data_5189 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5189 _Entry.Title ; 1H, 15N and 13C resonance assignments of rabbit apo-S100A11 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-10-23 _Entry.Accession_date 2001-10-23 _Entry.Last_release_date 2002-05-07 _Entry.Original_release_date 2002-05-07 _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 Anne Rintala . C. . 5189 2 Brett Schonekess . O. . 5189 3 Michael Walsh . P. . 5189 4 Gary Shaw . S. . 5189 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5189 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 694 5189 '13C chemical shifts' 431 5189 '15N chemical shifts' 105 5189 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-05-07 2001-10-23 original author . 5189 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5189 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21880668 _Citation.DOI . _Citation.PubMed_ID 11883784 _Citation.Full_citation . _Citation.Title 'Letter to the Editor: 1H, 15N and 13C Resonance Assignments of Rabbit Apo-S100A11' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 2 _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 191 _Citation.Page_last 192 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anne Rintala . C. . 5189 1 2 Brett Schonekess . O. . 5189 1 3 Michael Walsh . P. . 5189 1 4 Gary Shaw . S. . 5189 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID apo-S100A11 5189 1 'resonance assignments' 5189 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 5189 _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 GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):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. . . 5189 2 2 S. Grzesiek S. . . 5189 2 3 'G. W.' Vuister G. W. . 5189 2 4 G. Zhu G. . . 5189 2 5 J. Pfeifer J. . . 5189 2 6 A. Bax A. . . 5189 2 stop_ save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 5189 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Garrett, D.S., Powers, R., Gronenborn, A.M. and Clore, G.M. (1991) J. Magn. Reson., 95, 214-220. ; _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_S100A11 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_S100A11 _Assembly.Entry_ID 5189 _Assembly.ID 1 _Assembly.Name 'S100A11 homodimer' _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 dimer 5189 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 'S100A11 subunit A' 1 $S100A11 . . . native . . . . . 5189 1 2 'S100A11 subunit B' 1 $S100A11 . . . native . . . . . 5189 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'S100A11 homodimer' system 5189 1 S100A11 abbreviation 5189 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'calcium-binding protein' 5189 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A11 _Entity.Sf_category entity _Entity.Sf_framecode S100A11 _Entity.Entry_ID 5189 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A11 _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 ; MSRPTETERCIESLIAVFQK YAGKDGHSVTLSKTEFLSFM NTELAAFTKNQKDPGVLDRM MKKLDLNSDGQLDFQEFLNL IGGLAVACHESFVKAAPPQK RF ; _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 102 _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 11298.57 _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 1NSH . "Solution Structure Of Rabbit Apo-S100a11 (19 Models)" . . . . . 99.02 101 100.00 100.00 9.02e-68 . . . . 5189 1 2 no DBJ BAA01443 . "calgizzarin [Oryctolagus cuniculus]" . . . . . 100.00 102 100.00 100.00 1.15e-68 . . . . 5189 1 3 no REF NP_001075656 . "protein S100-A11 [Oryctolagus cuniculus]" . . . . . 100.00 102 100.00 100.00 1.15e-68 . . . . 5189 1 4 no SP P24480 . "RecName: Full=Protein S100-A11; AltName: Full=Calgizzarin; AltName: Full=Protein S100-C; AltName: Full=S100 calcium-binding pro" . . . . . 100.00 102 100.00 100.00 1.15e-68 . . . . 5189 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID S100A11 common 5189 1 S100A11 abbreviation 5189 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 0 MET . 5189 1 2 1 SER . 5189 1 3 2 ARG . 5189 1 4 3 PRO . 5189 1 5 4 THR . 5189 1 6 5 GLU . 5189 1 7 6 THR . 5189 1 8 7 GLU . 5189 1 9 8 ARG . 5189 1 10 9 CYS . 5189 1 11 10 ILE . 5189 1 12 11 GLU . 5189 1 13 12 SER . 5189 1 14 13 LEU . 5189 1 15 14 ILE . 5189 1 16 15 ALA . 5189 1 17 16 VAL . 5189 1 18 17 PHE . 5189 1 19 18 GLN . 5189 1 20 19 LYS . 5189 1 21 20 TYR . 5189 1 22 21 ALA . 5189 1 23 22 GLY . 5189 1 24 23 LYS . 5189 1 25 24 ASP . 5189 1 26 25 GLY . 5189 1 27 26 HIS . 5189 1 28 27 SER . 5189 1 29 28 VAL . 5189 1 30 29 THR . 5189 1 31 30 LEU . 5189 1 32 31 SER . 5189 1 33 32 LYS . 5189 1 34 33 THR . 5189 1 35 34 GLU . 5189 1 36 35 PHE . 5189 1 37 36 LEU . 5189 1 38 37 SER . 5189 1 39 38 PHE . 5189 1 40 39 MET . 5189 1 41 40 ASN . 5189 1 42 41 THR . 5189 1 43 42 GLU . 5189 1 44 43 LEU . 5189 1 45 44 ALA . 5189 1 46 45 ALA . 5189 1 47 46 PHE . 5189 1 48 47 THR . 5189 1 49 48 LYS . 5189 1 50 49 ASN . 5189 1 51 50 GLN . 5189 1 52 51 LYS . 5189 1 53 52 ASP . 5189 1 54 53 PRO . 5189 1 55 54 GLY . 5189 1 56 55 VAL . 5189 1 57 56 LEU . 5189 1 58 57 ASP . 5189 1 59 58 ARG . 5189 1 60 59 MET . 5189 1 61 60 MET . 5189 1 62 61 LYS . 5189 1 63 62 LYS . 5189 1 64 63 LEU . 5189 1 65 64 ASP . 5189 1 66 65 LEU . 5189 1 67 66 ASN . 5189 1 68 67 SER . 5189 1 69 68 ASP . 5189 1 70 69 GLY . 5189 1 71 70 GLN . 5189 1 72 71 LEU . 5189 1 73 72 ASP . 5189 1 74 73 PHE . 5189 1 75 74 GLN . 5189 1 76 75 GLU . 5189 1 77 76 PHE . 5189 1 78 77 LEU . 5189 1 79 78 ASN . 5189 1 80 79 LEU . 5189 1 81 80 ILE . 5189 1 82 81 GLY . 5189 1 83 82 GLY . 5189 1 84 83 LEU . 5189 1 85 84 ALA . 5189 1 86 85 VAL . 5189 1 87 86 ALA . 5189 1 88 87 CYS . 5189 1 89 88 HIS . 5189 1 90 89 GLU . 5189 1 91 90 SER . 5189 1 92 91 PHE . 5189 1 93 92 VAL . 5189 1 94 93 LYS . 5189 1 95 94 ALA . 5189 1 96 95 ALA . 5189 1 97 96 PRO . 5189 1 98 97 PRO . 5189 1 99 98 GLN . 5189 1 100 99 LYS . 5189 1 101 100 ARG . 5189 1 102 101 PHE . 