2 H 1 4.44 0.01 . 2 . . . . . . . . 6272 1 451 . 1 1 43 43 GLY HA3 H 1 4.07 0.01 . 2 . . . . . . . . 6272 1 452 . 1 1 43 43 GLY C C 13 174.20 0.05 . 1 . . . . . . . . 6272 1 453 . 1 1 43 43 GLY CA C 13 44.83 0.05 . 1 . . . . . . . . 6272 1 454 . 1 1 43 43 GLY N N 15 105.69 0.05 . 1 . . . . . . . . 6272 1 455 . 1 1 44 44 PHE H H 1 8.27 0.01 . 1 . . . . . . . . 6272 1 456 . 1 1 44 44 PHE HA H 1 4.72 0.01 . 1 . . . . . . . . 6272 1 457 . 1 1 44 44 PHE HB2 H 1 2.79 0.01 . 1 . . . . . . . . 6272 1 458 . 1 1 44 44 PHE HB3 H 1 2.63 0.01 . 1 . . . . . . . . 6272 1 459 . 1 1 44 44 PHE HD1 H 1 6.97 0.01 . 1 . . . . . . . . 6272 1 460 . 1 1 44 44 PHE HD2 H 1 6.97 0.01 . 1 . . . . . . . . 6272 1 461 . 1 1 44 44 PHE HE1 H 1 7.34 0.01 . 1 . . . . . . . . 6272 1 462 . 1 1 44 44 PHE HE2 H 1 7.34 0.01 . 1 . . . . . . . . 6272 1 463 . 1 1 44 44 PHE HZ H 1 6.98 0.01 . 1 . . . . . . . . 6272 1 464 . 1 1 44 44 PHE C C 13 175.95 0.05 . 1 . . . . . . . . 6272 1 465 . 1 1 44 44 PHE CA C 13 63.71 0.05 . 1 . . . . . . . . 6272 1 466 . 1 1 44 44 PHE CB C 13 39.71 0.05 . 1 . . . . . . . . 6272 1 467 . 1 1 44 44 PHE CD1 C 13 132.46 0.05 . 1 . . . . . . . . 6272 1 468 . 1 1 44 44 PHE CD2 C 13 132.46 0.05 . 1 . . . . . . . . 6272 1 469 . 1 1 44 44 PHE CE1 C 13 132.30 0.05 . 1 . . . . . . . . 6272 1 470 . 1 1 44 44 PHE CE2 C 13 132.30 0.05 . 1 . . . . . . . . 6272 1 471 . 1 1 44 44 PHE CZ C 13 130.85 0.05 . 1 . . . . . . . . 6272 1 472 . 1 1 44 44 PHE N N 15 120.15 0.05 . 1 . . . . . . . . 6272 1 473 . 1 1 45 45 ARG H H 1 8.98 0.01 . 1 . . . . . . . . 6272 1 474 . 1 1 45 45 ARG HA H 1 4.07 0.01 . 1 . . . . . . . . 6272 1 475 . 1 1 45 45 ARG HB2 H 1 2.73 0.01 . 1 . . . . . . . . 6272 1 476 . 1 1 45 45 ARG HB3 H 1 2.73 0.01 . 1 . . . . . . . . 6272 1 477 . 1 1 45 45 ARG HG2 H 1 1.93 0.01 . 1 . . . . . . . . 6272 1 478 . 1 1 45 45 ARG HG3 H 1 1.31 0.01 . 1 . . . . . . . . 6272 1 479 . 1 1 45 45 ARG HD2 H 1 3.90 0.01 . 1 . . . . . . . . 6272 1 480 . 1 1 45 45 ARG HD3 H 1 3.36 0.01 . 1 . . . . . . . . 6272 1 481 . 1 1 45 45 ARG C C 13 179.08 0.05 . 1 . . . . . . . . 6272 1 482 . 1 1 45 45 ARG CA C 13 59.37 0.05 . 1 . . . . . . . . 6272 1 483 . 1 1 45 45 ARG CB C 13 29.03 0.05 . 1 . . . . . . . . 6272 1 484 . 1 1 45 45 ARG CG C 13 27.05 0.05 . 1 . . . . . . . . 6272 1 485 . 1 1 45 45 ARG CD C 13 43.53 0.05 . 1 . . . . . . . . 6272 1 486 . 1 1 45 45 ARG N N 15 116.78 0.05 . 1 . . . . . . . . 6272 1 487 . 1 1 46 46 GLU H H 1 8.42 0.01 . 1 . . . . . . . . 6272 1 488 . 1 1 46 46 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 6272 1 489 . 1 1 46 46 GLU HB2 H 1 2.35 0.01 . 1 . . . . . . . . 6272 1 490 . 1 1 46 46 GLU HB3 H 1 2.35 0.01 . 1 . . . . . . . . 6272 1 491 . 1 1 46 46 GLU HG2 H 1 2.53 0.01 . 1 . . . . . . . . 6272 1 492 . 1 1 46 46 GLU HG3 H 1 2.53 0.01 . 1 . . . . . . . . 6272 1 493 . 1 1 46 46 GLU C C 13 179.55 0.05 . 1 . . . . . . . . 6272 1 494 . 1 1 46 46 GLU CA C 13 59.85 0.05 . 1 . . . . . . . . 6272 1 495 . 1 1 46 46 GLU CB C 13 28.81 0.05 . 1 . . . . . . . . 6272 1 496 . 1 1 46 46 GLU CG C 13 37.18 0.05 . 1 . . . . . . . . 6272 1 497 . 1 1 46 46 GLU N N 15 119.67 0.05 . 1 . . . . . . . . 6272 1 498 . 1 1 47 47 CYS H H 1 7.43 0.01 . 1 . . . . . . . . 6272 1 499 . 1 1 47 47 CYS HA H 1 4.16 0.01 . 1 . . . . . . . . 6272 1 500 . 1 1 47 47 CYS HB2 H 1 2.80 0.01 . 1 . . . . . . . . 6272 1 501 . 1 1 47 47 CYS HB3 H 1 2.80 0.01 . 1 . . . . . . . . 6272 1 502 . 1 1 47 47 CYS C C 13 176.13 0.05 . 1 . . . . . . . . 6272 1 503 . 1 1 47 47 CYS CA C 13 62.98 0.05 . 1 . . . . . . . . 6272 1 504 . 1 1 47 47 CYS CB C 13 27.30 0.05 . 1 . . . . . . . . 6272 1 505 . 1 1 47 47 CYS N N 15 119.67 0.05 . 1 . . . . . . . . 6272 1 506 . 1 1 48 48 ALA H H 1 8.54 0.01 . 1 . . . . . . . . 6272 1 507 . 1 1 48 48 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 6272 1 508 . 1 1 48 48 ALA HB1 H 1 1.26 0.01 . 1 . . . . . . . . 6272 1 509 . 1 1 48 48 ALA HB2 H 1 1.26 0.01 . 1 . . . . . . . . 6272 1 510 . 1 1 48 48 ALA HB3 H 1 1.26 0.01 . 1 . . . . . . . . 6272 1 511 . 1 1 48 48 ALA C C 13 178.64 0.05 . 1 . . . . . . . . 6272 1 512 . 1 1 48 48 ALA CA C 13 55.03 0.05 . 1 . . . . . . . . 6272 1 513 . 1 1 48 48 ALA CB C 13 17.89 0.05 . 1 . . . . . . . . 6272 1 514 . 1 1 48 48 ALA N N 15 117.26 0.05 . 1 . . . . . . . . 6272 1 515 . 1 1 49 49 ALA H H 1 8.00 0.01 . 1 . . . . . . . . 6272 1 516 . 1 1 49 49 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 6272 1 517 . 1 1 49 49 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 6272 1 518 . 1 1 49 49 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 6272 1 519 . 1 1 49 49 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 6272 1 520 . 1 1 49 49 ALA C C 13 179.08 0.05 . 1 . . . . . . . . 6272 1 521 . 1 1 49 49 ALA CA C 13 54.62 0.05 . 1 . . . . . . . . 6272 1 522 . 1 1 49 49 ALA CB C 13 17.91 0.05 . 1 . . . . . . . . 6272 1 523 . 1 1 49 49 ALA N N 15 117.74 0.05 . 1 . . . . . . . . 6272 1 524 . 1 1 50 50 MET H H 1 7.37 0.01 . 1 . . . . . . . . 6272 1 525 . 1 1 50 50 MET HA H 1 4.13 0.01 . 1 . . . . . . . . 6272 1 526 . 1 1 50 50 MET HB2 H 1 2.02 0.01 . 1 . . . . . . . . 6272 1 527 . 1 1 50 50 MET HB3 H 1 1.97 0.01 . 1 . . . . . . . . 6272 1 528 . 1 1 50 50 MET HG2 H 1 2.45 0.01 . 1 . . . . . . . . 6272 1 529 . 1 1 50 50 MET HG3 H 1 2.19 0.01 . 1 . . . . . . . . 6272 1 530 . 1 1 50 50 MET C C 13 177.80 0.05 . 1 . . . . . . . . 6272 1 531 . 1 1 50 50 MET CA C 13 59.04 0.05 . 1 . . . . . . . . 6272 1 532 . 1 1 50 50 MET CB C 13 32.29 0.05 . 1 . . . . . . . . 6272 1 533 . 1 1 50 50 MET CG C 13 36.31 0.05 . 1 . . . . . . . . 6272 1 534 . 1 1 50 50 MET N N 15 117.74 0.05 . 1 . . . . . . . . 6272 1 535 . 1 1 51 51 ILE H H 1 7.78 0.01 . 1 . . . . . . . . 6272 1 536 . 1 1 51 51 ILE HA H 1 4.04 0.01 . 1 . . . . . . . . 6272 1 537 . 1 1 51 51 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 6272 1 538 . 1 1 51 51 ILE HG12 H 1 1.89 0.01 . 1 . . . . . . . . 6272 1 539 . 1 1 51 51 ILE HG13 H 1 1.81 0.01 . 1 . . . . . . . . 6272 1 540 . 1 1 51 51 ILE HG21 H 1 1.01 0.01 . 1 . . . . . . . . 6272 1 541 . 1 1 51 51 ILE HG22 H 1 1.01 0.01 . 1 . . . . . . . . 6272 1 542 . 1 1 51 51 ILE HG23 H 1 1.01 0.01 . 1 . . . . . . . . 6272 1 543 . 1 1 51 51 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 544 . 1 1 51 51 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 545 . 1 1 51 51 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 546 . 1 1 51 51 ILE C C 13 177.23 0.05 . 1 . . . . . . . . 6272 1 547 . 1 1 51 51 ILE CA C 13 66.18 0.05 . 1 . . . . . . . . 6272 1 548 . 1 1 51 51 ILE CB C 13 37.84 0.05 . 1 . . . . . . . . 6272 1 549 . 1 1 51 51 ILE CG2 C 13 16.86 0.05 . 1 . . . . . . . . 6272 1 550 . 1 1 51 51 ILE N N 15 120.15 0.05 . 1 . . . . . . . . 6272 1 551 . 1 1 52 52 GLU H H 1 7.98 0.01 . 1 . . . . . . . . 6272 1 552 . 1 1 52 52 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 6272 1 553 . 1 1 52 52 GLU HB2 H 1 2.29 0.01 . 1 . . . . . . . . 6272 1 554 . 1 1 52 52 GLU HB3 H 1 2.29 0.01 . 1 . . . . . . . . 6272 1 555 . 1 1 52 52 GLU HG2 H 1 2.52 0.01 . 1 . . . . . . . . 6272 1 556 . 1 1 52 52 GLU HG3 H 1 2.53 0.01 . 1 . . . . . . . . 6272 1 557 . 1 1 52 52 GLU C C 13 178.57 0.05 . 1 . . . . . . . . 6272 1 558 . 1 1 52 52 GLU CA C 13 59.28 0.05 . 1 . . . . . . . . 6272 1 559 . 1 1 52 52 GLU CB C 13 28.69 0.05 . 1 . . . . . . . . 6272 1 560 . 1 1 52 52 GLU CG C 13 35.98 0.05 . 1 . . . . . . . . 6272 1 561 . 1 1 52 52 GLU N N 15 114.37 0.05 . 1 . . . . . . . . 6272 1 562 . 1 1 53 53 LYS H H 1 7.47 0.01 . 1 . . . . . . . . 6272 1 563 . 1 1 53 53 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 6272 1 564 . 1 1 53 53 LYS HB2 H 1 1.94 0.01 . 1 . . . . . . . . 6272 1 565 . 1 1 53 53 LYS HB3 H 1 1.94 0.01 . 1 . . . . . . . . 6272 1 566 . 1 1 53 53 LYS HG2 H 1 1.51 0.01 . 1 . . . . . . . . 6272 1 567 . 1 1 53 53 LYS HG3 H 1 1.29 0.01 . 1 . . . . . . . . 6272 1 568 . 1 1 53 53 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 6272 1 569 . 1 1 53 53 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 6272 1 570 . 1 1 53 53 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 6272 1 571 . 