data_6211 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6211 _Entry.Title ; Chemical Shift Assignments for Carnobacteriocin B2 immunity protein ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-05-23 _Entry.Accession_date 2004-05-24 _Entry.Last_release_date 2004-11-12 _Entry.Original_release_date 2004-11-12 _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 Tara Sprules . . . 6211 2 Karen Kawulka . E. . 6211 3 John Vederas . C. . 6211 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6211 coupling_constants 1 6211 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 748 6211 '13C chemical shifts' 470 6211 '15N chemical shifts' 112 6211 'coupling constants' 71 6211 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 . . 2004-11-12 2004-05-23 original author . 6211 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6211 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15362858 _Citation.Full_citation . _Citation.Title ; NMR Solution Structure of ImB2, a Protein Conferring Immunity to Antimicrobial Activity of the Type IIa Bacteriocin, Carnobacteriocin B2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 37 _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 11740 _Citation.Page_last 11749 _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 Tara Sprules . . . 6211 1 2 Karen Kawulka . E. . 6211 1 3 John Vederas . C. . 6211 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'immunity protein' 6211 1 bacteriocin 6211 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6211 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F., Grzesiek, S., Vuister, G. W., Zhu, G., Pfeifer, J. & Bax, A. (1995) NMRPipe: a multidimensional spectral processing system based on UNIX pipes, J. Biomol. NMR. 6, 277-93. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F. Delaglio F. . . 6211 2 2 S. Grzesiek S. . . 6211 2 3 'G. W.' Vuister G. W. . 6211 2 4 G. Zhu G. . . 6211 2 5 J. Pfeifer J. . . 6211 2 6 A. Bax A. . . 6211 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 6211 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Johnson, B. A. & Blevins, R. A. (1994) NMR View - a Computer-Program for the Visualization and Analysis of NMR Data, J. Biomol. NMR. 4, 603-614. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_imB2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_imB2 _Assembly.Entry_ID 6211 _Assembly.ID 1 _Assembly.Name 'Carnobacteriocin B2 immunity protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6211 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 imB2 1 $imB2 . . . native . . . . . 6211 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1TDP . . . . . . 6211 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Carnobacteriocin B2 immunity protein' system 6211 1 imB2 abbreviation 6211 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'immunity protein' 6211 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_imB2 _Entity.Sf_category entity _Entity.Sf_framecode imB2 _Entity.Entry_ID 6211 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Carnobacteriocin B2 immunity protein' _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 ; MDIKSQTLYLNLSEAYKDPE VKANEFLSKLVVQCAGKLTA SNSENSYIEVISLLSRGISS YYLSHKRIIPSSMLTIYTQI QKDIKNGNIDTEKLRKYEIA KGLMSVPYIYF ; _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 111 _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 12666 _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 1TDP . "Nmr Solution Structure Of The Carnobacteriocin B2 Immunity Protein" . . . . . 100.00 111 100.00 100.00 1.48e-72 . . . . 6211 1 2 no GB AAA72432 . "carnobacteriocin B2 immunity protein [Carnobacterium maltaromaticum]" . . . . . 100.00 111 100.00 100.00 1.48e-72 . . . . 6211 1 3 no GB AAB18990 . "putative carnocin CP52 immunity protein [Carnobacterium maltaromaticum]" . . . . . 100.00 111 100.00 100.00 1.48e-72 . . . . 6211 1 4 no GB AAB81311 . "carnobacteriocin B2 immunity protein [Carnobacterium maltaromaticum]" . . . . . 100.00 111 100.00 100.00 1.48e-72 . . . . 6211 1 5 no SP P38582 . "RecName: Full=Putative carnobacteriocin-B2 immunity protein; AltName: Full=Carnocin-CP52 immunity protein [Carnobacterium malta" . . . . . 100.00 111 100.00 100.00 1.48e-72 . . . . 6211 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Carnobacteriocin B2 immunity protein' common 6211 1 imB2 abbreviation 6211 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6211 1 2 . ASP . 6211 1 3 . ILE . 6211 1 4 . LYS . 6211 1 5 . SER . 6211 1 6 . GLN . 6211 1 7 . THR . 6211 1 8 . LEU . 6211 1 9 . TYR . 6211 1 10 . LEU . 6211 1 11 . ASN . 6211 1 12 . LEU . 6211 1 13 . SER . 6211 1 14 . GLU . 6211 1 15 . ALA . 6211 1 16 . TYR . 6211 1 17 . LYS . 6211 1 18 . ASP . 6211 1 19 . PRO . 6211 1 20 . GLU . 6211 1 21 . VAL . 6211 1 22 . LYS . 6211 1 23 . ALA . 6211 1 24 . ASN . 6211 1 25 . GLU . 6211 1 26 . PHE . 6211 1 27 . LEU . 6211 1 28 . SER . 6211 1 29 . LYS . 6211 1 30 . LEU . 6211 1 31 . VAL . 6211 1 32 . VAL . 6211 1 33 . GLN . 6211 1 34 . CYS . 6211 1 35 . ALA . 6211 1 36 . GLY . 6211 1 37 . LYS . 6211 1 38 . LEU . 6211 1 39 . THR . 6211 1 40 . ALA . 6211 1 41 . SER . 6211 1 42 . ASN . 6211 1 43 . SER . 6211 1 44 . GLU . 6211 1 45 . ASN . 6211 1 46 . SER . 6211 1 47 . TYR . 6211 1 48 . ILE . 6211 1 49 . GLU . 6211 1 50 . VAL . 6211 1 51 . ILE . 6211 1 52 . SER . 6211 1 53 . LEU . 6211 1 54 . LEU . 6211 1 55 . SER . 6211 1 56 . ARG . 6211 1 57 . GLY . 6211 1 58 . ILE . 6211 1 59 . SER . 6211 1 60 . SER . 6211 1 61 . TYR . 6211 1 62 . TYR . 6211 1 63 . LEU . 6211 1 64 . SER . 6211 1 65 . HIS . 6211 1 66 . LYS . 6211 1 67 . ARG . 6211 1 68 . ILE . 6211 1 69 . ILE . 6211 1 70 . PRO . 6211 1 71 . SER . 6211 1 72 . SER . 6211 1 73 . MET . 6211 1 74 . LEU . 6211 1 75 . THR . 6211 1 76 . ILE . 6211 1 77 . TYR . 6211 1 78 . THR . 6211 1 79 . GLN . 6211 1 80 . ILE . 6211 1 81 . GLN . 6211 1 82 . LYS . 6211 1 83 . ASP . 6211 1 84 . ILE . 6211 1 85 . LYS . 6211 1 86 . ASN . 6211 1 87 . GLY . 6211 1 88 . ASN . 6211 1 89 . ILE . 6211 1 90 . ASP . 6211 1 91 . THR . 6211 1 92 . GLU . 6211 1 93 . LYS . 6211 1 94 . LEU . 6211 1 95 . ARG . 6211 1 96 . LYS . 6211 1 97 . TYR . 6211 1 98 . GLU . 6211 1 99 . ILE . 6211 1 100 . ALA . 6211 1 101 . LYS . 6211 1 102 . GLY . 6211 1 103 . LEU . 6211 1 104 . MET . 6211 1 105 . SER . 6211 1 106 . VAL . 6211 1 107 . PRO . 6211 1 108 . TYR . 6211 1 109 . ILE . 6211 1 110 . TYR . 6211 1 111 . PHE . 6211 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 6211 1 . ASP 2 2 6211 1 . ILE 3 3 6211 1 . LYS 4 4 6211 1 . SER 5 5 6211 1 . GLN 6 6 6211 1 . THR 7 7 6211 1 . LEU 8 8 6211 1 . TYR 9 9 6211 1 . LEU 10 10 6211 1 . ASN 11 11 6211 1 . LEU 12 12 6211 1 . SER 13 13 6211 1 . GLU 14 14 6211 1 . ALA 15 15 6211 1 . TYR 16 16 6211 1 . LYS 17 17 6211 1 . ASP 18 18 6211 1 . PRO 19 19 6211 1 . GLU 20 20 6211 1 . VAL 21 21 6211 1 . LYS 22 22 6211 1 . ALA 23 23 6211 1 . ASN 24 24 6211 1 . GLU 25 25 6211 1 . PHE 26 26 6211 1 . LEU 27 27 6211 1 . SER 28 28 6211 1 . LYS 29 29 6211 1 . LEU 30 30 6211 1 . VAL 31 31 6211 1 . VAL 32 32 6211 1 . GLN 33 33 6211 1 . CYS 34 34 6211 1 . ALA 35 35 6211 1 . GLY 36 36 6211 1 . LYS 37 37 6211 1 . LEU 38 38 6211 1 . THR 39 39 6211 1 . ALA 40 40 6211 1 . SER 41 41 6211 1 . ASN 42 42 6211 1 . SER 43 43 6211 1 . GLU 44 44 6211 1 . ASN 45 45 6211 1 . SER 46 46 6211 1 . TYR 47 47 6211 1 . ILE 48 48 6211 1 . GLU 49 49 6211 1 . VAL 50 50 6211 1 . ILE 51 51 6211 1 . SER 52 52 6211 1 . LEU 53 53 6211 1 . LEU 54 54 6211 1 . SER 55 55 6211 1 . ARG 56 56 6211 1 . GLY 57 57 6211 1 . ILE 58 58 6211 1 . SER 59 59 6211 1 . SER 60 60 6211 1 . TYR 61 61 6211 1 . TYR 62 62 6211 1 . LEU 63 63 6211 1 . SER 64 64 6211 1 . HIS 65 65 6211 1 . LYS 66 66 6211 1 . ARG 67 67 6211 1 . ILE 68 68 6211 1 . ILE 69 69 6211 1 . PRO 70 70 6211 1 . SER 71 71 6211 1 . SER 72 72 6211 1 . MET 73 73 6211 1 . LEU 74 74 6211 1 . THR 75 75 6211 1 . ILE 76 76 6211 1 . TYR 77 77 6211 1 . THR 78 78 6211 1 . GLN 79 79 6211 1 . ILE 80 80 6211 1 . GLN 81 81 6211 1 . LYS 82 82 6211 1 . ASP 83 83 6211 1 . ILE 84 84 6211 1 . LYS 85 85 6211 1 . ASN 86 86 6211 1 . GLY 87 87 6211 1 . ASN 88 88 6211 1 . ILE 89 89 6211 1 . ASP 90 90 6211 1 . THR 91 91 6211 1 . GLU 92 92 6211 1 . LYS 93 93 6211 1 . LEU 94 94 6211 1 . ARG 95 95 6211 1 . LYS 96 96 6211 1 . TYR 97 97 6211 1 . GLU 98 98 6211 1 . ILE 99 99 6211 1 . ALA 100 100 6211 1 . LYS 101 101 6211 1 . GLY 102 102 6211 1 . LEU 103 103 6211 1 . MET 104 104 6211 1 . SER 105 105 6211 1 . VAL 106 106 6211 1 . PRO 107 107 6211 1 . TYR 108 108 6211 1 . ILE 109 109 6211 1 . TYR 110 110 6211 1 . PHE 111 111 6211 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 6211 _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 $imB2 . 2751 organism . 'Carnobacterium piscicola' 'Carnobacterium maltaromaticum' . . Eubacteria . Carnobacterium piscicola . . . . . . . . . . . . . . . . CBIB2 . . . . 6211 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 6211 _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 $imB2 . 'recombinant technology' 'Esherichia coli' 'E. coli' . . Esherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pMAL-c . . . . . . 6211 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6211 _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 'Carnobacteriocin B2 immunity protein' [U-15N] . . 1 $imB2 . . 0.8 . . mM . . . . 6211 1 2 DSS . . . . . . . 0.025 . . mM . . . . 6211 1 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6211 1 4 'sodium chloride' . . . . . . . 25 . . mM . . . . 6211 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6211 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Carnobacteriocin B2 immunity protein' '[U-13C; U-15N]' . . 1 $imB2 . . 0.8 . . mM . . . . 6211 2 2 DSS . . . . . . . 0.025 . . mM . . . . 6211 2 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6211 2 4 'sodium chloride' . . . . . . . 25 . . mM . . . . 6211 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6211 _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 6.6 0.1 n/a 6211 1 temperature 288 0.1 K 6211 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6211 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6211 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 6211 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6211 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6211 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 6211 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6211 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6211 _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 6211 _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 . 600 . . . 6211 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 6211 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 6211 _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 '15N-HSQC NOESY' . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 2 '15N-HSQC TOCSY' . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 3 '13C-HSQC NOESY' . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 4 '13C-HSQC TOCSY' . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 5 HNHA . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 6 13C-HSQC . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 7 HNCACB . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 8 HNCA . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 9 HNCO . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 10 CBCACONH . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 1 11 15N-HSQC . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6211 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 6211 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N-HSQC NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6211 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N-HSQC TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6211 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '13C-HSQC 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 6211 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '13C-HSQC 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6211 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6211 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6211 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6211 _NMR_spec_expt.ID 8 _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6211 _NMR_spec_expt.ID 9 _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6211 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CBCACONH _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 6211 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 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_ #################### # 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 6211 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6211 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6211 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6211 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_CbiB2_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CbiB2_shifts _Assigned_chem_shift_list.Entry_ID 6211 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6211 1 . . 2 $sample_2 . 6211 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.150 0.05 . 1 . . . . . . . . 6211 1 2 . 1 1 1 1 MET HA H 1 4.171 0.02 . 1 . . . . . . . . 6211 1 3 . 1 1 1 1 MET CB C 13 34.797 0.05 . 1 . . . . . . . . 6211 1 4 . 1 1 1 1 MET HB2 H 1 2.152 0.02 . 2 . . . . . . . . 6211 1 5 . 1 1 1 1 MET CG C 13 31.224 0.05 . 1 . . . . . . . . 6211 1 6 . 1 1 1 1 MET HG2 H 1 2.582 0.02 . 2 . . . . . . . . 6211 1 7 . 1 1 1 1 MET CE C 13 16.775 0.05 . 1 . . . . . . . . 6211 1 8 . 1 1 1 1 MET HE1 H 1 1.696 0.02 . 1 . . . . . . . . 6211 1 9 . 1 1 1 1 MET HE2 H 1 1.696 0.02 . 