5189 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 5189 1 . SER 2 2 5189 1 . ARG 3 3 5189 1 . PRO 4 4 5189 1 . THR 5 5 5189 1 . GLU 6 6 5189 1 . THR 7 7 5189 1 . GLU 8 8 5189 1 . ARG 9 9 5189 1 . CYS 10 10 5189 1 . ILE 11 11 5189 1 . GLU 12 12 5189 1 . SER 13 13 5189 1 . LEU 14 14 5189 1 . ILE 15 15 5189 1 . ALA 16 16 5189 1 . VAL 17 17 5189 1 . PHE 18 18 5189 1 . GLN 19 19 5189 1 . LYS 20 20 5189 1 . TYR 21 21 5189 1 . ALA 22 22 5189 1 . GLY 23 23 5189 1 . LYS 24 24 5189 1 . ASP 25 25 5189 1 . GLY 26 26 5189 1 . HIS 27 27 5189 1 . SER 28 28 5189 1 . VAL 29 29 5189 1 . THR 30 30 5189 1 . LEU 31 31 5189 1 . SER 32 32 5189 1 . LYS 33 33 5189 1 . THR 34 34 5189 1 . GLU 35 35 5189 1 . PHE 36 36 5189 1 . LEU 37 37 5189 1 . SER 38 38 5189 1 . PHE 39 39 5189 1 . MET 40 40 5189 1 . ASN 41 41 5189 1 . THR 42 42 5189 1 . GLU 43 43 5189 1 . LEU 44 44 5189 1 . ALA 45 45 5189 1 . ALA 46 46 5189 1 . PHE 47 47 5189 1 . THR 48 48 5189 1 . LYS 49 49 5189 1 . ASN 50 50 5189 1 . GLN 51 51 5189 1 . LYS 52 52 5189 1 . ASP 53 53 5189 1 . PRO 54 54 5189 1 . GLY 55 55 5189 1 . VAL 56 56 5189 1 . LEU 57 57 5189 1 . ASP 58 58 5189 1 . ARG 59 59 5189 1 . MET 60 60 5189 1 . MET 61 61 5189 1 . LYS 62 62 5189 1 . LYS 63 63 5189 1 . LEU 64 64 5189 1 . ASP 65 65 5189 1 . LEU 66 66 5189 1 . ASN 67 67 5189 1 . SER 68 68 5189 1 . ASP 69 69 5189 1 . GLY 70 70 5189 1 . GLN 71 71 5189 1 . LEU 72 72 5189 1 . ASP 73 73 5189 1 . PHE 74 74 5189 1 . GLN 75 75 5189 1 . GLU 76 76 5189 1 . PHE 77 77 5189 1 . LEU 78 78 5189 1 . ASN 79 79 5189 1 . LEU 80 80 5189 1 . ILE 81 81 5189 1 . GLY 82 82 5189 1 . GLY 83 83 5189 1 . LEU 84 84 5189 1 . ALA 85 85 5189 1 . VAL 86 86 5189 1 . ALA 87 87 5189 1 . CYS 88 88 5189 1 . HIS 89 89 5189 1 . GLU 90 90 5189 1 . SER 91 91 5189 1 . PHE 92 92 5189 1 . VAL 93 93 5189 1 . LYS 94 94 5189 1 . ALA 95 95 5189 1 . ALA 96 96 5189 1 . PRO 97 97 5189 1 . PRO 98 98 5189 1 . GLN 99 99 5189 1 . LYS 100 100 5189 1 . ARG 101 101 5189 1 . PHE 102 102 5189 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 5189 _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 $S100A11 . 9986 organism . 'Oryctolagus cuniculus' Rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . 'smooth muscle and non-muscle' . . . . . . . . . . . S100A11 . . . . 5189 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 5189 _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 $S100A11 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21DE3 . . . . . . . . . . . . plasmid . . pAED4/S100A11 . . . . . . 5189 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5189 _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 S100A11 '[U-15N; U-13C]' . . 1 $S100A11 . . 2.0 . . mM . . . . 5189 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5189 _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 S100A11 '[U-15N]-Gly,Ser S100A11' . . 1 $S100A11 . . 2.0 . . mM . . . . 5189 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_1_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_1_conditions _Sample_condition_list.Entry_ID 5189 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.25 0.01 n/a 5189 1 temperature 308 0.1 K 5189 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5189 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5189 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $reference_1 5189 1 stop_ save_ save_Pipp _Software.Sf_category software _Software.Sf_framecode Pipp _Software.Entry_ID 5189 _Software.ID 2 _Software.Name Pipp _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5189 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $reference_2 5189 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 5189 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5189 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5189 _NMR_spectrometer.ID 3 _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 5189 _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 UNITY . 500 . . . 5189 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5189 1 3 NMR_spectrometer_3 Varian INOVA . 800 . . . 5189 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 5189 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 2 HNCA . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 4 HC(CO)NH . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 5 HNCACB . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 7 HNCO . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 8 C(CO)NH . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 9 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 10 13C-HSQC . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 1 11 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 5189 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 5189 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N 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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 10 _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5189 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-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_ #################### # 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 5189 _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 . . . . . . . . . 5189 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5189 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5189 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5189 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_1_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5189 1 . . 2 $sample_2 . 5189 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 10.44 0.01 . 1 . . . . 1 . . . 5189 1 2 . 1 1 2 2 SER HA H 1 4.11 0.01 . 1 . . . . 1 . . . 5189 1 3 . 1 1 2 2 SER HB2 H 1 3.42 0.01 . 1 . . . . 1 . . . 5189 1 4 . 1 1 2 2 SER HB3 H 1 3.42 0.01 . 1 . . . . 1 . . . 5189 1 5 . 1 1 2 2 SER CA C 13 61.99 0.20 . 1 . . . . 1 . . . 5189 1 6 . 1 1 2 2 SER CB C 13 62.46 0.20 . 1 . . . . 1 . . . 5189 1 7 . 1 1 2 2 SER N N 15 118.50 0.20 . 1 . . . . 1 . . . 5189 1 8 . 1 1 4 4 PRO HA H 1 4.79 0.01 . 1 . . . . 3 . . . 5189 1 9 . 1 1 4 4 PRO HB2 H 1 1.92 0.01 . 2 . . . . 3 . . . 5189 1 10 . 1 1 4 4 PRO HB3 H 1 2.36 0.01 . 2 . . . . 3 . . . 