1 1 53 53 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 6272 1 572 . 1 1 53 53 LYS C C 13 178.61 0.05 . 1 . . . . . . . . 6272 1 573 . 1 1 53 53 LYS CA C 13 57.66 0.05 . 1 . . . . . . . . 6272 1 574 . 1 1 53 53 LYS CB C 13 33.65 0.05 . 1 . . . . . . . . 6272 1 575 . 1 1 53 53 LYS CG C 13 24.69 0.05 . 1 . . . . . . . . 6272 1 576 . 1 1 53 53 LYS CD C 13 29.03 0.05 . 1 . . . . . . . . 6272 1 577 . 1 1 53 53 LYS N N 15 116.29 0.05 . 1 . . . . . . . . 6272 1 578 . 1 1 54 54 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 6272 1 579 . 1 1 54 54 LYS HA H 1 4.23 0.01 . 1 . . . . . . . . 6272 1 580 . 1 1 54 54 LYS HB2 H 1 2.79 0.01 . 1 . . . . . . . . 6272 1 581 . 1 1 54 54 LYS HB3 H 1 2.54 0.01 . 1 . . . . . . . . 6272 1 582 . 1 1 54 54 LYS HG2 H 1 1.59 0.01 . 2 . . . . . . . . 6272 1 583 . 1 1 54 54 LYS HG3 H 1 1.34 0.01 . 2 . . . . . . . . 6272 1 584 . 1 1 54 54 LYS HD2 H 1 2.31 0.01 . 1 . . . . . . . . 6272 1 585 . 1 1 54 54 LYS HD3 H 1 2.31 0.01 . 1 . . . . . . . . 6272 1 586 . 1 1 54 54 LYS HE2 H 1 3.52 0.01 . 1 . . . . . . . . 6272 1 587 . 1 1 54 54 LYS HE3 H 1 3.52 0.01 . 1 . . . . . . . . 6272 1 588 . 1 1 54 54 LYS C C 13 177.52 0.05 . 1 . . . . . . . . 6272 1 589 . 1 1 54 54 LYS CA C 13 57.19 0.05 . 1 . . . . . . . . 6272 1 590 . 1 1 54 54 LYS CB C 13 34.65 0.05 . 1 . . . . . . . . 6272 1 591 . 1 1 54 54 LYS CG C 13 25.49 0.05 . 1 . . . . . . . . 6272 1 592 . 1 1 54 54 LYS CD C 13 28.76 0.05 . 1 . . . . . . . . 6272 1 593 . 1 1 54 54 LYS CE C 13 41.59 0.05 . 1 . . . . . . . . 6272 1 594 . 1 1 54 54 LYS N N 15 116.78 0.05 . 1 . . . . . . . . 6272 1 595 . 1 1 55 55 ALA H H 1 8.24 0.01 . 1 . . . . . . . . 6272 1 596 . 1 1 55 55 ALA HA H 1 4.36 0.01 . 1 . . . . . . . . 6272 1 597 . 1 1 55 55 ALA HB1 H 1 1.17 0.01 . 1 . . . . . . . . 6272 1 598 . 1 1 55 55 ALA HB2 H 1 1.17 0.01 . 1 . . . . . . . . 6272 1 599 . 1 1 55 55 ALA HB3 H 1 1.17 0.01 . 1 . . . . . . . . 6272 1 600 . 1 1 55 55 ALA C C 13 178.20 0.05 . 1 . . . . . . . . 6272 1 601 . 1 1 55 55 ALA CA C 13 52.23 0.05 . 1 . . . . . . . . 6272 1 602 . 1 1 55 55 ALA CB C 13 20.94 0.05 . 1 . . . . . . . . 6272 1 603 . 1 1 55 55 ALA N N 15 120.63 0.05 . 1 . . . . . . . . 6272 1 604 . 1 1 56 56 ARG H H 1 9.00 0.01 . 1 . . . . . . . . 6272 1 605 . 1 1 56 56 ARG HA H 1 4.08 0.01 . 1 . . . . . . . . 6272 1 606 . 1 1 56 56 ARG HB2 H 1 2.05 0.01 . 1 . . . . . . . . 6272 1 607 . 1 1 56 56 ARG HB3 H 1 2.05 0.01 . 1 . . . . . . . . 6272 1 608 . 1 1 56 56 ARG HG2 H 1 1.81 0.01 . 1 . . . . . . . . 6272 1 609 . 1 1 56 56 ARG HG3 H 1 1.81 0.01 . 1 . . . . . . . . 6272 1 610 . 1 1 56 56 ARG HD2 H 1 3.32 0.01 . 1 . . . . . . . . 6272 1 611 . 1 1 56 56 ARG HD3 H 1 3.32 0.01 . 1 . . . . . . . . 6272 1 612 . 1 1 56 56 ARG C C 13 175.72 0.05 . 1 . . . . . . . . 6272 1 613 . 1 1 56 56 ARG CA C 13 58.73 0.05 . 1 . . . . . . . . 6272 1 614 . 1 1 56 56 ARG CB C 13 29.49 0.05 . 1 . . . . . . . . 6272 1 615 . 1 1 56 56 ARG CG C 13 27.20 0.05 . 1 . . . . . . . . 6272 1 616 . 1 1 56 56 ARG CD C 13 43.11 0.05 . 1 . . . . . . . . 6272 1 617 . 1 1 56 56 ARG N N 15 121.60 0.05 . 1 . . . . . . . . 6272 1 618 . 1 1 57 57 ARG H H 1 7.57 0.01 . 1 . . . . . . . . 6272 1 619 . 1 1 57 57 ARG HA H 1 4.60 0.01 . 1 . . . . . . . . 6272 1 620 . 1 1 57 57 ARG HB2 H 1 1.97 0.01 . 1 . . . . . . . . 6272 1 621 . 1 1 57 57 ARG HB3 H 1 1.77 0.01 . 1 . . . . . . . . 6272 1 622 . 1 1 57 57 ARG HG2 H 1 1.45 0.01 . 1 . . . . . . . . 6272 1 623 . 1 1 57 57 ARG HG3 H 1 1.39 0.01 . 1 . . . . . . . . 6272 1 624 . 1 1 57 57 ARG HD2 H 1 3.71 0.01 . 1 . . . . . . . . 6272 1 625 . 1 1 57 57 ARG HD3 H 1 3.71 0.01 . 1 . . . . . . . . 6272 1 626 . 1 1 57 57 ARG C C 13 174.95 0.05 . 1 . . . . . . . . 6272 1 627 . 1 1 57 57 ARG CA C 13 54.98 0.05 . 1 . . . . . . . . 6272 1 628 . 1 1 57 57 ARG CB C 13 33.11 0.05 . 1 . . . . . . . . 6272 1 629 . 1 1 57 57 ARG CG C 13 27.23 0.05 . 1 . . . . . . . . 6272 1 630 . 1 1 57 57 ARG CD C 13 44.17 0.05 . 1 . . . . . . . . 6272 1 631 . 1 1 57 57 ARG N N 15 116.78 0.05 . 1 . . . . . . . . 6272 1 632 . 1 1 58 58 VAL H H 1 8.83 0.01 . 1 . . . . . . . . 6272 1 633 . 1 1 58 58 VAL HA H 1 4.86 0.01 . 1 . . . . . . . . 6272 1 634 . 1 1 58 58 VAL HB H 1 1.80 0.01 . 1 . . . . . . . . 6272 1 635 . 1 1 58 58 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 6272 1 636 . 1 1 58 58 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 6272 1 637 . 1 1 58 58 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 6272 1 638 . 1 1 58 58 VAL HG21 H 1 0.62 0.01 . 1 . . . . . . . . 6272 1 639 . 1 1 58 58 VAL HG22 H 1 0.62 0.01 . 1 . . . . . . . . 6272 1 640 . 1 1 58 58 VAL HG23 H 1 0.62 0.01 . 1 . . . . . . . . 6272 1 641 . 1 1 58 58 VAL C C 13 175.93 0.05 . 1 . . . . . . . . 6272 1 642 . 1 1 58 58 VAL CA C 13 61.06 0.05 . 1 . . . . . . . . 6272 1 643 . 1 1 58 58 VAL CB C 13 34.33 0.05 . 1 . . . . . . . . 6272 1 644 . 1 1 58 58 VAL CG1 C 13 23.32 0.05 . 1 . . . . . . . . 6272 1 645 . 1 1 58 58 VAL CG2 C 13 21.69 0.05 . 1 . . . . . . . . 6272 1 646 . 1 1 58 58 VAL N N 15 125.45 0.05 . 1 . . . . . . . . 6272 1 647 . 1 1 59 59 VAL H H 1 8.66 0.01 . 1 . . . . . . . . 6272 1 648 . 1 1 59 59 VAL HA H 1 4.66 0.01 . 1 . . . . . . . . 6272 1 649 . 1 1 59 59 VAL HB H 1 2.26 0.01 . 1 . . . . . . . . 6272 1 650 . 1 1 59 59 VAL HG11 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 651 . 1 1 59 59 VAL HG12 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 652 . 1 1 59 59 VAL HG13 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 653 . 1 1 59 59 VAL HG21 H 1 0.62 0.01 . 1 . . . . . . . . 6272 1 654 . 1 1 59 59 VAL HG22 H 1 0.62 0.01 . 1 . . . . . . . . 6272 1 655 . 1 1 59 59 VAL HG23 H 1 0.62 0.01 . 1 . . . . . . . . 6272 1 656 . 1 1 59 59 VAL C C 13 173.66 0.05 . 1 . . . . . . . . 6272 1 657 . 1 1 59 59 VAL CA C 13 58.96 0.05 . 1 . . . . . . . . 6272 1 658 . 1 1 59 59 VAL CB C 13 33.91 0.05 . 1 . . . . . . . . 6272 1 659 . 1 1 59 59 VAL CG1 C 13 21.32 0.05 . 1 . . . . . . . . 6272 1 660 . 1 1 59 59 VAL CG2 C 13 18.24 0.05 . 1 . . . . . . . . 6272 1 661 . 1 1 59 59 VAL N N 15 120.63 0.05 . 1 . . . . . . . . 6272 1 662 . 1 1 60 60 HIS H H 1 8.87 0.01 . 1 . . . . . . . . 6272 1 663 . 1 1 60 60 HIS HA H 1 5.87 0.01 . 1 . . . . . . . . 6272 1 664 . 1 1 60 60 HIS HB2 H 1 3.24 0.01 . 1 . . . . . . . . 6272 1 665 . 1 1 60 60 HIS HB3 H 1 3.02 0.01 . 1 . . . . . . . . 6272 1 666 . 1 1 60 60 HIS HD2 H 1 7.22 0.01 . 1 . . . . . . . . 6272 1 667 . 1 1 60 60 HIS HE1 H 1 8.36 0.01 . 1 . . . . . . . . 6272 1 668 . 1 1 60 60 HIS C C 13 174.20 0.05 . 1 . . . . . . . . 6272 1 669 . 1 1 60 60 HIS CA C 13 54.91 0.05 . 1 . . . . . . . . 6272 1 670 . 1 1 60 60 HIS CB C 13 31.71 0.05 . 1 . . . . . . . . 6272 1 671 . 1 1 60 60 HIS CD2 C 13 119.61 0.05 . 1 . . . . . . . . 6272 1 672 . 1 1 60 60 HIS CE1 C 13 137.37 0.05 . 1 . . . . . . . . 6272 1 673 . 1 1 60 60 HIS N N 15 117.26 0.05 . 1 . . . . . . . . 6272 1 674 . 1 1 61 61 ILE H H 1 8.55 0.01 . 1 . . . . . . . . 6272 1 675 . 1 1 61 61 ILE HA H 1 4.98 0.01 . 1 . . . . . . . . 6272 1 676 . 1 1 61 61 ILE HB H 1 2.10 0.01 . 1 . . . . . . . . 6272 1 677 . 1 1 61 61 ILE HG12 H 1 1.34 0.01 . 1 . . . . . . . . 6272 1 678 . 1 1 61 61 ILE HG13 H 1 1.34 0.01 . 1 . . . . . . . . 6272 1 679 . 1 1 61 61 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 680 . 1 1 61 61 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 681 . 1 1 61 61 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 682 . 1 1 61 61 ILE HD11 H 1 0.80 0.01 . 1 . . . . . . . . 6272 1 683 . 1 1 61 61 ILE HD12 H 1 0.80 0.01 . 1 . . . . . . . . 6272 1 684 . 1 1 61 61 ILE HD13 H 1 0.80 0.01 . 1 . . . . . . . . 6272 1 685 . 1 1 61 61 ILE C C 13 175.40 0.05 . 1 . . . . . . . . 6272 1 686 . 1 1 61 61 ILE CA C 13 58.71 0.05 . 1 . . . . . . . . 6272 1 687 . 1 1 61 61 ILE CB C 13 41.76 0.05 . 1 . . . . . . . . 6272 1 688 . 1 1 61 61 ILE CG2 C 13 17.40 0.05 . 1 . . . . . . . . 6272 1 689 . 1 1 61 61 ILE N N 15 113.88 0.05 . 1 . . . . . . . . 6272 1 690 . 1 1 62 62 LYS H H 1 9.03 0.01 . 1 . . . . . . . . 6272 1 691 . 1 1 62 62 LYS HA H 1 4.56 0.01 . 1 . . . . . . . . 6272 1 692 . 1 1 62 62 LYS HB2 H 1 2.02 0.01 . 1 . . . . . . . . 6272 1 693 . 1 1 62 62 LYS HB3 H 1 2.02 0.01 . 