1 . . . . . . . . 6211 1 10 . 1 1 1 1 MET HE3 H 1 1.696 0.02 . 1 . . . . . . . . 6211 1 11 . 1 1 2 2 ASP CA C 13 53.285 0.05 . 1 . . . . . . . . 6211 1 12 . 1 1 2 2 ASP HA H 1 4.692 0.02 . 1 . . . . . . . . 6211 1 13 . 1 1 2 2 ASP CB C 13 41.178 0.05 . 1 . . . . . . . . 6211 1 14 . 1 1 2 2 ASP HB2 H 1 3.049 0.02 . 2 . . . . . . . . 6211 1 15 . 1 1 2 2 ASP HB3 H 1 2.776 0.02 . 2 . . . . . . . . 6211 1 16 . 1 1 2 2 ASP C C 13 175.910 0.05 . 1 . . . . . . . . 6211 1 17 . 1 1 3 3 ILE N N 15 120.548 0.05 . 1 . . . . . . . . 6211 1 18 . 1 1 3 3 ILE H H 1 8.407 0.02 . 1 . . . . . . . . 6211 1 19 . 1 1 3 3 ILE CA C 13 63.704 0.05 . 1 . . . . . . . . 6211 1 20 . 1 1 3 3 ILE HA H 1 4.003 0.02 . 1 . . . . . . . . 6211 1 21 . 1 1 3 3 ILE CB C 13 37.749 0.05 . 1 . . . . . . . . 6211 1 22 . 1 1 3 3 ILE HB H 1 1.918 0.02 . 1 . . . . . . . . 6211 1 23 . 1 1 3 3 ILE CG1 C 13 28.582 0.05 . 1 . . . . . . . . 6211 1 24 . 1 1 3 3 ILE HG12 H 1 1.521 0.02 . 2 . . . . . . . . 6211 1 25 . 1 1 3 3 ILE HG13 H 1 1.345 0.02 . 2 . . . . . . . . 6211 1 26 . 1 1 3 3 ILE CG2 C 13 17.413 0.05 . 1 . . . . . . . . 6211 1 27 . 1 1 3 3 ILE HG21 H 1 0.967 0.02 . 1 . . . . . . . . 6211 1 28 . 1 1 3 3 ILE HG22 H 1 0.967 0.02 . 1 . . . . . . . . 6211 1 29 . 1 1 3 3 ILE HG23 H 1 0.967 0.02 . 1 . . . . . . . . 6211 1 30 . 1 1 3 3 ILE CD1 C 13 12.891 0.05 . 1 . . . . . . . . 6211 1 31 . 1 1 3 3 ILE HD11 H 1 0.915 0.02 . 1 . . . . . . . . 6211 1 32 . 1 1 3 3 ILE HD12 H 1 0.915 0.02 . 1 . . . . . . . . 6211 1 33 . 1 1 3 3 ILE HD13 H 1 0.915 0.02 . 1 . . . . . . . . 6211 1 34 . 1 1 3 3 ILE C C 13 178.247 0.05 . 1 . . . . . . . . 6211 1 35 . 1 1 4 4 LYS N N 15 122.309 0.05 . 1 . . . . . . . . 6211 1 36 . 1 1 4 4 LYS H H 1 8.297 0.02 . 1 . . . . . . . . 6211 1 37 . 1 1 4 4 LYS CA C 13 59.189 0.05 . 1 . . . . . . . . 6211 1 38 . 1 1 4 4 LYS HA H 1 4.171 0.02 . 1 . . . . . . . . 6211 1 39 . 1 1 4 4 LYS CB C 13 30.758 0.05 . 1 . . . . . . . . 6211 1 40 . 1 1 4 4 LYS HB2 H 1 1.605 0.02 . 2 . . . . . . . . 6211 1 41 . 1 1 4 4 LYS HB3 H 1 1.488 0.02 . 2 . . . . . . . . 6211 1 42 . 1 1 4 4 LYS CG C 13 24.691 0.05 . 1 . . . . . . . . 6211 1 43 . 1 1 4 4 LYS HG2 H 1 1.326 0.02 . 2 . . . . . . . . 6211 1 44 . 1 1 4 4 LYS HG3 H 1 1.120 0.02 . 2 . . . . . . . . 6211 1 45 . 1 1 4 4 LYS CD C 13 29.049 0.05 . 1 . . . . . . . . 6211 1 46 . 1 1 4 4 LYS HD2 H 1 1.462 0.02 . 2 . . . . . . . . 6211 1 47 . 1 1 4 4 LYS HD3 H 1 1.358 0.02 . 2 . . . . . . . . 6211 1 48 . 1 1 4 4 LYS CE C 13 41.463 0.05 . 1 . . . . . . . . 6211 1 49 . 1 1 4 4 LYS HE2 H 1 2.780 0.02 . 2 . . . . . . . . 6211 1 50 . 1 1 4 4 LYS HE3 H 1 2.634 0.02 . 2 . . . . . . . . 6211 1 51 . 1 1 4 4 LYS C C 13 179.643 0.05 . 1 . . . . . . . . 6211 1 52 . 1 1 5 5 SER N N 15 118.521 0.05 . 1 . . . . . . . . 6211 1 53 . 1 1 5 5 SER H H 1 8.170 0.02 . 1 . . . . . . . . 6211 1 54 . 1 1 5 5 SER CA C 13 62.618 0.05 . 1 . . . . . . . . 6211 1 55 . 1 1 5 5 SER HA H 1 4.418 0.02 . 1 . . . . . . . . 6211 1 56 . 1 1 5 5 SER CB C 13 62.416 0.05 . 1 . . . . . . . . 6211 1 57 . 1 1 5 5 SER HB2 H 1 4.107 0.02 . 2 . . . . . . . . 6211 1 58 . 1 1 5 5 SER HB3 H 1 3.916 0.02 . 2 . . . . . . . . 6211 1 59 . 1 1 5 5 SER C C 13 175.218 0.05 . 1 . . . . . . . . 6211 1 60 . 1 1 6 6 GLN N N 15 122.860 0.05 . 1 . . . . . . . . 6211 1 61 . 1 1 6 6 GLN H H 1 8.733 0.02 . 1 . . . . . . . . 6211 1 62 . 1 1 6 6 GLN CA C 13 59.189 0.05 . 1 . . . . . . . . 6211 1 63 . 1 1 6 6 GLN HA H 1 4.223 0.02 . 1 . . . . . . . . 6211 1 64 . 1 1 6 6 GLN CB C 13 28.836 0.05 . 1 . . . . . . . . 6211 1 65 . 1 1 6 6 GLN HB2 H 1 2.190 0.02 . 2 . . . . . . . . 6211 1 66 . 1 1 6 6 GLN HB3 H 1 2.220 0.02 . 2 . . . . . . . . 6211 1 67 . 1 1 6 6 GLN CG C 13 33.865 0.05 . 1 . . . . . . . . 6211 1 68 . 1 1 6 6 GLN HG2 H 1 2.426 0.02 . 2 . . . . . . . . 6211 1 69 . 1 1 6 6 GLN NE2 N 15 111.397 0.05 . 1 . . . . . . . . 6211 1 70 . 1 1 6 6 GLN HE21 H 1 7.336 0.02 . 2 . . . . . . . . 6211 1 71 . 1 1 6 6 GLN HE22 H 1 6.943 0.02 . 2 . . . . . . . . 6211 1 72 . 1 1 6 6 GLN C C 13 178.356 0.05 . 1 . . . . . . . . 6211 1 73 . 1 1 7 7 THR N N 15 116.217 0.05 . 1 . . . . . . . . 6211 1 74 . 1 1 7 7 THR H H 1 8.488 0.02 . 1 . . . . . . . . 6211 1 75 . 1 1 7 7 THR CA C 13 66.645 0.05 . 1 . . . . . . . . 6211 1 76 . 1 1 7 7 THR HA H 1 3.980 0.02 . 1 . . . . . . . . 6211 1 77 . 1 1 7 7 THR CB C 13 68.778 0.05 . 1 . . . . . . . . 6211 1 78 . 1 1 7 7 THR HB H 1 4.277 0.02 . 1 . . . . . . . . 6211 1 79 . 1 1 7 7 THR CG2 C 13 21.281 0.05 . 1 . . . . . . . . 6211 1 80 . 1 1 7 7 THR HG21 H 1 1.293 0.02 . 1 . . . . . . . . 6211 1 81 . 1 1 7 7 THR HG22 H 1 1.293 0.02 . 1 . . . . . . . . 6211 1 82 . 1 1 7 7 THR HG23 H 1 1.293 0.02 . 1 . . . . . . . . 6211 1 83 . 1 1 7 7 THR C C 13 175.870 0.05 . 1 . . . . . . . . 6211 1 84 . 1 1 8 8 LEU N N 15 122.493 0.05 . 1 . . . . . . . . 6211 1 85 . 1 1 8 8 LEU H H 1 7.708 0.02 . 1 . . . . . . . . 6211 1 86 . 1 1 8 8 LEU CA C 13 57.791 0.05 . 1 . . . . . . . . 6211 1 87 . 1 1 8 8 LEU HA H 1 4.392 0.02 . 1 . . . . . . . . 6211 1 88 . 1 1 8 8 LEU CB C 13 41.193 0.05 . 1 . . . . . . . . 6211 1 89 . 1 1 8 8 LEU HB2 H 1 2.125 0.02 . 2 . . . . . . . . 6211 1 90 . 1 1 8 8 LEU HB3 H 1 1.905 0.02 . 2 . . . . . . . . 6211 1 91 . 1 1 8 8 LEU CG C 13 27.152 0.05 . 1 . . . . . . . . 6211 1 92 . 1 1 8 8 LEU HG H 1 1.590 0.02 . 1 . . . . . . . . 6211 1 93 . 1 1 8 8 LEU CD1 C 13 22.530 0.05 . 2 . . . . . . . . 6211 1 94 . 1 1 8 8 LEU HD11 H 1 1.005 0.02 . 2 . . . . . . . . 6211 1 95 . 1 1 8 8 LEU HD12 H 1 1.005 0.02 . 2 . . . . . . . . 6211 1 96 . 1 1 8 8 LEU HD13 H 1 1.005 0.02 . 2 . . . . . . . . 6211 1 97 . 1 1 8 8 LEU CD2 C 13 27.029 0.05 . 2 . . . . . . . . 6211 1 98 . 1 1 8 8 LEU HD21 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 99 . 1 1 8 8 LEU HD22 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 100 . 1 1 8 8 LEU HD23 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 101 . 1 1 8 8 LEU C C 13 178.054 0.05 . 1 . . . . . . . . 6211 1 102 . 1 1 9 9 TYR N N 15 120.542 0.05 . 1 . . . . . . . . 6211 1 103 . 1 1 9 9 TYR H H 1 9.070 0.02 . 1 . . . . . . . . 6211 1 104 . 1 1 9 9 TYR CA C 13 62.571 0.05 . 1 . . . . . . . . 6211 1 105 . 1 1 9 9 TYR HA H 1 3.944 0.02 . 1 . . . . . . . . 6211 1 106 . 1 1 9 9 TYR CB C 13 38.361 0.05 . 1 . . . . . . . . 6211 1 107 . 1 1 9 9 TYR HB2 H 1 3.282 0.02 . 2 . . . . . . . . 6211 1 108 . 1 1 9 9 TYR HB3 H 1 3.200 0.02 . 2 . . . . . . . . 6211 1 109 . 1 1 9 9 TYR CD1 C 13 132.832 0.05 . 3 . . . . . . . . 6211 1 110 . 1 1 9 9 TYR HD1 H 1 7.067 0.02 . 3 . . . . . . . . 6211 1 111 . 1 1 9 9 TYR CE1 C 13 117.980 0.05 . 3 . . . . . . . . 6211 1 112 . 1 1 9 9 TYR HE1 H 1 6.828 0.02 . 3 . . . . . . . . 6211 1 113 . 1 1 9 9 TYR C C 13 178.342 0.05 . 1 . . . . . . . . 6211 1 114 . 1 1 10 10 LEU N N 15 122.097 0.05 . 1 . . . . . . . . 6211 1 115 . 1 1 10 10 LEU H H 1 8.602 0.02 . 1 . . . . . . . . 6211 1 116 . 1 1 10 10 LEU CA C 13 57.979 0.05 . 1 . . . . . . . . 6211 1 117 . 1 1 10 10 LEU HA H 1 4.010 0.02 . 1 . . . . . . . . 6211 1 118 . 1 1 10 10 LEU CB C 13 41.012 0.05 . 1 . . . . . . . . 6211 1 119 . 1 1 10 10 LEU HB2 H 1 2.035 0.02 . 2 . . . . . . . . 6211 1 120 . 1 1 10 10 LEU HB3 H 1 1.775 0.02 . 2 . . . . . . . . 6211 1 121 . 1 1 10 10 LEU CG C 13 27.029 0.05 . 1 . . . . . . . . 6211 1 122 . 1 1 10 10 LEU HG H 1 1.957 0.02 . 1 . . . . . . . . 6211 1 123 . 1 1 10 10 LEU CD1 C 13 24.854 0.05 . 2 . . . . . . . . 6211 1 124 . 1 1 10 10 LEU HD11 H 1 1.019 0.02 . 2 . . . . . . . . 6211 1 125 . 1 1 10 10 LEU HD12 H 1 1.019 0.02 . 2 . . . . . . . . 6211 1 126 . 1 1 10 10 LEU HD13 H 1 1.019 0.02 . 2 . . . . . . . . 6211 1 127 . 1 1 10 10 LEU CD2 C 13 23.231 0.05 . 2 . . . . . . . . 6211 1 128 . 1 1 10 10 LEU HD21 H 1 1.023 0.02 . 2 . . . . . . . . 6211 1 129 . 1 1 10 10 LEU HD22 H 1 1.023 0.02 . 2 . . . . . . . . 6211 1 130 . 1 1 10 10 LEU HD23 H 1 1.023 0.02 . 2 . . . . . . . . 6211 1 131 . 1 1 10 10 LEU C C 13 179.770 0.05 . 1 . . . . . . . . 6211 1 132 . 1 1 11 11 ASN N N 15 119.100 0.05 . 1 . . . . . . . . 6211 1 133 . 1 1 11 11 ASN H H 1 8.206 0.02 . 1 . . . . . . . . 6211 1 134 . 1 1 11 11 ASN CA C 13 56.082 0.05 . 1 . . . . . . . . 6211 1 135 . 1 1 11 11 ASN HA H 1 4.613 0.02 . 1 . . . . . . . . 6211 1 136 . 1 1 11 11 ASN CB C 13 37.977 0.05 . 1 . . . . . . . . 6211 1 137 . 1 1 11 11 ASN HB2 H 1 2.971 0.02 . 2 . . . . . . . . 6211 1 138 . 1 1 11 11 ASN HB3 H 1 2.757 0.02 . 2 . . . . . . . . 6211 1 139 . 1 1 11 11 ASN ND2 N 15 110.528 0.05 . 1 . . . . . . . . 6211 1 140 . 1 1 11 11 ASN HD21 H 1 7.571 0.02 . 2 . . . . . . . . 6211 1 141 . 1 1 11 11 ASN HD22 H 1 6.974 0.02 . 2 . . . . . . . . 6211 1 142 . 1 1 11 11 ASN C C 13 179.450 0.05 . 1 . . . . . . . . 6211 1 143 . 1 1 12 12 LEU N N 15 123.228 0.05 . 1 . . . . . . . . 6211 1 144 . 1 1 12 12 LEU H H 1 8.999 0.02 . 1 . . . . . . . . 6211 1 145 . 1 1 12 12 LEU CA C 13 58.102 0.05 . 1 . . . . . . . . 6211 1 146 . 1 1 12 12 LEU HA H 1 4.014 0.02 . 1 . . . . . . . . 6211 1 147 . 1 1 12 12 LEU CB C 13 41.695 0.05 . 1 . . . . . . . . 6211 1 148 . 1 1 12 12 LEU HB2 H 1 2.012 0.02 . 2 . . . . . . . . 6211 1 149 . 1 1 12 12 LEU HB3 H 1 1.290 0.02 . 2 . . . . . . . . 6211 1 150 . 1 1 12 12 LEU CG C 13 26.916 0.05 . 1 . . . . . . . . 6211 1 151 . 1 1 12 12 LEU HG H 1 1.893 0.02 . 1 . . . . . . . . 6211 1 152 . 1 1 12 12 LEU CD1 C 13 26.563 0.05 . 2 . . . . . . . . 6211 1 153 . 1 1 12 12 LEU HD11 H 1 0.824 0.02 . 2 . . . . . . . . 6211 1 154 . 1 1 12 12 LEU HD12 H 1 0.824 0.02 . 2 . . . . . . . . 6211 1 155 . 1 1 12 12 LEU HD13 H 1 0.824 0.02 . 2 . . . . . . . . 6211 1 156 . 1 1 12 12 LEU CD2 C 13 23.471 0.05 . 2 . . . . . . . . 6211 1 157 . 1 1 12 12 LEU HD21 H 1 0.997 0.02 . 2 . . . . . . . . 6211 1 158 . 1 1 12 12 LEU HD22 H 1 0.997 0.02 . 2 . . . . . . . . 6211 1 159 . 1 1 12 12 LEU HD23 H 1 0.997 0.02 . 2 . . . . . . . . 6211 1 160 . 1 1 12 12 LEU C C 13 178.006 0.05 . 1 . . . . . . . . 6211 1 161 . 1 1 13 13 SER N N 15 116.076 0.05 . 1 . . . . . . . . 6211 1 162 . 1 1 13 13 SER H H 1 8.372 0.02 . 1 . . . . . . . . 6211 1 163 . 1 1 13 13 SER CA C 13 62.208 0.05 . 1 . . . . . . . . 6211 1 164 . 1 1 13 13 SER HA H 1 3.994 0.02 . 1 . . . . . . . . 6211 1 165 . 1 1 13 13 SER CB C 13 62.279 0.05 . 1 . . . . . . . . 6211 1 166 . 1 1 13 13 SER HB2 H 1 3.916 0.02 . 2 . . . . . . . . 6211 1 167 . 1 1 13 13 SER HB3 H 1 3.754 0.02 . 2 . . . . . . . . 6211 1 168 . 1 1 13 13 SER C C 13 176.988 0.05 . 1 . . . . . . . . 6211 1 169 . 1 1 14 14 GLU N N 15 120.771 0.05 . 1 . . . . . . . . 6211 1 170 . 1 1 14 14 GLU H H 1 8.017 0.02 . 1 . . . . . . . . 6211 1 171 . 1 1 14 14 GLU CA C 13 58.641 0.05 . 1 . . . . . . . . 6211 1 172 . 1 1 14 14 GLU HA H 1 4.134 0.02 . 1 . . . . . . . . 6211 1 173 . 1 1 14 14 GLU CB C 13 29.579 0.05 . 1 . . . . . . . . 6211 1 174 . 1 1 14 14 GLU HB2 H 1 2.133 0.02 . 2 . . . . . . . . 6211 1 175 . 1 1 14 14 GLU CG C 13 36.196 0.05 . 1 . . . . . . . . 6211 1 176 . 1 1 14 14 GLU HG2 H 1 2.432 0.02 . 2 . . . . . . . . 6211 1 177 . 1 1 14 14 GLU C C 13 179.755 0.05 . 1 . . . . . . . . 6211 1 178 . 1 1 15 15 ALA N N 15 123.850 0.05 . 1 . . . . . . . . 6211 1 179 . 1 1 15 15 ALA H H 1 7.995 0.02 . 1 . . . . . . . . 6211 1 180 . 1 1 15 15 ALA CA C 13 55.034 0.05 . 1 . . . . . . . . 6211 1 181 . 1 1 15 15 ALA HA H 1 4.230 0.02 . 1 . . . . . . . . 6211 1 182 . 1 1 15 15 ALA CB C 13 17.829 0.05 . 1 . . . . . . . . 6211 1 183 . 1 1 15 15 ALA HB1 H 1 1.561 0.02 . 1 . . . . . . . . 6211 1 184 . 1 1 15 15 ALA HB2 H 1 1.561 0.02 . 1 . . . . . . . . 6211 1 185 . 1 1 15 15 ALA HB3 H 1 1.561 0.02 . 1 . . . . . . . . 6211 1 186 . 1 1 15 15 ALA C C 13 178.757 0.05 . 1 . . . . . . . . 6211 1 187 . 1 1 16 16 TYR N N 15 114.917 0.05 . 1 . . . . . . . . 6211 1 188 . 1 1 16 16 TYR H H 1 8.037 0.02 . 1 . . . . . . . . 6211 1 189 . 1 1 16 16 TYR CA C 13 59.387 0.05 . 1 . . . . . . . . 6211 1 190 . 1 1 16 16 TYR HA H 1 4.111 0.02 . 1 . . . . . . . . 6211 1 191 . 1 1 16 16 TYR CB C 13 38.100 0.05 . 1 . . . . . . . . 6211 1 192 . 1 1 16 16 TYR HB2 H 1 3.110 0.02 . 2 . . . . . . . . 6211 1 193 . 1 1 16 16 TYR HB3 H 1 2.984 0.02 . 2 . . . . . . . . 6211 1 194 . 1 1 16 16 TYR CD1 C 13 132.506 0.05 . 3 . . . . . . . . 6211 1 195 . 1 1 16 16 TYR HD1 H 1 6.984 0.02 . 3 . . . . . . . . 6211 1 196 . 1 1 16 16 TYR CE1 C 13 118.027 0.05 . 3 . . . . . . . . 6211 1 197 . 1 1 16 16 TYR HE1 H 1 6.810 0.02 . 3 . . . . . . . . 6211 1 198 . 1 1 16 16 TYR C C 13 175.203 0.05 . 1 . . . . . . . . 6211 1 199 . 1 1 17 17 LYS N N 15 112.428 0.05 . 1 . . . . . . . . 6211 1 200 . 1 1 17 17 LYS H H 1 7.080 0.02 . 1 . . . . . . . . 6211 1 201 . 1 1 17 17 LYS CA C 13 56.703 0.05 . 1 . . . . . . . . 6211 1 202 . 1 1 17 17 LYS HA H 1 3.936 0.02 . 1 . . . . . . . . 6211 1 203 . 1 1 17 17 LYS CB C 13 33.104 0.05 . 1 . . . . . . . . 6211 1 204 . 1 1 17 17 LYS HB2 H 1 1.997 0.02 . 2 . . . . . . . . 6211 1 205 . 1 1 17 17 LYS HB3 H 1 1.905 0.02 . 2 . . . . . . . . 6211 1 206 . 1 1 17 17 LYS CG C 13 26.097 0.05 . 1 . . . . . . . . 6211 1 207 . 1 1 17 17 LYS HG2 H 1 1.749 0.02 . 2 . . . . . . . . 6211 1 208 . 1 1 17 17 LYS HG3 H 1 1.488 0.02 . 2 . . . . . . . . 6211 1 209 . 1 1 17 17 LYS CD C 13 29.349 0.05 . 1 . . . . . . . . 6211 1 210 . 1 1 17 17 LYS HD2 H 1 1.737 0.02 . 2 . . . . . . . . 6211 1 211 . 1 1 17 17 LYS CE C 13 41.861 0.05 . 1 . . . . . . . . 6211 1 212 . 1 1 17 17 LYS HE2 H 1 3.022 0.02 . 2 . . . . . . . . 6211 1 213 . 1 1 17 17 LYS C C 13 177.131 0.05 . 1 . . . . . . . . 6211 1 214 . 1 1 18 18 ASP N N 15 123.157 0.05 . 1 . . . . . . . . 6211 1 215 . 1 1 18 18 ASP H H 1 7.649 0.02 . 1 . . . . . . . . 6211 1 216 . 1 1 18 18 ASP CA C 13 51.421 0.05 . 1 . . . . . . . . 6211 1 217 . 1 1 18 18 ASP HA H 1 4.770 0.02 . 1 . . . . . . . . 6211 1 218 . 1 1 18 18 ASP CB C 13 41.825 0.05 . 1 . . . . . . . . 6211 1 219 . 