5189 1 11 . 1 1 4 4 PRO HG2 H 1 2.05 0.01 . 1 . . . . 3 . . . 5189 1 12 . 1 1 4 4 PRO HG3 H 1 2.05 0.01 . 1 . . . . 3 . . . 5189 1 13 . 1 1 4 4 PRO HD2 H 1 3.64 0.01 . 2 . . . . 3 . . . 5189 1 14 . 1 1 4 4 PRO HD3 H 1 3.85 0.01 . 2 . . . . 3 . . . 5189 1 15 . 1 1 4 4 PRO C C 13 177.98 0.20 . 1 . . . . 3 . . . 5189 1 16 . 1 1 4 4 PRO CA C 13 62.97 0.20 . 1 . . . . 3 . . . 5189 1 17 . 1 1 4 4 PRO CB C 13 32.54 0.20 . 1 . . . . 3 . . . 5189 1 18 . 1 1 4 4 PRO CG C 13 27.17 0.20 . 1 . . . . 3 . . . 5189 1 19 . 1 1 4 4 PRO CD C 13 50.97 0.20 . 1 . . . . 3 . . . 5189 1 20 . 1 1 5 5 THR H H 1 8.90 0.01 . 1 . . . . 4 . . . 5189 1 21 . 1 1 5 5 THR HA H 1 4.55 0.01 . 1 . . . . 4 . . . 5189 1 22 . 1 1 5 5 THR HB H 1 5.03 0.01 . 1 . . . . 4 . . . 5189 1 23 . 1 1 5 5 THR HG21 H 1 1.56 0.01 . 1 . . . . 4 . . . 5189 1 24 . 1 1 5 5 THR HG22 H 1 1.56 0.01 . 1 . . . . 4 . . . 5189 1 25 . 1 1 5 5 THR HG23 H 1 1.56 0.01 . 1 . . . . 4 . . . 5189 1 26 . 1 1 5 5 THR C C 13 175.22 0.20 . 1 . . . . 4 . . . 5189 1 27 . 1 1 5 5 THR CA C 13 61.16 0.20 . 1 . . . . 4 . . . 5189 1 28 . 1 1 5 5 THR CB C 13 71.29 0.20 . 1 . . . . 4 . . . 5189 1 29 . 1 1 5 5 THR CG2 C 13 22.17 0.20 . 1 . . . . 4 . . . 5189 1 30 . 1 1 5 5 THR N N 15 114.56 0.20 . 1 . . . . 4 . . . 5189 1 31 . 1 1 6 6 GLU H H 1 9.24 0.01 . 1 . . . . 5 . . . 5189 1 32 . 1 1 6 6 GLU HA H 1 4.30 0.01 . 1 . . . . 5 . . . 5189 1 33 . 1 1 6 6 GLU HB2 H 1 2.13 0.01 . 2 . . . . 5 . . . 5189 1 34 . 1 1 6 6 GLU HB3 H 1 2.24 0.01 . 2 . . . . 5 . . . 5189 1 35 . 1 1 6 6 GLU HG2 H 1 2.48 0.01 . 2 . . . . 5 . . . 5189 1 36 . 1 1 6 6 GLU HG3 H 1 2.37 0.01 . 2 . . . . 5 . . . 5189 1 37 . 1 1 6 6 GLU C C 13 179.37 0.20 . 1 . . . . 5 . . . 5189 1 38 . 1 1 6 6 GLU CA C 13 59.89 0.20 . 1 . . . . 5 . . . 5189 1 39 . 1 1 6 6 GLU CB C 13 29.37 0.20 . 1 . . . . 5 . . . 5189 1 40 . 1 1 6 6 GLU CG C 13 35.88 0.20 . 1 . . . . 5 . . . 5189 1 41 . 1 1 6 6 GLU N N 15 122.16 0.20 . 1 . . . . 5 . . . 5189 1 42 . 1 1 7 7 THR H H 1 8.57 0.01 . 1 . . . . 6 . . . 5189 1 43 . 1 1 7 7 THR HA H 1 3.89 0.01 . 1 . . . . 6 . . . 5189 1 44 . 1 1 7 7 THR HB H 1 4.10 0.01 . 1 . . . . 6 . . . 5189 1 45 . 1 1 7 7 THR HG21 H 1 1.25 0.01 . 1 . . . . 6 . . . 5189 1 46 . 1 1 7 7 THR HG22 H 1 1.25 0.01 . 1 . . . . 6 . . . 5189 1 47 . 1 1 7 7 THR HG23 H 1 1.25 0.01 . 1 . . . . 6 . . . 5189 1 48 . 1 1 7 7 THR C C 13 176.42 0.20 . 1 . . . . 6 . . . 5189 1 49 . 1 1 7 7 THR CA C 13 68.96 0.20 . 1 . . . . 6 . . . 5189 1 50 . 1 1 7 7 THR CB C 13 68.00 0.20 . 1 . . . . 6 . . . 5189 1 51 . 1 1 7 7 THR CG2 C 13 21.87 0.20 . 1 . . . . 6 . . . 5189 1 52 . 1 1 7 7 THR N N 15 116.76 0.20 . 1 . . . . 6 . . . 5189 1 53 . 1 1 8 8 GLU H H 1 8.03 0.01 . 1 . . . . 7 . . . 5189 1 54 . 1 1 8 8 GLU HA H 1 3.68 0.01 . 1 . . . . 7 . . . 5189 1 55 . 1 1 8 8 GLU HB2 H 1 2.09 0.01 . 2 . . . . 7 . . . 5189 1 56 . 1 1 8 8 GLU HB3 H 1 2.44 0.01 . 2 . . . . 7 . . . 5189 1 57 . 1 1 8 8 GLU HG2 H 1 2.68 0.01 . 2 . . . . 7 . . . 5189 1 58 . 1 1 8 8 GLU HG3 H 1 2.07 0.01 . 2 . . . . 7 . . . 5189 1 59 . 1 1 8 8 GLU C C 13 179.14 0.20 . 1 . . . . 7 . . . 5189 1 60 . 1 1 8 8 GLU CA C 13 60.68 0.20 . 1 . . . . 7 . . . 5189 1 61 . 1 1 8 8 GLU CB C 13 29.88 0.20 . 1 . . . . 7 . . . 5189 1 62 . 1 1 8 8 GLU CG C 13 37.94 0.20 . 1 . . . . 7 . . . 5189 1 63 . 1 1 8 8 GLU N N 15 122.65 0.20 . 1 . . . . 7 . . . 5189 1 64 . 1 1 9 9 ARG H H 1 8.53 0.01 . 1 . . . . 8 . . . 5189 1 65 . 1 1 9 9 ARG HA H 1 4.14 0.01 . 1 . . . . 8 . . . 5189 1 66 . 1 1 9 9 ARG HB2 H 1 2.09 0.01 . 1 . . . . 8 . . . 5189 1 67 . 1 1 9 9 ARG HB3 H 1 2.09 0.01 . 1 . . . . 8 . . . 5189 1 68 . 1 1 9 9 ARG HG2 H 1 1.88 0.01 . 2 . . . . 8 . . . 5189 1 69 . 1 1 9 9 ARG HG3 H 1 1.75 0.01 . 2 . . . . 8 . . . 5189 1 70 . 1 1 9 9 ARG HD2 H 1 3.33 0.01 . 2 . . . . 8 . . . 5189 1 71 . 1 1 9 9 ARG HD3 H 1 3.26 0.01 . 2 . . . . 8 . . . 5189 1 72 . 1 1 9 9 ARG CA C 13 59.89 0.20 . 1 . . . . 8 . . . 5189 1 73 . 1 1 9 9 ARG CB C 13 30.06 0.20 . 1 . . . . 8 . . . 5189 1 74 . 1 1 9 9 ARG CG C 13 27.15 0.20 . 1 . . . . 8 . . . 5189 1 75 . 1 1 9 9 ARG CD C 13 43.58 0.20 . 1 . . . . 8 . . . 5189 1 76 . 1 1 9 9 ARG N N 15 119.47 0.20 . 1 . . . . 8 . . . 5189 1 77 . 1 1 10 10 CYS H H 1 8.50 0.01 . 1 . . . . 9 . . . 5189 1 78 . 1 1 10 10 CYS HA H 1 4.47 0.01 . 1 . . . . 9 . . . 5189 1 79 . 1 1 10 10 CYS HB2 H 1 2.65 0.01 . 2 . . . . 9 . . . 5189 1 80 . 1 1 10 10 CYS HB3 H 1 3.57 0.01 . 2 . . . . 9 . . . 5189 1 81 . 1 1 10 10 CYS C C 13 177.07 0.20 . 1 . . . . 9 . . . 5189 1 82 . 1 1 10 10 CYS CA C 13 63.95 0.20 . 1 . . . . 9 . . . 5189 1 83 . 1 1 10 10 CYS CB C 13 27.33 0.20 . 1 . . . . 9 . . . 5189 1 84 . 1 1 10 10 CYS N N 15 118.60 0.20 . 1 . . . . 9 . . . 5189 1 85 . 1 1 11 11 ILE H H 1 8.43 0.01 . 1 . . . . 10 . . . 5189 1 86 . 1 1 11 11 ILE HA H 1 3.91 0.01 . 1 . . . . 10 . . . 5189 1 87 . 1 1 11 11 ILE HB H 1 2.18 0.01 . 1 . . . . 10 . . . 5189 1 88 . 1 1 11 11 ILE HG12 H 1 1.56 0.01 . 1 . . . . 10 . . . 5189 1 89 . 1 1 11 11 ILE HG13 H 1 1.56 0.01 . 1 . . . . 10 . . . 5189 1 90 . 1 1 11 11 ILE HD11 H 1 0.76 0.01 . 1 . . . . 10 . . . 5189 1 91 . 1 1 11 11 ILE HD12 H 1 0.76 0.01 . 1 . . . . 10 . . . 5189 1 92 . 1 1 11 11 ILE HD13 H 1 0.76 0.01 . 1 . . . . 10 . . . 5189 1 93 . 1 1 11 11 ILE HG21 H 1 0.96 0.01 . 1 . . . . 10 . . . 5189 1 94 . 1 1 11 11 ILE HG22 H 1 0.96 0.01 . 1 . . . . 10 . . . 5189 1 95 . 1 1 11 11 ILE HG23 H 1 0.96 0.01 . 1 . . . . 10 . . . 5189 1 96 . 1 1 11 11 ILE C C 13 177.63 0.20 . 1 . . . . 10 . . . 5189 1 97 . 1 1 11 11 ILE CA C 13 64.23 0.20 . 1 . . . . 10 . . . 5189 1 98 . 1 1 11 11 ILE CB C 13 35.98 0.20 . 1 . . . . 10 . . . 5189 1 99 . 1 1 11 11 ILE CG1 C 13 28.70 0.20 . 1 . . . . 10 . . . 5189 1 100 . 1 1 11 11 ILE CD1 C 13 12.12 0.20 . 1 . . . . 10 . . . 5189 1 101 . 1 1 11 11 ILE CG2 C 13 17.46 0.20 . 1 . . . . 10 . . . 5189 1 102 . 1 1 11 11 ILE N N 15 119.51 0.20 . 1 . . . . 10 . . . 5189 1 103 . 1 1 12 12 GLU H H 1 8.44 0.01 . 1 . . . . 11 . . . 5189 1 104 . 1 1 12 12 GLU HA H 1 3.91 0.01 . 1 . . . . 11 . . . 5189 1 105 . 1 1 12 12 GLU HB2 H 1 2.23 0.01 . 2 . . . . 11 . . . 5189 1 106 . 