1 . . . . . . . . 6272 1 694 . 1 1 62 62 LYS HG2 H 1 1.57 0.01 . 1 . . . . . . . . 6272 1 695 . 1 1 62 62 LYS HG3 H 1 1.57 0.01 . 1 . . . . . . . . 6272 1 696 . 1 1 62 62 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 6272 1 697 . 1 1 62 62 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 6272 1 698 . 1 1 62 62 LYS HE2 H 1 2.32 0.01 . 1 . . . . . . . . 6272 1 699 . 1 1 62 62 LYS HE3 H 1 2.32 0.01 . 1 . . . . . . . . 6272 1 700 . 1 1 62 62 LYS CA C 13 54.50 0.05 . 1 . . . . . . . . 6272 1 701 . 1 1 62 62 LYS CB C 13 32.07 0.05 . 1 . . . . . . . . 6272 1 702 . 1 1 62 62 LYS N N 15 123.52 0.05 . 1 . . . . . . . . 6272 1 703 . 1 1 63 63 PRO HA H 1 4.22 0.01 . 1 . . . . . . . . 6272 1 704 . 1 1 63 63 PRO HB2 H 1 2.26 0.01 . 1 . . . . . . . . 6272 1 705 . 1 1 63 63 PRO HB3 H 1 2.04 0.01 . 1 . . . . . . . . 6272 1 706 . 1 1 63 63 PRO HG2 H 1 1.76 0.01 . 1 . . . . . . . . 6272 1 707 . 1 1 63 63 PRO HG3 H 1 1.58 0.01 . 1 . . . . . . . . 6272 1 708 . 1 1 63 63 PRO HD2 H 1 3.22 0.01 . 1 . . . . . . . . 6272 1 709 . 1 1 63 63 PRO HD3 H 1 3.11 0.01 . 1 . . . . . . . . 6272 1 710 . 1 1 63 63 PRO C C 13 178.01 0.05 . 1 . . . . . . . . 6272 1 711 . 1 1 63 63 PRO CA C 13 63.62 0.05 . 1 . . . . . . . . 6272 1 712 . 1 1 63 63 PRO CB C 13 31.42 0.05 . 1 . . . . . . . . 6272 1 713 . 1 1 64 64 GLY H H 1 9.15 0.01 . 1 . . . . . . . . 6272 1 714 . 1 1 64 64 GLY HA2 H 1 4.32 0.01 . 1 . . . . . . . . 6272 1 715 . 1 1 64 64 GLY HA3 H 1 4.32 0.01 . 1 . . . . . . . . 6272 1 716 . 1 1 64 64 GLY C C 13 173.74 0.05 . 1 . . . . . . . . 6272 1 717 . 1 1 64 64 GLY CA C 13 45.00 0.05 . 1 . . . . . . . . 6272 1 718 . 1 1 64 64 GLY N N 15 112.92 0.05 . 1 . . . . . . . . 6272 1 719 . 1 1 65 65 GLU H H 1 7.81 0.01 . 1 . . . . . . . . 6272 1 720 . 1 1 65 65 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 6272 1 721 . 1 1 65 65 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 6272 1 722 . 1 1 65 65 GLU HB3 H 1 1.99 0.01 . 1 . . . . . . . . 6272 1 723 . 1 1 65 65 GLU HG2 H 1 2.35 0.01 . 1 . . . . . . . . 6272 1 724 . 1 1 65 65 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 6272 1 725 . 1 1 65 65 GLU C C 13 175.12 0.05 . 1 . . . . . . . . 6272 1 726 . 1 1 65 65 GLU CA C 13 56.48 0.05 . 1 . . . . . . . . 6272 1 727 . 1 1 65 65 GLU CB C 13 31.06 0.05 . 1 . . . . . . . . 6272 1 728 . 1 1 65 65 GLU CG C 13 32.70 0.05 . 1 . . . . . . . . 6272 1 729 . 1 1 65 65 GLU N N 15 121.60 0.05 . 1 . . . . . . . . 6272 1 730 . 1 1 66 66 LYS H H 1 8.38 0.01 . 1 . . . . . . . . 6272 1 731 . 1 1 66 66 LYS HA H 1 4.91 0.01 . 1 . . . . . . . . 6272 1 732 . 1 1 66 66 LYS HB2 H 1 1.67 0.01 . 1 . . . . . . . . 6272 1 733 . 1 1 66 66 LYS HB3 H 1 1.67 0.01 . 1 . . . . . . . . 6272 1 734 . 1 1 66 66 LYS HG2 H 1 1.12 0.01 . 1 . . . . . . . . 6272 1 735 . 1 1 66 66 LYS HG3 H 1 1.12 0.01 . 1 . . . . . . . . 6272 1 736 . 1 1 66 66 LYS HD2 H 1 1.52 0.01 . 2 . . . . . . . . 6272 1 737 . 1 1 66 66 LYS HD3 H 1 1.37 0.01 . 2 . . . . . . . . 6272 1 738 . 1 1 66 66 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 6272 1 739 . 1 1 66 66 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 6272 1 740 . 1 1 66 66 LYS C C 13 176.27 0.05 . 1 . . . . . . . . 6272 1 741 . 1 1 66 66 LYS CA C 13 55.64 0.05 . 1 . . . . . . . . 6272 1 742 . 1 1 66 66 LYS CB C 13 33.66 0.05 . 1 . . . . . . . . 6272 1 743 . 1 1 66 66 LYS CG C 13 25.54 0.05 . 1 . . . . . . . . 6272 1 744 . 1 1 66 66 LYS CD C 13 29.56 0.05 . 1 . . . . . . . . 6272 1 745 . 1 1 66 66 LYS CE C 13 43.63 0.05 . 1 . . . . . . . . 6272 1 746 . 1 1 66 66 LYS N N 15 123.04 0.05 . 1 . . . . . . . . 6272 1 747 . 1 1 67 67 ILE H H 1 8.81 0.01 . 1 . . . . . . . . 6272 1 748 . 1 1 67 67 ILE HA H 1 4.37 0.01 . 1 . . . . . . . . 6272 1 749 . 1 1 67 67 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 6272 1 750 . 1 1 67 67 ILE HG12 H 1 1.72 0.01 . 1 . . . . . . . . 6272 1 751 . 1 1 67 67 ILE HG13 H 1 1.72 0.01 . 1 . . . . . . . . 6272 1 752 . 1 1 67 67 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 6272 1 753 . 1 1 67 67 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 6272 1 754 . 1 1 67 67 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 6272 1 755 . 1 1 67 67 ILE HD11 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 756 . 1 1 67 67 ILE HD12 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 757 . 1 1 67 67 ILE HD13 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 758 . 1 1 67 67 ILE C C 13 174.75 0.05 . 1 . . . . . . . . 6272 1 759 . 1 1 67 67 ILE CA C 13 58.30 0.05 . 1 . . . . . . . . 6272 1 760 . 1 1 67 67 ILE CB C 13 38.93 0.05 . 1 . . . . . . . . 6272 1 761 . 1 1 67 67 ILE CG2 C 13 16.99 0.05 . 1 . . . . . . . . 6272 1 762 . 1 1 67 67 ILE N N 15 124.49 0.05 . 1 . . . . . . . . 6272 1 763 . 1 1 68 68 LEU H H 1 9.46 0.01 . 1 . . . . . . . . 6272 1 764 . 1 1 68 68 LEU HA H 1 3.89 0.01 . 1 . . . . . . . . 6272 1 765 . 1 1 68 68 LEU HB2 H 1 1.99 0.01 . 1 . . . . . . . . 6272 1 766 . 1 1 68 68 LEU HB3 H 1 1.99 0.01 . 1 . . . . . . . . 6272 1 767 . 1 1 68 68 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 6272 1 768 . 1 1 68 68 LEU HD11 H 1 0.80 0.01 . 1 . . . . . . . . 6272 1 769 . 1 1 68 68 LEU HD12 H 1 0.80 0.01 . 1 . . . . . . . . 6272 1 770 . 1 1 68 68 LEU HD13 H 1 0.80 0.01 . 1 . . . . . . . . 6272 1 771 . 1 1 68 68 LEU HD21 H 1 0.66 0.01 . 1 . . . . . . . . 6272 1 772 . 1 1 68 68 LEU HD22 H 1 0.66 0.01 . 1 . . . . . . . . 6272 1 773 . 1 1 68 68 LEU HD23 H 1 0.66 0.01 . 1 . . . . . . . . 6272 1 774 . 1 1 68 68 LEU C C 13 176.82 0.05 . 1 . . . . . . . . 6272 1 775 . 1 1 68 68 LEU CA C 13 55.51 0.05 . 1 . . . . . . . . 6272 1 776 . 1 1 68 68 LEU CB C 13 39.00 0.05 . 1 . . . . . . . . 6272 1 777 . 1 1 68 68 LEU CG C 13 26.86 0.05 . 1 . . . . . . . . 6272 1 778 . 1 1 68 68 LEU CD1 C 13 25.87 0.05 . 1 . . . . . . . . 6272 1 779 . 1 1 68 68 LEU CD2 C 13 22.76 0.05 . 1 . . . . . . . . 6272 1 780 . 1 1 68 68 LEU N N 15 122.56 0.05 . 1 . . . . . . . . 6272 1 781 . 1 1 69 69 GLY H H 1 8.41 0.01 . 1 . . . . . . . . 6272 1 782 . 1 1 69 69 GLY HA2 H 1 4.36 0.01 . 2 . . . . . . . . 6272 1 783 . 1 1 69 69 GLY HA3 H 1 3.64 0.01 . 2 . . . . . . . . 6272 1 784 . 1 1 69 69 GLY C C 13 173.93 0.05 . 1 . . . . . . . . 6272 1 785 . 1 1 69 69 GLY CA C 13 45.87 0.05 . 1 . . . . . . . . 6272 1 786 . 1 1 69 69 GLY N N 15 101.51 0.05 . 1 . . . . . . . . 6272 1 787 . 1 1 70 70 ALA H H 1 8.24 0.01 . 1 . . . . . . . . 6272 1 788 . 1 1 70 70 ALA HA H 1 4.84 0.01 . 1 . . . . . . . . 6272 1 789 . 1 1 70 70 ALA HB1 H 1 1.55 0.01 . 1 . . . . . . . . 6272 1 790 . 1 1 70 70 ALA HB2 H 1 1.55 0.01 . 1 . . . . . . . . 6272 1 791 . 1 1 70 70 ALA HB3 H 1 1.55 0.01 . 1 . . . . . . . . 6272 1 792 . 1 1 70 70 ALA C C 13 175.86 0.05 . 1 . . . . . . . . 6272 1 793 . 1 1 70 70 ALA CA C 13 50.46 0.05 . 1 . . . . . . . . 6272 1 794 . 1 1 70 70 ALA CB C 13 21.78 0.05 . 1 . . . . . . . . 6272 1 795 . 1 1 70 70 ALA N N 15 124.97 0.05 . 1 . . . . . . . . 6272 1 796 . 1 1 71 71 ARG H H 1 8.61 0.01 . 1 . . . . . . . . 6272 1 797 . 1 1 71 71 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 6272 1 798 . 1 1 71 71 ARG HB2 H 1 1.79 0.01 . 1 . . . . . . . . 6272 1 799 . 1 1 71 71 ARG HB3 H 1 1.71 0.01 . 1 . . . . . . . . 6272 1 800 . 1 1 71 71 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 6272 1 801 . 1 1 71 71 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 6272 1 802 . 1 1 71 71 ARG HD2 H 1 3.28 0.01 . 1 . . . . . . . . 6272 1 803 . 1 1 71 71 ARG HD3 H 1 3.28 0.01 . 1 . . . . . . . . 6272 1 804 . 1 1 71 71 ARG C C 13 176.22 0.05 . 1 . . . . . . . . 6272 1 805 . 1 1 71 71 ARG CA C 13 56.56 0.05 . 1 . . . . . . . . 6272 1 806 . 1 1 71 71 ARG CB C 13 30.11 0.05 . 1 . . . . . . . . 6272 1 807 . 1 1 71 71 ARG CG C 13 28.08 0.05 . 1 . . . . . . . . 6272 1 808 . 1 1 71 71 ARG CD C 13 43.49 0.05 . 1 . . . . . . . . 6272 1 809 . 1 1 71 71 ARG N N 15 120.63 0.05 . 1 . . . . . . . . 6272 1 810 . 1 1 72 72 ILE H H 1 8.56 0.01 . 1 . . . . . . . . 6272 1 811 . 1 1 72 72 ILE HA H 1 4.36 0.01 . 1 . . . . . . . . 6272 1 812 . 1 1 72 72 ILE HB H 1 1.99 0.01 . 1 . . . . . . . . 6272 1 813 . 1 1 72 72 ILE HG12 H 1 1.52 0.01 . 1 . . . . . . . . 