1 1 18 18 ASP HB2 H 1 3.460 0.02 . 2 . . . . . . . . 6211 1 220 . 1 1 18 18 ASP HB3 H 1 2.827 0.02 . 2 . . . . . . . . 6211 1 221 . 1 1 19 19 PRO CA C 13 65.093 0.05 . 1 . . . . . . . . 6211 1 222 . 1 1 19 19 PRO HA H 1 4.158 0.02 . 1 . . . . . . . . 6211 1 223 . 1 1 19 19 PRO CB C 13 32.481 0.05 . 1 . . . . . . . . 6211 1 224 . 1 1 19 19 PRO HB2 H 1 2.452 0.02 . 2 . . . . . . . . 6211 1 225 . 1 1 19 19 PRO HB3 H 1 2.054 0.02 . 2 . . . . . . . . 6211 1 226 . 1 1 19 19 PRO CG C 13 27.573 0.05 . 1 . . . . . . . . 6211 1 227 . 1 1 19 19 PRO HG2 H 1 2.204 0.02 . 2 . . . . . . . . 6211 1 228 . 1 1 19 19 PRO HG3 H 1 2.100 0.02 . 2 . . . . . . . . 6211 1 229 . 1 1 19 19 PRO CD C 13 51.266 0.05 . 1 . . . . . . . . 6211 1 230 . 1 1 19 19 PRO HD2 H 1 4.236 0.02 . 2 . . . . . . . . 6211 1 231 . 1 1 19 19 PRO HD3 H 1 4.145 0.02 . 2 . . . . . . . . 6211 1 232 . 1 1 19 19 PRO C C 13 179.307 0.05 . 1 . . . . . . . . 6211 1 233 . 1 1 20 20 GLU N N 15 116.033 0.05 . 1 . . . . . . . . 6211 1 234 . 1 1 20 20 GLU H H 1 8.608 0.02 . 1 . . . . . . . . 6211 1 235 . 1 1 20 20 GLU CA C 13 58.682 0.05 . 1 . . . . . . . . 6211 1 236 . 1 1 20 20 GLU HA H 1 4.093 0.02 . 1 . . . . . . . . 6211 1 237 . 1 1 20 20 GLU CB C 13 30.056 0.05 . 1 . . . . . . . . 6211 1 238 . 1 1 20 20 GLU HB2 H 1 2.148 0.02 . 2 . . . . . . . . 6211 1 239 . 1 1 20 20 GLU HB3 H 1 2.076 0.02 . 2 . . . . . . . . 6211 1 240 . 1 1 20 20 GLU CG C 13 37.283 0.05 . 1 . . . . . . . . 6211 1 241 . 1 1 20 20 GLU HG2 H 1 2.504 0.02 . 2 . . . . . . . . 6211 1 242 . 1 1 20 20 GLU HG3 H 1 2.256 0.02 . 2 . . . . . . . . 6211 1 243 . 1 1 20 20 GLU C C 13 178.660 0.05 . 1 . . . . . . . . 6211 1 244 . 1 1 21 21 VAL N N 15 119.680 0.05 . 1 . . . . . . . . 6211 1 245 . 1 1 21 21 VAL H H 1 7.433 0.02 . 1 . . . . . . . . 6211 1 246 . 1 1 21 21 VAL CA C 13 65.714 0.05 . 1 . . . . . . . . 6211 1 247 . 1 1 21 21 VAL HA H 1 3.637 0.02 . 1 . . . . . . . . 6211 1 248 . 1 1 21 21 VAL CB C 13 31.389 0.05 . 1 . . . . . . . . 6211 1 249 . 1 1 21 21 VAL HB H 1 2.647 0.02 . 1 . . . . . . . . 6211 1 250 . 1 1 21 21 VAL CG1 C 13 24.077 0.05 . 2 . . . . . . . . 6211 1 251 . 1 1 21 21 VAL HG11 H 1 0.928 0.02 . 2 . . . . . . . . 6211 1 252 . 1 1 21 21 VAL HG12 H 1 0.928 0.02 . 2 . . . . . . . . 6211 1 253 . 1 1 21 21 VAL HG13 H 1 0.928 0.02 . 2 . . . . . . . . 6211 1 254 . 1 1 21 21 VAL CG2 C 13 20.970 0.05 . 2 . . . . . . . . 6211 1 255 . 1 1 21 21 VAL HG21 H 1 0.746 0.02 . 2 . . . . . . . . 6211 1 256 . 1 1 21 21 VAL HG22 H 1 0.746 0.02 . 2 . . . . . . . . 6211 1 257 . 1 1 21 21 VAL HG23 H 1 0.746 0.02 . 2 . . . . . . . . 6211 1 258 . 1 1 21 21 VAL C C 13 177.949 0.05 . 1 . . . . . . . . 6211 1 259 . 1 1 22 22 LYS N N 15 117.503 0.05 . 1 . . . . . . . . 6211 1 260 . 1 1 22 22 LYS H H 1 7.949 0.02 . 1 . . . . . . . . 6211 1 261 . 1 1 22 22 LYS CA C 13 59.034 0.05 . 1 . . . . . . . . 6211 1 262 . 1 1 22 22 LYS HA H 1 3.793 0.02 . 1 . . . . . . . . 6211 1 263 . 1 1 22 22 LYS CB C 13 32.316 0.05 . 1 . . . . . . . . 6211 1 264 . 1 1 22 22 LYS HB2 H 1 1.683 0.02 . 2 . . . . . . . . 6211 1 265 . 1 1 22 22 LYS HB3 H 1 1.652 0.02 . 2 . . . . . . . . 6211 1 266 . 1 1 22 22 LYS CG C 13 24.543 0.05 . 1 . . . . . . . . 6211 1 267 . 1 1 22 22 LYS HG2 H 1 1.306 0.02 . 2 . . . . . . . . 6211 1 268 . 1 1 22 22 LYS HG3 H 1 1.110 0.02 . 2 . . . . . . . . 6211 1 269 . 1 1 22 22 LYS CD C 13 28.733 0.05 . 1 . . . . . . . . 6211 1 270 . 1 1 22 22 LYS HD2 H 1 1.491 0.02 . 2 . . . . . . . . 6211 1 271 . 1 1 22 22 LYS HD3 H 1 1.410 0.02 . 2 . . . . . . . . 6211 1 272 . 1 1 22 22 LYS CE C 13 41.411 0.05 . 1 . . . . . . . . 6211 1 273 . 1 1 22 22 LYS HE2 H 1 2.817 0.02 . 2 . . . . . . . . 6211 1 274 . 1 1 22 22 LYS HE3 H 1 2.800 0.02 . 2 . . . . . . . . 6211 1 275 . 1 1 22 22 LYS C C 13 177.693 0.05 . 1 . . . . . . . . 6211 1 276 . 1 1 23 23 ALA N N 15 115.284 0.05 . 1 . . . . . . . . 6211 1 277 . 1 1 23 23 ALA H H 1 7.259 0.02 . 1 . . . . . . . . 6211 1 278 . 1 1 23 23 ALA CA C 13 52.353 0.05 . 1 . . . . . . . . 6211 1 279 . 1 1 23 23 ALA HA H 1 4.288 0.02 . 1 . . . . . . . . 6211 1 280 . 1 1 23 23 ALA CB C 13 18.950 0.05 . 1 . . . . . . . . 6211 1 281 . 1 1 23 23 ALA HB1 H 1 1.488 0.02 . 1 . . . . . . . . 6211 1 282 . 1 1 23 23 ALA HB2 H 1 1.488 0.02 . 1 . . . . . . . . 6211 1 283 . 1 1 23 23 ALA HB3 H 1 1.488 0.02 . 1 . . . . . . . . 6211 1 284 . 1 1 23 23 ALA C C 13 176.145 0.05 . 1 . . . . . . . . 6211 1 285 . 1 1 24 24 ASN N N 15 120.344 0.05 . 1 . . . . . . . . 6211 1 286 . 1 1 24 24 ASN H H 1 7.806 0.02 . 1 . . . . . . . . 6211 1 287 . 1 1 24 24 ASN CA C 13 52.652 0.05 . 1 . . . . . . . . 6211 1 288 . 1 1 24 24 ASN HA H 1 4.951 0.02 . 1 . . . . . . . . 6211 1 289 . 1 1 24 24 ASN CB C 13 41.033 0.05 . 1 . . . . . . . . 6211 1 290 . 1 1 24 24 ASN HB2 H 1 3.139 0.02 . 2 . . . . . . . . 6211 1 291 . 1 1 24 24 ASN HB3 H 1 2.742 0.02 . 2 . . . . . . . . 6211 1 292 . 1 1 24 24 ASN ND2 N 15 114.090 0.05 . 1 . . . . . . . . 6211 1 293 . 1 1 24 24 ASN HD21 H 1 8.216 0.02 . 2 . . . . . . . . 6211 1 294 . 1 1 24 24 ASN HD22 H 1 6.938 0.02 . 2 . . . . . . . . 6211 1 295 . 1 1 24 24 ASN C C 13 174.294 0.05 . 1 . . . . . . . . 6211 1 296 . 1 1 25 25 GLU N N 15 129.468 0.05 . 1 . . . . . . . . 6211 1 297 . 1 1 25 25 GLU H H 1 9.238 0.02 . 1 . . . . . . . . 6211 1 298 . 1 1 25 25 GLU CA C 13 60.277 0.05 . 1 . . . . . . . . 6211 1 299 . 1 1 25 25 GLU HA H 1 4.067 0.02 . 1 . . . . . . . . 6211 1 300 . 1 1 25 25 GLU CB C 13 29.670 0.05 . 1 . . . . . . . . 6211 1 301 . 1 1 25 25 GLU HB2 H 1 2.210 0.02 . 2 . . . . . . . . 6211 1 302 . 1 1 25 25 GLU HB3 H 1 2.136 0.02 . 2 . . . . . . . . 6211 1 303 . 1 1 25 25 GLU CG C 13 36.453 0.05 . 1 . . . . . . . . 6211 1 304 . 1 1 25 25 GLU HG2 H 1 2.427 0.02 . 2 . . . . . . . . 6211 1 305 . 1 1 25 25 GLU HG3 H 1 2.339 0.02 . 2 . . . . . . . . 6211 1 306 . 1 1 25 25 GLU C C 13 177.058 0.05 . 1 . . . . . . . . 6211 1 307 . 1 1 26 26 PHE N N 15 118.283 0.05 . 1 . . . . . . . . 6211 1 308 . 1 1 26 26 PHE H H 1 8.192 0.02 . 1 . . . . . . . . 6211 1 309 . 1 1 26 26 PHE CA C 13 61.615 0.05 . 1 . . . . . . . . 6211 1 310 . 1 1 26 26 PHE HA H 1 4.228 0.02 . 1 . . . . . . . . 6211 1 311 . 1 1 26 26 PHE CB C 13 39.447 0.05 . 1 . . . . . . . . 6211 1 312 . 1 1 26 26 PHE HB2 H 1 3.426 0.02 . 2 . . . . . . . . 6211 1 313 . 1 1 26 26 PHE HB3 H 1 3.148 0.02 . 2 . . . . . . . . 6211 1 314 . 1 1 26 26 PHE CD1 C 13 133.178 0.05 . 3 . . . . . . . . 6211 1 315 . 1 1 26 26 PHE HD1 H 1 7.130 0.02 . 3 . . . . . . . . 6211 1 316 . 1 1 26 26 PHE CE1 C 13 131.460 0.05 . 3 . . . . . . . . 6211 1 317 . 1 1 26 26 PHE HE1 H 1 7.374 0.02 . 3 . . . . . . . . 6211 1 318 . 1 1 26 26 PHE CZ C 13 128.597 0.05 . 1 . . . . . . . . 6211 1 319 . 1 1 26 26 PHE HZ H 1 6.697 0.02 . 1 . . . . . . . . 6211 1 320 . 1 1 26 26 PHE C C 13 178.322 0.05 . 1 . . . . . . . . 6211 1 321 . 1 1 27 27 LEU N N 15 118.479 0.05 . 1 . . . . . . . . 6211 1 322 . 1 1 27 27 LEU H H 1 8.761 0.02 . 1 . . . . . . . . 6211 1 323 . 1 1 27 27 LEU CA C 13 57.169 0.05 . 1 . . . . . . . . 6211 1 324 . 1 1 27 27 LEU HA H 1 3.845 0.02 . 1 . . . . . . . . 6211 1 325 . 1 1 27 27 LEU CB C 13 42.265 0.05 . 1 . . . . . . . . 6211 1 326 . 1 1 27 27 LEU HB2 H 1 1.956 0.02 . 2 . . . . . . . . 6211 1 327 . 1 1 27 27 LEU HB3 H 1 1.390 0.02 . 2 . . . . . . . . 6211 1 328 . 1 1 27 27 LEU CG C 13 26.806 0.05 . 1 . . . . . . . . 6211 1 329 . 1 1 27 27 LEU HG H 1 1.477 0.02 . 1 . . . . . . . . 6211 1 330 . 1 1 27 27 LEU CD1 C 13 26.408 0.05 . 2 . . . . . . . . 6211 1 331 . 1 1 27 27 LEU HD11 H 1 0.590 0.02 . 1 . . . . . . . . 6211 1 332 . 1 1 27 27 LEU HD12 H 1 0.590 0.02 . 1 . . . . . . . . 6211 1 333 . 1 1 27 27 LEU HD13 H 1 0.590 0.02 . 1 . . . . . . . . 6211 1 334 . 1 1 27 27 LEU CD2 C 13 21.591 0.05 . 2 . . . . . . . . 6211 1 335 . 1 1 27 27 LEU HD21 H 1 0.590 0.02 . 1 . . . . . . . . 6211 1 336 . 1 1 27 27 LEU HD22 H 1 0.590 0.02 . 1 . . . . . . . . 6211 1 337 . 1 1 27 27 LEU HD23 H 1 0.590 0.02 . 1 . . . . . . . . 6211 1 338 . 1 1 27 27 LEU C C 13 178.237 0.05 . 1 . . . . . . . . 6211 1 339 . 1 1 28 28 SER N N 15 114.902 0.05 . 1 . . . . . . . . 6211 1 340 . 1 1 28 28 SER H H 1 8.763 0.02 . 1 . . . . . . . . 6211 1 341 . 1 1 28 28 SER CA C 13 62.760 0.05 . 1 . . . . . . . . 6211 1 342 . 1 1 28 28 SER HA H 1 3.916 0.02 . 1 . . . . . . . . 6211 1 343 . 1 1 28 28 SER CB C 13 62.607 0.05 . 1 . . . . . . . . 6211 1 344 . 1 1 28 28 SER HB2 H 1 4.236 0.02 . 2 . . . . . . . . 6211 1 345 . 1 1 28 28 SER HB3 H 1 4.158 0.02 . 2 . . . . . . . . 6211 1 346 . 1 1 28 28 SER C C 13 176.232 0.05 . 1 . . . . . . . . 6211 1 347 . 1 1 29 29 LYS N N 15 120.371 0.05 . 1 . . . . . . . . 6211 1 348 . 1 1 29 29 LYS H H 1 7.774 0.02 . 1 . . . . . . . . 6211 1 349 . 1 1 29 29 LYS CA C 13 60.044 0.05 . 1 . . . . . . . . 6211 1 350 . 1 1 29 29 LYS HA H 1 3.962 0.02 . 1 . . . . . . . . 6211 1 351 . 1 1 29 29 LYS CB C 13 32.019 0.05 . 1 . . . . . . . . 6211 1 352 . 1 1 29 29 LYS HB2 H 1 1.922 0.02 . 2 . . . . . . . . 6211 1 353 . 1 1 29 29 LYS HB3 H 1 1.805 0.02 . 2 . . . . . . . . 6211 1 354 . 1 1 29 29 LYS CG C 13 25.949 0.05 . 1 . . . . . . . . 6211 1 355 . 1 1 29 29 LYS HG2 H 1 1.728 0.02 . 2 . . . . . . . . 6211 1 356 . 1 1 29 29 LYS HG3 H 1 1.423 0.02 . 2 . . . . . . . . 6211 1 357 . 1 1 29 29 LYS CD C 13 29.336 0.05 . 1 . . . . . . . . 6211 1 358 . 1 1 29 29 LYS HD2 H 1 1.712 0.02 . 2 . . . . . . . . 6211 1 359 . 1 1 29 29 LYS CE C 13 41.789 0.05 . 1 . . . . . . . . 6211 1 360 . 1 1 29 29 LYS HE2 H 1 3.020 0.02 . 2 . . . . . . . . 6211 1 361 . 1 1 29 29 LYS C C 13 179.001 0.05 . 1 . . . . . . . . 6211 1 362 . 1 1 30 30 LEU N N 15 120.740 0.05 . 1 . . . . . . . . 6211 1 363 . 1 1 30 30 LEU H H 1 7.597 0.02 . 1 . . . . . . . . 6211 1 364 . 1 1 30 30 LEU CA C 13 57.915 0.05 . 1 . . . . . . . . 6211 1 365 . 1 1 30 30 LEU HA H 1 4.140 0.02 . 1 . . . . . . . . 6211 1 366 . 1 1 30 30 LEU CB C 13 42.265 0.05 . 1 . . . . . . . . 6211 1 367 . 1 1 30 30 LEU HB2 H 1 1.905 0.02 . 2 . . . . . . . . 6211 1 368 . 1 1 30 30 LEU HB3 H 1 1.186 0.02 . 2 . . . . . . . . 6211 1 369 . 1 1 30 30 LEU CG C 13 26.890 0.05 . 1 . . . . . . . . 6211 1 370 . 1 1 30 30 LEU HG H 1 1.451 0.02 . 1 . . . . . . . . 6211 1 371 . 1 1 30 30 LEU CD1 C 13 23.190 0.05 . 2 . . . . . . . . 6211 1 372 . 1 1 30 30 LEU HD11 H 1 0.887 0.02 . 2 . . . . . . . . 6211 1 373 . 1 1 30 30 LEU HD12 H 1 0.887 0.02 . 2 . . . . . . . . 6211 1 374 . 1 1 30 30 LEU HD13 H 1 0.887 0.02 . 2 . . . . . . . . 6211 1 375 . 1 1 30 30 LEU CD2 C 13 26.821 0.05 . 2 . . . . . . . . 6211 1 376 . 1 1 30 30 LEU HD21 H 1 0.896 0.02 . 2 . . . . . . . . 6211 1 377 . 1 1 30 30 LEU HD22 H 1 0.896 0.02 . 2 . . . . . . . . 6211 1 378 . 1 1 30 30 LEU HD23 H 1 0.896 0.02 . 2 . . . . . . . . 6211 1 379 . 1 1 30 30 LEU C C 13 178.754 0.05 . 1 . . . . . . . . 6211 1 380 . 1 1 31 31 VAL N N 15 118.075 0.05 . 1 . . . . . . . . 6211 1 381 . 1 1 31 31 VAL H H 1 8.345 0.02 . 1 . . . . . . . . 6211 1 382 . 1 1 31 31 VAL CA C 13 67.423 0.05 . 1 . . . . . . . . 6211 1 383 . 1 1 31 31 VAL HA H 1 3.468 0.02 . 1 . . . . . . . . 6211 1 384 . 1 1 31 31 VAL CB C 13 31.535 0.05 . 1 . . . . . . . . 6211 1 385 . 1 1 31 31 VAL HB H 1 2.256 0.02 . 1 . . . . . . . . 6211 1 386 . 1 1 31 31 VAL CG1 C 13 23.456 0.05 . 2 . . . . . . . . 6211 1 387 . 1 1 31 31 VAL HG11 H 1 1.084 0.02 . 2 . . . . . . . . 6211 1 388 . 1 1 31 31 VAL HG12 H 1 1.084 0.02 . 2 . . . . . . . . 6211 1 389 . 1 1 31 31 VAL HG13 H 1 1.084 0.02 . 2 . . . . . . . . 6211 1 390 . 1 1 31 31 VAL CG2 C 13 22.516 0.05 . 2 . . . . . . . . 6211 1 391 . 1 1 31 31 VAL HG21 H 1 0.967 0.02 . 2 . . . . . . . . 6211 1 392 . 1 1 31 31 VAL HG22 H 1 0.967 0.02 . 2 . . . . . . . . 6211 1 393 . 1 1 31 31 VAL HG23 H 1 0.967 0.02 . 2 . . . . . . . . 6211 1 394 . 1 1 31 31 VAL C C 13 177.605 0.05 . 1 . . . . . . . . 6211 1 395 . 1 1 32 32 VAL N N 15 119.991 0.05 . 1 . . . . . . . . 6211 1 396 . 1 1 32 32 VAL H H 1 8.147 0.02 . 1 . . . . . . . . 6211 1 397 . 1 1 32 32 VAL CA C 13 66.491 0.05 . 1 . . . . . . . . 6211 1 398 . 1 1 32 32 VAL HA H 1 3.507 0.02 . 1 . . . . . . . . 6211 1 399 . 1 1 32 32 VAL CB C 13 31.845 0.05 . 1 . . . . . . . . 6211 1 400 . 1 1 32 32 VAL HB H 1 2.009 0.02 . 1 . . . . . . . . 6211 1 401 . 1 1 32 32 VAL CG1 C 13 23.300 0.05 . 2 . . . . . . . . 6211 1 402 . 1 1 32 32 VAL HG11 H 1 0.850 0.02 . 2 . . . . . . . . 6211 1 403 . 1 1 32 32 VAL HG12 H 1 0.850 0.02 . 2 . . . . . . . . 6211 1 404 . 1 1 32 32 VAL HG13 H 1 0.850 0.02 . 2 . . . . . . . . 6211 1 405 . 1 1 32 32 VAL CG2 C 13 20.970 0.05 . 2 . . . . . . . . 6211 1 406 . 1 1 32 32 VAL HG21 H 1 0.889 0.02 . 2 . . . . . . . . 6211 1 407 . 1 1 32 32 VAL HG22 H 1 0.889 0.02 . 2 . . . . . . . . 6211 1 408 . 1 1 32 32 VAL HG23 H 1 0.889 0.02 . 2 . . . . . . . . 6211 1 409 . 1 1 32 32 VAL C C 13 179.717 0.05 . 1 . . . . . . . . 6211 1 410 . 1 1 33 33 GLN N N 15 121.079 0.05 . 1 . . . . . . . . 6211 1 411 . 1 1 33 33 GLN H H 1 8.546 0.02 . 1 . . . . . . . . 6211 1 412 . 1 1 33 33 GLN CA C 13 58.723 0.05 . 1 . . . . . . . . 6211 1 413 . 1 1 33 33 GLN HA H 1 4.119 0.02 . 1 . . . . . . . . 6211 1 414 . 1 1 33 33 GLN CB C 13 28.583 0.05 . 1 . . . . . . . . 6211 1 415 . 1 1 33 33 GLN HB2 H 1 2.348 0.02 . 2 . . . . . . . . 6211 1 416 . 1 1 33 33 GLN HB3 H 1 2.256 0.02 . 2 . . . . . . . . 6211 1 417 . 1 1 33 33 GLN CG C 13 33.787 0.05 . 1 . . . . . . . . 6211 1 418 . 1 1 33 33 GLN HG2 H 1 2.517 0.02 . 2 . . . . . . . . 6211 1 419 . 1 1 33 33 GLN HG3 H 1 2.126 0.02 . 2 . . . . . . . . 6211 1 420 . 1 1 33 33 GLN NE2 N 15 110.337 0.05 . 1 . . . . . . . . 6211 1 421 . 1 1 33 33 GLN HE21 H 1 7.380 0.02 . 2 . . . . . . . . 6211 1 422 . 1 1 33 33 GLN HE22 H 1 6.786 0.02 . 2 . . . . . . . . 6211 1 423 . 1 1 33 33 GLN C C 13 179.960 0.05 . 1 . . . . . . . . 6211 1 424 . 1 1 34 34 CYS N N 15 117.150 0.05 . 1 . . . . . . . . 6211 1 425 . 