1 1 12 12 GLU HB3 H 1 2.31 0.01 . 2 . . . . 11 . . . 5189 1 107 . 1 1 12 12 GLU HG2 H 1 2.40 0.01 . 2 . . . . 11 . . . 5189 1 108 . 1 1 12 12 GLU HG3 H 1 2.57 0.01 . 2 . . . . 11 . . . 5189 1 109 . 1 1 12 12 GLU C C 13 179.92 0.20 . 1 . . . . 11 . . . 5189 1 110 . 1 1 12 12 GLU CA C 13 60.30 0.20 . 1 . . . . 11 . . . 5189 1 111 . 1 1 12 12 GLU CB C 13 29.34 0.20 . 1 . . . . 11 . . . 5189 1 112 . 1 1 12 12 GLU CG C 13 36.37 0.20 . 1 . . . . 11 . . . 5189 1 113 . 1 1 12 12 GLU N N 15 119.51 0.20 . 1 . . . . 11 . . . 5189 1 114 . 1 1 13 13 SER H H 1 8.28 0.01 . 1 . . . . 12 . . . 5189 1 115 . 1 1 13 13 SER HA H 1 4.39 0.01 . 1 . . . . 12 . . . 5189 1 116 . 1 1 13 13 SER HB2 H 1 4.17 0.01 . 2 . . . . 12 . . . 5189 1 117 . 1 1 13 13 SER HB3 H 1 4.30 0.01 . 2 . . . . 12 . . . 5189 1 118 . 1 1 13 13 SER C C 13 177.24 0.20 . 1 . . . . 12 . . . 5189 1 119 . 1 1 13 13 SER CA C 13 61.32 0.20 . 1 . . . . 12 . . . 5189 1 120 . 1 1 13 13 SER CB C 13 63.66 0.20 . 1 . . . . 12 . . . 5189 1 121 . 1 1 13 13 SER N N 15 116.35 0.20 . 1 . . . . 12 . . . 5189 1 122 . 1 1 14 14 LEU H H 1 8.40 0.01 . 1 . . . . 13 . . . 5189 1 123 . 1 1 14 14 LEU HA H 1 4.53 0.01 . 1 . . . . 13 . . . 5189 1 124 . 1 1 14 14 LEU HB2 H 1 1.69 0.01 . 2 . . . . 13 . . . 5189 1 125 . 1 1 14 14 LEU HB3 H 1 2.48 0.01 . 2 . . . . 13 . . . 5189 1 126 . 1 1 14 14 LEU HG H 1 0.88 0.01 . 1 . . . . 13 . . . 5189 1 127 . 1 1 14 14 LEU HD11 H 1 1.08 0.01 . 2 . . . . 13 . . . 5189 1 128 . 1 1 14 14 LEU HD12 H 1 1.08 0.01 . 2 . . . . 13 . . . 5189 1 129 . 1 1 14 14 LEU HD13 H 1 1.08 0.01 . 2 . . . . 13 . . . 5189 1 130 . 1 1 14 14 LEU HD21 H 1 0.89 0.01 . 2 . . . . 13 . . . 5189 1 131 . 1 1 14 14 LEU HD22 H 1 0.89 0.01 . 2 . . . . 13 . . . 5189 1 132 . 1 1 14 14 LEU HD23 H 1 0.89 0.01 . 2 . . . . 13 . . . 5189 1 133 . 1 1 14 14 LEU C C 13 179.01 0.20 . 1 . . . . 13 . . . 5189 1 134 . 1 1 14 14 LEU CA C 13 58.17 0.20 . 1 . . . . 13 . . . 5189 1 135 . 1 1 14 14 LEU CB C 13 42.42 0.20 . 1 . . . . 13 . . . 5189 1 136 . 1 1 14 14 LEU CG C 13 26.17 0.20 . 1 . . . . 13 . . . 5189 1 137 . 1 1 14 14 LEU CD1 C 13 23.15 0.20 . 2 . . . . 13 . . . 5189 1 138 . 1 1 14 14 LEU CD2 C 13 25.77 0.20 . 2 . . . . 13 . . . 5189 1 139 . 1 1 14 14 LEU N N 15 122.66 0.20 . 1 . . . . 13 . . . 5189 1 140 . 1 1 15 15 ILE H H 1 8.70 0.01 . 1 . . . . 14 . . . 5189 1 141 . 1 1 15 15 ILE HA H 1 3.38 0.01 . 1 . . . . 14 . . . 5189 1 142 . 1 1 15 15 ILE HB H 1 1.66 0.01 . 1 . . . . 14 . . . 5189 1 143 . 1 1 15 15 ILE HG12 H 1 -0.45 0.01 . 2 . . . . 14 . . . 5189 1 144 . 1 1 15 15 ILE HG13 H 1 1.55 0.01 . 2 . . . . 14 . . . 5189 1 145 . 1 1 15 15 ILE HD11 H 1 -0.05 0.01 . 1 . . . . 14 . . . 5189 1 146 . 1 1 15 15 ILE HD12 H 1 -0.05 0.01 . 1 . . . . 14 . . . 5189 1 147 . 1 1 15 15 ILE HD13 H 1 -0.05 0.01 . 1 . . . . 14 . . . 5189 1 148 . 1 1 15 15 ILE HG21 H 1 0.27 0.01 . 1 . . . . 14 . . . 5189 1 149 . 1 1 15 15 ILE HG22 H 1 0.27 0.01 . 1 . . . . 14 . . . 5189 1 150 . 1 1 15 15 ILE HG23 H 1 0.27 0.01 . 1 . . . . 14 . . . 5189 1 151 . 1 1 15 15 ILE C C 13 177.46 0.20 . 1 . . . . 14 . . . 5189 1 152 . 1 1 15 15 ILE CA C 13 66.23 0.20 . 1 . . . . 14 . . . 5189 1 153 . 1 1 15 15 ILE CB C 13 38.01 0.20 . 1 . . . . 14 . . . 5189 1 154 . 1 1 15 15 ILE CG1 C 13 29.48 0.20 . 1 . . . . 14 . . . 5189 1 155 . 1 1 15 15 ILE CD1 C 13 13.20 0.20 . 1 . . . . 14 . . . 5189 1 156 . 1 1 15 15 ILE CG2 C 13 16.29 0.20 . 1 . . . . 14 . . . 5189 1 157 . 1 1 15 15 ILE N N 15 121.82 0.20 . 1 . . . . 14 . . . 5189 1 158 . 1 1 16 16 ALA H H 1 7.81 0.01 . 1 . . . . 15 . . . 5189 1 159 . 1 1 16 16 ALA HA H 1 4.26 0.01 . 1 . . . . 15 . . . 5189 1 160 . 1 1 16 16 ALA HB1 H 1 1.65 0.01 . 1 . . . . 15 . . . 5189 1 161 . 1 1 16 16 ALA HB2 H 1 1.65 0.01 . 1 . . . . 15 . . . 5189 1 162 . 1 1 16 16 ALA HB3 H 1 1.65 0.01 . 1 . . . . 15 . . . 5189 1 163 . 1 1 16 16 ALA C C 13 167.39 0.20 . 1 . . . . 15 . . . 5189 1 164 . 1 1 16 16 ALA CA C 13 55.38 0.20 . 1 . . . . 15 . . . 5189 1 165 . 1 1 16 16 ALA CB C 13 17.97 0.20 . 1 . . . . 15 . . . 5189 1 166 . 1 1 16 16 ALA N N 15 121.29 0.20 . 1 . . . . 15 . . . 5189 1 167 . 1 1 17 17 VAL H H 1 8.33 0.01 . 1 . . . . 16 . . . 5189 1 168 . 1 1 17 17 VAL HA H 1 4.16 0.01 . 1 . . . . 16 . . . 5189 1 169 . 1 1 17 17 VAL HB H 1 2.47 0.01 . 1 . . . . 16 . . . 5189 1 170 . 1 1 17 17 VAL HG11 H 1 1.48 0.01 . 2 . . . . 16 . . . 5189 1 171 . 1 1 17 17 VAL HG12 H 1 1.48 0.01 . 2 . . . . 16 . . . 5189 1 172 . 1 1 17 17 VAL HG13 H 1 1.48 0.01 . 2 . . . . 16 . . . 5189 1 173 . 1 1 17 17 VAL HG21 H 1 1.62 0.01 . 2 . . . . 16 . . . 5189 1 174 . 1 1 17 17 VAL HG22 H 1 1.62 0.01 . 2 . . . . 16 . . . 5189 1 175 . 1 1 17 17 VAL HG23 H 1 1.62 0.01 . 2 . . . . 16 . . . 5189 1 176 . 1 1 17 17 VAL C C 13 177.00 0.20 . 1 . . . . 16 . . . 5189 1 177 . 1 1 17 17 VAL CA C 13 66.39 0.20 . 1 . . . . 16 . . . 5189 1 178 . 1 1 17 17 VAL CB C 13 32.14 0.20 . 1 . . . . 16 . . . 5189 1 179 . 1 1 17 17 VAL CG1 C 13 23.60 0.20 . 2 . . . . 16 . . . 5189 1 180 . 1 1 17 17 VAL CG2 C 13 21.50 0.20 . 2 . . . . 16 . . . 5189 1 181 . 1 1 17 17 VAL N N 15 120.36 0.20 . 1 . . . . 16 . . . 5189 1 182 . 1 1 18 18 PHE H H 1 8.36 0.01 . 1 . . . . 17 . . . 5189 1 183 . 1 1 18 18 PHE HA H 1 3.55 0.01 . 1 . . . . 17 . . . 5189 1 184 . 1 1 18 18 PHE HB2 H 1 2.78 0.01 . 2 . . . . 17 . . . 5189 1 185 . 1 1 18 18 PHE HB3 H 1 3.44 0.01 . 2 . . . . 17 . . . 5189 1 186 . 1 1 18 18 PHE HD1 H 1 6.87 0.01 . 1 . . . . 17 . . . 5189 1 187 . 1 1 18 18 PHE HD2 H 1 6.87 0.01 . 1 . . . . 17 . . . 5189 1 188 . 1 1 18 18 PHE HE1 H 1 6.41 0.01 . 1 . . . . 17 . . . 5189 1 189 . 1 1 18 18 PHE HE2 H 1 6.41 0.01 . 1 . . . . 17 . . . 5189 1 190 . 1 1 18 18 PHE C C 13 176.83 0.20 . 1 . . . . 17 . . . 5189 1 191 . 1 1 18 18 PHE CA C 13 61.97 0.20 . 1 . . . . 17 . . . 5189 1 192 . 1 1 18 18 PHE CB C 13 39.42 0.20 . 1 . . . . 17 . . . 5189 1 193 . 1 1 18 18 PHE N N 15 123.38 0.20 . 1 . . . . 17 . . . 5189 1 194 . 1 1 19 19 GLN H H 1 8.66 0.01 . 1 . . . . 18 . . . 5189 1 195 . 1 1 19 19 GLN HA H 1 3.83 0.01 . 1 . . . . 18 . . . 5189 1 196 . 1 1 19 19 GLN HB2 H 1 2.05 0.01 . 