6272 1 814 . 1 1 72 72 ILE HG13 H 1 1.31 0.01 . 1 . . . . . . . . 6272 1 815 . 1 1 72 72 ILE HG21 H 1 1.07 0.01 . 1 . . . . . . . . 6272 1 816 . 1 1 72 72 ILE HG22 H 1 1.07 0.01 . 1 . . . . . . . . 6272 1 817 . 1 1 72 72 ILE HG23 H 1 1.07 0.01 . 1 . . . . . . . . 6272 1 818 . 1 1 72 72 ILE HD11 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 819 . 1 1 72 72 ILE HD12 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 820 . 1 1 72 72 ILE HD13 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 821 . 1 1 72 72 ILE C C 13 176.65 0.05 . 1 . . . . . . . . 6272 1 822 . 1 1 72 72 ILE CA C 13 58.74 0.05 . 1 . . . . . . . . 6272 1 823 . 1 1 72 72 ILE CB C 13 34.64 0.05 . 1 . . . . . . . . 6272 1 824 . 1 1 72 72 ILE CG2 C 13 17.55 0.05 . 1 . . . . . . . . 6272 1 825 . 1 1 72 72 ILE N N 15 127.86 0.05 . 1 . . . . . . . . 6272 1 826 . 1 1 73 73 ILE H H 1 7.57 0.01 . 1 . . . . . . . . 6272 1 827 . 1 1 73 73 ILE HA H 1 4.28 0.01 . 1 . . . . . . . . 6272 1 828 . 1 1 73 73 ILE HB H 1 1.89 0.01 . 1 . . . . . . . . 6272 1 829 . 1 1 73 73 ILE HG12 H 1 1.34 0.01 . 1 . . . . . . . . 6272 1 830 . 1 1 73 73 ILE HG13 H 1 1.34 0.01 . 1 . . . . . . . . 6272 1 831 . 1 1 73 73 ILE HG21 H 1 1.13 0.01 . 1 . . . . . . . . 6272 1 832 . 1 1 73 73 ILE HG22 H 1 1.13 0.01 . 1 . . . . . . . . 6272 1 833 . 1 1 73 73 ILE HG23 H 1 1.13 0.01 . 1 . . . . . . . . 6272 1 834 . 1 1 73 73 ILE HD11 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 835 . 1 1 73 73 ILE HD12 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 836 . 1 1 73 73 ILE HD13 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 837 . 1 1 73 73 ILE C C 13 174.32 0.05 . 1 . . . . . . . . 6272 1 838 . 1 1 73 73 ILE CA C 13 60.24 0.05 . 1 . . . . . . . . 6272 1 839 . 1 1 73 73 ILE CB C 13 39.29 0.05 . 1 . . . . . . . . 6272 1 840 . 1 1 73 73 ILE CG2 C 13 17.64 0.05 . 1 . . . . . . . . 6272 1 841 . 1 1 73 73 ILE CD1 C 13 13.27 0.05 . 1 . . . . . . . . 6272 1 842 . 1 1 73 73 ILE N N 15 123.52 0.05 . 1 . . . . . . . . 6272 1 843 . 1 1 74 74 GLY H H 1 7.37 0.01 . 1 . . . . . . . . 6272 1 844 . 1 1 74 74 GLY HA2 H 1 2.99 0.01 . 1 . . . . . . . . 6272 1 845 . 1 1 74 74 GLY HA3 H 1 2.99 0.01 . 1 . . . . . . . . 6272 1 846 . 1 1 74 74 GLY C C 13 170.50 0.05 . 1 . . . . . . . . 6272 1 847 . 1 1 74 74 GLY CA C 13 44.59 0.05 . 1 . . . . . . . . 6272 1 848 . 1 1 74 74 GLY N N 15 105.69 0.05 . 1 . . . . . . . . 6272 1 849 . 1 1 75 75 ILE H H 1 5.38 0.01 . 1 . . . . . . . . 6272 1 850 . 1 1 75 75 ILE HA H 1 4.30 0.01 . 1 . . . . . . . . 6272 1 851 . 1 1 75 75 ILE HB H 1 1.95 0.01 . 1 . . . . . . . . 6272 1 852 . 1 1 75 75 ILE HG12 H 1 1.62 0.01 . 1 . . . . . . . . 6272 1 853 . 1 1 75 75 ILE HG13 H 1 1.36 0.01 . 1 . . . . . . . . 6272 1 854 . 1 1 75 75 ILE HG21 H 1 0.99 0.01 . 1 . . . . . . . . 6272 1 855 . 1 1 75 75 ILE HG22 H 1 0.99 0.01 . 1 . . . . . . . . 6272 1 856 . 1 1 75 75 ILE HG23 H 1 0.99 0.01 . 1 . . . . . . . . 6272 1 857 . 1 1 75 75 ILE HD11 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 858 . 1 1 75 75 ILE HD12 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 859 . 1 1 75 75 ILE HD13 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 860 . 1 1 75 75 ILE CA C 13 57.23 0.05 . 1 . . . . . . . . 6272 1 861 . 1 1 75 75 ILE CB C 13 40.06 0.05 . 1 . . . . . . . . 6272 1 862 . 1 1 75 75 ILE N N 15 120.63 0.05 . 1 . . . . . . . . 6272 1 863 . 1 1 76 76 PRO HA H 1 4.34 0.01 . 1 . . . . . . . . 6272 1 864 . 1 1 76 76 PRO HB2 H 1 2.31 0.01 . 1 . . . . . . . . 6272 1 865 . 1 1 76 76 PRO HB3 H 1 2.21 0.01 . 1 . . . . . . . . 6272 1 866 . 1 1 76 76 PRO HG2 H 1 2.04 0.01 . 1 . . . . . . . . 6272 1 867 . 1 1 76 76 PRO HG3 H 1 2.04 0.01 . 1 . . . . . . . . 6272 1 868 . 1 1 76 76 PRO HD2 H 1 3.06 0.01 . 1 . . . . . . . . 6272 1 869 . 1 1 76 76 PRO HD3 H 1 3.06 0.01 . 1 . . . . . . . . 6272 1 870 . 1 1 77 77 PRO HA H 1 4.66 0.01 . 1 . . . . . . . . 6272 1 871 . 1 1 77 77 PRO HB2 H 1 2.40 0.01 . 1 . . . . . . . . 6272 1 872 . 1 1 77 77 PRO HB3 H 1 2.40 0.01 . 1 . . . . . . . . 6272 1 873 . 1 1 77 77 PRO HG2 H 1 1.69 0.01 . 1 . . . . . . . . 6272 1 874 . 1 1 77 77 PRO HG3 H 1 1.69 0.01 . 1 . . . . . . . . 6272 1 875 . 1 1 77 77 PRO HD2 H 1 3.62 0.01 . 1 . . . . . . . . 6272 1 876 . 1 1 77 77 PRO HD3 H 1 3.25 0.01 . 1 . . . . . . . . 6272 1 877 . 1 1 77 77 PRO C C 13 174.29 0.05 . 1 . . . . . . . . 6272 1 878 . 1 1 77 77 PRO CA C 13 59.17 0.05 . 1 . . . . . . . . 6272 1 879 . 1 1 77 77 PRO CB C 13 36.87 0.05 . 1 . . . . . . . . 6272 1 880 . 1 1 77 77 PRO CG C 13 24.60 0.05 . 1 . . . . . . . . 6272 1 881 . 1 1 77 77 PRO CD C 13 49.54 0.05 . 1 . . . . . . . . 6272 1 882 . 1 1 78 78 VAL H H 1 8.10 0.01 . 1 . . . . . . . . 6272 1 883 . 1 1 78 78 VAL HA H 1 4.42 0.01 . 1 . . . . . . . . 6272 1 884 . 1 1 78 78 VAL HB H 1 1.38 0.01 . 1 . . . . . . . . 6272 1 885 . 1 1 78 78 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 6272 1 886 . 1 1 78 78 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 6272 1 887 . 1 1 78 78 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 6272 1 888 . 1 1 78 78 VAL HG21 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 889 . 1 1 78 78 VAL HG22 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 890 . 1 1 78 78 VAL HG23 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 891 . 1 1 78 78 VAL CA C 13 61.86 0.05 . 1 . . . . . . . . 6272 1 892 . 1 1 78 78 VAL CB C 13 33.19 0.05 . 1 . . . . . . . . 6272 1 893 . 1 1 78 78 VAL N N 15 119.69 0.05 . 1 . . . . . . . . 6272 1 894 . 1 1 79 79 PRO HA H 1 4.85 0.01 . 1 . . . . . . . . 6272 1 895 . 1 1 79 79 PRO HB2 H 1 2.28 0.01 . 1 . . . . . . . . 6272 1 896 . 1 1 79 79 PRO HB3 H 1 2.04 0.01 . 1 . . . . . . . . 6272 1 897 . 1 1 79 79 PRO HG2 H 1 1.94 0.01 . 1 . . . . . . . . 6272 1 898 . 1 1 79 79 PRO HG3 H 1 1.74 0.01 . 1 . . . . . . . . 6272 1 899 . 1 1 79 79 PRO HD2 H 1 3.93 0.01 . 1 . . . . . . . . 6272 1 900 . 1 1 79 79 PRO HD3 H 1 3.93 0.01 . 1 . . . . . . . . 6272 1 901 . 1 1 79 79 PRO C C 13 177.04 0.05 . 1 . . . . . . . . 6272 1 902 . 1 1 79 79 PRO CA C 13 61.67 0.05 . 1 . . . . . . . . 6272 1 903 . 1 1 79 79 PRO CB C 13 32.40 0.05 . 1 . . . . . . . . 6272 1 904 . 1 1 79 79 PRO CG C 13 25.82 0.05 . 1 . . . . . . . . 6272 1 905 . 1 1 79 79 PRO CD C 13 49.17 0.05 . 1 . . . . . . . . 6272 1 906 . 1 1 80 80 ILE H H 1 8.58 0.01 . 1 . . . . . . . . 6272 1 907 . 1 1 80 80 ILE HA H 1 4.68 0.01 . 1 . . . . . . . . 6272 1 908 . 1 1 80 80 ILE HB H 1 1.86 0.01 . 1 . . . . . . . . 6272 1 909 . 1 1 80 80 ILE HG12 H 1 1.56 0.01 . 1 . . . . . . . . 6272 1 910 . 1 1 80 80 ILE HG13 H 1 1.56 0.01 . 1 . . . . . . . . 6272 1 911 . 1 1 80 80 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 6272 1 912 . 1 1 80 80 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 6272 1 913 . 1 1 80 80 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 6272 1 914 . 1 1 80 80 ILE HD11 H 1 0.84 0.01 . 1 . . . . . . . . 6272 1 915 . 1 1 80 80 ILE HD12 H 1 0.84 0.01 . 1 . . . . . . . . 6272 1 916 . 1 1 80 80 ILE HD13 H 1 0.84 0.01 . 1 . . . . . . . . 6272 1 917 . 1 1 80 80 ILE C C 13 176.14 0.05 . 1 . . . . . . . . 6272 1 918 . 1 1 80 80 ILE CA C 13 57.57 0.05 . 1 . . . . . . . . 6272 1 919 . 1 1 80 80 ILE CB C 13 38.69 0.05 . 1 . . . . . . . . 6272 1 920 . 1 1 80 80 ILE CG2 C 13 17.00 0.05 . 1 . . . . . . . . 6272 1 921 . 1 1 80 80 ILE N N 15 116.29 0.05 . 1 . . . . . . . . 6272 1 922 . 1 1 81 81 GLY H H 1 9.46 0.01 . 1 . . . . . . . . 6272 1 923 . 1 1 81 81 GLY HA2 H 1 4.99 0.01 . 1 . . . . . . . . 6272 1 924 . 1 1 81 81 GLY HA3 H 1 4.99 0.01 . 1 . . . . . . . . 6272 1 925 . 1 1 81 81 GLY C C 13 172.90 0.05 . 1 . . . . . . . . 6272 1 926 . 1 1 81 81 GLY CA C 13 44.77 0.05 . 1 . . . . . . . . 6272 1 927 . 1 1 81 81 GLY N N 15 111.96 0.05 . 1 . . . . . . . . 6272 1 928 . 1 1 82 82 ILE H H 1 9.35 0.01 . 1 . . . . . . . . 6272 1 929 . 1 1 82 82 ILE HA H 1 4.76 0.01 . 1 . . . . . . . . 6272 1 930 . 1 1 82 82 ILE HB H 1 1.70 0.01 . 1 . . . . . . . . 6272 1 931 . 1 1 82 82 ILE HG12 H 1 1.45 0.01 . 1 . . . . . . . . 6272 1 932 . 1 1 82 82 ILE HG13 H 1 1.17 0.01 . 1 . . . . . . . . 6272 1 933 . 1 1 82 82 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 934 . 