1 1 34 34 CYS H H 1 8.353 0.02 . 1 . . . . . . . . 6211 1 426 . 1 1 34 34 CYS CA C 13 65.248 0.05 . 1 . . . . . . . . 6211 1 427 . 1 1 34 34 CYS HA H 1 4.067 0.02 . 1 . . . . . . . . 6211 1 428 . 1 1 34 34 CYS CB C 13 27.632 0.05 . 1 . . . . . . . . 6211 1 429 . 1 1 34 34 CYS HB2 H 1 3.132 0.02 . 2 . . . . . . . . 6211 1 430 . 1 1 34 34 CYS HB3 H 1 2.587 0.02 . 2 . . . . . . . . 6211 1 431 . 1 1 34 34 CYS C C 13 175.847 0.05 . 1 . . . . . . . . 6211 1 432 . 1 1 35 35 ALA N N 15 122.705 0.05 . 1 . . . . . . . . 6211 1 433 . 1 1 35 35 ALA H H 1 8.861 0.02 . 1 . . . . . . . . 6211 1 434 . 1 1 35 35 ALA CA C 13 56.082 0.05 . 1 . . . . . . . . 6211 1 435 . 1 1 35 35 ALA HA H 1 4.040 0.02 . 1 . . . . . . . . 6211 1 436 . 1 1 35 35 ALA CB C 13 17.397 0.05 . 1 . . . . . . . . 6211 1 437 . 1 1 35 35 ALA HB1 H 1 1.449 0.02 . 1 . . . . . . . . 6211 1 438 . 1 1 35 35 ALA HB2 H 1 1.449 0.02 . 1 . . . . . . . . 6211 1 439 . 1 1 35 35 ALA HB3 H 1 1.449 0.02 . 1 . . . . . . . . 6211 1 440 . 1 1 35 35 ALA C C 13 179.757 0.05 . 1 . . . . . . . . 6211 1 441 . 1 1 36 36 GLY N N 15 103.213 0.05 . 1 . . . . . . . . 6211 1 442 . 1 1 36 36 GLY H H 1 8.040 0.02 . 1 . . . . . . . . 6211 1 443 . 1 1 36 36 GLY CA C 13 46.605 0.05 . 1 . . . . . . . . 6211 1 444 . 1 1 36 36 GLY HA2 H 1 3.936 0.02 . 2 . . . . . . . . 6211 1 445 . 1 1 36 36 GLY C C 13 176.829 0.05 . 1 . . . . . . . . 6211 1 446 . 1 1 37 37 LYS N N 15 121.518 0.05 . 1 . . . . . . . . 6211 1 447 . 1 1 37 37 LYS H H 1 7.711 0.02 . 1 . . . . . . . . 6211 1 448 . 1 1 37 37 LYS CA C 13 59.103 0.05 . 1 . . . . . . . . 6211 1 449 . 1 1 37 37 LYS HA H 1 4.161 0.02 . 1 . . . . . . . . 6211 1 450 . 1 1 37 37 LYS CB C 13 32.933 0.05 . 1 . . . . . . . . 6211 1 451 . 1 1 37 37 LYS HB2 H 1 1.866 0.02 . 2 . . . . . . . . 6211 1 452 . 1 1 37 37 LYS CG C 13 26.097 0.05 . 1 . . . . . . . . 6211 1 453 . 1 1 37 37 LYS HG2 H 1 1.618 0.02 . 2 . . . . . . . . 6211 1 454 . 1 1 37 37 LYS CD C 13 29.029 0.05 . 1 . . . . . . . . 6211 1 455 . 1 1 37 37 LYS HD2 H 1 1.518 0.02 . 2 . . . . . . . . 6211 1 456 . 1 1 37 37 LYS CE C 13 41.924 0.05 . 1 . . . . . . . . 6211 1 457 . 1 1 37 37 LYS HE2 H 1 3.010 0.02 . 2 . . . . . . . . 6211 1 458 . 1 1 37 37 LYS HE3 H 1 2.890 0.02 . 2 . . . . . . . . 6211 1 459 . 1 1 37 37 LYS C C 13 179.353 0.05 . 1 . . . . . . . . 6211 1 460 . 1 1 38 38 LEU N N 15 117.037 0.05 . 1 . . . . . . . . 6211 1 461 . 1 1 38 38 LEU H H 1 7.765 0.02 . 1 . . . . . . . . 6211 1 462 . 1 1 38 38 LEU CA C 13 56.859 0.05 . 1 . . . . . . . . 6211 1 463 . 1 1 38 38 LEU HA H 1 4.340 0.02 . 1 . . . . . . . . 6211 1 464 . 1 1 38 38 LEU CB C 13 42.255 0.05 . 1 . . . . . . . . 6211 1 465 . 1 1 38 38 LEU HB2 H 1 2.217 0.02 . 2 . . . . . . . . 6211 1 466 . 1 1 38 38 LEU HB3 H 1 1.696 0.02 . 2 . . . . . . . . 6211 1 467 . 1 1 38 38 LEU CG C 13 26.585 0.05 . 1 . . . . . . . . 6211 1 468 . 1 1 38 38 LEU HG H 1 2.205 0.02 . 1 . . . . . . . . 6211 1 469 . 1 1 38 38 LEU CD1 C 13 26.408 0.05 . 2 . . . . . . . . 6211 1 470 . 1 1 38 38 LEU HD11 H 1 1.137 0.02 . 2 . . . . . . . . 6211 1 471 . 1 1 38 38 LEU HD12 H 1 1.137 0.02 . 2 . . . . . . . . 6211 1 472 . 1 1 38 38 LEU HD13 H 1 1.137 0.02 . 2 . . . . . . . . 6211 1 473 . 1 1 38 38 LEU CD2 C 13 22.524 0.05 . 2 . . . . . . . . 6211 1 474 . 1 1 38 38 LEU HD21 H 1 1.097 0.02 . 2 . . . . . . . . 6211 1 475 . 1 1 38 38 LEU HD22 H 1 1.097 0.02 . 2 . . . . . . . . 6211 1 476 . 1 1 38 38 LEU HD23 H 1 1.097 0.02 . 2 . . . . . . . . 6211 1 477 . 1 1 38 38 LEU C C 13 178.420 0.05 . 1 . . . . . . . . 6211 1 478 . 1 1 39 39 THR N N 15 108.344 0.05 . 1 . . . . . . . . 6211 1 479 . 1 1 39 39 THR H H 1 7.689 0.02 . 1 . . . . . . . . 6211 1 480 . 1 1 39 39 THR CA C 13 63.229 0.05 . 1 . . . . . . . . 6211 1 481 . 1 1 39 39 THR HA H 1 4.119 0.02 . 1 . . . . . . . . 6211 1 482 . 1 1 39 39 THR CB C 13 69.132 0.05 . 1 . . . . . . . . 6211 1 483 . 1 1 39 39 THR HB H 1 4.262 0.02 . 1 . . . . . . . . 6211 1 484 . 1 1 39 39 THR CG2 C 13 21.902 0.05 . 1 . . . . . . . . 6211 1 485 . 1 1 39 39 THR HG21 H 1 1.071 0.02 . 1 . . . . . . . . 6211 1 486 . 1 1 39 39 THR HG22 H 1 1.071 0.02 . 1 . . . . . . . . 6211 1 487 . 1 1 39 39 THR HG23 H 1 1.071 0.02 . 1 . . . . . . . . 6211 1 488 . 1 1 39 39 THR C C 13 175.574 0.05 . 1 . . . . . . . . 6211 1 489 . 1 1 40 40 ALA N N 15 123.949 0.05 . 1 . . . . . . . . 6211 1 490 . 1 1 40 40 ALA H H 1 7.493 0.02 . 1 . . . . . . . . 6211 1 491 . 1 1 40 40 ALA CA C 13 52.819 0.05 . 1 . . . . . . . . 6211 1 492 . 1 1 40 40 ALA HA H 1 4.366 0.02 . 1 . . . . . . . . 6211 1 493 . 1 1 40 40 ALA CB C 13 19.416 0.05 . 1 . . . . . . . . 6211 1 494 . 1 1 40 40 ALA HB1 H 1 1.514 0.02 . 1 . . . . . . . . 6211 1 495 . 1 1 40 40 ALA HB2 H 1 1.514 0.02 . 1 . . . . . . . . 6211 1 496 . 1 1 40 40 ALA HB3 H 1 1.514 0.02 . 1 . . . . . . . . 6211 1 497 . 1 1 40 40 ALA C C 13 177.754 0.05 . 1 . . . . . . . . 6211 1 498 . 1 1 41 41 SER N N 15 112.726 0.05 . 1 . . . . . . . . 6211 1 499 . 1 1 41 41 SER H H 1 7.870 0.02 . 1 . . . . . . . . 6211 1 500 . 1 1 41 41 SER CA C 13 58.102 0.05 . 1 . . . . . . . . 6211 1 501 . 1 1 41 41 SER HA H 1 4.483 0.02 . 1 . . . . . . . . 6211 1 502 . 1 1 41 41 SER CB C 13 63.850 0.05 . 1 . . . . . . . . 6211 1 503 . 1 1 41 41 SER HB2 H 1 3.962 0.02 . 2 . . . . . . . . 6211 1 504 . 1 1 41 41 SER C C 13 174.175 0.05 . 1 . . . . . . . . 6211 1 505 . 1 1 42 42 ASN N N 15 121.525 0.05 . 1 . . . . . . . . 6211 1 506 . 1 1 42 42 ASN H H 1 8.661 0.02 . 1 . . . . . . . . 6211 1 507 . 1 1 42 42 ASN CA C 13 52.819 0.05 . 1 . . . . . . . . 6211 1 508 . 1 1 42 42 ASN HA H 1 4.952 0.02 . 1 . . . . . . . . 6211 1 509 . 1 1 42 42 ASN CB C 13 38.695 0.05 . 1 . . . . . . . . 6211 1 510 . 1 1 42 42 ASN HB2 H 1 2.927 0.02 . 2 . . . . . . . . 6211 1 511 . 1 1 42 42 ASN HB3 H 1 2.902 0.02 . 2 . . . . . . . . 6211 1 512 . 1 1 42 42 ASN ND2 N 15 112.846 0.05 . 1 . . . . . . . . 6211 1 513 . 1 1 42 42 ASN HD21 H 1 7.673 0.02 . 2 . . . . . . . . 6211 1 514 . 1 1 42 42 ASN HD22 H 1 7.006 0.02 . 2 . . . . . . . . 6211 1 515 . 1 1 42 42 ASN C C 13 175.087 0.05 . 1 . . . . . . . . 6211 1 516 . 1 1 43 43 SER N N 15 115.086 0.05 . 1 . . . . . . . . 6211 1 517 . 1 1 43 43 SER H H 1 8.202 0.02 . 1 . . . . . . . . 6211 1 518 . 1 1 43 43 SER CA C 13 57.636 0.05 . 1 . . . . . . . . 6211 1 519 . 1 1 43 43 SER HA H 1 4.653 0.02 . 1 . . . . . . . . 6211 1 520 . 1 1 43 43 SER CB C 13 64.782 0.05 . 1 . . . . . . . . 6211 1 521 . 1 1 43 43 SER HB2 H 1 4.158 0.02 . 2 . . . . . . . . 6211 1 522 . 1 1 43 43 SER HB3 H 1 3.962 0.02 . 2 . . . . . . . . 6211 1 523 . 1 1 43 43 SER C C 13 175.396 0.05 . 1 . . . . . . . . 6211 1 524 . 1 1 44 44 GLU N N 15 124.595 0.05 . 1 . . . . . . . . 6211 1 525 . 1 1 44 44 GLU H H 1 9.117 0.02 . 1 . . . . . . . . 6211 1 526 . 1 1 44 44 GLU CA C 13 58.723 0.05 . 1 . . . . . . . . 6211 1 527 . 1 1 44 44 GLU HA H 1 4.314 0.02 . 1 . . . . . . . . 6211 1 528 . 1 1 44 44 GLU CB C 13 30.189 0.05 . 1 . . . . . . . . 6211 1 529 . 1 1 44 44 GLU HB2 H 1 2.153 0.02 . 2 . . . . . . . . 6211 1 530 . 1 1 44 44 GLU CG C 13 36.196 0.05 . 1 . . . . . . . . 6211 1 531 . 1 1 44 44 GLU HG2 H 1 2.413 0.02 . 2 . . . . . . . . 6211 1 532 . 1 1 44 44 GLU HG3 H 1 2.361 0.02 . 2 . . . . . . . . 6211 1 533 . 1 1 44 44 GLU C C 13 177.751 0.05 . 1 . . . . . . . . 6211 1 534 . 1 1 45 45 ASN N N 15 117.073 0.05 . 1 . . . . . . . . 6211 1 535 . 1 1 45 45 ASN H H 1 8.585 0.02 . 1 . . . . . . . . 6211 1 536 . 1 1 45 45 ASN CA C 13 54.684 0.05 . 1 . . . . . . . . 6211 1 537 . 1 1 45 45 ASN HA H 1 4.705 0.02 . 1 . . . . . . . . 6211 1 538 . 1 1 45 45 ASN CB C 13 38.410 0.05 . 1 . . . . . . . . 6211 1 539 . 1 1 45 45 ASN HB2 H 1 2.940 0.02 . 2 . . . . . . . . 6211 1 540 . 1 1 45 45 ASN HB3 H 1 2.790 0.02 . 2 . . . . . . . . 6211 1 541 . 1 1 45 45 ASN ND2 N 15 113.213 0.05 . 1 . . . . . . . . 6211 1 542 . 1 1 45 45 ASN HD21 H 1 7.847 0.02 . 2 . . . . . . . . 6211 1 543 . 1 1 45 45 ASN HD22 H 1 7.026 0.02 . 2 . . . . . . . . 6211 1 544 . 1 1 45 45 ASN C C 13 176.794 0.05 . 1 . . . . . . . . 6211 1 545 . 1 1 46 46 SER N N 15 116.599 0.05 . 1 . . . . . . . . 6211 1 546 . 1 1 46 46 SER H H 1 7.935 0.02 . 1 . . . . . . . . 6211 1 547 . 1 1 46 46 SER CA C 13 61.520 0.05 . 1 . . . . . . . . 6211 1 548 . 1 1 46 46 SER HA H 1 4.275 0.02 . 1 . . . . . . . . 6211 1 549 . 1 1 46 46 SER CB C 13 62.918 0.05 . 1 . . . . . . . . 6211 1 550 . 1 1 46 46 SER HB2 H 1 3.975 0.02 . 2 . . . . . . . . 6211 1 551 . 1 1 46 46 SER C C 13 175.084 0.05 . 1 . . . . . . . . 6211 1 552 . 1 1 47 47 TYR N N 15 122.422 0.05 . 1 . . . . . . . . 6211 1 553 . 1 1 47 47 TYR H H 1 7.911 0.02 . 1 . . . . . . . . 6211 1 554 . 1 1 47 47 TYR CA C 13 62.340 0.05 . 1 . . . . . . . . 6211 1 555 . 1 1 47 47 TYR HA H 1 3.990 0.02 . 1 . . . . . . . . 6211 1 556 . 1 1 47 47 TYR CB C 13 38.252 0.05 . 1 . . . . . . . . 6211 1 557 . 1 1 47 47 TYR HB2 H 1 3.192 0.02 . 2 . . . . . . . . 6211 1 558 . 1 1 47 47 TYR HB3 H 1 3.080 0.02 . 2 . . . . . . . . 6211 1 559 . 1 1 47 47 TYR CD1 C 13 132.691 0.05 . 3 . . . . . . . . 6211 1 560 . 1 1 47 47 TYR HD1 H 1 7.036 0.02 . 3 . . . . . . . . 6211 1 561 . 1 1 47 47 TYR CE1 C 13 118.103 0.05 . 3 . . . . . . . . 6211 1 562 . 1 1 47 47 TYR HE1 H 1 6.647 0.02 . 3 . . . . . . . . 6211 1 563 . 1 1 47 47 TYR C C 13 176.501 0.05 . 1 . . . . . . . . 6211 1 564 . 1 1 48 48 ILE N N 15 118.295 0.05 . 1 . . . . . . . . 6211 1 565 . 1 1 48 48 ILE H H 1 7.925 0.02 . 1 . . . . . . . . 6211 1 566 . 1 1 48 48 ILE CA C 13 62.141 0.05 . 1 . . . . . . . . 6211 1 567 . 1 1 48 48 ILE HA H 1 3.454 0.02 . 1 . . . . . . . . 6211 1 568 . 1 1 48 48 ILE CB C 13 36.040 0.05 . 1 . . . . . . . . 6211 1 569 . 1 1 48 48 ILE HB H 1 1.983 0.02 . 1 . . . . . . . . 6211 1 570 . 1 1 48 48 ILE CG1 C 13 28.582 0.05 . 1 . . . . . . . . 6211 1 571 . 1 1 48 48 ILE HG12 H 1 1.623 0.02 . 2 . . . . . . . . 6211 1 572 . 1 1 48 48 ILE HG13 H 1 1.527 0.02 . 2 . . . . . . . . 6211 1 573 . 1 1 48 48 ILE CG2 C 13 17.552 0.05 . 1 . . . . . . . . 6211 1 574 . 1 1 48 48 ILE HG21 H 1 0.655 0.02 . 1 . . . . . . . . 6211 1 575 . 1 1 48 48 ILE HG22 H 1 0.655 0.02 . 1 . . . . . . . . 6211 1 576 . 1 1 48 48 ILE HG23 H 1 0.655 0.02 . 1 . . . . . . . . 6211 1 577 . 1 1 48 48 ILE CD1 C 13 10.716 0.05 . 1 . . . . . . . . 6211 1 578 . 1 1 48 48 ILE HD11 H 1 0.876 0.02 . 1 . . . . . . . . 6211 1 579 . 1 1 48 48 ILE HD12 H 1 0.876 0.02 . 1 . . . . . . . . 6211 1 580 . 1 1 48 48 ILE HD13 H 1 0.876 0.02 . 1 . . . . . . . . 6211 1 581 . 1 1 48 48 ILE C C 13 176.724 0.05 . 1 . . . . . . . . 6211 1 582 . 1 1 49 49 GLU N N 15 119.327 0.05 . 1 . . . . . . . . 6211 1 583 . 1 1 49 49 GLU H H 1 7.627 0.02 . 1 . . . . . . . . 6211 1 584 . 1 1 49 49 GLU CA C 13 59.189 0.05 . 1 . . . . . . . . 6211 1 585 . 1 1 49 49 GLU HA H 1 3.220 0.02 . 1 . . . . . . . . 6211 1 586 . 1 1 49 49 GLU CB C 13 29.264 0.05 . 1 . . . . . . . . 6211 1 587 . 1 1 49 49 GLU HB2 H 1 2.064 0.02 . 2 . . . . . . . . 6211 1 588 . 1 1 49 49 GLU HB3 H 1 1.898 0.02 . 2 . . . . . . . . 6211 1 589 . 1 1 49 49 GLU CG C 13 35.633 0.05 . 1 . . . . . . . . 6211 1 590 . 1 1 49 49 GLU HG2 H 1 2.462 0.02 . 2 . . . . . . . . 6211 1 591 . 1 1 49 49 GLU HG3 H 1 1.905 0.02 . 2 . . . . . . . . 6211 1 592 . 1 1 49 49 GLU C C 13 178.447 0.05 . 1 . . . . . . . . 6211 1 593 . 1 1 50 50 VAL N N 15 118.719 0.05 . 1 . . . . . . . . 6211 1 594 . 1 1 50 50 VAL H H 1 7.828 0.02 . 1 . . . . . . . . 6211 1 595 . 1 1 50 50 VAL CA C 13 67.113 0.05 . 1 . . . . . . . . 6211 1 596 . 1 1 50 50 VAL HA H 1 3.650 0.02 . 1 . . . . . . . . 6211 1 597 . 1 1 50 50 VAL CB C 13 31.069 0.05 . 1 . . . . . . . . 6211 1 598 . 1 1 50 50 VAL HB H 1 2.256 0.02 . 1 . . . . . . . . 6211 1 599 . 1 1 50 50 VAL CG1 C 13 25.476 0.05 . 2 . . . . . . . . 6211 1 600 . 1 1 50 50 VAL HG11 H 1 1.150 0.02 . 2 . . . . . . . . 6211 1 601 . 1 1 50 50 VAL HG12 H 1 1.150 0.02 . 2 . . . . . . . . 6211 1 602 . 1 1 50 50 VAL HG13 H 1 1.150 0.02 . 2 . . . . . . . . 6211 1 603 . 1 1 50 50 VAL CG2 C 13 22.524 0.05 . 2 . . . . . . . . 6211 1 604 . 1 1 50 50 VAL HG21 H 1 0.941 0.02 . 2 . . . . . . . . 6211 1 605 . 1 1 50 50 VAL HG22 H 1 0.941 0.02 . 2 . . . . . . . . 6211 1 606 . 1 1 50 50 VAL HG23 H 1 0.941 0.02 . 2 . . . . . . . . 6211 1 607 . 1 1 50 50 VAL C C 13 177.170 0.05 . 1 . . . . . . . . 6211 1 608 . 1 1 51 51 ILE N N 15 119.666 0.05 . 1 . . . . . . . . 6211 1 609 . 1 1 51 51 ILE H H 1 8.411 0.02 . 1 . . . . . . . . 6211 1 610 . 1 1 51 51 ILE CA C 13 62.763 0.05 . 1 . . . . . . . . 6211 1 611 . 1 1 51 51 ILE HA H 1 3.663 0.02 . 1 . . . . . . . . 6211 1 612 . 1 1 51 51 ILE CB C 13 34.745 0.05 . 1 . . . . . . . . 6211 1 613 . 1 1 51 51 ILE HB H 1 2.102 0.02 . 1 . . . . . . . . 6211 1 614 . 1 1 51 51 ILE CG1 C 13 26.746 0.05 . 1 . . . . . . . . 6211 1 615 . 1 1 51 51 ILE HG12 H 1 1.213 0.02 . 2 . . . . . . . . 6211 1 616 . 1 1 51 51 ILE HG13 H 1 0.890 0.02 . 2 . . . . . . . . 6211 1 617 . 1 1 51 51 ILE CG2 C 13 18.484 0.05 . 1 . . . . . . . . 6211 1 618 . 1 1 51 51 ILE HG21 H 1 0.785 0.02 . 1 . . . . . . . . 6211 1 619 . 1 1 51 51 ILE HG22 H 1 0.785 0.02 . 1 . . . . . . . . 6211 1 620 . 1 1 51 51 ILE HG23 H 1 0.785 0.02 . 1 . . . . . . . . 6211 1 621 . 1 1 51 51 ILE CD1 C 13 10.095 0.05 . 1 . . . . . . . . 6211 1 622 . 1 1 51 51 ILE HD11 H 1 0.498 0.02 . 1 . . . . . . . . 6211 1 623 . 1 1 51 51 ILE HD12 H 1 0.498 0.02 . 1 . . . . . . . . 6211 1 624 . 1 1 51 51 ILE HD13 H 1 0.498 0.02 . 1 . . . . . . . . 6211 1 625 . 1 1 51 51 ILE C C 13 179.749 0.05 . 1 . . . . . . . . 6211 1 626 . 1 1 52 52 SER N N 15 116.599 0.05 . 1 . . . . . . . . 6211 1 627 . 1 1 52 52 SER H H 1 8.241 0.02 . 1 . . . . . . . . 6211 1 628 . 1 1 52 52 SER CA C 13 62.207 0.05 . 1 . . . . . . . . 6211 1 629 . 1 1 52 52 SER HA H 1 4.138 0.02 . 1 . . . . . . . . 6211 1 630 . 1 1 52 52 SER CB C 13 62.507 0.05 . 1 . . . . . . . . 6211 1 631 . 