2 . . . . 18 . . . 5189 1 197 . 1 1 19 19 GLN HB3 H 1 2.26 0.01 . 2 . . . . 18 . . . 5189 1 198 . 1 1 19 19 GLN HG2 H 1 2.48 0.01 . 2 . . . . 18 . . . 5189 1 199 . 1 1 19 19 GLN HG3 H 1 2.80 0.01 . 2 . . . . 18 . . . 5189 1 200 . 1 1 19 19 GLN HE21 H 1 6.80 0.01 . 2 . . . . 18 . . . 5189 1 201 . 1 1 19 19 GLN HE22 H 1 6.65 0.01 . 2 . . . . 18 . . . 5189 1 202 . 1 1 19 19 GLN C C 13 178.71 0.20 . 1 . . . . 18 . . . 5189 1 203 . 1 1 19 19 GLN CA C 13 59.30 0.20 . 1 . . . . 18 . . . 5189 1 204 . 1 1 19 19 GLN CB C 13 28.59 0.20 . 1 . . . . 18 . . . 5189 1 205 . 1 1 19 19 GLN CG C 13 35.16 0.20 . 1 . . . . 18 . . . 5189 1 206 . 1 1 19 19 GLN CD C 13 179.61 0.20 . 1 . . . . 18 . . . 5189 1 207 . 1 1 19 19 GLN N N 15 114.97 0.20 . 1 . . . . 18 . . . 5189 1 208 . 1 1 19 19 GLN NE2 N 15 109.48 0.20 . 1 . . . . 18 . . . 5189 1 209 . 1 1 20 20 LYS H H 1 8.04 0.01 . 1 . . . . 19 . . . 5189 1 210 . 1 1 20 20 LYS HA H 1 4.03 0.01 . 1 . . . . 19 . . . 5189 1 211 . 1 1 20 20 LYS HB2 H 1 2.20 0.01 . 2 . . . . 19 . . . 5189 1 212 . 1 1 20 20 LYS HB3 H 1 2.04 0.01 . 2 . . . . 19 . . . 5189 1 213 . 1 1 20 20 LYS HG2 H 1 1.03 0.01 . 2 . . . . 19 . . . 5189 1 214 . 1 1 20 20 LYS HG3 H 1 1.44 0.01 . 2 . . . . 19 . . . 5189 1 215 . 1 1 20 20 LYS HD2 H 1 1.63 0.01 . 2 . . . . 19 . . . 5189 1 216 . 1 1 20 20 LYS HD3 H 1 1.70 0.01 . 2 . . . . 19 . . . 5189 1 217 . 1 1 20 20 LYS HE2 H 1 2.90 0.01 . 1 . . . . 19 . . . 5189 1 218 . 1 1 20 20 LYS HE3 H 1 2.90 0.01 . 1 . . . . 19 . . . 5189 1 219 . 1 1 20 20 LYS C C 13 178.62 0.20 . 1 . . . . 19 . . . 5189 1 220 . 1 1 20 20 LYS CA C 13 59.24 0.20 . 1 . . . . 19 . . . 5189 1 221 . 1 1 20 20 LYS CB C 13 32.62 0.20 . 1 . . . . 19 . . . 5189 1 222 . 1 1 20 20 LYS CG C 13 24.76 0.20 . 1 . . . . 19 . . . 5189 1 223 . 1 1 20 20 LYS CD C 13 29.59 0.20 . 1 . . . . 19 . . . 5189 1 224 . 1 1 20 20 LYS CE C 13 42.12 0.20 . 1 . . . . 19 . . . 5189 1 225 . 1 1 20 20 LYS N N 15 121.22 0.20 . 1 . . . . 19 . . . 5189 1 226 . 1 1 21 21 TYR H H 1 7.66 0.01 . 1 . . . . 20 . . . 5189 1 227 . 1 1 21 21 TYR HA H 1 4.07 0.01 . 1 . . . . 20 . . . 5189 1 228 . 1 1 21 21 TYR HB2 H 1 2.67 0.01 . 2 . . . . 20 . . . 5189 1 229 . 1 1 21 21 TYR HB3 H 1 2.93 0.01 . 2 . . . . 20 . . . 5189 1 230 . 1 1 21 21 TYR HD1 H 1 7.70 0.01 . 1 . . . . 20 . . . 5189 1 231 . 1 1 21 21 TYR HD2 H 1 7.70 0.01 . 1 . . . . 20 . . . 5189 1 232 . 1 1 21 21 TYR HE1 H 1 6.90 0.01 . 1 . . . . 20 . . . 5189 1 233 . 1 1 21 21 TYR HE2 H 1 6.90 0.01 . 1 . . . . 20 . . . 5189 1 234 . 1 1 21 21 TYR C C 13 176.55 0.20 . 1 . . . . 20 . . . 5189 1 235 . 1 1 21 21 TYR CA C 13 61.63 0.20 . 1 . . . . 20 . . . 5189 1 236 . 1 1 21 21 TYR CB C 13 39.18 0.20 . 1 . . . . 20 . . . 5189 1 237 . 1 1 21 21 TYR N N 15 116.81 0.20 . 1 . . . . 20 . . . 5189 1 238 . 1 1 21 21 TYR CD1 C 13 133.95 0.20 . 1 . . . . 20 . . . 5189 1 239 . 1 1 21 21 TYR CD2 C 13 133.95 0.20 . 1 . . . . 20 . . . 5189 1 240 . 1 1 21 21 TYR CE1 C 13 118.00 0.20 . 1 . . . . 20 . . . 5189 1 241 . 1 1 21 21 TYR CE2 C 13 118.00 0.20 . 1 . . . . 20 . . . 5189 1 242 . 1 1 22 22 ALA H H 1 8.11 0.01 . 1 . . . . 21 . . . 5189 1 243 . 1 1 22 22 ALA HA H 1 4.13 0.01 . 1 . . . . 21 . . . 5189 1 244 . 1 1 22 22 ALA HB1 H 1 0.84 0.01 . 1 . . . . 21 . . . 5189 1 245 . 1 1 22 22 ALA HB2 H 1 0.84 0.01 . 1 . . . . 21 . . . 5189 1 246 . 1 1 22 22 ALA HB3 H 1 0.84 0.01 . 1 . . . . 21 . . . 5189 1 247 . 1 1 22 22 ALA C C 13 178.56 0.20 . 1 . . . . 21 . . . 5189 1 248 . 1 1 22 22 ALA CA C 13 53.53 0.20 . 1 . . . . 21 . . . 5189 1 249 . 1 1 22 22 ALA CB C 13 18.73 0.20 . 1 . . . . 21 . . . 5189 1 250 . 1 1 22 22 ALA N N 15 122.65 0.20 . 1 . . . . 21 . . . 5189 1 251 . 1 1 23 23 GLY H H 1 7.83 0.01 . 1 . . . . 22 . . . 5189 1 252 . 1 1 23 23 GLY HA2 H 1 3.90 0.01 . 2 . . . . 22 . . . 5189 1 253 . 1 1 23 23 GLY HA3 H 1 4.10 0.01 . 2 . . . . 22 . . . 5189 1 254 . 1 1 23 23 GLY C C 13 175.49 0.20 . 1 . . . . 22 . . . 5189 1 255 . 1 1 23 23 GLY CA C 13 46.16 0.20 . 1 . . . . 22 . . . 5189 1 256 . 1 1 23 23 GLY N N 15 105.02 0.20 . 1 . . . . 22 . . . 5189 1 257 . 1 1 24 24 LYS H H 1 8.08 0.01 . 1 . . . . 23 . . . 5189 1 258 . 1 1 24 24 LYS HA H 1 4.20 0.01 . 1 . . . . 23 . . . 5189 1 259 . 1 1 24 24 LYS HB2 H 1 1.90 0.01 . 2 . . . . 23 . . . 5189 1 260 . 1 1 24 24 LYS HB3 H 1 1.86 0.01 . 2 . . . . 23 . . . 5189 1 261 . 1 1 24 24 LYS HG2 H 1 1.42 0.01 . 2 . . . . 23 . . . 5189 1 262 . 1 1 24 24 LYS HG3 H 1 1.56 0.01 . 2 . . . . 23 . . . 5189 1 263 . 1 1 24 24 LYS HD2 H 1 1.70 0.01 . 1 . . . . 23 . . . 5189 1 264 . 1 1 24 24 LYS HD3 H 1 1.70 0.01 . 1 . . . . 23 . . . 5189 1 265 . 1 1 24 24 LYS HE2 H 1 2.97 0.01 . 1 . . . . 23 . . . 5189 1 266 . 1 1 24 24 LYS HE3 H 1 2.97 0.01 . 1 . . . . 23 . . . 5189 1 267 . 1 1 24 24 LYS C C 13 176.84 0.20 . 1 . . . . 23 . . . 5189 1 268 . 1 1 24 24 LYS CA C 13 57.79 0.20 . 1 . . . . 23 . . . 5189 1 269 . 1 1 24 24 LYS CB C 13 32.40 0.20 . 1 . . . . 23 . . . 5189 1 270 . 1 1 24 24 LYS CG C 13 24.78 0.20 . 1 . . . . 23 . . . 5189 1 271 . 1 1 24 24 LYS CD C 13 29.12 0.20 . 1 . . . . 23 . . . 5189 1 272 . 1 1 24 24 LYS CE C 13 41.93 0.20 . 1 . . . . 23 . . . 5189 1 273 . 1 1 24 24 LYS N N 15 120.96 0.20 . 1 . . . . 23 . . . 5189 1 274 . 1 1 25 25 ASP H H 1 8.19 0.01 . 1 . . . . 24 . . . 5189 1 275 . 1 1 25 25 ASP HA H 1 4.70 0.01 . 1 . . . . 24 . . . 5189 1 276 . 1 1 25 25 ASP HB2 H 1 2.82 0.01 . 2 . . . . 24 . . . 5189 1 277 . 1 1 25 25 ASP HB3 H 1 2.76 0.01 . 2 . . . . 24 . . . 5189 1 278 . 1 1 25 25 ASP C C 13 176.61 0.20 . 1 . . . . 24 . . . 5189 1 279 . 1 1 25 25 ASP CA C 13 53.92 0.20 . 1 . . . . 24 . . . 5189 1 280 . 1 1 25 25 ASP CB C 13 41.21 0.20 . 1 . . . . 24 . . . 5189 1 281 . 1 1 25 25 ASP N N 15 118.17 0.20 . 1 . . . . 24 . . . 5189 1 282 . 1 1 26 26 GLY H H 1 7.98 0.01 . 1 . . . . 25 . . . 5189 1 283 . 1 1 26 26 GLY HA2 H 1 3.83 0.01 . 2 . . . . 25 . . . 5189 1 284 . 1 1 26 26 GLY HA3 H 1 4.09 0.01 . 2 . . . . 25 . . . 5189 1 285 . 1 1 26 26 GLY C C 13 174.26 0.20 . 1 . . . . 25 . . . 5189 1 286 . 1 1 26 26 GLY CA C 13 45.71 0.20 . 1 . . . . 25 . . . 5189 1 287 . 