1 1 82 82 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 935 . 1 1 82 82 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 6272 1 936 . 1 1 82 82 ILE HD11 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 937 . 1 1 82 82 ILE HD12 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 938 . 1 1 82 82 ILE HD13 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 939 . 1 1 82 82 ILE C C 13 174.44 0.05 . 1 . . . . . . . . 6272 1 940 . 1 1 82 82 ILE CA C 13 59.57 0.05 . 1 . . . . . . . . 6272 1 941 . 1 1 82 82 ILE CB C 13 41.67 0.05 . 1 . . . . . . . . 6272 1 942 . 1 1 82 82 ILE CG2 C 13 17.90 0.05 . 1 . . . . . . . . 6272 1 943 . 1 1 82 82 ILE N N 15 123.52 0.05 . 1 . . . . . . . . 6272 1 944 . 1 1 83 83 ASP H H 1 8.52 0.01 . 1 . . . . . . . . 6272 1 945 . 1 1 83 83 ASP HA H 1 4.97 0.01 . 1 . . . . . . . . 6272 1 946 . 1 1 83 83 ASP HB2 H 1 3.45 0.01 . 1 . . . . . . . . 6272 1 947 . 1 1 83 83 ASP HB3 H 1 2.69 0.01 . 1 . . . . . . . . 6272 1 948 . 1 1 83 83 ASP C C 13 177.44 0.05 . 1 . . . . . . . . 6272 1 949 . 1 1 83 83 ASP CA C 13 52.42 0.05 . 1 . . . . . . . . 6272 1 950 . 1 1 83 83 ASP CB C 13 41.27 0.05 . 1 . . . . . . . . 6272 1 951 . 1 1 83 83 ASP N N 15 125.93 0.05 . 1 . . . . . . . . 6272 1 952 . 1 1 84 84 GLU H H 1 9.40 0.01 . 1 . . . . . . . . 6272 1 953 . 1 1 84 84 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 6272 1 954 . 1 1 84 84 GLU HB2 H 1 2.03 0.01 . 1 . . . . . . . . 6272 1 955 . 1 1 84 84 GLU HB3 H 1 2.03 0.01 . 1 . . . . . . . . 6272 1 956 . 1 1 84 84 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 6272 1 957 . 1 1 84 84 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 6272 1 958 . 1 1 84 84 GLU C C 13 177.30 0.05 . 1 . . . . . . . . 6272 1 959 . 1 1 84 84 GLU CA C 13 58.81 0.05 . 1 . . . . . . . . 6272 1 960 . 1 1 84 84 GLU CB C 13 30.21 0.05 . 1 . . . . . . . . 6272 1 961 . 1 1 84 84 GLU CG C 13 38.12 0.05 . 1 . . . . . . . . 6272 1 962 . 1 1 84 84 GLU N N 15 123.52 0.05 . 1 . . . . . . . . 6272 1 963 . 1 1 85 85 GLU H H 1 8.42 0.01 . 1 . . . . . . . . 6272 1 964 . 1 1 85 85 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 6272 1 965 . 1 1 85 85 GLU HB2 H 1 1.96 0.01 . 1 . . . . . . . . 6272 1 966 . 1 1 85 85 GLU HB3 H 1 1.72 0.01 . 1 . . . . . . . . 6272 1 967 . 1 1 85 85 GLU HG2 H 1 2.46 0.01 . 1 . . . . . . . . 6272 1 968 . 1 1 85 85 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 6272 1 969 . 1 1 85 85 GLU C C 13 178.50 0.05 . 1 . . . . . . . . 6272 1 970 . 1 1 85 85 GLU CA C 13 58.77 0.05 . 1 . . . . . . . . 6272 1 971 . 1 1 85 85 GLU CB C 13 29.79 0.05 . 1 . . . . . . . . 6272 1 972 . 1 1 85 85 GLU CG C 13 36.44 0.05 . 1 . . . . . . . . 6272 1 973 . 1 1 85 85 GLU N N 15 120.15 0.05 . 1 . . . . . . . . 6272 1 974 . 1 1 86 86 ARG H H 1 7.88 0.01 . 1 . . . . . . . . 6272 1 975 . 1 1 86 86 ARG HA H 1 4.24 0.01 . 1 . . . . . . . . 6272 1 976 . 1 1 86 86 ARG HB2 H 1 1.89 0.01 . 1 . . . . . . . . 6272 1 977 . 1 1 86 86 ARG HB3 H 1 1.89 0.01 . 1 . . . . . . . . 6272 1 978 . 1 1 86 86 ARG HG2 H 1 1.56 0.01 . 1 . . . . . . . . 6272 1 979 . 1 1 86 86 ARG HG3 H 1 1.52 0.01 . 1 . . . . . . . . 6272 1 980 . 1 1 86 86 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 6272 1 981 . 1 1 86 86 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 6272 1 982 . 1 1 86 86 ARG C C 13 175.49 0.05 . 1 . . . . . . . . 6272 1 983 . 1 1 86 86 ARG CA C 13 56.19 0.05 . 1 . . . . . . . . 6272 1 984 . 1 1 86 86 ARG CB C 13 31.16 0.05 . 1 . . . . . . . . 6272 1 985 . 1 1 86 86 ARG CG C 13 28.33 0.05 . 1 . . . . . . . . 6272 1 986 . 1 1 86 86 ARG CD C 13 43.34 0.05 . 1 . . . . . . . . 6272 1 987 . 1 1 86 86 ARG N N 15 117.74 0.05 . 1 . . . . . . . . 6272 1 988 . 1 1 87 87 SER H H 1 7.95 0.01 . 1 . . . . . . . . 6272 1 989 . 1 1 87 87 SER HA H 1 3.92 0.01 . 1 . . . . . . . . 6272 1 990 . 1 1 87 87 SER HB2 H 1 3.66 0.01 . 1 . . . . . . . . 6272 1 991 . 1 1 87 87 SER HB3 H 1 3.66 0.01 . 1 . . . . . . . . 6272 1 992 . 1 1 87 87 SER C C 13 173.44 0.05 . 1 . . . . . . . . 6272 1 993 . 1 1 87 87 SER CA C 13 58.91 0.05 . 1 . . . . . . . . 6272 1 994 . 1 1 87 87 SER CB C 13 62.24 0.05 . 1 . . . . . . . . 6272 1 995 . 1 1 87 87 SER N N 15 115.81 0.05 . 1 . . . . . . . . 6272 1 996 . 1 1 88 88 THR H H 1 8.05 0.01 . 1 . . . . . . . . 6272 1 997 . 1 1 88 88 THR HA H 1 5.48 0.01 . 1 . . . . . . . . 6272 1 998 . 1 1 88 88 THR HB H 1 4.11 0.01 . 1 . . . . . . . . 6272 1 999 . 1 1 88 88 THR HG21 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 1000 . 1 1 88 88 THR HG22 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 1001 . 1 1 88 88 THR HG23 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 1002 . 1 1 88 88 THR C C 13 174.23 0.05 . 1 . . . . . . . . 6272 1 1003 . 1 1 88 88 THR CA C 13 58.33 0.05 . 1 . . . . . . . . 6272 1 1004 . 1 1 88 88 THR CB C 13 72.10 0.05 . 1 . . . . . . . . 6272 1 1005 . 1 1 88 88 THR CG2 C 13 21.51 0.05 . 1 . . . . . . . . 6272 1 1006 . 1 1 88 88 THR N N 15 107.62 0.05 . 1 . . . . . . . . 6272 1 1007 . 1 1 89 89 VAL H H 1 8.64 0.01 . 1 . . . . . . . . 6272 1 1008 . 1 1 89 89 VAL HA H 1 5.21 0.01 . 1 . . . . . . . . 6272 1 1009 . 1 1 89 89 VAL HB H 1 1.84 0.01 . 1 . . . . . . . . 6272 1 1010 . 1 1 89 89 VAL HG11 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 1011 . 1 1 89 89 VAL HG12 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 1012 . 1 1 89 89 VAL HG13 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 1013 . 1 1 89 89 VAL HG21 H 1 0.55 0.01 . 1 . . . . . . . . 6272 1 1014 . 1 1 89 89 VAL HG22 H 1 0.55 0.01 . 1 . . . . . . . . 6272 1 1015 . 1 1 89 89 VAL HG23 H 1 0.55 0.01 . 1 . . . . . . . . 6272 1 1016 . 1 1 89 89 VAL C C 13 173.40 0.05 . 1 . . . . . . . . 6272 1 1017 . 1 1 89 89 VAL CA C 13 58.92 0.05 . 1 . . . . . . . . 6272 1 1018 . 1 1 89 89 VAL CB C 13 35.38 0.05 . 1 . . . . . . . . 6272 1 1019 . 1 1 89 89 VAL CG1 C 13 21.45 0.05 . 1 . . . . . . . . 6272 1 1020 . 1 1 89 89 VAL CG2 C 13 21.25 0.05 . 1 . . . . . . . . 6272 1 1021 . 1 1 89 89 VAL N N 15 115.33 0.05 . 1 . . . . . . . . 6272 1 1022 . 1 1 90 90 MET H H 1 9.42 0.01 . 1 . . . . . . . . 6272 1 1023 . 1 1 90 90 MET HA H 1 5.61 0.01 . 1 . . . . . . . . 6272 1 1024 . 1 1 90 90 MET HB2 H 1 2.04 0.01 . 1 . . . . . . . . 6272 1 1025 . 1 1 90 90 MET HB3 H 1 2.04 0.01 . 1 . . . . . . . . 6272 1 1026 . 1 1 90 90 MET HG2 H 1 2.34 0.01 . 1 . . . . . . . . 6272 1 1027 . 1 1 90 90 MET HG3 H 1 2.34 0.01 . 1 . . . . . . . . 6272 1 1028 . 1 1 90 90 MET C C 13 175.01 0.05 . 1 . . . . . . . . 6272 1 1029 . 1 1 90 90 MET CA C 13 54.09 0.05 . 1 . . . . . . . . 6272 1 1030 . 1 1 90 90 MET CB C 13 37.16 0.05 . 1 . . . . . . . . 6272 1 1031 . 1 1 90 90 MET CG C 13 31.77 0.05 . 1 . . . . . . . . 6272 1 1032 . 1 1 90 90 MET N N 15 125.93 0.05 . 1 . . . . . . . . 6272 1 1033 . 1 1 91 91 ILE H H 1 9.17 0.01 . 1 . . . . . . . . 6272 1 1034 . 1 1 91 91 ILE HA H 1 5.16 0.01 . 1 . . . . . . . . 6272 1 1035 . 1 1 91 91 ILE HB H 1 1.98 0.01 . 1 . . . . . . . . 6272 1 1036 . 1 1 91 91 ILE HG12 H 1 1.69 0.01 . 1 . . . . . . . . 6272 1 1037 . 1 1 91 91 ILE HG13 H 1 1.69 0.01 . 1 . . . . . . . . 6272 1 1038 . 1 1 91 91 ILE HG21 H 1 1.05 0.01 . 1 . . . . . . . . 6272 1 1039 . 1 1 91 91 ILE HG22 H 1 1.05 0.01 . 1 . . . . . . . . 6272 1 1040 . 1 1 91 91 ILE HG23 H 1 1.05 0.01 . 1 . . . . . . . . 6272 1 1041 . 1 1 91 91 ILE HD11 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 1042 . 1 1 91 91 ILE HD12 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 1043 . 1 1 91 91 ILE HD13 H 1 0.85 0.01 . 1 . . . . . . . . 6272 1 1044 . 1 1 91 91 ILE CA C 13 57.25 0.05 . 1 . . . . . . . . 6272 1 1045 . 1 1 91 91 ILE CB C 13 41.97 0.05 . 1 . . . . . . . . 6272 1 1046 . 1 1 91 91 ILE N N 15 120.63 0.05 . 1 . . . . . . . . 6272 1 1047 . 1 1 92 92 PRO HA H 1 5.54 0.01 . 1 . . . . . . . . 6272 1 1048 . 1 1 92 92 PRO HB2 H 1 2.33 0.01 . 1 . . . . . . . . 6272 1 1049 . 1 1 92 92 PRO HB3 H 1 2.33 0.01 . 1 . . . . . . . . 6272 1 1050 . 1 1 92 92 PRO HG2 H 1 1.42 0.01 . 1 . . . . . . . . 6272 1 1051 . 1 1 92 92 PRO HG3 H 1 1.42 0.01 . 1 . . . . . . . . 6272 1 1052 . 1 1 92 92 PRO HD2 H 1 3.54 0.01 . 1 . . . . . . . . 6272 1 1053 . 