1 1 52 52 SER HB2 H 1 3.921 0.02 . 2 . . . . . . . . 6211 1 632 . 1 1 52 52 SER C C 13 176.481 0.05 . 1 . . . . . . . . 6211 1 633 . 1 1 53 53 LEU N N 15 119.609 0.05 . 1 . . . . . . . . 6211 1 634 . 1 1 53 53 LEU H H 1 8.551 0.02 . 1 . . . . . . . . 6211 1 635 . 1 1 53 53 LEU CA C 13 57.946 0.05 . 1 . . . . . . . . 6211 1 636 . 1 1 53 53 LEU HA H 1 4.132 0.02 . 1 . . . . . . . . 6211 1 637 . 1 1 53 53 LEU CB C 13 43.498 0.05 . 1 . . . . . . . . 6211 1 638 . 1 1 53 53 LEU HB2 H 1 2.113 0.02 . 2 . . . . . . . . 6211 1 639 . 1 1 53 53 LEU HB3 H 1 1.280 0.02 . 2 . . . . . . . . 6211 1 640 . 1 1 53 53 LEU CG C 13 26.822 0.05 . 1 . . . . . . . . 6211 1 641 . 1 1 53 53 LEU HG H 1 1.983 0.02 . 1 . . . . . . . . 6211 1 642 . 1 1 53 53 LEU CD1 C 13 25.028 0.05 . 2 . . . . . . . . 6211 1 643 . 1 1 53 53 LEU HD11 H 1 0.949 0.02 . 2 . . . . . . . . 6211 1 644 . 1 1 53 53 LEU HD12 H 1 0.949 0.02 . 2 . . . . . . . . 6211 1 645 . 1 1 53 53 LEU HD13 H 1 0.949 0.02 . 2 . . . . . . . . 6211 1 646 . 1 1 53 53 LEU CD2 C 13 25.631 0.05 . 2 . . . . . . . . 6211 1 647 . 1 1 53 53 LEU HD21 H 1 0.889 0.02 . 2 . . . . . . . . 6211 1 648 . 1 1 53 53 LEU HD22 H 1 0.889 0.02 . 2 . . . . . . . . 6211 1 649 . 1 1 53 53 LEU HD23 H 1 0.889 0.02 . 2 . . . . . . . . 6211 1 650 . 1 1 53 53 LEU C C 13 182.009 0.05 . 1 . . . . . . . . 6211 1 651 . 1 1 54 54 LEU N N 15 118.917 0.05 . 1 . . . . . . . . 6211 1 652 . 1 1 54 54 LEU H H 1 9.085 0.02 . 1 . . . . . . . . 6211 1 653 . 1 1 54 54 LEU CA C 13 57.807 0.05 . 1 . . . . . . . . 6211 1 654 . 1 1 54 54 LEU HA H 1 4.135 0.02 . 1 . . . . . . . . 6211 1 655 . 1 1 54 54 LEU CB C 13 43.342 0.05 . 1 . . . . . . . . 6211 1 656 . 1 1 54 54 LEU HB2 H 1 2.061 0.02 . 2 . . . . . . . . 6211 1 657 . 1 1 54 54 LEU HB3 H 1 1.345 0.02 . 2 . . . . . . . . 6211 1 658 . 1 1 54 54 LEU CG C 13 26.810 0.05 . 1 . . . . . . . . 6211 1 659 . 1 1 54 54 LEU HG H 1 2.256 0.02 . 1 . . . . . . . . 6211 1 660 . 1 1 54 54 LEU CD1 C 13 26.563 0.05 . 2 . . . . . . . . 6211 1 661 . 1 1 54 54 LEU HD11 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 662 . 1 1 54 54 LEU HD12 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 663 . 1 1 54 54 LEU HD13 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 664 . 1 1 54 54 LEU CD2 C 13 23.764 0.05 . 2 . . . . . . . . 6211 1 665 . 1 1 54 54 LEU HD21 H 1 0.855 0.02 . 2 . . . . . . . . 6211 1 666 . 1 1 54 54 LEU HD22 H 1 0.855 0.02 . 2 . . . . . . . . 6211 1 667 . 1 1 54 54 LEU HD23 H 1 0.855 0.02 . 2 . . . . . . . . 6211 1 668 . 1 1 54 54 LEU C C 13 178.898 0.05 . 1 . . . . . . . . 6211 1 669 . 1 1 55 55 SER N N 15 114.775 0.05 . 1 . . . . . . . . 6211 1 670 . 1 1 55 55 SER H H 1 8.676 0.02 . 1 . . . . . . . . 6211 1 671 . 1 1 55 55 SER HA H 1 4.200 0.02 . 1 . . . . . . . . 6211 1 672 . 1 1 55 55 SER HB2 H 1 4.130 0.02 . 2 . . . . . . . . 6211 1 673 . 1 1 55 55 SER HB3 H 1 3.970 0.02 . 2 . . . . . . . . 6211 1 674 . 1 1 55 55 SER C C 13 177.602 0.05 . 1 . . . . . . . . 6211 1 675 . 1 1 56 56 ARG N N 15 121.489 0.05 . 1 . . . . . . . . 6211 1 676 . 1 1 56 56 ARG H H 1 8.769 0.02 . 1 . . . . . . . . 6211 1 677 . 1 1 56 56 ARG CA C 13 59.184 0.05 . 1 . . . . . . . . 6211 1 678 . 1 1 56 56 ARG HA H 1 4.194 0.02 . 1 . . . . . . . . 6211 1 679 . 1 1 56 56 ARG CB C 13 30.012 0.05 . 1 . . . . . . . . 6211 1 680 . 1 1 56 56 ARG HB2 H 1 2.024 0.02 . 2 . . . . . . . . 6211 1 681 . 1 1 56 56 ARG HG2 H 1 1.800 0.02 . 2 . . . . . . . . 6211 1 682 . 1 1 56 56 ARG CD C 13 43.345 0.05 . 1 . . . . . . . . 6211 1 683 . 1 1 56 56 ARG HD2 H 1 3.261 0.02 . 2 . . . . . . . . 6211 1 684 . 1 1 56 56 ARG HD3 H 1 3.204 0.02 . 2 . . . . . . . . 6211 1 685 . 1 1 56 56 ARG C C 13 179.371 0.05 . 1 . . . . . . . . 6211 1 686 . 1 1 57 57 GLY N N 15 109.503 0.05 . 1 . . . . . . . . 6211 1 687 . 1 1 57 57 GLY H H 1 8.597 0.02 . 1 . . . . . . . . 6211 1 688 . 1 1 57 57 GLY CA C 13 47.537 0.05 . 1 . . . . . . . . 6211 1 689 . 1 1 57 57 GLY HA2 H 1 4.301 0.02 . 2 . . . . . . . . 6211 1 690 . 1 1 57 57 GLY HA3 H 1 4.001 0.02 . 2 . . . . . . . . 6211 1 691 . 1 1 57 57 GLY C C 13 175.474 0.05 . 1 . . . . . . . . 6211 1 692 . 1 1 58 58 ILE N N 15 120.585 0.05 . 1 . . . . . . . . 6211 1 693 . 1 1 58 58 ILE H H 1 8.784 0.02 . 1 . . . . . . . . 6211 1 694 . 1 1 58 58 ILE CA C 13 66.180 0.05 . 1 . . . . . . . . 6211 1 695 . 1 1 58 58 ILE HA H 1 3.689 0.02 . 1 . . . . . . . . 6211 1 696 . 1 1 58 58 ILE CB C 13 37.403 0.05 . 1 . . . . . . . . 6211 1 697 . 1 1 58 58 ILE HB H 1 2.033 0.02 . 1 . . . . . . . . 6211 1 698 . 1 1 58 58 ILE CG1 C 13 30.860 0.05 . 1 . . . . . . . . 6211 1 699 . 1 1 58 58 ILE HG12 H 1 2.070 0.02 . 2 . . . . . . . . 6211 1 700 . 1 1 58 58 ILE CG2 C 13 16.931 0.05 . 1 . . . . . . . . 6211 1 701 . 1 1 58 58 ILE HG21 H 1 0.629 0.02 . 1 . . . . . . . . 6211 1 702 . 1 1 58 58 ILE HG22 H 1 0.629 0.02 . 1 . . . . . . . . 6211 1 703 . 1 1 58 58 ILE HG23 H 1 0.629 0.02 . 1 . . . . . . . . 6211 1 704 . 1 1 58 58 ILE CD1 C 13 14.134 0.05 . 1 . . . . . . . . 6211 1 705 . 1 1 58 58 ILE HD11 H 1 1.032 0.02 . 1 . . . . . . . . 6211 1 706 . 1 1 58 58 ILE HD12 H 1 1.032 0.02 . 1 . . . . . . . . 6211 1 707 . 1 1 58 58 ILE HD13 H 1 1.032 0.02 . 1 . . . . . . . . 6211 1 708 . 1 1 58 58 ILE C C 13 177.453 0.05 . 1 . . . . . . . . 6211 1 709 . 1 1 59 59 SER N N 15 112.992 0.05 . 1 . . . . . . . . 6211 1 710 . 1 1 59 59 SER H H 1 7.677 0.02 . 1 . . . . . . . . 6211 1 711 . 1 1 59 59 SER HA H 1 4.010 0.02 . 1 . . . . . . . . 6211 1 712 . 1 1 59 59 SER HB2 H 1 4.140 0.02 . 2 . . . . . . . . 6211 1 713 . 1 1 59 59 SER C C 13 176.022 0.05 . 1 . . . . . . . . 6211 1 714 . 1 1 60 60 SER N N 15 115.270 0.05 . 1 . . . . . . . . 6211 1 715 . 1 1 60 60 SER H H 1 8.293 0.02 . 1 . . . . . . . . 6211 1 716 . 1 1 60 60 SER CA C 13 61.403 0.05 . 1 . . . . . . . . 6211 1 717 . 1 1 60 60 SER HA H 1 4.268 0.02 . 1 . . . . . . . . 6211 1 718 . 1 1 60 60 SER CB C 13 62.636 0.05 . 1 . . . . . . . . 6211 1 719 . 1 1 60 60 SER HB2 H 1 4.163 0.02 . 2 . . . . . . . . 6211 1 720 . 1 1 60 60 SER C C 13 177.726 0.05 . 1 . . . . . . . . 6211 1 721 . 1 1 61 61 TYR N N 15 123.708 0.05 . 1 . . . . . . . . 6211 1 722 . 1 1 61 61 TYR H H 1 8.247 0.02 . 1 . . . . . . . . 6211 1 723 . 1 1 61 61 TYR CA C 13 62.455 0.05 . 1 . . . . . . . . 6211 1 724 . 1 1 61 61 TYR HA H 1 3.916 0.02 . 1 . . . . . . . . 6211 1 725 . 1 1 61 61 TYR CB C 13 39.049 0.05 . 1 . . . . . . . . 6211 1 726 . 1 1 61 61 TYR HB2 H 1 3.029 0.02 . 2 . . . . . . . . 6211 1 727 . 1 1 61 61 TYR CE1 C 13 118.090 0.05 . 3 . . . . . . . . 6211 1 728 . 1 1 61 61 TYR HE1 H 1 6.564 0.02 . 3 . . . . . . . . 6211 1 729 . 1 1 62 62 TYR HE1 H 1 6.730 0.02 . 3 . . . . . . . . 6211 1 730 . 1 1 63 63 LEU CA C 13 57.014 0.05 . 1 . . . . . . . . 6211 1 731 . 1 1 63 63 LEU HA H 1 4.080 0.02 . 1 . . . . . . . . 6211 1 732 . 1 1 63 63 LEU CB C 13 41.840 0.05 . 1 . . . . . . . . 6211 1 733 . 1 1 63 63 LEU HB2 H 1 1.970 0.02 . 2 . . . . . . . . 6211 1 734 . 1 1 63 63 LEU HB3 H 1 1.580 0.02 . 2 . . . . . . . . 6211 1 735 . 1 1 63 63 LEU CG C 13 26.914 0.05 . 1 . . . . . . . . 6211 1 736 . 1 1 63 63 LEU HG H 1 1.983 0.02 . 1 . . . . . . . . 6211 1 737 . 1 1 63 63 LEU CD1 C 13 22.565 0.05 . 2 . . . . . . . . 6211 1 738 . 1 1 63 63 LEU HD11 H 1 0.978 0.02 . 2 . . . . . . . . 6211 1 739 . 1 1 63 63 LEU HD12 H 1 0.978 0.02 . 2 . . . . . . . . 6211 1 740 . 1 1 63 63 LEU HD13 H 1 0.978 0.02 . 2 . . . . . . . . 6211 1 741 . 1 1 63 63 LEU CD2 C 13 25.165 0.05 . 2 . . . . . . . . 6211 1 742 . 1 1 63 63 LEU HD21 H 1 0.941 0.02 . 2 . . . . . . . . 6211 1 743 . 1 1 63 63 LEU HD22 H 1 0.941 0.02 . 2 . . . . . . . . 6211 1 744 . 1 1 63 63 LEU HD23 H 1 0.941 0.02 . 2 . . . . . . . . 6211 1 745 . 1 1 63 63 LEU C C 13 179.283 0.05 . 1 . . . . . . . . 6211 1 746 . 1 1 64 64 SER N N 15 111.892 0.05 . 1 . . . . . . . . 6211 1 747 . 1 1 64 64 SER H H 1 7.811 0.02 . 1 . . . . . . . . 6211 1 748 . 1 1 64 64 SER CA C 13 59.189 0.05 . 1 . . . . . . . . 6211 1 749 . 1 1 64 64 SER HA H 1 4.418 0.02 . 1 . . . . . . . . 6211 1 750 . 1 1 64 64 SER CB C 13 63.850 0.05 . 1 . . . . . . . . 6211 1 751 . 1 1 64 64 SER HB2 H 1 3.880 0.02 . 2 . . . . . . . . 6211 1 752 . 1 1 64 64 SER HB3 H 1 3.767 0.02 . 2 . . . . . . . . 6211 1 753 . 1 1 64 64 SER C C 13 174.596 0.05 . 1 . . . . . . . . 6211 1 754 . 1 1 65 65 HIS N N 15 119.737 0.05 . 1 . . . . . . . . 6211 1 755 . 1 1 65 65 HIS H H 1 7.515 0.02 . 1 . . . . . . . . 6211 1 756 . 1 1 65 65 HIS CA C 13 55.918 0.05 . 1 . . . . . . . . 6211 1 757 . 1 1 65 65 HIS HA H 1 4.615 0.02 . 1 . . . . . . . . 6211 1 758 . 1 1 65 65 HIS CB C 13 27.565 0.05 . 1 . . . . . . . . 6211 1 759 . 1 1 65 65 HIS HB2 H 1 3.342 0.02 . 2 . . . . . . . . 6211 1 760 . 1 1 65 65 HIS HB3 H 1 2.456 0.02 . 2 . . . . . . . . 6211 1 761 . 1 1 65 65 HIS CE1 C 13 135.809 0.05 . 1 . . . . . . . . 6211 1 762 . 1 1 65 65 HIS HE1 H 1 7.999 0.02 . 1 . . . . . . . . 6211 1 763 . 1 1 66 66 LYS N N 15 117.221 0.05 . 1 . . . . . . . . 6211 1 764 . 1 1 66 66 LYS H H 1 8.419 0.02 . 1 . . . . . . . . 6211 1 765 . 1 1 66 66 LYS CA C 13 56.765 0.05 . 1 . . . . . . . . 6211 1 766 . 1 1 66 66 LYS HA H 1 3.880 0.02 . 1 . . . . . . . . 6211 1 767 . 1 1 66 66 LYS CB C 13 30.130 0.05 . 1 . . . . . . . . 6211 1 768 . 1 1 66 66 LYS HB2 H 1 1.879 0.02 . 2 . . . . . . . . 6211 1 769 . 1 1 66 66 LYS CG C 13 25.009 0.05 . 1 . . . . . . . . 6211 1 770 . 1 1 66 66 LYS HG2 H 1 1.293 0.02 . 2 . . . . . . . . 6211 1 771 . 1 1 66 66 LYS CD C 13 29.052 0.05 . 1 . . . . . . . . 6211 1 772 . 1 1 66 66 LYS HD2 H 1 1.714 0.02 . 2 . . . . . . . . 6211 1 773 . 1 1 66 66 LYS HD3 H 1 1.644 0.02 . 2 . . . . . . . . 6211 1 774 . 1 1 66 66 LYS CE C 13 42.089 0.05 . 1 . . . . . . . . 6211 1 775 . 1 1 66 66 LYS HE2 H 1 2.980 0.02 . 2 . . . . . . . . 6211 1 776 . 1 1 67 67 ARG HA H 1 4.080 0.02 . 1 . . . . . . . . 6211 1 777 . 1 1 67 67 ARG HB2 H 1 1.900 0.02 . 2 . . . . . . . . 6211 1 778 . 1 1 67 67 ARG HB3 H 1 1.700 0.02 . 2 . . . . . . . . 6211 1 779 . 1 1 67 67 ARG HG2 H 1 1.340 0.02 . 2 . . . . . . . . 6211 1 780 . 1 1 67 67 ARG HG3 H 1 0.960 0.02 . 2 . . . . . . . . 6211 1 781 . 1 1 67 67 ARG CD C 13 43.342 0.05 . 1 . . . . . . . . 6211 1 782 . 1 1 67 67 ARG HD2 H 1 3.155 0.02 . 2 . . . . . . . . 6211 1 783 . 1 1 68 68 ILE C C 13 176.942 0.05 . 1 . . . . . . . . 6211 1 784 . 1 1 69 69 ILE N N 15 124.816 0.05 . 1 . . . . . . . . 6211 1 785 . 1 1 69 69 ILE H H 1 8.225 0.02 . 1 . . . . . . . . 6211 1 786 . 1 1 69 69 ILE CA C 13 60.277 0.05 . 1 . . . . . . . . 6211 1 787 . 1 1 69 69 ILE HA H 1 4.366 0.02 . 1 . . . . . . . . 6211 1 788 . 1 1 69 69 ILE CB C 13 38.371 0.05 . 1 . . . . . . . . 6211 1 789 . 1 1 69 69 ILE HB H 1 1.970 0.02 . 1 . . . . . . . . 6211 1 790 . 1 1 69 69 ILE CG1 C 13 26.785 0.05 . 1 . . . . . . . . 6211 1 791 . 1 1 69 69 ILE HG12 H 1 1.588 0.02 . 2 . . . . . . . . 6211 1 792 . 1 1 69 69 ILE HG13 H 1 1.236 0.02 . 2 . . . . . . . . 6211 1 793 . 1 1 69 69 ILE CG2 C 13 17.397 0.05 . 1 . . . . . . . . 6211 1 794 . 1 1 69 69 ILE HG21 H 1 0.941 0.02 . 1 . . . . . . . . 6211 1 795 . 1 1 69 69 ILE HG22 H 1 0.941 0.02 . 1 . . . . . . . . 6211 1 796 . 1 1 69 69 ILE HG23 H 1 0.941 0.02 . 1 . . . . . . . . 6211 1 797 . 1 1 69 69 ILE CD1 C 13 12.270 0.05 . 1 . . . . . . . . 6211 1 798 . 1 1 69 69 ILE HD11 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 799 . 1 1 69 69 ILE HD12 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 800 . 1 1 69 69 ILE HD13 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 801 . 1 1 70 70 PRO N N 15 123.322 0.05 . 1 . . . . . . . . 6211 1 802 . 1 1 70 70 PRO CA C 13 63.229 0.05 . 1 . . . . . . . . 6211 1 803 . 1 1 70 70 PRO HA H 1 4.548 0.02 . 1 . . . . . . . . 6211 1 804 . 1 1 70 70 PRO CB C 13 32.467 0.05 . 1 . . . . . . . . 6211 1 805 . 1 1 70 70 PRO HB2 H 1 2.582 0.02 . 2 . . . . . . . . 6211 1 806 . 1 1 70 70 PRO HB3 H 1 1.630 0.02 . 2 . . . . . . . . 6211 1 807 . 1 1 70 70 PRO CG C 13 28.427 0.05 . 1 . . . . . . . . 6211 1 808 . 1 1 70 70 PRO HG2 H 1 1.631 0.02 . 2 . . . . . . . . 6211 1 809 . 1 1 70 70 PRO HG3 H 1 1.940 0.02 . 2 . . . . . . . . 6211 1 810 . 1 1 70 70 PRO CD C 13 51.576 0.05 . 1 . . . . . . . . 6211 1 811 . 1 1 70 70 PRO HD2 H 1 4.001 0.02 . 2 . . . . . . . . 6211 1 812 . 1 1 70 70 PRO HD3 H 1 3.182 0.02 . 2 . . . . . . . . 6211 1 813 . 1 1 70 70 PRO C C 13 178.045 0.05 . 1 . . . . . . . . 6211 1 814 . 1 1 71 71 SER N N 15 123.299 0.05 . 1 . . . . . . . . 6211 1 815 . 1 1 71 71 SER H H 1 9.354 0.02 . 1 . . . . . . . . 6211 1 816 . 1 1 71 71 SER CA C 13 62.452 0.05 . 1 . . . . . . . . 6211 1 817 . 1 1 71 71 SER HA H 1 4.040 0.02 . 1 . . . . . . . . 6211 1 818 . 1 1 71 71 SER HB2 H 1 4.150 0.02 . 2 . . . . . . . . 6211 1 819 . 1 1 71 71 SER C C 13 176.618 0.05 . 1 . . . . . . . . 6211 1 820 . 1 1 72 72 SER N N 15 116.994 0.05 . 1 . . . . . . . . 6211 1 821 . 1 1 72 72 SER H H 1 8.792 0.02 . 1 . . . . . . . . 6211 1 822 . 1 1 72 72 SER CA C 13 61.054 0.05 . 1 . . . . . . . . 6211 1 823 . 1 1 72 72 SER HA H 1 4.171 0.02 . 1 . . . . . . . . 6211 1 824 . 1 1 72 72 SER CB C 13 61.215 0.05 . 1 . . . . . . . . 6211 1 825 . 1 1 72 72 SER HB2 H 1 4.040 0.02 . 2 . . . . . . . . 6211 1 826 . 1 1 72 72 SER HB3 H 1 3.714 0.02 . 2 . . . . . . . . 6211 1 827 . 1 1 72 72 SER C C 13 177.576 0.05 . 1 . . . . . . . . 6211 1 828 . 1 1 73 73 MET N N 15 118.097 0.05 . 1 . . . . . . . . 6211 1 829 . 1 1 73 73 MET H H 1 7.231 0.02 . 1 . . . . . . . . 6211 1 830 . 1 1 73 73 MET CA C 13 54.690 0.05 . 1 . . . . . . . . 6211 1 831 . 1 1 73 73 MET HA H 1 4.752 0.02 . 1 . . . . . . . . 6211 1 832 . 1 1 73 73 MET CB C 13 30.675 0.05 . 1 . . . . . . . . 6211 1 833 . 1 1 73 73 MET HB2 H 1 1.880 0.02 . 2 . . . . . . . . 6211 1 834 . 1 1 73 73 MET HB3 H 1 2.050 0.02 . 2 . . . . . . . . 6211 1 835 . 1 1 73 73 MET CG C 13 31.951 0.05 . 1 . . . . . . . . 6211 1 836 . 