1 1 26 26 GLY N N 15 107.80 0.20 . 1 . . . . 25 . . . 5189 1 288 . 1 1 27 27 HIS H H 1 8.18 0.01 . 1 . . . . 26 . . . 5189 1 289 . 1 1 27 27 HIS HA H 1 4.78 0.01 . 1 . . . . 26 . . . 5189 1 290 . 1 1 27 27 HIS HB2 H 1 3.36 0.01 . 2 . . . . 26 . . . 5189 1 291 . 1 1 27 27 HIS HB3 H 1 3.21 0.01 . 2 . . . . 26 . . . 5189 1 292 . 1 1 27 27 HIS HD2 H 1 7.11 0.01 . 1 . . . . 26 . . . 5189 1 293 . 1 1 27 27 HIS CA C 13 56.26 0.20 . 1 . . . . 26 . . . 5189 1 294 . 1 1 27 27 HIS CB C 13 30.29 0.20 . 1 . . . . 26 . . . 5189 1 295 . 1 1 27 27 HIS CD2 C 13 120.31 0.20 . 1 . . . . 26 . . . 5189 1 296 . 1 1 27 27 HIS CE1 C 13 137.29 0.20 . 1 . . . . 26 . . . 5189 1 297 . 1 1 27 27 HIS N N 15 117.85 0.20 . 1 . . . . 26 . . . 5189 1 298 . 1 1 28 28 SER H H 1 8.50 0.01 . 1 . . . . 27 . . . 5189 1 299 . 1 1 28 28 SER C C 13 174.27 0.20 . 1 . . . . 27 . . . 5189 1 300 . 1 1 28 28 SER CA C 13 59.18 0.20 . 1 . . . . 27 . . . 5189 1 301 . 1 1 28 28 SER CB C 13 63.95 0.20 . 1 . . . . 27 . . . 5189 1 302 . 1 1 28 28 SER N N 15 118.70 0.20 . 1 . . . . 27 . . . 5189 1 303 . 1 1 29 29 VAL H H 1 8.35 0.01 . 1 . . . . 28 . . . 5189 1 304 . 1 1 29 29 VAL HA H 1 4.70 0.01 . 1 . . . . 28 . . . 5189 1 305 . 1 1 29 29 VAL HB H 1 2.61 0.01 . 1 . . . . 28 . . . 5189 1 306 . 1 1 29 29 VAL HG11 H 1 1.07 0.01 . 1 . . . . 28 . . . 5189 1 307 . 1 1 29 29 VAL HG12 H 1 1.07 0.01 . 1 . . . . 28 . . . 5189 1 308 . 1 1 29 29 VAL HG13 H 1 1.07 0.01 . 1 . . . . 28 . . . 5189 1 309 . 1 1 29 29 VAL HG21 H 1 1.07 0.01 . 1 . . . . 28 . . . 5189 1 310 . 1 1 29 29 VAL HG22 H 1 1.07 0.01 . 1 . . . . 28 . . . 5189 1 311 . 1 1 29 29 VAL HG23 H 1 1.07 0.01 . 1 . . . . 28 . . . 5189 1 312 . 1 1 29 29 VAL C C 13 174.88 0.20 . 1 . . . . 28 . . . 5189 1 313 . 1 1 29 29 VAL CA C 13 61.56 0.20 . 1 . . . . 28 . . . 5189 1 314 . 1 1 29 29 VAL CB C 13 32.68 0.20 . 1 . . . . 28 . . . 5189 1 315 . 1 1 29 29 VAL CG1 C 13 22.00 0.20 . 2 . . . . 28 . . . 5189 1 316 . 1 1 29 29 VAL CG2 C 13 19.86 0.20 . 2 . . . . 28 . . . 5189 1 317 . 1 1 29 29 VAL N N 15 115.43 0.20 . 1 . . . . 28 . . . 5189 1 318 . 1 1 30 30 THR H H 1 7.63 0.01 . 1 . . . . 29 . . . 5189 1 319 . 1 1 30 30 THR HA H 1 5.18 0.01 . 1 . . . . 29 . . . 5189 1 320 . 1 1 30 30 THR HB H 1 4.01 0.01 . 1 . . . . 29 . . . 5189 1 321 . 1 1 30 30 THR HG21 H 1 1.10 0.01 . 1 . . . . 29 . . . 5189 1 322 . 1 1 30 30 THR HG22 H 1 1.10 0.01 . 1 . . . . 29 . . . 5189 1 323 . 1 1 30 30 THR HG23 H 1 1.10 0.01 . 1 . . . . 29 . . . 5189 1 324 . 1 1 30 30 THR C C 13 172.05 0.20 . 1 . . . . 29 . . . 5189 1 325 . 1 1 30 30 THR CA C 13 59.54 0.20 . 1 . . . . 29 . . . 5189 1 326 . 1 1 30 30 THR CB C 13 72.33 0.20 . 1 . . . . 29 . . . 5189 1 327 . 1 1 30 30 THR CG2 C 13 21.95 0.20 . 1 . . . . 29 . . . 5189 1 328 . 1 1 30 30 THR N N 15 111.18 0.20 . 1 . . . . 29 . . . 5189 1 329 . 1 1 31 31 LEU H H 1 8.94 0.01 . 1 . . . . 30 . . . 5189 1 330 . 1 1 31 31 LEU HA H 1 4.76 0.01 . 1 . . . . 30 . . . 5189 1 331 . 1 1 31 31 LEU HB2 H 1 1.21 0.01 . 2 . . . . 30 . . . 5189 1 332 . 1 1 31 31 LEU HB3 H 1 1.74 0.01 . 2 . . . . 30 . . . 5189 1 333 . 1 1 31 31 LEU HG H 1 1.62 0.01 . 1 . . . . 30 . . . 5189 1 334 . 1 1 31 31 LEU HD11 H 1 0.67 0.01 . 2 . . . . 30 . . . 5189 1 335 . 1 1 31 31 LEU HD12 H 1 0.67 0.01 . 2 . . . . 30 . . . 5189 1 336 . 1 1 31 31 LEU HD13 H 1 0.67 0.01 . 2 . . . . 30 . . . 5189 1 337 . 1 1 31 31 LEU HD21 H 1 0.69 0.01 . 2 . . . . 30 . . . 5189 1 338 . 1 1 31 31 LEU HD22 H 1 0.69 0.01 . 2 . . . . 30 . . . 5189 1 339 . 1 1 31 31 LEU HD23 H 1 0.69 0.01 . 2 . . . . 30 . . . 5189 1 340 . 1 1 31 31 LEU C C 13 176.10 0.20 . 1 . . . . 30 . . . 5189 1 341 . 1 1 31 31 LEU CA C 13 53.09 0.20 . 1 . . . . 30 . . . 5189 1 342 . 1 1 31 31 LEU CB C 13 46.36 0.20 . 1 . . . . 30 . . . 5189 1 343 . 1 1 31 31 LEU CG C 13 26.20 0.20 . 1 . . . . 30 . . . 5189 1 344 . 1 1 31 31 LEU CD1 C 13 26.38 0.20 . 2 . . . . 30 . . . 5189 1 345 . 1 1 31 31 LEU CD2 C 13 26.90 0.20 . 2 . . . . 30 . . . 5189 1 346 . 1 1 31 31 LEU N N 15 120.87 0.20 . 1 . . . . 30 . . . 5189 1 347 . 1 1 32 32 SER H H 1 9.09 0.01 . 1 . . . . 31 . . . 5189 1 348 . 1 1 32 32 SER HA H 1 4.87 0.01 . 1 . . . . 31 . . . 5189 1 349 . 1 1 32 32 SER HB2 H 1 4.44 0.01 . 2 . . . . 31 . . . 5189 1 350 . 1 1 32 32 SER HB3 H 1 4.09 0.01 . 2 . . . . 31 . . . 5189 1 351 . 1 1 32 32 SER C C 13 175.72 0.20 . 1 . . . . 31 . . . 5189 1 352 . 1 1 32 32 SER CA C 13 57.37 0.20 . 1 . . . . 31 . . . 5189 1 353 . 1 1 32 32 SER CB C 13 65.20 0.20 . 1 . . . . 31 . . . 5189 1 354 . 1 1 32 32 SER N N 15 120.36 0.20 . 1 . . . . 31 . . . 5189 1 355 . 1 1 33 33 LYS H H 1 8.77 0.01 . 1 . . . . 32 . . . 5189 1 356 . 1 1 33 33 LYS HA H 1 3.96 0.01 . 1 . . . . 32 . . . 5189 1 357 . 1 1 33 33 LYS HB2 H 1 1.94 0.01 . 2 . . . . 32 . . . 5189 1 358 . 1 1 33 33 LYS HB3 H 1 2.03 0.01 . 2 . . . . 32 . . . 5189 1 359 . 1 1 33 33 LYS HG2 H 1 1.35 0.01 . 2 . . . . 32 . . . 5189 1 360 . 1 1 33 33 LYS HG3 H 1 1.56 0.01 . 2 . . . . 32 . . . 5189 1 361 . 1 1 33 33 LYS HD2 H 1 1.77 0.01 . 2 . . . . 32 . . . 5189 1 362 . 1 1 33 33 LYS HD3 H 1 1.72 0.01 . 2 . . . . 32 . . . 5189 1 363 . 1 1 33 33 LYS HE2 H 1 2.90 0.01 . 1 . . . . 32 . . . 5189 1 364 . 1 1 33 33 LYS HE3 H 1 2.90 0.01 . 1 . . . . 32 . . . 5189 1 365 . 1 1 33 33 LYS C C 13 178.34 0.20 . 1 . . . . 32 . . . 5189 1 366 . 1 1 33 33 LYS CA C 13 60.92 0.20 . 1 . . . . 32 . . . 5189 1 367 . 1 1 33 33 LYS CB C 13 32.53 0.20 . 1 . . . . 32 . . . 5189 1 368 . 1 1 33 33 LYS CG C 13 25.99 0.20 . 1 . . . . 32 . . . 5189 1 369 . 1 1 33 33 LYS CD C 13 29.84 0.20 . 1 . . . . 32 . . . 5189 1 370 . 1 1 33 33 LYS CE C 13 42.02 0.20 . 1 . . . . 32 . . . 5189 1 371 . 1 1 33 33 LYS N N 15 121.64 0.20 . 1 . . . . 32 . . . 5189 1 372 . 1 1 34 34 THR H H 1 8.06 0.01 . 1 . . . . 33 . . . 5189 1 373 . 1 1 34 34 THR HA H 1 4.03 0.01 . 1 . . . . 33 . . . 5189 1 374 . 1 1 34 34 THR HB H 1 4.21 0.01 . 1 . . . . 33 . . . 5189 1 375 . 1 1 34 34 THR HG21 H 1 1.33 0.01 . 1 . . . . 33 . . . 5189 1 376 . 1 1 34 34 THR HG22 H 1 1.33 0.01 . 1 . . . . 33 . . . 5189 1 377 . 1 1 34 34 THR HG23 H 1 1.33 0.01 . 1 . . . . 33 . . . 