1 1 92 92 PRO HD3 H 1 3.54 0.01 . 1 . . . . . . . . 6272 1 1054 . 1 1 92 92 PRO C C 13 174.14 0.05 . 1 . . . . . . . . 6272 1 1055 . 1 1 92 92 PRO CA C 13 60.45 0.05 . 1 . . . . . . . . 6272 1 1056 . 1 1 92 92 PRO CB C 13 28.56 0.05 . 1 . . . . . . . . 6272 1 1057 . 1 1 93 93 TYR H H 1 9.45 0.01 . 1 . . . . . . . . 6272 1 1058 . 1 1 93 93 TYR HA H 1 4.87 0.01 . 1 . . . . . . . . 6272 1 1059 . 1 1 93 93 TYR HB2 H 1 2.86 0.01 . 1 . . . . . . . . 6272 1 1060 . 1 1 93 93 TYR HB3 H 1 2.69 0.01 . 1 . . . . . . . . 6272 1 1061 . 1 1 93 93 TYR HD1 H 1 7.10 0.01 . 1 . . . . . . . . 6272 1 1062 . 1 1 93 93 TYR HD2 H 1 7.10 0.01 . 1 . . . . . . . . 6272 1 1063 . 1 1 93 93 TYR HE1 H 1 6.93 0.01 . 3 . . . . . . . . 6272 1 1064 . 1 1 93 93 TYR HE2 H 1 6.89 0.01 . 3 . . . . . . . . 6272 1 1065 . 1 1 93 93 TYR C C 13 174.31 0.05 . 1 . . . . . . . . 6272 1 1066 . 1 1 93 93 TYR CA C 13 56.66 0.05 . 1 . . . . . . . . 6272 1 1067 . 1 1 93 93 TYR CB C 13 41.04 0.05 . 1 . . . . . . . . 6272 1 1068 . 1 1 93 93 TYR CD1 C 13 131.35 0.05 . 1 . . . . . . . . 6272 1 1069 . 1 1 93 93 TYR CD2 C 13 131.35 0.05 . 1 . . . . . . . . 6272 1 1070 . 1 1 93 93 TYR CE1 C 13 119.59 0.05 . 3 . . . . . . . . 6272 1 1071 . 1 1 93 93 TYR CE2 C 13 118.35 0.05 . 3 . . . . . . . . 6272 1 1072 . 1 1 93 93 TYR N N 15 128.34 0.05 . 1 . . . . . . . . 6272 1 1073 . 1 1 94 94 THR H H 1 8.22 0.01 . 1 . . . . . . . . 6272 1 1074 . 1 1 94 94 THR HA H 1 4.93 0.01 . 1 . . . . . . . . 6272 1 1075 . 1 1 94 94 THR HB H 1 3.93 0.01 . 1 . . . . . . . . 6272 1 1076 . 1 1 94 94 THR HG21 H 1 1.05 0.01 . 1 . . . . . . . . 6272 1 1077 . 1 1 94 94 THR HG22 H 1 1.05 0.01 . 1 . . . . . . . . 6272 1 1078 . 1 1 94 94 THR HG23 H 1 1.05 0.01 . 1 . . . . . . . . 6272 1 1079 . 1 1 94 94 THR C C 13 175.58 0.05 . 1 . . . . . . . . 6272 1 1080 . 1 1 94 94 THR CA C 13 62.61 0.05 . 1 . . . . . . . . 6272 1 1081 . 1 1 94 94 THR CB C 13 69.83 0.05 . 1 . . . . . . . . 6272 1 1082 . 1 1 94 94 THR CG2 C 13 21.07 0.05 . 1 . . . . . . . . 6272 1 1083 . 1 1 94 94 THR N N 15 127.38 0.05 . 1 . . . . . . . . 6272 1 1084 . 1 1 95 95 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 6272 1 1085 . 1 1 95 95 LYS HA H 1 4.86 0.01 . 1 . . . . . . . . 6272 1 1086 . 1 1 95 95 LYS HB2 H 1 1.62 0.01 . 1 . . . . . . . . 6272 1 1087 . 1 1 95 95 LYS HB3 H 1 1.62 0.01 . 1 . . . . . . . . 6272 1 1088 . 1 1 95 95 LYS HG2 H 1 1.33 0.01 . 1 . . . . . . . . 6272 1 1089 . 1 1 95 95 LYS HG3 H 1 1.33 0.01 . 1 . . . . . . . . 6272 1 1090 . 1 1 95 95 LYS HD2 H 1 1.46 0.01 . 1 . . . . . . . . 6272 1 1091 . 1 1 95 95 LYS HD3 H 1 1.46 0.01 . 1 . . . . . . . . 6272 1 1092 . 1 1 95 95 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 6272 1 1093 . 1 1 95 95 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 6272 1 1094 . 1 1 95 95 LYS CA C 13 52.56 0.05 . 1 . . . . . . . . 6272 1 1095 . 1 1 95 95 LYS CB C 13 35.17 0.05 . 1 . . . . . . . . 6272 1 1096 . 1 1 95 95 LYS N N 15 127.38 0.05 . 1 . . . . . . . . 6272 1 1097 . 1 1 96 96 PRO HA H 1 4.66 0.01 . 1 . . . . . . . . 6272 1 1098 . 1 1 96 96 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 6272 1 1099 . 1 1 96 96 PRO HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6272 1 1100 . 1 1 96 96 PRO HG2 H 1 1.76 0.01 . 1 . . . . . . . . 6272 1 1101 . 1 1 96 96 PRO HG3 H 1 1.58 0.01 . 1 . . . . . . . . 6272 1 1102 . 1 1 96 96 PRO HD2 H 1 3.65 0.01 . 1 . . . . . . . . 6272 1 1103 . 1 1 96 96 PRO HD3 H 1 3.65 0.01 . 1 . . . . . . . . 6272 1 1104 . 1 1 96 96 PRO C C 13 176.06 0.05 . 1 . . . . . . . . 6272 1 1105 . 1 1 96 96 PRO CA C 13 61.83 0.05 . 1 . . . . . . . . 6272 1 1106 . 1 1 96 96 PRO CB C 13 33.67 0.05 . 1 . . . . . . . . 6272 1 1107 . 1 1 97 97 CYS H H 1 9.17 0.01 . 1 . . . . . . . . 6272 1 1108 . 1 1 97 97 CYS HA H 1 4.62 0.01 . 1 . . . . . . . . 6272 1 1109 . 1 1 97 97 CYS HB2 H 1 2.98 0.01 . 1 . . . . . . . . 6272 1 1110 . 1 1 97 97 CYS HB3 H 1 2.57 0.01 . 1 . . . . . . . . 6272 1 1111 . 1 1 97 97 CYS C C 13 177.42 0.05 . 1 . . . . . . . . 6272 1 1112 . 1 1 97 97 CYS CA C 13 61.86 0.05 . 1 . . . . . . . . 6272 1 1113 . 1 1 97 97 CYS CB C 13 31.55 0.05 . 1 . . . . . . . . 6272 1 1114 . 1 1 97 97 CYS N N 15 127.38 0.05 . 1 . . . . . . . . 6272 1 1115 . 1 1 98 98 TYR H H 1 8.18 0.01 . 1 . . . . . . . . 6272 1 1116 . 1 1 98 98 TYR HA H 1 4.13 0.01 . 1 . . . . . . . . 6272 1 1117 . 1 1 98 98 TYR HB2 H 1 3.19 0.01 . 1 . . . . . . . . 6272 1 1118 . 1 1 98 98 TYR HB3 H 1 2.87 0.01 . 1 . . . . . . . . 6272 1 1119 . 1 1 98 98 TYR HD1 H 1 7.14 0.01 . 1 . . . . . . . . 6272 1 1120 . 1 1 98 98 TYR HD2 H 1 7.14 0.01 . 1 . . . . . . . . 6272 1 1121 . 1 1 98 98 TYR HE1 H 1 6.86 0.01 . 1 . . . . . . . . 6272 1 1122 . 1 1 98 98 TYR HE2 H 1 6.86 0.01 . 1 . . . . . . . . 6272 1 1123 . 1 1 98 98 TYR C C 13 175.12 0.05 . 1 . . . . . . . . 6272 1 1124 . 1 1 98 98 TYR CA C 13 59.07 0.05 . 1 . . . . . . . . 6272 1 1125 . 1 1 98 98 TYR CB C 13 40.50 0.05 . 1 . . . . . . . . 6272 1 1126 . 1 1 98 98 TYR CD1 C 13 130.43 0.05 . 1 . . . . . . . . 6272 1 1127 . 1 1 98 98 TYR CD2 C 13 130.43 0.05 . 1 . . . . . . . . 6272 1 1128 . 1 1 98 98 TYR CE1 C 13 116.75 0.05 . 1 . . . . . . . . 6272 1 1129 . 1 1 98 98 TYR CE2 C 13 116.75 0.05 . 1 . . . . . . . . 6272 1 1130 . 1 1 98 98 TYR N N 15 118.70 0.05 . 1 . . . . . . . . 6272 1 1131 . 1 1 99 99 GLY H H 1 8.23 0.01 . 1 . . . . . . . . 6272 1 1132 . 1 1 99 99 GLY HA2 H 1 4.29 0.01 . 2 . . . . . . . . 6272 1 1133 . 1 1 99 99 GLY HA3 H 1 3.93 0.01 . 2 . . . . . . . . 6272 1 1134 . 1 1 99 99 GLY C C 13 172.49 0.05 . 1 . . . . . . . . 6272 1 1135 . 1 1 99 99 GLY CA C 13 45.18 0.05 . 1 . . . . . . . . 6272 1 1136 . 1 1 99 99 GLY N N 15 108.10 0.05 . 1 . . . . . . . . 6272 1 1137 . 1 1 100 100 THR H H 1 9.18 0.01 . 1 . . . . . . . . 6272 1 1138 . 1 1 100 100 THR HA H 1 5.09 0.01 . 1 . . . . . . . . 6272 1 1139 . 1 1 100 100 THR HB H 1 3.85 0.01 . 1 . . . . . . . . 6272 1 1140 . 1 1 100 100 THR HG21 H 1 1.10 0.01 . 1 . . . . . . . . 6272 1 1141 . 1 1 100 100 THR HG22 H 1 1.10 0.01 . 1 . . . . . . . . 6272 1 1142 . 1 1 100 100 THR HG23 H 1 1.10 0.01 . 1 . . . . . . . . 6272 1 1143 . 1 1 100 100 THR C C 13 173.38 0.05 . 1 . . . . . . . . 6272 1 1144 . 1 1 100 100 THR CA C 13 62.73 0.05 . 1 . . . . . . . . 6272 1 1145 . 1 1 100 100 THR CB C 13 70.35 0.05 . 1 . . . . . . . . 6272 1 1146 . 1 1 100 100 THR CG2 C 13 23.05 0.05 . 1 . . . . . . . . 6272 1 1147 . 1 1 100 100 THR N N 15 120.63 0.05 . 1 . . . . . . . . 6272 1 1148 . 1 1 101 101 ALA H H 1 8.74 0.01 . 1 . . . . . . . . 6272 1 1149 . 1 1 101 101 ALA HA H 1 4.60 0.01 . 1 . . . . . . . . 6272 1 1150 . 1 1 101 101 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 6272 1 1151 . 1 1 101 101 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 6272 1 1152 . 1 1 101 101 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 6272 1 1153 . 1 1 101 101 ALA C C 13 177.40 0.05 . 1 . . . . . . . . 6272 1 1154 . 1 1 101 101 ALA CA C 13 49.59 0.05 . 1 . . . . . . . . 6272 1 1155 . 1 1 101 101 ALA CB C 13 23.35 0.05 . 1 . . . . . . . . 6272 1 1156 . 1 1 101 101 ALA N N 15 126.42 0.05 . 1 . . . . . . . . 6272 1 1157 . 1 1 102 102 VAL H H 1 8.50 0.01 . 1 . . . . . . . . 6272 1 1158 . 1 1 102 102 VAL HA H 1 4.87 0.01 . 1 . . . . . . . . 6272 1 1159 . 1 1 102 102 VAL HB H 1 1.87 0.01 . 1 . . . . . . . . 6272 1 1160 . 1 1 102 102 VAL HG11 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 1161 . 1 1 102 102 VAL HG12 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 1162 . 1 1 102 102 VAL HG13 H 1 0.86 0.01 . 1 . . . . . . . . 6272 1 1163 . 1 1 102 102 VAL HG21 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 1164 . 1 1 102 102 VAL HG22 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 1165 . 1 1 102 102 VAL HG23 H 1 0.79 0.01 . 1 . . . . . . . . 6272 1 1166 . 1 1 102 102 VAL C C 13 175.19 0.05 . 1 . . . . . . . . 6272 1 1167 . 1 1 102 102 VAL CA C 13 62.26 0.05 . 1 . . . . . . . . 6272 1 1168 . 1 1 102 102 VAL CB C 13 32.84 0.05 . 1 . . . . . . . . 6272 1 1169 . 1 1 102 102 VAL CG1 C 13 21.97 0.05 . 1 . . . . . . . . 6272 1 1170 . 1 1 102 102 VAL N N 15 118.70 0.05 . 1 . . . . . . . . 6272 1 1171 . 