1 1 73 73 MET HG2 H 1 2.549 0.02 . 2 . . . . . . . . 6211 1 837 . 1 1 73 73 MET HG3 H 1 2.455 0.02 . 2 . . . . . . . . 6211 1 838 . 1 1 73 73 MET CE C 13 15.843 0.05 . 1 . . . . . . . . 6211 1 839 . 1 1 73 73 MET HE1 H 1 1.866 0.02 . 1 . . . . . . . . 6211 1 840 . 1 1 73 73 MET HE2 H 1 1.866 0.02 . 1 . . . . . . . . 6211 1 841 . 1 1 73 73 MET HE3 H 1 1.866 0.02 . 1 . . . . . . . . 6211 1 842 . 1 1 74 74 LEU CA C 13 57.945 0.05 . 1 . . . . . . . . 6211 1 843 . 1 1 74 74 LEU HA H 1 4.102 0.02 . 1 . . . . . . . . 6211 1 844 . 1 1 74 74 LEU CB C 13 40.701 0.05 . 1 . . . . . . . . 6211 1 845 . 1 1 74 74 LEU HB2 H 1 1.918 0.02 . 2 . . . . . . . . 6211 1 846 . 1 1 74 74 LEU HB3 H 1 1.592 0.02 . 2 . . . . . . . . 6211 1 847 . 1 1 74 74 LEU CG C 13 26.718 0.05 . 1 . . . . . . . . 6211 1 848 . 1 1 74 74 LEU HG H 1 1.553 0.02 . 1 . . . . . . . . 6211 1 849 . 1 1 74 74 LEU CD1 C 13 23.639 0.05 . 2 . . . . . . . . 6211 1 850 . 1 1 74 74 LEU HD11 H 1 0.766 0.02 . 2 . . . . . . . . 6211 1 851 . 1 1 74 74 LEU HD12 H 1 0.766 0.02 . 2 . . . . . . . . 6211 1 852 . 1 1 74 74 LEU HD13 H 1 0.766 0.02 . 2 . . . . . . . . 6211 1 853 . 1 1 74 74 LEU CD2 C 13 24.077 0.05 . 2 . . . . . . . . 6211 1 854 . 1 1 74 74 LEU HD21 H 1 0.720 0.02 . 2 . . . . . . . . 6211 1 855 . 1 1 74 74 LEU HD22 H 1 0.720 0.02 . 2 . . . . . . . . 6211 1 856 . 1 1 74 74 LEU HD23 H 1 0.720 0.02 . 2 . . . . . . . . 6211 1 857 . 1 1 74 74 LEU C C 13 179.594 0.05 . 1 . . . . . . . . 6211 1 858 . 1 1 75 75 THR N N 15 117.069 0.05 . 1 . . . . . . . . 6211 1 859 . 1 1 75 75 THR H H 1 8.599 0.02 . 1 . . . . . . . . 6211 1 860 . 1 1 75 75 THR CA C 13 66.647 0.05 . 1 . . . . . . . . 6211 1 861 . 1 1 75 75 THR HA H 1 3.962 0.02 . 1 . . . . . . . . 6211 1 862 . 1 1 75 75 THR CB C 13 68.666 0.05 . 1 . . . . . . . . 6211 1 863 . 1 1 75 75 THR HB H 1 4.236 0.02 . 1 . . . . . . . . 6211 1 864 . 1 1 75 75 THR CG2 C 13 21.747 0.05 . 1 . . . . . . . . 6211 1 865 . 1 1 75 75 THR HG21 H 1 1.267 0.02 . 1 . . . . . . . . 6211 1 866 . 1 1 75 75 THR HG22 H 1 1.267 0.02 . 1 . . . . . . . . 6211 1 867 . 1 1 75 75 THR HG23 H 1 1.267 0.02 . 1 . . . . . . . . 6211 1 868 . 1 1 75 75 THR C C 13 176.439 0.05 . 1 . . . . . . . . 6211 1 869 . 1 1 76 76 ILE N N 15 120.754 0.05 . 1 . . . . . . . . 6211 1 870 . 1 1 76 76 ILE H H 1 6.872 0.02 . 1 . . . . . . . . 6211 1 871 . 1 1 76 76 ILE CA C 13 64.938 0.05 . 1 . . . . . . . . 6211 1 872 . 1 1 76 76 ILE HA H 1 3.780 0.02 . 1 . . . . . . . . 6211 1 873 . 1 1 76 76 ILE CB C 13 38.353 0.05 . 1 . . . . . . . . 6211 1 874 . 1 1 76 76 ILE HB H 1 2.043 0.02 . 1 . . . . . . . . 6211 1 875 . 1 1 76 76 ILE CG1 C 13 29.566 0.05 . 1 . . . . . . . . 6211 1 876 . 1 1 76 76 ILE HG12 H 1 1.940 0.02 . 2 . . . . . . . . 6211 1 877 . 1 1 76 76 ILE HG13 H 1 1.023 0.02 . 2 . . . . . . . . 6211 1 878 . 1 1 76 76 ILE CG2 C 13 17.611 0.05 . 1 . . . . . . . . 6211 1 879 . 1 1 76 76 ILE HG21 H 1 0.939 0.02 . 1 . . . . . . . . 6211 1 880 . 1 1 76 76 ILE HG22 H 1 0.939 0.02 . 1 . . . . . . . . 6211 1 881 . 1 1 76 76 ILE HG23 H 1 0.939 0.02 . 1 . . . . . . . . 6211 1 882 . 1 1 76 76 ILE CD1 C 13 13.734 0.05 . 1 . . . . . . . . 6211 1 883 . 1 1 76 76 ILE HD11 H 1 0.933 0.02 . 1 . . . . . . . . 6211 1 884 . 1 1 76 76 ILE HD12 H 1 0.933 0.02 . 1 . . . . . . . . 6211 1 885 . 1 1 76 76 ILE HD13 H 1 0.933 0.02 . 1 . . . . . . . . 6211 1 886 . 1 1 76 76 ILE C C 13 176.984 0.05 . 1 . . . . . . . . 6211 1 887 . 1 1 77 77 TYR N N 15 119.929 0.05 . 1 . . . . . . . . 6211 1 888 . 1 1 77 77 TYR H H 1 8.190 0.02 . 1 . . . . . . . . 6211 1 889 . 1 1 77 77 TYR CA C 13 62.517 0.05 . 1 . . . . . . . . 6211 1 890 . 1 1 77 77 TYR HA H 1 3.966 0.02 . 1 . . . . . . . . 6211 1 891 . 1 1 77 77 TYR CB C 13 39.345 0.05 . 1 . . . . . . . . 6211 1 892 . 1 1 77 77 TYR HB2 H 1 3.258 0.02 . 2 . . . . . . . . 6211 1 893 . 1 1 77 77 TYR HB3 H 1 3.156 0.02 . 2 . . . . . . . . 6211 1 894 . 1 1 77 77 TYR CD1 C 13 132.274 0.05 . 3 . . . . . . . . 6211 1 895 . 1 1 77 77 TYR HD1 H 1 6.943 0.02 . 3 . . . . . . . . 6211 1 896 . 1 1 77 77 TYR CE1 C 13 118.514 0.05 . 3 . . . . . . . . 6211 1 897 . 1 1 77 77 TYR HE1 H 1 6.941 0.02 . 3 . . . . . . . . 6211 1 898 . 1 1 77 77 TYR C C 13 177.285 0.05 . 1 . . . . . . . . 6211 1 899 . 1 1 78 78 THR N N 15 113.842 0.05 . 1 . . . . . . . . 6211 1 900 . 1 1 78 78 THR H H 1 9.153 0.02 . 1 . . . . . . . . 6211 1 901 . 1 1 78 78 THR CA C 13 66.180 0.05 . 1 . . . . . . . . 6211 1 902 . 1 1 78 78 THR HA H 1 3.897 0.02 . 1 . . . . . . . . 6211 1 903 . 1 1 78 78 THR CB C 13 68.666 0.05 . 1 . . . . . . . . 6211 1 904 . 1 1 78 78 THR HB H 1 4.327 0.02 . 1 . . . . . . . . 6211 1 905 . 1 1 78 78 THR CG2 C 13 21.747 0.05 . 1 . . . . . . . . 6211 1 906 . 1 1 78 78 THR HG21 H 1 1.358 0.02 . 1 . . . . . . . . 6211 1 907 . 1 1 78 78 THR HG22 H 1 1.358 0.02 . 1 . . . . . . . . 6211 1 908 . 1 1 78 78 THR HG23 H 1 1.358 0.02 . 1 . . . . . . . . 6211 1 909 . 1 1 78 78 THR C C 13 176.799 0.05 . 1 . . . . . . . . 6211 1 910 . 1 1 79 79 GLN N N 15 123.369 0.05 . 1 . . . . . . . . 6211 1 911 . 1 1 79 79 GLN H H 1 7.890 0.02 . 1 . . . . . . . . 6211 1 912 . 1 1 79 79 GLN CA C 13 58.723 0.05 . 1 . . . . . . . . 6211 1 913 . 1 1 79 79 GLN HA H 1 3.975 0.02 . 1 . . . . . . . . 6211 1 914 . 1 1 79 79 GLN CB C 13 27.651 0.05 . 1 . . . . . . . . 6211 1 915 . 1 1 79 79 GLN HB2 H 1 2.282 0.02 . 2 . . . . . . . . 6211 1 916 . 1 1 79 79 GLN CG C 13 33.244 0.05 . 1 . . . . . . . . 6211 1 917 . 1 1 79 79 GLN HG2 H 1 2.413 0.02 . 2 . . . . . . . . 6211 1 918 . 1 1 79 79 GLN NE2 N 15 114.577 0.05 . 1 . . . . . . . . 6211 1 919 . 1 1 79 79 GLN HE21 H 1 7.741 0.02 . 2 . . . . . . . . 6211 1 920 . 1 1 79 79 GLN HE22 H 1 6.701 0.02 . 2 . . . . . . . . 6211 1 921 . 1 1 79 79 GLN C C 13 177.788 0.05 . 1 . . . . . . . . 6211 1 922 . 1 1 80 80 ILE N N 15 119.949 0.05 . 1 . . . . . . . . 6211 1 923 . 1 1 80 80 ILE H H 1 7.919 0.02 . 1 . . . . . . . . 6211 1 924 . 1 1 80 80 ILE CA C 13 65.714 0.05 . 1 . . . . . . . . 6211 1 925 . 1 1 80 80 ILE HA H 1 3.767 0.02 . 1 . . . . . . . . 6211 1 926 . 1 1 80 80 ILE CB C 13 37.716 0.05 . 1 . . . . . . . . 6211 1 927 . 1 1 80 80 ILE HB H 1 1.861 0.02 . 1 . . . . . . . . 6211 1 928 . 1 1 80 80 ILE CG1 C 13 28.749 0.05 . 1 . . . . . . . . 6211 1 929 . 1 1 80 80 ILE HG12 H 1 1.970 0.02 . 2 . . . . . . . . 6211 1 930 . 1 1 80 80 ILE HG13 H 1 1.027 0.02 . 2 . . . . . . . . 6211 1 931 . 1 1 80 80 ILE CG2 C 13 17.075 0.05 . 1 . . . . . . . . 6211 1 932 . 1 1 80 80 ILE HG21 H 1 0.771 0.02 . 1 . . . . . . . . 6211 1 933 . 1 1 80 80 ILE HG22 H 1 0.771 0.02 . 1 . . . . . . . . 6211 1 934 . 1 1 80 80 ILE HG23 H 1 0.771 0.02 . 1 . . . . . . . . 6211 1 935 . 1 1 80 80 ILE CD1 C 13 14.911 0.05 . 1 . . . . . . . . 6211 1 936 . 1 1 80 80 ILE HD11 H 1 0.850 0.02 . 1 . . . . . . . . 6211 1 937 . 1 1 80 80 ILE HD12 H 1 0.850 0.02 . 1 . . . . . . . . 6211 1 938 . 1 1 80 80 ILE HD13 H 1 0.850 0.02 . 1 . . . . . . . . 6211 1 939 . 1 1 80 80 ILE C C 13 177.648 0.05 . 1 . . . . . . . . 6211 1 940 . 1 1 81 81 GLN N N 15 116.118 0.05 . 1 . . . . . . . . 6211 1 941 . 1 1 81 81 GLN H H 1 7.871 0.02 . 1 . . . . . . . . 6211 1 942 . 1 1 81 81 GLN CA C 13 58.723 0.05 . 1 . . . . . . . . 6211 1 943 . 1 1 81 81 GLN HA H 1 3.767 0.02 . 1 . . . . . . . . 6211 1 944 . 1 1 81 81 GLN CB C 13 27.961 0.05 . 1 . . . . . . . . 6211 1 945 . 1 1 81 81 GLN HB2 H 1 2.035 0.02 . 2 . . . . . . . . 6211 1 946 . 1 1 81 81 GLN CG C 13 33.545 0.05 . 1 . . . . . . . . 6211 1 947 . 1 1 81 81 GLN HG2 H 1 2.129 0.02 . 2 . . . . . . . . 6211 1 948 . 1 1 81 81 GLN HG3 H 1 1.892 0.02 . 2 . . . . . . . . 6211 1 949 . 1 1 81 81 GLN NE2 N 15 110.985 0.05 . 1 . . . . . . . . 6211 1 950 . 1 1 81 81 GLN HE21 H 1 6.133 0.02 . 2 . . . . . . . . 6211 1 951 . 1 1 81 81 GLN HE22 H 1 6.170 0.02 . 2 . . . . . . . . 6211 1 952 . 1 1 81 81 GLN C C 13 179.328 0.05 . 1 . . . . . . . . 6211 1 953 . 1 1 82 82 LYS N N 15 121.404 0.05 . 1 . . . . . . . . 6211 1 954 . 1 1 82 82 LYS H H 1 8.169 0.02 . 1 . . . . . . . . 6211 1 955 . 1 1 82 82 LYS CA C 13 59.811 0.05 . 1 . . . . . . . . 6211 1 956 . 1 1 82 82 LYS HA H 1 4.005 0.02 . 1 . . . . . . . . 6211 1 957 . 1 1 82 82 LYS CB C 13 32.525 0.05 . 1 . . . . . . . . 6211 1 958 . 1 1 82 82 LYS HB2 H 1 1.977 0.02 . 2 . . . . . . . . 6211 1 959 . 1 1 82 82 LYS HB3 H 1 1.928 0.02 . 2 . . . . . . . . 6211 1 960 . 1 1 82 82 LYS CG C 13 25.301 0.05 . 1 . . . . . . . . 6211 1 961 . 1 1 82 82 LYS HG2 H 1 1.629 0.02 . 2 . . . . . . . . 6211 1 962 . 1 1 82 82 LYS HG3 H 1 1.439 0.02 . 2 . . . . . . . . 6211 1 963 . 1 1 82 82 LYS CD C 13 29.054 0.05 . 1 . . . . . . . . 6211 1 964 . 1 1 82 82 LYS HD2 H 1 1.693 0.02 . 2 . . . . . . . . 6211 1 965 . 1 1 82 82 LYS CE C 13 41.923 0.05 . 1 . . . . . . . . 6211 1 966 . 1 1 82 82 LYS HE2 H 1 2.970 0.02 . 2 . . . . . . . . 6211 1 967 . 1 1 82 82 LYS C C 13 178.394 0.05 . 1 . . . . . . . . 6211 1 968 . 1 1 83 83 ASP N N 15 121.051 0.05 . 1 . . . . . . . . 6211 1 969 . 1 1 83 83 ASP H H 1 8.329 0.02 . 1 . . . . . . . . 6211 1 970 . 1 1 83 83 ASP CA C 13 56.703 0.05 . 1 . . . . . . . . 6211 1 971 . 1 1 83 83 ASP HA H 1 4.965 0.02 . 1 . . . . . . . . 6211 1 972 . 1 1 83 83 ASP CB C 13 40.018 0.05 . 1 . . . . . . . . 6211 1 973 . 1 1 83 83 ASP HB2 H 1 3.066 0.02 . 2 . . . . . . . . 6211 1 974 . 1 1 83 83 ASP HB3 H 1 2.569 0.02 . 2 . . . . . . . . 6211 1 975 . 1 1 83 83 ASP C C 13 179.281 0.05 . 1 . . . . . . . . 6211 1 976 . 1 1 84 84 ILE N N 15 122.026 0.05 . 1 . . . . . . . . 6211 1 977 . 1 1 84 84 ILE H H 1 8.393 0.02 . 1 . . . . . . . . 6211 1 978 . 1 1 84 84 ILE CA C 13 65.092 0.05 . 1 . . . . . . . . 6211 1 979 . 1 1 84 84 ILE HA H 1 3.936 0.02 . 1 . . . . . . . . 6211 1 980 . 1 1 84 84 ILE CB C 13 38.241 0.05 . 1 . . . . . . . . 6211 1 981 . 1 1 84 84 ILE HB H 1 1.925 0.02 . 1 . . . . . . . . 6211 1 982 . 1 1 84 84 ILE CG1 C 13 30.061 0.05 . 1 . . . . . . . . 6211 1 983 . 1 1 84 84 ILE HG12 H 1 1.871 0.02 . 2 . . . . . . . . 6211 1 984 . 1 1 84 84 ILE HG13 H 1 0.707 0.02 . 2 . . . . . . . . 6211 1 985 . 1 1 84 84 ILE CG2 C 13 16.931 0.05 . 1 . . . . . . . . 6211 1 986 . 1 1 84 84 ILE HG21 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 987 . 1 1 84 84 ILE HG22 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 988 . 1 1 84 84 ILE HG23 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 989 . 1 1 84 84 ILE CD1 C 13 13.513 0.05 . 1 . . . . . . . . 6211 1 990 . 1 1 84 84 ILE HD11 H 1 0.668 0.02 . 1 . . . . . . . . 6211 1 991 . 1 1 84 84 ILE HD12 H 1 0.668 0.02 . 1 . . . . . . . . 6211 1 992 . 1 1 84 84 ILE HD13 H 1 0.668 0.02 . 1 . . . . . . . . 6211 1 993 . 1 1 84 84 ILE C C 13 179.416 0.05 . 1 . . . . . . . . 6211 1 994 . 1 1 85 85 LYS N N 15 121.687 0.05 . 1 . . . . . . . . 6211 1 995 . 1 1 85 85 LYS H H 1 8.046 0.02 . 1 . . . . . . . . 6211 1 996 . 1 1 85 85 LYS CA C 13 59.024 0.05 . 1 . . . . . . . . 6211 1 997 . 1 1 85 85 LYS HA H 1 4.153 0.02 . 1 . . . . . . . . 6211 1 998 . 1 1 85 85 LYS CB C 13 32.311 0.05 . 1 . . . . . . . . 6211 1 999 . 1 1 85 85 LYS HB2 H 1 1.983 0.02 . 2 . . . . . . . . 6211 1 1000 . 1 1 85 85 LYS CG C 13 25.009 0.05 . 1 . . . . . . . . 6211 1 1001 . 1 1 85 85 LYS HG2 H 1 1.592 0.02 . 2 . . . . . . . . 6211 1 1002 . 1 1 85 85 LYS HG3 H 1 1.527 0.02 . 2 . . . . . . . . 6211 1 1003 . 1 1 85 85 LYS CD C 13 29.054 0.05 . 1 . . . . . . . . 6211 1 1004 . 1 1 85 85 LYS HD2 H 1 1.739 0.02 . 2 . . . . . . . . 6211 1 1005 . 1 1 85 85 LYS CE C 13 41.789 0.05 . 1 . . . . . . . . 6211 1 1006 . 1 1 85 85 LYS HE2 H 1 3.012 0.02 . 2 . . . . . . . . 6211 1 1007 . 1 1 85 85 LYS C C 13 178.401 0.05 . 1 . . . . . . . . 6211 1 1008 . 1 1 86 86 ASN N N 15 113.899 0.05 . 1 . . . . . . . . 6211 1 1009 . 1 1 86 86 ASN H H 1 8.342 0.02 . 1 . . . . . . . . 6211 1 1010 . 1 1 86 86 ASN CA C 13 52.819 0.05 . 1 . . . . . . . . 6211 1 1011 . 1 1 86 86 ASN HA H 1 4.796 0.02 . 1 . . . . . . . . 6211 1 1012 . 1 1 86 86 ASN CB C 13 38.436 0.05 . 1 . . . . . . . . 6211 1 1013 . 1 1 86 86 ASN HB2 H 1 3.103 0.02 . 2 . . . . . . . . 6211 1 1014 . 1 1 86 86 ASN HB3 H 1 2.921 0.02 . 2 . . . . . . . . 6211 1 1015 . 1 1 86 86 ASN ND2 N 15 109.694 0.05 . 1 . . . . . . . . 6211 1 1016 . 1 1 86 86 ASN HD21 H 1 7.499 0.02 . 2 . . . . . . . . 6211 1 1017 . 1 1 86 86 ASN HD22 H 1 6.889 0.02 . 2 . . . . . . . . 6211 1 1018 . 1 1 86 86 ASN C C 13 176.432 0.05 . 1 . . . . . . . . 6211 1 1019 . 1 1 87 87 GLY N N 15 107.312 0.05 . 1 . . . . . . . . 6211 1 1020 . 1 1 87 87 GLY H H 1 7.673 0.02 . 1 . . . . . . . . 6211 1 1021 . 1 1 87 87 GLY CA C 13 45.828 0.05 . 1 . . . . . . . . 6211 1 1022 . 1 1 87 87 GLY HA2 H 1 4.301 0.02 . 2 . . . . . . . . 6211 1 1023 . 1 1 87 87 GLY HA3 H 1 4.040 0.02 . 2 . . . . . . . . 6211 1 1024 . 1 1 87 87 GLY C C 13 174.904 0.05 . 1 . . . . . . . . 6211 1 1025 . 1 1 88 88 ASN N N 15 120.203 0.05 . 1 . . . . . . . . 6211 1 1026 . 1 1 88 88 ASN H H 1 8.832 0.02 . 1 . . . . . . . . 6211 1 1027 . 1 1 88 88 ASN CA C 13 54.651 0.05 . 1 . . . . . . . . 6211 1 1028 . 1 1 88 88 ASN HA H 1 4.668 0.02 . 1 . . . . . . . . 6211 1 1029 . 1 1 88 88 ASN CB C 13 38.620 0.05 . 1 . . . . . . . . 6211 1 1030 . 1 1 88 88 ASN HB2 H 1 2.871 0.02 . 2 . . . . . . . . 6211 1 1031 . 1 1 88 88 ASN ND2 N 15 112.188 0.05 . 1 . . . . . . . . 6211 1 1032 . 1 1 88 88 ASN HD21 H 1 7.711 0.02 . 2 . . . . . . . . 6211 1 1033 . 1 1 88 88 ASN HD22 H 1 7.090 0.02 . 2 . . . . . . . . 6211 1 1034 . 1 1 88 88 ASN C C 13 176.072 0.05 . 1 . . . . . . . . 6211 1 1035 . 1 1 89 89 ILE N N 15 118.676 0.05 . 1 . . . . . . . . 6211 1 1036 . 1 1 89 89 ILE H H 1 7.550 0.02 . 1 . . . . . . . . 6211 1 1037 . 1 1 89 89 ILE CA C 13 60.121 0.05 . 1 . . . . . . . . 6211 1 1038 . 1 1 89 89 ILE HA H 1 4.210 0.02 . 1 . . . . . . . . 6211 1 1039 . 1 1 89 89 ILE CB C 13 40.701 0.05 . 1 . . . . . . . . 6211 1 1040 . 1 1 89 89 ILE HB H 1 1.436 0.02 . 