5189 1 378 . 1 1 34 34 THR C C 13 177.66 0.20 . 1 . . . . 33 . . . 5189 1 379 . 1 1 34 34 THR CA C 13 66.03 0.20 . 1 . . . . 33 . . . 5189 1 380 . 1 1 34 34 THR CB C 13 68.64 0.20 . 1 . . . . 33 . . . 5189 1 381 . 1 1 34 34 THR CG2 C 13 22.16 0.20 . 1 . . . . 33 . . . 5189 1 382 . 1 1 34 34 THR N N 15 111.40 0.20 . 1 . . . . 33 . . . 5189 1 383 . 1 1 35 35 GLU H H 1 7.85 0.01 . 1 . . . . 34 . . . 5189 1 384 . 1 1 35 35 GLU HA H 1 4.44 0.01 . 1 . . . . 34 . . . 5189 1 385 . 1 1 35 35 GLU HB2 H 1 2.36 0.01 . 2 . . . . 34 . . . 5189 1 386 . 1 1 35 35 GLU HB3 H 1 2.26 0.01 . 2 . . . . 34 . . . 5189 1 387 . 1 1 35 35 GLU HG2 H 1 1.99 0.01 . 1 . . . . 34 . . . 5189 1 388 . 1 1 35 35 GLU HG3 H 1 1.99 0.01 . 1 . . . . 34 . . . 5189 1 389 . 1 1 35 35 GLU C C 13 179.11 0.20 . 1 . . . . 34 . . . 5189 1 390 . 1 1 35 35 GLU CA C 13 58.84 0.20 . 1 . . . . 34 . . . 5189 1 391 . 1 1 35 35 GLU CB C 13 29.64 0.20 . 1 . . . . 34 . . . 5189 1 392 . 1 1 35 35 GLU CG C 13 27.08 0.20 . 1 . . . . 34 . . . 5189 1 393 . 1 1 35 35 GLU N N 15 123.60 0.20 . 1 . . . . 34 . . . 5189 1 394 . 1 1 36 36 PHE H H 1 8.81 0.01 . 1 . . . . 35 . . . 5189 1 395 . 1 1 36 36 PHE HA H 1 4.16 0.01 . 1 . . . . 35 . . . 5189 1 396 . 1 1 36 36 PHE HB2 H 1 3.12 0.01 . 2 . . . . 35 . . . 5189 1 397 . 1 1 36 36 PHE HB3 H 1 3.37 0.01 . 2 . . . . 35 . . . 5189 1 398 . 1 1 36 36 PHE HD1 H 1 7.11 0.01 . 1 . . . . 35 . . . 5189 1 399 . 1 1 36 36 PHE HD2 H 1 7.11 0.01 . 1 . . . . 35 . . . 5189 1 400 . 1 1 36 36 PHE HE1 H 1 7.18 0.01 . 1 . . . . 35 . . . 5189 1 401 . 1 1 36 36 PHE HE2 H 1 7.18 0.01 . 1 . . . . 35 . . . 5189 1 402 . 1 1 36 36 PHE C C 13 176.97 0.20 . 1 . . . . 35 . . . 5189 1 403 . 1 1 36 36 PHE CA C 13 62.44 0.20 . 1 . . . . 35 . . . 5189 1 404 . 1 1 36 36 PHE CB C 13 38.90 0.20 . 1 . . . . 35 . . . 5189 1 405 . 1 1 36 36 PHE CD1 C 13 131.54 0.20 . 3 . . . . 35 . . . 5189 1 406 . 1 1 36 36 PHE N N 15 120.93 0.20 . 1 . . . . 35 . . . 5189 1 407 . 1 1 37 37 LEU H H 1 8.21 0.01 . 1 . . . . 36 . . . 5189 1 408 . 1 1 37 37 LEU HA H 1 3.96 0.01 . 1 . . . . 36 . . . 5189 1 409 . 1 1 37 37 LEU HB2 H 1 1.64 0.01 . 2 . . . . 36 . . . 5189 1 410 . 1 1 37 37 LEU HB3 H 1 2.02 0.01 . 2 . . . . 36 . . . 5189 1 411 . 1 1 37 37 LEU HG H 1 1.01 0.01 . 1 . . . . 36 . . . 5189 1 412 . 1 1 37 37 LEU HD11 H 1 0.98 0.01 . 2 . . . . 36 . . . 5189 1 413 . 1 1 37 37 LEU HD12 H 1 0.98 0.01 . 2 . . . . 36 . . . 5189 1 414 . 1 1 37 37 LEU HD13 H 1 0.98 0.01 . 2 . . . . 36 . . . 5189 1 415 . 1 1 37 37 LEU HD21 H 1 1.01 0.01 . 2 . . . . 36 . . . 5189 1 416 . 1 1 37 37 LEU HD22 H 1 1.01 0.01 . 2 . . . . 36 . . . 5189 1 417 . 1 1 37 37 LEU HD23 H 1 1.01 0.01 . 2 . . . . 36 . . . 5189 1 418 . 1 1 37 37 LEU C C 13 178.96 0.20 . 1 . . . . 36 . . . 5189 1 419 . 1 1 37 37 LEU CA C 13 58.46 0.20 . 1 . . . . 36 . . . 5189 1 420 . 1 1 37 37 LEU CB C 13 40.97 0.20 . 1 . . . . 36 . . . 5189 1 421 . 1 1 37 37 LEU CG C 13 24.92 0.20 . 1 . . . . 36 . . . 5189 1 422 . 1 1 37 37 LEU CD1 C 13 23.60 0.20 . 2 . . . . 36 . . . 5189 1 423 . 1 1 37 37 LEU CD2 C 13 25.66 0.20 . 2 . . . . 36 . . . 5189 1 424 . 1 1 37 37 LEU N N 15 119.81 0.20 . 1 . . . . 36 . . . 5189 1 425 . 1 1 38 38 SER H H 1 7.69 0.01 . 1 . . . . 37 . . . 5189 1 426 . 1 1 38 38 SER HA H 1 4.31 0.01 . 1 . . . . 37 . . . 5189 1 427 . 1 1 38 38 SER HB2 H 1 4.26 0.01 . 2 . . . . 37 . . . 5189 1 428 . 1 1 38 38 SER HB3 H 1 4.23 0.01 . 2 . . . . 37 . . . 5189 1 429 . 1 1 38 38 SER C C 13 177.01 0.20 . 1 . . . . 37 . . . 5189 1 430 . 1 1 38 38 SER CA C 13 61.22 0.20 . 1 . . . . 37 . . . 5189 1 431 . 1 1 38 38 SER CB C 13 63.57 0.20 . 1 . . . . 37 . . . 5189 1 432 . 1 1 38 38 SER N N 15 115.43 0.20 . 1 . . . . 37 . . . 5189 1 433 . 1 1 39 39 PHE H H 1 8.26 0.01 . 1 . . . . 38 . . . 5189 1 434 . 1 1 39 39 PHE HA H 1 3.46 0.01 . 1 . . . . 38 . . . 5189 1 435 . 1 1 39 39 PHE HB2 H 1 3.02 0.01 . 2 . . . . 38 . . . 5189 1 436 . 1 1 39 39 PHE HB3 H 1 2.06 0.01 . 2 . . . . 38 . . . 5189 1 437 . 1 1 39 39 PHE HD1 H 1 6.50 0.01 . 1 . . . . 38 . . . 5189 1 438 . 1 1 39 39 PHE HD2 H 1 6.50 0.01 . 1 . . . . 38 . . . 5189 1 439 . 1 1 39 39 PHE HE1 H 1 7.03 0.01 . 1 . . . . 38 . . . 5189 1 440 . 1 1 39 39 PHE HE2 H 1 7.03 0.01 . 1 . . . . 38 . . . 5189 1 441 . 1 1 39 39 PHE C C 13 176.43 0.20 . 1 . . . . 38 . . . 5189 1 442 . 1 1 39 39 PHE CA C 13 60.91 0.20 . 1 . . . . 38 . . . 5189 1 443 . 1 1 39 39 PHE CB C 13 36.82 0.20 . 1 . . . . 38 . . . 5189 1 444 . 1 1 39 39 PHE CD1 C 13 132.04 0.20 . 1 . . . . 38 . . . 5189 1 445 . 1 1 39 39 PHE CD2 C 13 132.04 0.20 . 1 . . . . 38 . . . 5189 1 446 . 1 1 39 39 PHE CE1 C 13 130.82 0.20 . 1 . . . . 38 . . . 5189 1 447 . 1 1 39 39 PHE CE2 C 13 130.82 0.20 . 1 . . . . 38 . . . 5189 1 448 . 1 1 39 39 PHE N N 15 124.09 0.20 . 1 . . . . 38 . . . 5189 1 449 . 1 1 40 40 MET H H 1 8.63 0.01 . 1 . . . . 39 . . . 5189 1 450 . 1 1 40 40 MET HA H 1 3.09 0.01 . 1 . . . . 39 . . . 5189 1 451 . 1 1 40 40 MET HB2 H 1 1.72 0.01 . 2 . . . . 39 . . . 5189 1 452 . 1 1 40 40 MET HB3 H 1 1.82 0.01 . 2 . . . . 39 . . . 5189 1 453 . 1 1 40 40 MET HG2 H 1 2.04 0.01 . 1 . . . . 39 . . . 5189 1 454 . 1 1 40 40 MET HG3 H 1 2.04 0.01 . 1 . . . . 39 . . . 5189 1 455 . 1 1 40 40 MET HE1 H 1 1.94 0.01 . 1 . . . . 39 . . . 5189 1 456 . 1 1 40 40 MET HE2 H 1 1.94 0.01 . 1 . . . . 39 . . . 5189 1 457 . 1 1 40 40 MET HE3 H 1 1.94 0.01 . 1 . . . . 39 . . . 5189 1 458 . 1 1 40 40 MET C C 13 177.46 0.20 . 1 . . . . 39 . . . 5189 1 459 . 1 1 40 40 MET CA C 13 58.49 0.20 . 1 . . . . 39 . . . 5189 1 460 . 1 1 40 40 MET CB C 13 32.30 0.20 . 1 . . . . 39 . . . 5189 1 461 . 1 1 40 40 MET CG C 13 32.30 0.20 . 1 . . . . 39 . . . 5189 1 462 . 1 1 40 40 MET CE C 13 17.33 0.20 . 1 . . . . 39 . . . 5189 1 463 . 1 1 40 40 MET N N 15 122.18 0.20 . 1 . . . . 39 . . . 5189 1 464 . 1 1 41 41 ASN H H 1 7.80 0.01 . 1 . . . . 40 . . . 5189 1 465 . 1 1 41 41 ASN HA H 1 4.34 0.01 . 1 . . . . 40 . . . 5189 1 466 . 1 1 41 41 ASN HB2 H 1 2.78 0.01 . 2 . . . . 40 . . . 5189 1 467 . 1 1 41 41 ASN HB3 H 1 2.81 0.01 . 2 . . . . 40 . . . 5189 1 468 . 1 1 41 41 ASN HD21 H 1 7.38 0.01 . 