1 1 103 103 VAL H H 1 8.77 0.01 . 1 . . . . . . . . 6272 1 1172 . 1 1 103 103 VAL HA H 1 5.30 0.01 . 1 . . . . . . . . 6272 1 1173 . 1 1 103 103 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 6272 1 1174 . 1 1 103 103 VAL HG11 H 1 0.96 0.01 . 1 . . . . . . . . 6272 1 1175 . 1 1 103 103 VAL HG12 H 1 0.96 0.01 . 1 . . . . . . . . 6272 1 1176 . 1 1 103 103 VAL HG13 H 1 0.96 0.01 . 1 . . . . . . . . 6272 1 1177 . 1 1 103 103 VAL HG21 H 1 0.82 0.01 . 1 . . . . . . . . 6272 1 1178 . 1 1 103 103 VAL HG22 H 1 0.82 0.01 . 1 . . . . . . . . 6272 1 1179 . 1 1 103 103 VAL HG23 H 1 0.82 0.01 . 1 . . . . . . . . 6272 1 1180 . 1 1 103 103 VAL C C 13 174.15 0.05 . 1 . . . . . . . . 6272 1 1181 . 1 1 103 103 VAL CA C 13 59.29 0.05 . 1 . . . . . . . . 6272 1 1182 . 1 1 103 103 VAL CB C 13 34.83 0.05 . 1 . . . . . . . . 6272 1 1183 . 1 1 103 103 VAL CG1 C 13 21.56 0.05 . 1 . . . . . . . . 6272 1 1184 . 1 1 103 103 VAL CG2 C 13 20.03 0.05 . 1 . . . . . . . . 6272 1 1185 . 1 1 103 103 VAL N N 15 124.97 0.05 . 1 . . . . . . . . 6272 1 1186 . 1 1 104 104 GLU H H 1 9.43 0.01 . 1 . . . . . . . . 6272 1 1187 . 1 1 104 104 GLU HA H 1 4.66 0.01 . 1 . . . . . . . . 6272 1 1188 . 1 1 104 104 GLU HB2 H 1 1.76 0.01 . 1 . . . . . . . . 6272 1 1189 . 1 1 104 104 GLU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 6272 1 1190 . 1 1 104 104 GLU HG2 H 1 2.00 0.01 . 1 . . . . . . . . 6272 1 1191 . 1 1 104 104 GLU HG3 H 1 2.00 0.01 . 1 . . . . . . . . 6272 1 1192 . 1 1 104 104 GLU C C 13 174.85 0.05 . 1 . . . . . . . . 6272 1 1193 . 1 1 104 104 GLU CA C 13 53.79 0.05 . 1 . . . . . . . . 6272 1 1194 . 1 1 104 104 GLU CB C 13 33.84 0.05 . 1 . . . . . . . . 6272 1 1195 . 1 1 104 104 GLU CG C 13 36.07 0.05 . 1 . . . . . . . . 6272 1 1196 . 1 1 104 104 GLU N N 15 126.90 0.05 . 1 . . . . . . . . 6272 1 1197 . 1 1 105 105 LEU H H 1 9.24 0.01 . 1 . . . . . . . . 6272 1 1198 . 1 1 105 105 LEU HA H 1 5.32 0.01 . 1 . . . . . . . . 6272 1 1199 . 1 1 105 105 LEU HB2 H 1 1.66 0.01 . 1 . . . . . . . . 6272 1 1200 . 1 1 105 105 LEU HB3 H 1 1.66 0.01 . 1 . . . . . . . . 6272 1 1201 . 1 1 105 105 LEU HG H 1 1.16 0.01 . 1 . . . . . . . . 6272 1 1202 . 1 1 105 105 LEU HD11 H 1 0.70 0.01 . 1 . . . . . . . . 6272 1 1203 . 1 1 105 105 LEU HD12 H 1 0.70 0.01 . 1 . . . . . . . . 6272 1 1204 . 1 1 105 105 LEU HD13 H 1 0.70 0.01 . 1 . . . . . . . . 6272 1 1205 . 1 1 105 105 LEU HD21 H 1 0.70 0.01 . 1 . . . . . . . . 6272 1 1206 . 1 1 105 105 LEU HD22 H 1 0.70 0.01 . 1 . . . . . . . . 6272 1 1207 . 1 1 105 105 LEU HD23 H 1 0.70 0.01 . 1 . . . . . . . . 6272 1 1208 . 1 1 105 105 LEU CA C 13 52.62 0.05 . 1 . . . . . . . . 6272 1 1209 . 1 1 105 105 LEU CB C 13 43.38 0.05 . 1 . . . . . . . . 6272 1 1210 . 1 1 105 105 LEU N N 15 126.42 0.05 . 1 . . . . . . . . 6272 1 1211 . 1 1 106 106 PRO HA H 1 5.04 0.01 . 1 . . . . . . . . 6272 1 1212 . 1 1 106 106 PRO HB2 H 1 2.34 0.01 . 1 . . . . . . . . 6272 1 1213 . 1 1 106 106 PRO HB3 H 1 2.07 0.01 . 1 . . . . . . . . 6272 1 1214 . 1 1 106 106 PRO HG2 H 1 1.69 0.01 . 2 . . . . . . . . 6272 1 1215 . 1 1 106 106 PRO HG3 H 1 1.46 0.01 . 2 . . . . . . . . 6272 1 1216 . 1 1 106 106 PRO HD2 H 1 3.65 0.01 . 1 . . . . . . . . 6272 1 1217 . 1 1 106 106 PRO HD3 H 1 3.63 0.01 . 1 . . . . . . . . 6272 1 1218 . 1 1 106 106 PRO C C 13 176.27 0.05 . 1 . . . . . . . . 6272 1 1219 . 1 1 106 106 PRO CA C 13 62.15 0.05 . 1 . . . . . . . . 6272 1 1220 . 1 1 106 106 PRO CB C 13 31.83 0.05 . 1 . . . . . . . . 6272 1 1221 . 1 1 106 106 PRO CG C 13 27.25 0.05 . 1 . . . . . . . . 6272 1 1222 . 1 1 107 107 VAL H H 1 8.43 0.01 . 1 . . . . . . . . 6272 1 1223 . 1 1 107 107 VAL HA H 1 4.60 0.01 . 1 . . . . . . . . 6272 1 1224 . 1 1 107 107 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 6272 1 1225 . 1 1 107 107 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 6272 1 1226 . 1 1 107 107 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 6272 1 1227 . 1 1 107 107 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 6272 1 1228 . 1 1 107 107 VAL HG21 H 1 0.53 0.01 . 1 . . . . . . . . 6272 1 1229 . 1 1 107 107 VAL HG22 H 1 0.53 0.01 . 1 . . . . . . . . 6272 1 1230 . 1 1 107 107 VAL HG23 H 1 0.53 0.01 . 1 . . . . . . . . 6272 1 1231 . 1 1 107 107 VAL C C 13 175.21 0.05 . 1 . . . . . . . . 6272 1 1232 . 1 1 107 107 VAL CA C 13 58.65 0.05 . 1 . . . . . . . . 6272 1 1233 . 1 1 107 107 VAL CB C 13 36.35 0.05 . 1 . . . . . . . . 6272 1 1234 . 1 1 107 107 VAL CG1 C 13 21.06 0.05 . 1 . . . . . . . . 6272 1 1235 . 1 1 107 107 VAL CG2 C 13 20.22 0.05 . 1 . . . . . . . . 6272 1 1236 . 1 1 107 107 VAL N N 15 114.37 0.05 . 1 . . . . . . . . 6272 1 1237 . 1 1 108 108 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 6272 1 1238 . 1 1 108 108 ASP HA H 1 4.34 0.01 . 1 . . . . . . . . 6272 1 1239 . 1 1 108 108 ASP HB2 H 1 3.02 0.01 . 1 . . . . . . . . 6272 1 1240 . 1 1 108 108 ASP HB3 H 1 2.88 0.01 . 1 . . . . . . . . 6272 1 1241 . 1 1 108 108 ASP CA C 13 52.78 0.05 . 1 . . . . . . . . 6272 1 1242 . 1 1 108 108 ASP CB C 13 41.41 0.05 . 1 . . . . . . . . 6272 1 1243 . 1 1 108 108 ASP N N 15 123.52 0.05 . 1 . . . . . . . . 6272 1 1244 . 1 1 109 109 PRO HA H 1 4.16 0.01 . 1 . . . . . . . . 6272 1 1245 . 1 1 109 109 PRO HB2 H 1 2.47 0.01 . 1 . . . . . . . . 6272 1 1246 . 1 1 109 109 PRO HB3 H 1 2.21 0.01 . 1 . . . . . . . . 6272 1 1247 . 1 1 109 109 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 6272 1 1248 . 1 1 109 109 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 6272 1 1249 . 1 1 109 109 PRO HD2 H 1 3.86 0.01 . 2 . . . . . . . . 6272 1 1250 . 1 1 109 109 PRO HD3 H 1 3.64 0.01 . 2 . . . . . . . . 6272 1 1251 . 1 1 109 109 PRO C C 13 177.09 0.05 . 1 . . . . . . . . 6272 1 1252 . 1 1 109 109 PRO CA C 13 65.89 0.05 . 1 . . . . . . . . 6272 1 1253 . 1 1 109 109 PRO CB C 13 32.00 0.05 . 1 . . . . . . . . 6272 1 1254 . 1 1 109 109 PRO CG C 13 27.70 0.05 . 1 . . . . . . . . 6272 1 1255 . 1 1 110 110 GLU H H 1 9.23 0.01 . 1 . . . . . . . . 6272 1 1256 . 1 1 110 110 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 6272 1 1257 . 1 1 110 110 GLU HB2 H 1 2.03 0.01 . 1 . . . . . . . . 6272 1 1258 . 1 1 110 110 GLU HB3 H 1 1.96 0.01 . 1 . . . . . . . . 6272 1 1259 . 1 1 110 110 GLU HG2 H 1 2.38 0.01 . 1 . . . . . . . . 6272 1 1260 . 1 1 110 110 GLU HG3 H 1 2.38 0.01 . 1 . . . . . . . . 6272 1 1261 . 1 1 110 110 GLU C C 13 179.19 0.05 . 1 . . . . . . . . 6272 1 1262 . 1 1 110 110 GLU CA C 13 59.67 0.05 . 1 . . . . . . . . 6272 1 1263 . 1 1 110 110 GLU CB C 13 29.00 0.05 . 1 . . . . . . . . 6272 1 1264 . 1 1 110 110 GLU CG C 13 36.88 0.05 . 1 . . . . . . . . 6272 1 1265 . 1 1 110 110 GLU N N 15 117.74 0.05 . 1 . . . . . . . . 6272 1 1266 . 1 1 111 111 GLU H H 1 8.02 0.01 . 1 . . . . . . . . 6272 1 1267 . 1 1 111 111 GLU HA H 1 4.35 0.01 . 1 . . . . . . . . 6272 1 1268 . 1 1 111 111 GLU HB2 H 1 2.03 0.01 . 1 . . . . . . . . 6272 1 1269 . 1 1 111 111 GLU HB3 H 1 2.03 0.01 . 1 . . . . . . . . 6272 1 1270 . 1 1 111 111 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 6272 1 1271 . 1 1 111 111 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 6272 1 1272 . 1 1 111 111 GLU C C 13 179.56 0.05 . 1 . . . . . . . . 6272 1 1273 . 1 1 111 111 GLU CA C 13 57.79 0.05 . 1 . . . . . . . . 6272 1 1274 . 1 1 111 111 GLU CB C 13 28.87 0.05 . 1 . . . . . . . . 6272 1 1275 . 1 1 111 111 GLU CG C 13 35.08 0.05 . 1 . . . . . . . . 6272 1 1276 . 1 1 111 111 GLU N N 15 118.70 0.05 . 1 . . . . . . . . 6272 1 1277 . 1 1 112 112 ILE H H 1 7.14 0.01 . 1 . . . . . . . . 6272 1 1278 . 1 1 112 112 ILE HA H 1 3.52 0.01 . 1 . . . . . . . . 6272 1 1279 . 1 1 112 112 ILE HB H 1 1.11 0.01 . 1 . . . . . . . . 6272 1 1280 . 1 1 112 112 ILE HG12 H 1 1.63 0.01 . 1 . . . . . . . . 6272 1 1281 . 1 1 112 112 ILE HG13 H 1 1.58 0.01 . 1 . . . . . . . . 6272 1 1282 . 1 1 112 112 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 6272 1 1283 . 1 1 112 112 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 6272 1 1284 . 1 1 112 112 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 6272 1 1285 . 1 1 112 112 ILE HD11 H 1 0.71 0.01 . 1 . . . . . . . . 6272 1 1286 . 1 1 112 112 ILE HD12 H 1 0.71 0.01 . 1 . . . . . . . . 