1 . . . . . . . . 6211 1 1041 . 1 1 89 89 ILE CG1 C 13 29.234 0.05 . 1 . . . . . . . . 6211 1 1042 . 1 1 89 89 ILE HG12 H 1 1.663 0.02 . 2 . . . . . . . . 6211 1 1043 . 1 1 89 89 ILE HG13 H 1 1.190 0.02 . 2 . . . . . . . . 6211 1 1044 . 1 1 89 89 ILE CG2 C 13 17.397 0.05 . 1 . . . . . . . . 6211 1 1045 . 1 1 89 89 ILE HG21 H 1 0.772 0.02 . 1 . . . . . . . . 6211 1 1046 . 1 1 89 89 ILE HG22 H 1 0.772 0.02 . 1 . . . . . . . . 6211 1 1047 . 1 1 89 89 ILE HG23 H 1 0.772 0.02 . 1 . . . . . . . . 6211 1 1048 . 1 1 89 89 ILE CD1 C 13 15.377 0.05 . 1 . . . . . . . . 6211 1 1049 . 1 1 89 89 ILE HD11 H 1 1.045 0.02 . 1 . . . . . . . . 6211 1 1050 . 1 1 89 89 ILE HD12 H 1 1.045 0.02 . 1 . . . . . . . . 6211 1 1051 . 1 1 89 89 ILE HD13 H 1 1.045 0.02 . 1 . . . . . . . . 6211 1 1052 . 1 1 89 89 ILE C C 13 174.094 0.05 . 1 . . . . . . . . 6211 1 1053 . 1 1 90 90 ASP N N 15 126.451 0.05 . 1 . . . . . . . . 6211 1 1054 . 1 1 90 90 ASP H H 1 8.669 0.02 . 1 . . . . . . . . 6211 1 1055 . 1 1 90 90 ASP CA C 13 53.386 0.05 . 1 . . . . . . . . 6211 1 1056 . 1 1 90 90 ASP HA H 1 4.721 0.02 . 1 . . . . . . . . 6211 1 1057 . 1 1 90 90 ASP CB C 13 40.748 0.05 . 1 . . . . . . . . 6211 1 1058 . 1 1 90 90 ASP HB2 H 1 3.008 0.02 . 2 . . . . . . . . 6211 1 1059 . 1 1 90 90 ASP HB3 H 1 2.728 0.02 . 2 . . . . . . . . 6211 1 1060 . 1 1 90 90 ASP C C 13 176.517 0.05 . 1 . . . . . . . . 6211 1 1061 . 1 1 91 91 THR N N 15 120.500 0.05 . 1 . . . . . . . . 6211 1 1062 . 1 1 91 91 THR H H 1 8.511 0.02 . 1 . . . . . . . . 6211 1 1063 . 1 1 91 91 THR CA C 13 65.248 0.05 . 1 . . . . . . . . 6211 1 1064 . 1 1 91 91 THR HA H 1 3.936 0.02 . 1 . . . . . . . . 6211 1 1065 . 1 1 91 91 THR CB C 13 68.200 0.05 . 1 . . . . . . . . 6211 1 1066 . 1 1 91 91 THR HB H 1 4.405 0.02 . 1 . . . . . . . . 6211 1 1067 . 1 1 91 91 THR CG2 C 13 23.145 0.05 . 1 . . . . . . . . 6211 1 1068 . 1 1 91 91 THR HG21 H 1 1.436 0.02 . 1 . . . . . . . . 6211 1 1069 . 1 1 91 91 THR HG22 H 1 1.436 0.02 . 1 . . . . . . . . 6211 1 1070 . 1 1 91 91 THR HG23 H 1 1.436 0.02 . 1 . . . . . . . . 6211 1 1071 . 1 1 91 91 THR C C 13 177.116 0.05 . 1 . . . . . . . . 6211 1 1072 . 1 1 92 92 GLU N N 15 124.302 0.05 . 1 . . . . . . . . 6211 1 1073 . 1 1 92 92 GLU H H 1 8.470 0.02 . 1 . . . . . . . . 6211 1 1074 . 1 1 92 92 GLU CA C 13 58.863 0.05 . 1 . . . . . . . . 6211 1 1075 . 1 1 92 92 GLU HA H 1 4.383 0.02 . 1 . . . . . . . . 6211 1 1076 . 1 1 92 92 GLU CB C 13 29.019 0.05 . 1 . . . . . . . . 6211 1 1077 . 1 1 92 92 GLU HB2 H 1 2.275 0.02 . 2 . . . . . . . . 6211 1 1078 . 1 1 92 92 GLU HB3 H 1 2.202 0.02 . 2 . . . . . . . . 6211 1 1079 . 1 1 92 92 GLU CG C 13 36.063 0.05 . 1 . . . . . . . . 6211 1 1080 . 1 1 92 92 GLU HG2 H 1 2.404 0.02 . 2 . . . . . . . . 6211 1 1081 . 1 1 92 92 GLU C C 13 179.095 0.05 . 1 . . . . . . . . 6211 1 1082 . 1 1 93 93 LYS N N 15 120.655 0.05 . 1 . . . . . . . . 6211 1 1083 . 1 1 93 93 LYS H H 1 7.821 0.02 . 1 . . . . . . . . 6211 1 1084 . 1 1 93 93 LYS CA C 13 59.655 0.05 . 1 . . . . . . . . 6211 1 1085 . 1 1 93 93 LYS HA H 1 4.054 0.02 . 1 . . . . . . . . 6211 1 1086 . 1 1 93 93 LYS CB C 13 32.666 0.05 . 1 . . . . . . . . 6211 1 1087 . 1 1 93 93 LYS HB2 H 1 1.978 0.02 . 2 . . . . . . . . 6211 1 1088 . 1 1 93 93 LYS HB3 H 1 1.927 0.02 . 2 . . . . . . . . 6211 1 1089 . 1 1 93 93 LYS CG C 13 26.408 0.05 . 1 . . . . . . . . 6211 1 1090 . 1 1 93 93 LYS HG2 H 1 1.683 0.02 . 2 . . . . . . . . 6211 1 1091 . 1 1 93 93 LYS HG3 H 1 1.462 0.02 . 2 . . . . . . . . 6211 1 1092 . 1 1 93 93 LYS CD C 13 29.360 0.05 . 1 . . . . . . . . 6211 1 1093 . 1 1 93 93 LYS HD2 H 1 1.827 0.02 . 2 . . . . . . . . 6211 1 1094 . 1 1 93 93 LYS HD3 H 1 1.720 0.02 . 2 . . . . . . . . 6211 1 1095 . 1 1 93 93 LYS CE C 13 41.789 0.05 . 1 . . . . . . . . 6211 1 1096 . 1 1 93 93 LYS HE2 H 1 3.077 0.02 . 2 . . . . . . . . 6211 1 1097 . 1 1 94 94 LEU N N 15 121.127 0.05 . 1 . . . . . . . . 6211 1 1098 . 1 1 94 94 LEU H H 1 8.015 0.02 . 1 . . . . . . . . 6211 1 1099 . 1 1 94 94 LEU CA C 13 58.202 0.05 . 1 . . . . . . . . 6211 1 1100 . 1 1 94 94 LEU HA H 1 4.173 0.02 . 1 . . . . . . . . 6211 1 1101 . 1 1 94 94 LEU CB C 13 42.410 0.05 . 1 . . . . . . . . 6211 1 1102 . 1 1 94 94 LEU HB2 H 1 1.996 0.02 . 2 . . . . . . . . 6211 1 1103 . 1 1 94 94 LEU HB3 H 1 1.410 0.02 . 2 . . . . . . . . 6211 1 1104 . 1 1 94 94 LEU CG C 13 27.160 0.05 . 1 . . . . . . . . 6211 1 1105 . 1 1 94 94 LEU HG H 1 1.628 0.02 . 1 . . . . . . . . 6211 1 1106 . 1 1 94 94 LEU CD1 C 13 23.773 0.05 . 2 . . . . . . . . 6211 1 1107 . 1 1 94 94 LEU HD11 H 1 0.976 0.02 . 2 . . . . . . . . 6211 1 1108 . 1 1 94 94 LEU HD12 H 1 0.976 0.02 . 2 . . . . . . . . 6211 1 1109 . 1 1 94 94 LEU HD13 H 1 0.976 0.02 . 2 . . . . . . . . 6211 1 1110 . 1 1 94 94 LEU CD2 C 13 25.820 0.05 . 2 . . . . . . . . 6211 1 1111 . 1 1 94 94 LEU HD21 H 1 0.888 0.02 . 2 . . . . . . . . 6211 1 1112 . 1 1 94 94 LEU HD22 H 1 0.888 0.02 . 2 . . . . . . . . 6211 1 1113 . 1 1 94 94 LEU HD23 H 1 0.888 0.02 . 2 . . . . . . . . 6211 1 1114 . 1 1 94 94 LEU C C 13 177.288 0.05 . 1 . . . . . . . . 6211 1 1115 . 1 1 95 95 ARG N N 15 119.284 0.05 . 1 . . . . . . . . 6211 1 1116 . 1 1 95 95 ARG H H 1 8.254 0.02 . 1 . . . . . . . . 6211 1 1117 . 1 1 95 95 ARG CA C 13 59.063 0.05 . 1 . . . . . . . . 6211 1 1118 . 1 1 95 95 ARG HA H 1 4.233 0.02 . 1 . . . . . . . . 6211 1 1119 . 1 1 95 95 ARG CB C 13 30.098 0.05 . 1 . . . . . . . . 6211 1 1120 . 1 1 95 95 ARG HB2 H 1 2.058 0.02 . 2 . . . . . . . . 6211 1 1121 . 1 1 95 95 ARG CG C 13 27.185 0.05 . 1 . . . . . . . . 6211 1 1122 . 1 1 95 95 ARG HG2 H 1 1.814 0.02 . 2 . . . . . . . . 6211 1 1123 . 1 1 95 95 ARG HG3 H 1 1.723 0.02 . 2 . . . . . . . . 6211 1 1124 . 1 1 95 95 ARG CD C 13 43.031 0.05 . 1 . . . . . . . . 6211 1 1125 . 1 1 95 95 ARG HD2 H 1 3.402 0.02 . 2 . . . . . . . . 6211 1 1126 . 1 1 95 95 ARG HD3 H 1 3.272 0.02 . 2 . . . . . . . . 6211 1 1127 . 1 1 95 95 ARG C C 13 178.676 0.05 . 1 . . . . . . . . 6211 1 1128 . 1 1 96 96 LYS N N 15 117.574 0.05 . 1 . . . . . . . . 6211 1 1129 . 1 1 96 96 LYS H H 1 8.273 0.02 . 1 . . . . . . . . 6211 1 1130 . 1 1 96 96 LYS CA C 13 59.661 0.05 . 1 . . . . . . . . 6211 1 1131 . 1 1 96 96 LYS HA H 1 3.963 0.02 . 1 . . . . . . . . 6211 1 1132 . 1 1 96 96 LYS CB C 13 32.666 0.05 . 1 . . . . . . . . 6211 1 1133 . 1 1 96 96 LYS HB2 H 1 1.937 0.02 . 2 . . . . . . . . 6211 1 1134 . 1 1 96 96 LYS CG C 13 25.398 0.05 . 1 . . . . . . . . 6211 1 1135 . 1 1 96 96 LYS HG2 H 1 1.762 0.02 . 2 . . . . . . . . 6211 1 1136 . 1 1 96 96 LYS HG3 H 1 1.449 0.02 . 2 . . . . . . . . 6211 1 1137 . 1 1 96 96 LYS CD C 13 29.541 0.05 . 1 . . . . . . . . 6211 1 1138 . 1 1 96 96 LYS HD2 H 1 1.711 0.02 . 2 . . . . . . . . 6211 1 1139 . 1 1 96 96 LYS CE C 13 41.626 0.05 . 1 . . . . . . . . 6211 1 1140 . 1 1 96 96 LYS HE2 H 1 2.969 0.02 . 2 . . . . . . . . 6211 1 1141 . 1 1 97 97 TYR N N 15 121.291 0.05 . 1 . . . . . . . . 6211 1 1142 . 1 1 97 97 TYR H H 1 8.014 0.02 . 1 . . . . . . . . 6211 1 1143 . 1 1 97 97 TYR CA C 13 61.280 0.05 . 1 . . . . . . . . 6211 1 1144 . 1 1 97 97 TYR HA H 1 4.256 0.02 . 1 . . . . . . . . 6211 1 1145 . 1 1 97 97 TYR CB C 13 38.429 0.05 . 1 . . . . . . . . 6211 1 1146 . 1 1 97 97 TYR HB2 H 1 3.296 0.02 . 2 . . . . . . . . 6211 1 1147 . 1 1 97 97 TYR HB3 H 1 3.221 0.02 . 2 . . . . . . . . 6211 1 1148 . 1 1 97 97 TYR CD1 C 13 133.005 0.05 . 3 . . . . . . . . 6211 1 1149 . 1 1 97 97 TYR HD1 H 1 7.087 0.02 . 3 . . . . . . . . 6211 1 1150 . 1 1 97 97 TYR CE1 C 13 118.579 0.05 . 3 . . . . . . . . 6211 1 1151 . 1 1 97 97 TYR HE1 H 1 6.832 0.02 . 3 . . . . . . . . 6211 1 1152 . 1 1 97 97 TYR C C 13 176.605 0.05 . 1 . . . . . . . . 6211 1 1153 . 1 1 98 98 GLU N N 15 118.356 0.05 . 1 . . . . . . . . 6211 1 1154 . 1 1 98 98 GLU H H 1 8.280 0.02 . 1 . . . . . . . . 6211 1 1155 . 1 1 98 98 GLU CA C 13 60.432 0.05 . 1 . . . . . . . . 6211 1 1156 . 1 1 98 98 GLU HA H 1 3.585 0.02 . 1 . . . . . . . . 6211 1 1157 . 1 1 98 98 GLU CB C 13 28.854 0.05 . 1 . . . . . . . . 6211 1 1158 . 1 1 98 98 GLU HB2 H 1 2.395 0.02 . 2 . . . . . . . . 6211 1 1159 . 1 1 98 98 GLU HB3 H 1 1.938 0.02 . 2 . . . . . . . . 6211 1 1160 . 1 1 98 98 GLU CG C 13 37.935 0.05 . 1 . . . . . . . . 6211 1 1161 . 1 1 98 98 GLU HG2 H 1 3.150 0.02 . 2 . . . . . . . . 6211 1 1162 . 1 1 98 98 GLU HG3 H 1 2.204 0.02 . 2 . . . . . . . . 6211 1 1163 . 1 1 98 98 GLU C C 13 179.337 0.05 . 1 . . . . . . . . 6211 1 1164 . 1 1 99 99 ILE N N 15 119.821 0.05 . 1 . . . . . . . . 6211 1 1165 . 1 1 99 99 ILE H H 1 8.701 0.02 . 1 . . . . . . . . 6211 1 1166 . 1 1 99 99 ILE CA C 13 64.627 0.05 . 1 . . . . . . . . 6211 1 1167 . 1 1 99 99 ILE HA H 1 3.871 0.02 . 1 . . . . . . . . 6211 1 1168 . 1 1 99 99 ILE CB C 13 38.074 0.05 . 1 . . . . . . . . 6211 1 1169 . 1 1 99 99 ILE HB H 1 1.893 0.02 . 1 . . . . . . . . 6211 1 1170 . 1 1 99 99 ILE CG1 C 13 29.233 0.05 . 1 . . . . . . . . 6211 1 1171 . 1 1 99 99 ILE HG12 H 1 1.827 0.02 . 2 . . . . . . . . 6211 1 1172 . 1 1 99 99 ILE HG13 H 1 1.228 0.02 . 2 . . . . . . . . 6211 1 1173 . 1 1 99 99 ILE CG2 C 13 16.931 0.05 . 1 . . . . . . . . 6211 1 1174 . 1 1 99 99 ILE HG21 H 1 0.954 0.02 . 1 . . . . . . . . 6211 1 1175 . 1 1 99 99 ILE HG22 H 1 0.954 0.02 . 1 . . . . . . . . 6211 1 1176 . 1 1 99 99 ILE HG23 H 1 0.954 0.02 . 1 . . . . . . . . 6211 1 1177 . 1 1 99 99 ILE CD1 C 13 13.513 0.05 . 1 . . . . . . . . 6211 1 1178 . 1 1 99 99 ILE HD11 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 1179 . 1 1 99 99 ILE HD12 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 1180 . 1 1 99 99 ILE HD13 H 1 0.902 0.02 . 1 . . . . . . . . 6211 1 1181 . 1 1 99 99 ILE C C 13 180.410 0.05 . 1 . . . . . . . . 6211 1 1182 . 1 1 100 100 ALA N N 15 124.161 0.05 . 1 . . . . . . . . 6211 1 1183 . 1 1 100 100 ALA H H 1 7.868 0.02 . 1 . . . . . . . . 6211 1 1184 . 1 1 100 100 ALA CA C 13 54.684 0.05 . 1 . . . . . . . . 6211 1 1185 . 1 1 100 100 ALA HA H 1 4.158 0.02 . 1 . . . . . . . . 6211 1 1186 . 1 1 100 100 ALA CB C 13 17.707 0.05 . 1 . . . . . . . . 6211 1 1187 . 1 1 100 100 ALA HB1 H 1 1.527 0.02 . 1 . . . . . . . . 6211 1 1188 . 1 1 100 100 ALA HB2 H 1 1.527 0.02 . 1 . . . . . . . . 6211 1 1189 . 1 1 100 100 ALA HB3 H 1 1.527 0.02 . 1 . . . . . . . . 6211 1 1190 . 1 1 100 100 ALA C C 13 179.564 0.05 . 1 . . . . . . . . 6211 1 1191 . 1 1 101 101 LYS N N 15 115.468 0.05 . 1 . . . . . . . . 6211 1 1192 . 1 1 101 101 LYS H H 1 7.482 0.02 . 1 . . . . . . . . 6211 1 1193 . 1 1 101 101 LYS CA C 13 54.528 0.05 . 1 . . . . . . . . 6211 1 1194 . 1 1 101 101 LYS HA H 1 4.249 0.02 . 1 . . . . . . . . 6211 1 1195 . 1 1 101 101 LYS CB C 13 32.149 0.05 . 1 . . . . . . . . 6211 1 1196 . 1 1 101 101 LYS HB2 H 1 1.808 0.02 . 2 . . . . . . . . 6211 1 1197 . 1 1 101 101 LYS HB3 H 1 1.540 0.02 . 2 . . . . . . . . 6211 1 1198 . 1 1 101 101 LYS CG C 13 23.922 0.05 . 1 . . . . . . . . 6211 1 1199 . 1 1 101 101 LYS HG2 H 1 1.163 0.02 . 2 . . . . . . . . 6211 1 1200 . 1 1 101 101 LYS CD C 13 27.961 0.05 . 1 . . . . . . . . 6211 1 1201 . 1 1 101 101 LYS HD2 H 1 1.501 0.02 . 2 . . . . . . . . 6211 1 1202 . 1 1 101 101 LYS CE C 13 41.827 0.05 . 1 . . . . . . . . 6211 1 1203 . 1 1 101 101 LYS HE2 H 1 3.006 0.02 . 2 . . . . . . . . 6211 1 1204 . 1 1 101 101 LYS HE3 H 1 2.901 0.02 . 2 . . . . . . . . 6211 1 1205 . 1 1 101 101 LYS C C 13 176.703 0.05 . 1 . . . . . . . . 6211 1 1206 . 1 1 102 102 GLY N N 15 109.150 0.05 . 1 . . . . . . . . 6211 1 1207 . 1 1 102 102 GLY H H 1 7.936 0.02 . 1 . . . . . . . . 6211 1 1208 . 1 1 102 102 GLY CA C 13 45.830 0.05 . 1 . . . . . . . . 6211 1 1209 . 1 1 102 102 GLY HA2 H 1 4.020 0.02 . 2 . . . . . . . . 6211 1 1210 . 1 1 102 102 GLY HA3 H 1 3.858 0.02 . 2 . . . . . . . . 6211 1 1211 . 1 1 102 102 GLY C C 13 174.930 0.05 . 1 . . . . . . . . 6211 1 1212 . 1 1 103 103 LEU N N 15 119.895 0.05 . 1 . . . . . . . . 6211 1 1213 . 1 1 103 103 LEU H H 1 8.021 0.02 . 1 . . . . . . . . 6211 1 1214 . 1 1 103 103 LEU CA C 13 53.907 0.05 . 1 . . . . . . . . 6211 1 1215 . 1 1 103 103 LEU HA H 1 4.379 0.02 . 1 . . . . . . . . 6211 1 1216 . 1 1 103 103 LEU CB C 13 41.810 0.05 . 1 . . . . . . . . 6211 1 1217 . 1 1 103 103 LEU HB2 H 1 1.605 0.02 . 2 . . . . . . . . 6211 1 1218 . 1 1 103 103 LEU HB3 H 1 1.306 0.02 . 2 . . . . . . . . 6211 1 1219 . 1 1 103 103 LEU CG C 13 25.964 0.05 . 1 . . . . . . . . 6211 1 1220 . 1 1 103 103 LEU HG H 1 1.510 0.02 . 1 . . . . . . . . 6211 1 1221 . 1 1 103 103 LEU CD1 C 13 25.692 0.05 . 2 . . . . . . . . 6211 1 1222 . 1 1 103 103 LEU HD11 H 1 0.869 0.02 . 2 . . . . . . . . 6211 1 1223 . 1 1 103 103 LEU HD12 H 1 0.869 0.02 . 2 . . . . . . . . 6211 1 1224 . 1 1 103 103 LEU HD13 H 1 0.869 0.02 . 2 . . . . . . . . 6211 1 1225 . 1 1 103 103 LEU CD2 C 13 22.213 0.05 . 2 . . . . . . . . 6211 1 1226 . 1 1 103 103 LEU HD21 H 1 0.837 0.02 . 2 . . . . . . . . 6211 1 1227 . 1 1 103 103 LEU HD22 H 1 0.837 0.02 . 2 . . . . . . . . 6211 1 1228 . 1 1 103 103 LEU HD23 H 1 0.837 0.02 . 2 . . . . . . . . 6211 1 1229 . 1 1 103 103 LEU C C 13 176.839 0.05 . 1 . . . . . . . . 6211 1 1230 . 1 1 104 104 MET N N 15 120.980 0.05 . 1 . . . . . . . . 6211 1 1231 . 1 1 104 104 MET H H 1 8.465 0.02 . 1 . . . . . . . . 6211 1 1232 . 1 1 104 104 MET CA C 13 54.684 0.05 . 1 . . . . . . . . 6211 1 1233 . 1 1 104 104 MET HA H 1 4.509 0.02 . 1 . . . . . . . . 6211 1 1234 . 1 1 104 104 MET CB C 13 32.933 0.05 . 1 . . . . . . . . 6211 1 1235 . 1 1 104 104 MET HB2 H 1 2.139 0.02 . 2 . . . . . . . . 6211 1 1236 . 1 1 104 104 MET HB3 H 1 2.035 0.02 . 2 . . . . . . . . 6211 1 1237 . 1 1 104 104 MET CG C 13 32.156 0.05 . 1 . . . . . . . . 6211 1 1238 . 1 1 104 104 MET HG2 H 1 2.686 0.02 . 2 . . . . . . . . 6211 1 1239 . 1 1 104 104 MET HG3 H 1 2.556 0.02 . 2 . . . . . . . . 6211 1 1240 . 1 1 104 104 MET CE C 13 17.086 0.05 . 1 . . . . . . . . 6211 1 1241 . 1 1 104 104 MET HE1 H 1 2.126 0.02 . 1 . . . . . . . . 6211 1 1242 . 1 1 104 104 MET HE2 H 1 2.126 0.02 . 1 . . . . . . . . 6211 1 1243 . 1 1 104 104 MET HE3 H 1 2.126 0.02 . 1 . . . . . . . . 6211 1 1244 . 1 1 104 104 MET C C 13 176.651 0.05 . 1 . . . . . . . . 6211 1 1245 . 1 1 105 105 SER N N 15 117.991 0.05 . 1 . . . . . . . . 6211 1 1246 . 1 1 105 105 SER H H 1 8.479 0.02 . 1 . . . . . . . . 6211 1 1247 . 1 1 105 105 SER CA C 13 58.723 0.05 . 1 . . . . . . . . 6211 1 1248 . 1 1 105 105 SER HA H 1 4.418 0.02 . 1 . . . . . . . . 6211 1 1249 . 1 1 105 105 SER CB C 13 63.228 0.05 . 1 . . . . . . . . 6211 1 1250 . 1 1 105 105 SER HB2 H 1 3.871 0.02 . 2 . . . . . . . . 6211 1 1251 . 1 1 105 105 SER HB3 H 1 3.844 0.02 . 2 . . . . . . . . 6211 1 1252 . 1 1 105 105 SER C C 13 174.179 0.05 . 1 . . . . . . . . 6211 1 1253 . 1 1 106 106 VAL N N 15 123.002 0.05 . 1 . . . . . . . . 6211 1 1254 . 1 1 106 106 VAL H H 1 8.336 0.02 . 1 . . . . . . . . 6211 1 1255 . 1 1 106 106 VAL CA C 13 58.878 0.05 . 1 . . . . . . . . 6211 1 1256 . 1 1 106 106 VAL HA H 1 4.587 0.02 . 1 . . . . . . . . 6211 1 1257 . 1 1 106 106 VAL CB C 13 33.244 0.05 . 1 . . . . . . . . 6211 1 1258 . 1 1 106 106 VAL HB H 1 2.126 0.02 . 1 . . . . . . . . 6211 1 1259 . 1 1 106 106 VAL CG1 C 13 21.281 0.05 . 2 . . . . . . . . 6211 1 1260 . 1 1 106 106 VAL HG11 H 1 0.980 0.02 . 2 . . . . . . . . 6211 1 1261 . 1 1 106 106 VAL HG12 H 1 0.980 0.02 . 2 . . . . . . . . 6211 1 1262 . 1 1 106 106 VAL HG13 H 1 0.980 0.02 . 2 . . . . . . . . 6211 1 1263 . 1 1 106 106 VAL CG2 C 13 19.727 0.05 . 2 . . . . . . . . 6211 1 1264 . 1 1 106 106 VAL HG21 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 1265 . 1 1 106 106 VAL HG22 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 1266 . 1 1 106 106 VAL HG23 H 1 0.902 0.02 . 2 . . . . . . . . 6211 1 1267 . 1 1 107 107 PRO CA C 13 62.763 0.05 . 1 . . . . . . . . 6211 1 1268 . 1 1 107 107 PRO HA H 1 4.418 0.02 . 1 . . . . . . . . 6211 1 1269 . 1 1 107 107 PRO CB C 13 32.156 0.05 . 1 . . . . . . . . 6211 1 1270 . 1 1 107 107 PRO HB2 H 1 2.295 0.02 . 2 . . . . . . . . 6211 1 1271 . 1 1 107 107 PRO HB3 H 1 1.840 0.02 . 2 . . . . . . . . 6211 1 1272 . 1 1 107 107 PRO CG C 13 27.395 0.05 . 1 . . . . . . . . 6211 1 1273 . 1 1 107 107 PRO HG2 H 1 1.969 0.02 . 2 . . . . . . . . 6211 1 1274 . 1 1 107 107 PRO CD C 13 50.800 0.05 . 1 . . . . . . . . 6211 1 1275 . 1 1 107 107 PRO HD2 H 1 3.793 0.02 . 2 . . . . . . . . 6211 1 1276 . 1 1 107 107 PRO HD3 H 1 3.676 0.02 . 2 . . . . . . . . 6211 1 1277 . 1 1 107 107 PRO C C 13 176.354 0.05 . 1 . . . . . . . . 6211 1 1278 . 1 1 108 108 TYR N N 15 120.463 0.05 . 1 . . . . . . . . 6211 1 1279 . 1 1 108 108 TYR H H 1 8.147 0.02 . 1 . . . . . . . . 6211 1 1280 . 1 1 108 108 TYR CA C 13 57.344 0.05 . 1 . . . . . . . . 6211 1 1281 . 1 1 108 108 TYR HA H 1 4.567 0.02 . 1 . . . . . . . . 6211 1 1282 . 1 1 108 108 TYR CB C 13 38.526 0.05 . 1 . . . . . . . . 6211 1 1283 . 1 1 108 108 TYR HB2 H 1 2.934 0.02 . 2 . . . . . . . . 6211 1 1284 . 1 1 108 108 TYR HB3 H 1 2.855 0.02 . 2 . . . . . . . . 6211 1 1285 . 1 1 108 108 TYR CD1 C 13 132.525 0.05 . 3 . . . . . . . . 6211 1 1286 . 1 1 108 108 TYR HD1 H 1 7.055 0.02 . 3 . . . . . . . . 6211 1 1287 . 1 1 108 108 TYR CE1 C 13 118.052 0.05 . 3 . . . . . . . . 6211 1 1288 . 1 1 108 108 TYR HE1 H 1 6.752 0.02 . 3 . . . . . . . . 6211 1 1289 . 1 1 108 108 TYR C C 13 179.533 0.05 . 1 . . . . . . . . 6211 1 1290 . 1 1 109 109 ILE N N 15 120.457 0.05 . 1 . . . . . . . . 6211 1 1291 . 1 1 109 109 ILE H H 1 7.634 0.02 . 1 . . . . . . . . 6211 1 1292 . 1 1 109 109 ILE CA C 13 60.506 0.05 . 1 . . . . . . . . 6211 1 1293 . 1 1 109 109 ILE HA H 1 4.084 0.02 . 1 . . . . . . . . 6211 1 1294 . 1 1 109 109 ILE CB C 13 39.147 0.05 . 1 . . . . . . . . 6211 1 1295 . 1 1 109 109 ILE HB H 1 1.488 0.02 . 1 . . . . . . . . 6211 1 1296 . 1 1 109 109 ILE CG1 C 13 26.747 0.05 . 1 . . . . . . . . 6211 1 1297 . 1 1 109 109 ILE HG12 H 1 1.200 0.02 . 2 . . . . . . . . 6211 1 1298 . 1 1 109 109 ILE HG13 H 1 0.828 0.02 . 2 . . . . . . . . 6211 1 1299 . 1 1 109 109 ILE CG2 C 13 17.552 0.05 . 1 . . . . . . . . 6211 1 1300 . 1 1 109 109 ILE HG21 H 1 0.485 0.02 . 1 . . . . . . . . 6211 1 1301 . 1 1 109 109 ILE HG22 H 1 0.485 0.02 . 1 . . . . . . . . 6211 1 1302 . 1 1 109 109 ILE HG23 H 1 0.485 0.02 . 1 . . . . . . . . 6211 1 1303 . 1 1 109 109 ILE CD1 C 13 13.202 0.05 . 1 . . . . . . . . 6211 1 1304 . 1 1 109 109 ILE HD11 H 1 0.420 0.02 . 1 . . . . . . . . 6211 1 1305 . 1 1 109 109 ILE HD12 H 1 0.420 0.02 . 1 . . . . . . . . 6211 1 1306 . 1 1 109 109 ILE HD13 H 1 0.420 0.02 . 1 . . . . . . . . 6211 1 1307 . 1 1 109 109 ILE C C 13 174.546 0.05 . 1 . . . . . . . . 6211 1 1308 . 1 1 110 110 TYR N N 15 124.062 0.05 . 1 . . . . . . . . 6211 1 1309 . 1 1 110 110 TYR H H 1 8.131 0.02 . 1 . . . . . . . . 6211 1 1310 . 1 1 110 110 TYR CA C 13 57.418 0.05 . 1 . . . . . . . . 6211 1 1311 . 1 1 110 110 TYR HA H 1 4.589 0.02 . 1 . . . . . . . . 6211 1 1312 . 1 1 110 110 TYR CB C 13 38.972 0.05 . 1 . . . . . . . . 6211 1 1313 . 1 1 110 110 TYR HB2 H 1 3.060 0.02 . 2 . . . . . . . . 6211 1 1314 . 1 1 110 110 TYR HB3 H 1 2.850 0.02 . 2 . . . . . . . . 6211 1 1315 . 1 1 110 110 TYR CD1 C 13 133.250 0.05 . 3 . . . . . . . . 6211 1 1316 . 1 1 110 110 TYR HD1 H 1 7.153 0.02 . 3 . . . . . . . . 6211 1 1317 . 1 1 110 110 TYR CE1 C 13 117.988 0.05 . 3 . . . . . . . . 6211 1 1318 . 1 1 110 110 TYR HE1 H 1 6.833 0.02 . 3 . . . . . . . . 6211 1 1319 . 1 1 110 110 TYR C C 13 174.474 0.05 . 1 . . . . . . . . 6211 1 1320 . 1 1 111 111 PHE N N 15 127.468 0.05 . 1 . . . . . . . . 6211 1 1321 . 1 1 111 111 PHE H H 1 7.885 0.02 . 1 . . . . . . . . 6211 1 1322 . 1 1 111 111 PHE CA C 13 59.035 0.05 . 1 . . . . . . . . 6211 1 1323 . 1 1 111 111 PHE HA H 1 4.424 0.02 . 1 . . . . . . . . 6211 1 1324 . 1 1 111 111 PHE CB C 13 40.390 0.05 . 1 . . . . . . . . 6211 1 1325 . 1 1 111 111 PHE HB2 H 1 3.181 0.02 . 2 . . . . . . . . 6211 1 1326 . 1 1 111 111 PHE HB3 H 1 2.895 0.02 . 2 . . . . . . . . 6211 1 1327 . 1 1 111 111 PHE CD1 C 13 131.818 0.05 . 3 . . . . . . . . 6211 1 1328 . 1 1 111 111 PHE HD1 H 1 7.088 0.02 . 3 . . . . . . . . 6211 1 1329 . 1 1 111 111 PHE CE1 C 13 130.700 0.05 . 3 . . . . . . . . 6211 1 1330 . 1 1 111 111 PHE HE1 H 1 6.892 0.02 . 3 . . . . . . . . 6211 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_HNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_HNHA _Coupling_constant_list.Entry_ID 6211 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $condition_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 6211 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 LYS H . . . . 1 1 4 4 LYS HA . . . 4.2 . . 0.3 . . . . . . . . . . . 6211 1 2 3JHNHA . 1 1 5 5 SER H . . . . 1 1 5 5 SER HA . . . 5.1 . . 0.3 . . . . . . . . . . . 6211 1 3 3JHNHA . 1 1 7 7 THR H . . . . 1 1 7 7 THR HA . . . 4.7 . . 0.3 . . . . . . . . . . . 6211 1 4 3JHNHA . 1 1 8 8 LEU H . . . . 1 1 8 8 LEU HA . . . 4.2 . . 0.3 . . . . . . . . . . . 6211 1 5 3JHNHA . 1 1 9 9 TYR H . . . . 1 1 9 9 TYR HA . . . 3.5 . . 0.3 . . . . . . . . . . . 6211 1 6 3JHNHA . 1 1 10 10 LEU H . . . . 1 1 10 10 LEU HA . . . 4.7 . . 0.3 . . . . . . . . . . . 6211 1 7 3JHNHA . 1 1 11 11 ASN H . . . . 1 1 11 11 ASN HA . . . 4.9 . . 0.3 . . . . . . . . . . . 6211 1 8 3JHNHA . 1 1 12 12 LEU H . . . . 1 1 12 12 LEU HA . . . 5.0 . . 0.3 . . . . . . . . . . . 6211 1 9 3JHNHA . 1 1 13 13 SER H . . . . 1 1 13 13 SER HA . . . 4.2 . . 0.3 . . . . . . . . . . . 6211 1 10 3JHNHA . 1 1 15 15 ALA H . . . . 1 1 15 15 ALA HA . . . 4.0 . . 0.3 . . . . . . . . . . . 6211 1 11 3JHNHA . 1 1 16 16 TYR H . . . . 1 1 16 16 TYR HA . . . 3.7 . . 0.3 . . . . . . . . . . . 6211 1 12 3JHNHA . 1 1 18 18 ASP H . . . . 1 1 18 18 ASP HA . . . 4.7 . . 0.3 . . . . . . . . . . . 6211 1 13 3JHNHA . 1 1 20 20 GLU H . . . . 1 1 20 20 GLU HA . . . 7.6 . . 0.3 . . . . . . . . . . . 6211 1 14 3JHNHA . 1 1 21 21 VAL H . . . . 1 1 21 21 VAL HA . . . 8.9 . . 0.3 . . . . . . . . . . . 6211 1 15 3JHNHA . 1 1 23 23 ALA H . . . . 1 1 23 23 ALA HA . . . 5.8 . . 0.3 . . . . . . . . . . . 6211 1 16 3JHNHA . 1 1 24 24 ASN H . . . . 1 1 24 24 ASN HA . . . 7.4 . . 0.3 . . . . . . . . . . . 6211 1 17 3JHNHA . 1 1 26 26 PHE H . . . . 1 1 26 26 PHE HA . . . 4.7 . . 0.3 . . . . . . . . . . . 6211 1 18 3JHNHA . 1 1 28 28 SER H . . . . 1 1 28 28 SER HA . . . 4.8 . . 0.3 . . . . . . . . . . . 6211 1 19 3JHNHA . 1 1 30 30 LEU H . . . . 1 1 30 30 LEU HA . . . 3.9 . . 0.3 . . . . . . . . . . . 6211 1 20 3JHNHA . 1 1 32 32 VAL H . . . . 1 1 32 32 VAL HA . . . 4.6 . . 0.3 . . . . . . . . . . . 6211 1 21 3JHNHA . 1 1 33 33 GLN H . . . . 1 1 33 33 GLN HA . . . 3.7 . . 0.3 . . . . . . . . . . . 6211 1 22 3JHNHA . 1 1 34 34 CYS H . . . . 1 1 34 34 CYS HA . . . 4.9 . . 0.3 . . . . . . . . . . . 6211 1 23 3JHNHA . 1 1 35 35 ALA H . . . . 1 1 35 35 ALA HA . . . 4.4 . . 0.3 . . . . . . . . . . . 6211 1 24 3JHNHA . 1 1 37 37 LYS H . . . . 1 1 37 37 LYS HA . . . 5.8 . . 0.3 . . . . . . . . . . . 6211 1 25 3JHNHA . 1 1 38 38 LEU H . . . . 1 1 38 38 LEU HA . . . 6.0 . . 0.3 . . . . . . . . . . . 6211 1 26 3JHNHA . 1 1 39 39 THR H . . . . 1 1 39 39 THR HA . . . 6.3 . . 0.3 . . . . . . . . . . . 6211 1 27 3JHNHA . 1 1 40 40 ALA H . . . . 1 1 40 40 ALA HA . . . 7.1 . . 0.3 . . . . . . . . . . . 6211 1 28 3JHNHA . 1 1 41 41 SER H . . . . 1 1 41 41 SER HA . . . 4.8 . . 0.3 . . . . . . . . . . . 6211 1 29 3JHNHA . 1 1 42 42 ASN H . . . . 1 1 42 42 ASN HA . . . 7.8 . . 0.3 . . . . . . . . . . . 6211 1 30 3JHNHA . 1 1 43 43 SER H . . . . 1 1 43 43 SER HA . . . 6.2 . . 0.3 . . . . . . . . . . . 6211 1 31 3JHNHA . 1 1 44 44 GLU H . . . . 1 1 44 44 GLU HA . . . 5.7 . . 0.3 . . . . . . . . . . . 6211 1 32 3JHNHA . 1 1 46 46 SER H . . . . 1 1 46 46 SER HA . . . 4.5 . . 0.3 . . . . . . . . . . . 6211 1 33 3JHNHA . 1 1 47 47 TYR H . . . . 1 1 47 47 TYR HA . . . 3.7 . . 0.3 . . . . . . . . . . . 6211 1 34 3JHNHA . 1 1 48 48 ILE H . . . . 1 1 48 48 ILE HA . . . 5.0 . . 0.3 . . . . . . . . . . . 6211 1 35 3JHNHA . 1 1 49 49 GLU H . . . . 1 1 49 49 GLU HA . . . 3.4 . . 0.3 . . . . . . . . . . . 6211 1 36 3JHNHA . 1 1 50 50 VAL H . . . . 1 1 50 50 VAL HA . . . 4.9 . . 0.3 . . . . . . . . . . . 6211 1 37 3JHNHA . 1 1 52 52 SER H . . . . 1 1 52 52 SER HA . . . 3.6 . . 0.3 . . . . . . . . . . . 6211 1 38 3JHNHA . 1 1 54 54 LEU H . . . . 1 1 54 54 LEU HA . . . 4.2 . . 0.3 . . . . . . . . . . . 6211 1 39 3JHNHA . 1 1 55 55 SER H . . . . 1 1 55 55 SER HA . . . 4.6 . . 0.3 . . . . . . . . . . . 6211 1 40 3JHNHA . 1 1 60 60 SER H . . . . 1 1 60 60 SER HA . . . 4.0 . . 0.3 . . . . . . . . . . . 6211 1 41 3JHNHA . 1 1 61 61 TYR H . . . . 1 1 61 61 TYR HA . . . 3.3 . . 0.3 . . . . . . . . . . . 6211 1 42 3JHNHA . 1 1 64 64 SER H . . . . 1 1 64 64 SER HA . . . 8.1 . . 0.3 . . . . . . . . . . . 6211 1 43 3JHNHA . 1 1 65 65 HIS H . . . . 1 1 65 65 HIS HA . . . 10.3 . . 0.3 . . . . . . . . . . . 6211 1 44 3JHNHA . 1 1 72 72 SER H . . . . 1 1 72 72 SER HA . . . 2.7 . . 0.3 . . . . . . . . . . . 6211 1 45 3JHNHA . 1 1 78 78 THR H . . . . 1 1 78 78 THR HA . . . 5.1 . . 0.3 . . . . . . . . . . . 6211 1 46 3JHNHA . 1 1 79 79 GLN H . . . . 1 1 79 79 GLN HA . . . 5.4 . . 0.3 . . . . . . . . . . . 6211 1 47 3JHNHA . 1 1 80 80 ILE H . . . . 1 1 80 80 ILE HA . . . 3.9 . . 0.3 . . . . . . . . . . . 6211 1 48 3JHNHA . 1 1 81 81 GLN H . . . . 1 1 81 81 GLN HA . . . 5.8 . . 0.3 . . . . . . . . . . . 6211 1 49 3JHNHA . 1 1 82 82 LYS H . . . . 1 1 82 82 LYS HA . . . 4.1 . . 0.3 . . . . . . . . . . . 6211 1 50 3JHNHA . 1 1 83 83 ASP H . . . . 1 1 83 83 ASP HA . . . 4.4 . . 0.3 . . . . . . . . . . . 6211 1 51 3JHNHA . 1 1 84 84 ILE H . . . . 1 1 84 84 ILE HA . . . 5.1 . . 0.3 . . . . . . . . . . . 6211 1 52 3JHNHA . 1 1 85 85 LYS H . . . . 1 1 85 85 LYS HA . . . 4.0 . . 0.3 . . . . . . . . . . . 6211 1 53 3JHNHA . 1 1 86 86 ASN H . . . . 1 1 86 86 ASN HA . . . 7.6 . . 0.3 . . . . . . . . . . . 6211 1 54 3JHNHA . 1 1 88 88 ASN H . . . . 1 1 88 88 ASN HA . . . 6.7 . . 0.3 . . . . . . . . . . . 6211 1 55 3JHNHA . 1 1 89 89 ILE H . . . . 1 1 89 89 ILE HA . . . 11.4 . . 0.3 . . . . . . . . . . . 6211 1 56 3JHNHA . 1 1 90 90 ASP H . . . . 1 1 90 90 ASP HA . . . 6.1 . . 0.3 . . . . . . . . . . . 6211 1 57 3JHNHA . 1 1 91 91 THR H . . . . 1 1 91 91 THR HA . . . 4.8 . . 0.3 . . . . . . . . . . . 6211 1 58 3JHNHA . 1 1 92 92 GLU H . . . . 1 1 92 92 GLU HA . . . 6.4 . . 0.3 . . . . . . . . . . . 6211 1 59 3JHNHA . 1 1 93 93 LYS H . . . . 1 1 93 93 LYS HA . . . 5.9 . . 0.3 . . . . . . . . . . . 6211 1 60 3JHNHA . 1 1 95 95 ARG H . . . . 1 1 95 95 ARG HA . . . 4.1 . . 0.3 . . . . . . . . . . . 6211 1 61 3JHNHA . 1 1 96 96 LYS H . . . . 1 1 96 96 LYS HA . . . 4.0 . . 0.3 . . . . . . . . . . . 6211 1 62 3JHNHA . 1 1 98 98 GLU H . . . . 1 1 98 98 GLU HA . . . 5.5 . . 0.3 . . . . . . . . . . . 6211 1 63 3JHNHA . 1 1 99 99 ILE H . . . . 1 1 99 99 ILE HA . . . 5.0 . . 0.3 . . . . . . . . . . . 6211 1 64 3JHNHA . 1 1 100 100 ALA H . . . . 1 1 100 100 ALA HA . . . 5.0 . . 0.3 . . . . . . . . . . . 6211 1 65 3JHNHA . 1 1 101 101 LYS H . . . . 1 1 101 101 LYS HA . . . 8.0 . . 0.3 . . . . . . . . . . . 6211 1 66 3JHNHA . 1 1 103 103 LEU H . . . . 1 1 103 103 LEU HA . . . 8.0 . . 0.3 . . . . . . . . . . . 6211 1 67 3JHNHA . 1 1 104 104 MET H . . . . 1 1 104 104 MET HA . . . 6.9 . . 0.3 . . . . . . . . . . . 6211 1 68 3JHNHA . 1 1 105 105 SER H . . . . 1 1 105 105 SER HA . . . 4.9 . . 0.3 . . . . . . . . . . . 6211 1 69 3JHNHA . 1 1 106 106 VAL H . . . . 1 1 106 106 VAL HA . . . 7.0 . . 0.3 . . . . . . . . . . . 6211 1 70 3JHNHA . 1 1 108 108 TYR H . . . . 1 1 108 108 TYR HA . . . 7.8 . . 0.3 . . . . . . . . . . . 6211 1 71 3JHNHA . 1 1 110 110 TYR H . . . . 1 1 110 110 TYR HA . . . 9.0 . . 0.3 . . . . . . . . . . . 6211 1 stop_ save_