6272 1 1287 . 1 1 112 112 ILE HD13 H 1 0.71 0.01 . 1 . . . . . . . . 6272 1 1288 . 1 1 112 112 ILE C C 13 178.41 0.05 . 1 . . . . . . . . 6272 1 1289 . 1 1 112 112 ILE CA C 13 65.87 0.05 . 1 . . . . . . . . 6272 1 1290 . 1 1 112 112 ILE CB C 13 37.01 0.05 . 1 . . . . . . . . 6272 1 1291 . 1 1 112 112 ILE CG1 C 13 27.19 0.05 . 1 . . . . . . . . 6272 1 1292 . 1 1 112 112 ILE CG2 C 13 17.18 0.05 . 1 . . . . . . . . 6272 1 1293 . 1 1 112 112 ILE N N 15 119.19 0.05 . 1 . . . . . . . . 6272 1 1294 . 1 1 113 113 GLU H H 1 7.61 0.01 . 1 . . . . . . . . 6272 1 1295 . 1 1 113 113 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 6272 1 1296 . 1 1 113 113 GLU HB2 H 1 2.25 0.01 . 1 . . . . . . . . 6272 1 1297 . 1 1 113 113 GLU HB3 H 1 2.25 0.01 . 1 . . . . . . . . 6272 1 1298 . 1 1 113 113 GLU HG2 H 1 2.44 0.01 . 1 . . . . . . . . 6272 1 1299 . 1 1 113 113 GLU HG3 H 1 2.44 0.01 . 1 . . . . . . . . 6272 1 1300 . 1 1 113 113 GLU C C 13 179.00 0.05 . 1 . . . . . . . . 6272 1 1301 . 1 1 113 113 GLU CA C 13 59.84 0.05 . 1 . . . . . . . . 6272 1 1302 . 1 1 113 113 GLU CB C 13 29.09 0.05 . 1 . . . . . . . . 6272 1 1303 . 1 1 113 113 GLU CG C 13 36.25 0.05 . 1 . . . . . . . . 6272 1 1304 . 1 1 113 113 GLU N N 15 117.74 0.05 . 1 . . . . . . . . 6272 1 1305 . 1 1 114 114 ARG H H 1 7.50 0.01 . 1 . . . . . . . . 6272 1 1306 . 1 1 114 114 ARG HA H 1 4.06 0.01 . 1 . . . . . . . . 6272 1 1307 . 1 1 114 114 ARG HB2 H 1 2.07 0.01 . 1 . . . . . . . . 6272 1 1308 . 1 1 114 114 ARG HB3 H 1 2.07 0.01 . 1 . . . . . . . . 6272 1 1309 . 1 1 114 114 ARG HG2 H 1 1.82 0.01 . 1 . . . . . . . . 6272 1 1310 . 1 1 114 114 ARG HG3 H 1 1.82 0.01 . 1 . . . . . . . . 6272 1 1311 . 1 1 114 114 ARG HD2 H 1 3.32 0.01 . 1 . . . . . . . . 6272 1 1312 . 1 1 114 114 ARG HD3 H 1 3.32 0.01 . 1 . . . . . . . . 6272 1 1313 . 1 1 114 114 ARG C C 13 179.35 0.05 . 1 . . . . . . . . 6272 1 1314 . 1 1 114 114 ARG CA C 13 59.43 0.05 . 1 . . . . . . . . 6272 1 1315 . 1 1 114 114 ARG CB C 13 30.38 0.05 . 1 . . . . . . . . 6272 1 1316 . 1 1 114 114 ARG CG C 13 27.78 0.05 . 1 . . . . . . . . 6272 1 1317 . 1 1 114 114 ARG CD C 13 44.98 0.05 . 1 . . . . . . . . 6272 1 1318 . 1 1 114 114 ARG N N 15 117.74 0.05 . 1 . . . . . . . . 6272 1 1319 . 1 1 115 115 ILE H H 1 7.86 0.01 . 1 . . . . . . . . 6272 1 1320 . 1 1 115 115 ILE HA H 1 4.07 0.01 . 1 . . . . . . . . 6272 1 1321 . 1 1 115 115 ILE HB H 1 1.95 0.01 . 1 . . . . . . . . 6272 1 1322 . 1 1 115 115 ILE HG12 H 1 1.27 0.01 . 1 . . . . . . . . 6272 1 1323 . 1 1 115 115 ILE HG13 H 1 1.27 0.01 . 1 . . . . . . . . 6272 1 1324 . 1 1 115 115 ILE HG21 H 1 0.95 0.01 . 1 . . . . . . . . 6272 1 1325 . 1 1 115 115 ILE HG22 H 1 0.95 0.01 . 1 . . . . . . . . 6272 1 1326 . 1 1 115 115 ILE HG23 H 1 0.95 0.01 . 1 . . . . . . . . 6272 1 1327 . 1 1 115 115 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 1328 . 1 1 115 115 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 1329 . 1 1 115 115 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 6272 1 1330 . 1 1 115 115 ILE C C 13 177.83 0.05 . 1 . . . . . . . . 6272 1 1331 . 1 1 115 115 ILE CA C 13 65.32 0.05 . 1 . . . . . . . . 6272 1 1332 . 1 1 115 115 ILE CB C 13 38.06 0.05 . 1 . . . . . . . . 6272 1 1333 . 1 1 115 115 ILE CG2 C 13 16.66 0.05 . 1 . . . . . . . . 6272 1 1334 . 1 1 115 115 ILE N N 15 121.11 0.05 . 1 . . . . . . . . 6272 1 1335 . 1 1 116 116 LEU H H 1 8.18 0.01 . 1 . . . . . . . . 6272 1 1336 . 1 1 116 116 LEU HA H 1 3.96 0.01 . 1 . . . . . . . . 6272 1 1337 . 1 1 116 116 LEU HB2 H 1 1.99 0.01 . 1 . . . . . . . . 6272 1 1338 . 1 1 116 116 LEU HB3 H 1 1.87 0.01 . 1 . . . . . . . . 6272 1 1339 . 1 1 116 116 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 6272 1 1340 . 1 1 116 116 LEU HD11 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 1341 . 1 1 116 116 LEU HD12 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 1342 . 1 1 116 116 LEU HD13 H 1 0.83 0.01 . 1 . . . . . . . . 6272 1 1343 . 1 1 116 116 LEU HD21 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 1344 . 1 1 116 116 LEU HD22 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 1345 . 1 1 116 116 LEU HD23 H 1 0.76 0.01 . 1 . . . . . . . . 6272 1 1346 . 1 1 116 116 LEU C C 13 177.84 0.05 . 1 . . . . . . . . 6272 1 1347 . 1 1 116 116 LEU CA C 13 57.51 0.05 . 1 . . . . . . . . 6272 1 1348 . 1 1 116 116 LEU CB C 13 40.90 0.05 . 1 . . . . . . . . 6272 1 1349 . 1 1 116 116 LEU CG C 13 25.82 0.05 . 1 . . . . . . . . 6272 1 1350 . 1 1 116 116 LEU CD1 C 13 22.78 0.05 . 1 . . . . . . . . 6272 1 1351 . 1 1 116 116 LEU N N 15 117.26 0.05 . 1 . . . . . . . . 6272 1 1352 . 1 1 117 117 GLU H H 1 7.65 0.01 . 1 . . . . . . . . 6272 1 1353 . 1 1 117 117 GLU HA H 1 4.21 0.01 . 1 . . . . . . . . 6272 1 1354 . 1 1 117 117 GLU HB2 H 1 2.58 0.01 . 1 . . . . . . . . 6272 1 1355 . 1 1 117 117 GLU HB3 H 1 2.38 0.01 . 1 . . . . . . . . 6272 1 1356 . 1 1 117 117 GLU HG2 H 1 2.83 0.01 . 1 . . . . . . . . 6272 1 1357 . 1 1 117 117 GLU HG3 H 1 2.83 0.01 . 1 . . . . . . . . 6272 1 1358 . 1 1 117 117 GLU C C 13 178.30 0.05 . 1 . . . . . . . . 6272 1 1359 . 1 1 117 117 GLU CA C 13 58.71 0.05 . 1 . . . . . . . . 6272 1 1360 . 1 1 117 117 GLU CB C 13 29.97 0.05 . 1 . . . . . . . . 6272 1 1361 . 1 1 117 117 GLU CG C 13 36.50 0.05 . 1 . . . . . . . . 6272 1 1362 . 1 1 117 117 GLU N N 15 116.78 0.05 . 1 . . . . . . . . 6272 1 1363 . 1 1 118 118 VAL H H 1 7.44 0.01 . 1 . . . . . . . . 6272 1 1364 . 1 1 118 118 VAL HA H 1 4.56 0.01 . 1 . . . . . . . . 6272 1 1365 . 1 1 118 118 VAL HB H 1 2.00 0.01 . 1 . . . . . . . . 6272 1 1366 . 1 1 118 118 VAL HG11 H 1 1.07 0.01 . 1 . . . . . . . . 6272 1 1367 . 1 1 118 118 VAL HG12 H 1 1.07 0.01 . 1 . . . . . . . . 6272 1 1368 . 1 1 118 118 VAL HG13 H 1 1.07 0.01 . 1 . . . . . . . . 6272 1 1369 . 1 1 118 118 VAL HG21 H 1 0.84 0.01 . 1 . . . . . . . . 6272 1 1370 . 1 1 118 118 VAL HG22 H 1 0.84 0.01 . 1 . . . . . . . . 6272 1 1371 . 1 1 118 118 VAL HG23 H 1 0.84 0.01 . 1 . . . . . . . . 6272 1 1372 . 1 1 118 118 VAL C C 13 176.17 0.05 . 1 . . . . . . . . 6272 1 1373 . 1 1 118 118 VAL CA C 13 61.23 0.05 . 1 . . . . . . . . 6272 1 1374 . 1 1 118 118 VAL CB C 13 32.14 0.05 . 1 . . . . . . . . 6272 1 1375 . 1 1 118 118 VAL CG1 C 13 21.15 0.05 . 1 . . . . . . . . 6272 1 1376 . 1 1 118 118 VAL CG2 C 13 19.03 0.05 . 1 . . . . . . . . 6272 1 1377 . 1 1 118 118 VAL N N 15 111.47 0.05 . 1 . . . . . . . . 6272 1 1378 . 1 1 119 119 ALA H H 1 7.54 0.01 . 1 . . . . . . . . 6272 1 1379 . 1 1 119 119 ALA HA H 1 4.60 0.01 . 1 . . . . . . . . 6272 1 1380 . 1 1 119 119 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 6272 1 1381 . 1 1 119 119 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 6272 1 1382 . 1 1 119 119 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 6272 1 1383 . 1 1 119 119 ALA C C 13 176.89 0.05 . 1 . . . . . . . . 6272 1 1384 . 1 1 119 119 ALA CA C 13 52.06 0.05 . 1 . . . . . . . . 6272 1 1385 . 1 1 119 119 ALA CB C 13 20.19 0.05 . 1 . . . . . . . . 6272 1 1386 . 1 1 119 119 ALA N N 15 124.01 0.05 . 1 . . . . . . . . 6272 1 1387 . 1 1 120 120 GLU H H 1 8.88 0.01 . 1 . . . . . . . . 6272 1 1388 . 1 1 120 120 GLU HA H 1 4.76 0.01 . 1 . . . . . . . . 6272 1 1389 . 1 1 120 120 GLU HB2 H 1 2.73 0.01 . 1 . . . . . . . . 6272 1 1390 . 1 1 120 120 GLU HB3 H 1 2.73 0.01 . 1 . . . . . . . . 6272 1 1391 . 1 1 120 120 GLU HG2 H 1 3.06 0.01 . 1 . . . . . . . . 6272 1 1392 . 1 1 120 120 GLU HG3 H 1 3.06 0.01 . 1 . . . . . . . . 6272 1 1393 . 1 1 120 120 GLU CA C 13 53.97 0.05 . 1 . . . . . . . . 6272 1 1394 . 1 1 120 120 GLU CB C 13 30.40 0.05 . 1 . . . . . . . . 6272 1 1395 . 1 1 120 120 GLU N N 15 121.11 0.05 . 1 . . . . . . . . 6272 1 1396 . 1 1 121 121 PRO HA H 1 4.52 0.01 . 1 . . . . . . . . 6272 1 1397 . 1 1 121 121 PRO HB2 H 1 2.15 0.01 . 1 . . . . . . . . 6272 1 1398 . 1 1 121 121 PRO HB3 H 1 2.15 0.01 . 1 . . . . . . . . 6272 1 1399 . 1 1 121 121 PRO HG2 H 1 1.90 0.01 . 1 . . . . . . . . 6272 1 1400 . 1 1 121 121 PRO HG3 H 1 1.90 0.01 . 1 . . . . . . . . 6272 1 1401 . 1 1 121 121 PRO HD2 H 1 3.77 0.01 . 1 . . . . . . . . 6272 1 1402 . 1 1 121 121 PRO HD3 H 1 3.34 0.01 . 1 . . . . . . . . 6272 1 stop_ save_