2 . . . . 40 . . . 5189 1 469 . 1 1 41 41 ASN HD22 H 1 6.76 0.01 . 2 . . . . 40 . . . 5189 1 470 . 1 1 41 41 ASN C C 13 175.80 0.20 . 1 . . . . 40 . . . 5189 1 471 . 1 1 41 41 ASN CA C 13 55.34 0.20 . 1 . . . . 40 . . . 5189 1 472 . 1 1 41 41 ASN CB C 13 39.34 0.20 . 1 . . . . 40 . . . 5189 1 473 . 1 1 41 41 ASN CG C 13 176.14 0.20 . 1 . . . . 40 . . . 5189 1 474 . 1 1 41 41 ASN N N 15 113.83 0.20 . 1 . . . . 40 . . . 5189 1 475 . 1 1 41 41 ASN ND2 N 15 111.81 0.20 . 1 . . . . 40 . . . 5189 1 476 . 1 1 42 42 THR H H 1 7.58 0.01 . 1 . . . . 41 . . . 5189 1 477 . 1 1 42 42 THR HA H 1 4.22 0.01 . 1 . . . . 41 . . . 5189 1 478 . 1 1 42 42 THR HB H 1 4.21 0.01 . 1 . . . . 41 . . . 5189 1 479 . 1 1 42 42 THR HG21 H 1 1.26 0.01 . 1 . . . . 41 . . . 5189 1 480 . 1 1 42 42 THR HG22 H 1 1.26 0.01 . 1 . . . . 41 . . . 5189 1 481 . 1 1 42 42 THR HG23 H 1 1.26 0.01 . 1 . . . . 41 . . . 5189 1 482 . 1 1 42 42 THR C C 13 175.63 0.20 . 1 . . . . 41 . . . 5189 1 483 . 1 1 42 42 THR CA C 13 65.10 0.20 . 1 . . . . 41 . . . 5189 1 484 . 1 1 42 42 THR CB C 13 69.76 0.20 . 1 . . . . 41 . . . 5189 1 485 . 1 1 42 42 THR CG2 C 13 21.78 0.20 . 1 . . . . 41 . . . 5189 1 486 . 1 1 42 42 THR N N 15 112.76 0.20 . 1 . . . . 41 . . . 5189 1 487 . 1 1 43 43 GLU H H 1 8.62 0.01 . 1 . . . . 42 . . . 5189 1 488 . 1 1 43 43 GLU HA H 1 4.64 0.01 . 1 . . . . 42 . . . 5189 1 489 . 1 1 43 43 GLU HB2 H 1 1.90 0.01 . 1 . . . . 42 . . . 5189 1 490 . 1 1 43 43 GLU HB3 H 1 0.90 0.01 . 1 . . . . 42 . . . 5189 1 491 . 1 1 43 43 GLU HG2 H 1 2.30 0.01 . 2 . . . . 42 . . . 5189 1 492 . 1 1 43 43 GLU HG3 H 1 2.40 0.01 . 2 . . . . 42 . . . 5189 1 493 . 1 1 43 43 GLU C C 13 177.39 0.20 . 1 . . . . 42 . . . 5189 1 494 . 1 1 43 43 GLU CA C 13 56.13 0.20 . 1 . . . . 42 . . . 5189 1 495 . 1 1 43 43 GLU CB C 13 29.54 0.20 . 1 . . . . 42 . . . 5189 1 496 . 1 1 43 43 GLU CG C 13 34.89 0.20 . 1 . . . . 42 . . . 5189 1 497 . 1 1 43 43 GLU N N 15 117.27 0.20 . 1 . . . . 42 . . . 5189 1 498 . 1 1 44 44 LEU H H 1 6.80 0.01 . 1 . . . . 43 . . . 5189 1 499 . 1 1 44 44 LEU HA H 1 4.90 0.01 . 1 . . . . 43 . . . 5189 1 500 . 1 1 44 44 LEU HB2 H 1 1.52 0.01 . 2 . . . . 43 . . . 5189 1 501 . 1 1 44 44 LEU HB3 H 1 1.73 0.01 . 2 . . . . 43 . . . 5189 1 502 . 1 1 44 44 LEU HG H 1 1.07 0.01 . 1 . . . . 43 . . . 5189 1 503 . 1 1 44 44 LEU HD11 H 1 0.69 0.01 . 2 . . . . 43 . . . 5189 1 504 . 1 1 44 44 LEU HD12 H 1 0.69 0.01 . 2 . . . . 43 . . . 5189 1 505 . 1 1 44 44 LEU HD13 H 1 0.69 0.01 . 2 . . . . 43 . . . 5189 1 506 . 1 1 44 44 LEU HD21 H 1 0.58 0.01 . 2 . . . . 43 . . . 5189 1 507 . 1 1 44 44 LEU HD22 H 1 0.58 0.01 . 2 . . . . 43 . . . 5189 1 508 . 1 1 44 44 LEU HD23 H 1 0.58 0.01 . 2 . . . . 43 . . . 5189 1 509 . 1 1 44 44 LEU C C 13 177.14 0.20 . 1 . . . . 43 . . . 5189 1 510 . 1 1 44 44 LEU CA C 13 52.67 0.20 . 1 . . . . 43 . . . 5189 1 511 . 1 1 44 44 LEU CB C 13 42.07 0.20 . 1 . . . . 43 . . . 5189 1 512 . 1 1 44 44 LEU CG C 13 26.62 0.20 . 1 . . . . 43 . . . 5189 1 513 . 1 1 44 44 LEU CD1 C 13 26.38 0.20 . 2 . . . . 43 . . . 5189 1 514 . 1 1 44 44 LEU CD2 C 13 24.62 0.20 . 2 . . . . 43 . . . 5189 1 515 . 1 1 44 44 LEU N N 15 117.78 0.20 . 1 . . . . 43 . . . 5189 1 516 . 1 1 45 45 ALA H H 1 7.20 0.01 . 1 . . . . 44 . . . 5189 1 517 . 1 1 45 45 ALA HA H 1 4.05 0.01 . 1 . . . . 44 . . . 5189 1 518 . 1 1 45 45 ALA HB1 H 1 1.43 0.01 . 1 . . . . 44 . . . 5189 1 519 . 1 1 45 45 ALA HB2 H 1 1.43 0.01 . 1 . . . . 44 . . . 5189 1 520 . 1 1 45 45 ALA HB3 H 1 1.43 0.01 . 1 . . . . 44 . . . 5189 1 521 . 1 1 45 45 ALA C C 13 179.94 0.20 . 1 . . . . 44 . . . 5189 1 522 . 1 1 45 45 ALA CA C 13 55.28 0.20 . 1 . . . . 44 . . . 5189 1 523 . 1 1 45 45 ALA CB C 13 18.75 0.20 . 1 . . . . 44 . . . 5189 1 524 . 1 1 45 45 ALA N N 15 123.53 0.20 . 1 . . . . 44 . . . 5189 1 525 . 1 1 46 46 ALA H H 1 9.16 0.01 . 1 . . . . 45 . . . 5189 1 526 . 1 1 46 46 ALA HA H 1 4.07 0.01 . 1 . . . . 45 . . . 5189 1 527 . 1 1 46 46 ALA HB1 H 1 1.32 0.01 . 1 . . . . 45 . . . 5189 1 528 . 1 1 46 46 ALA HB2 H 1 1.32 0.01 . 1 . . . . 45 . . . 5189 1 529 . 1 1 46 46 ALA HB3 H 1 1.32 0.01 . 1 . . . . 45 . . . 5189 1 530 . 1 1 46 46 ALA C C 13 180.16 0.20 . 1 . . . . 45 . . . 5189 1 531 . 1 1 46 46 ALA CA C 13 55.05 0.20 . 1 . . . . 45 . . . 5189 1 532 . 1 1 46 46 ALA CB C 13 18.47 0.20 . 1 . . . . 45 . . . 5189 1 533 . 1 1 46 46 ALA N N 15 119.98 0.20 . 1 . . . . 45 . . . 5189 1 534 . 1 1 47 47 PHE H H 1 8.08 0.01 . 1 . . . . 46 . . . 5189 1 535 . 1 1 47 47 PHE HA H 1 4.68 0.01 . 1 . . . . 46 . . . 5189 1 536 . 1 1 47 47 PHE HB2 H 1 3.34 0.01 . 2 . . . . 46 . . . 5189 1 537 . 1 1 47 47 PHE HB3 H 1 3.28 0.01 . 2 . . . . 46 . . . 5189 1 538 . 1 1 47 47 PHE HD1 H 1 7.17 0.01 . 1 . . . . 46 . . . 5189 1 539 . 1 1 47 47 PHE HD2 H 1 7.17 0.01 . 1 . . . . 46 . . . 5189 1 540 . 1 1 47 47 PHE HE1 H 1 7.31 0.01 . 1 . . . . 46 . . . 5189 1 541 . 1 1 47 47 PHE HE2 H 1 7.31 0.01 . 1 . . . . 46 . . . 5189 1 542 . 1 1 47 47 PHE C C 13 176.84 0.20 . 1 . . . . 46 . . . 5189 1 543 . 1 1 47 47 PHE CA C 13 57.94 0.20 . 1 . . . . 46 . . . 5189 1 544 . 1 1 47 47 PHE CB C 13 38.98 0.20 . 1 . . . . 46 . . . 5189 1 545 . 1 1 47 47 PHE CD1 C 13 131.04 0.20 . 1 . . . . 46 . . . 5189 1 546 . 1 1 47 47 PHE CD2 C 13 131.04 0.20 . 1 . . . . 46 . . . 5189 1 547 . 1 1 47 47 PHE N N 15 115.89 0.20 . 1 . . . . 46 . . . 5189 1 548 . 1 1 48 48 THR H H 1 7.87 0.01 . 1 . . . . 47 . . . 5189 1 549 . 1 1 48 48 THR HA H 1 4.28 0.01 . 1 . . . . 47 . . . 5189 1 550 . 1 1 48 48 THR HB H 1 4.35 0.01 . 1 . . . . 47 . . . 5189 1 551 . 1 1 48 48 THR HG21 H 1 1.22 0.01 . 1 . . . . 47 . . . 5189 1 552 . 1 1 48 48 THR HG22 H 1 1.22 0.01 . 1 . . . . 47 . . . 5189 1 553 . 1 1 48 48 THR HG23 H 1 1.22 0.01 . 1 . . . . 47 . . . 5189 1 554 . 1 1 48 48 THR C C 13 175.92 0.20 . 1 . . . . 47 . . . 5189 1 555 . 1 1 48 48 THR CA C 13 63.36 0.20 . 1 . . . . 47 . . . 5189 1 556 . 1 1 48 48 THR CB C 13 69.14 0.20 . 1 . . . . 47 . . . 5189 1 557 . 1 1 48 48 THR CG2 C 13 22.18 0.20 . 1 . . . . 47 . . . 5189 1 558 . 1 1 48 48 THR N N 15 107.65 0.20 . 1 . . . . 47 . . . 5189 1 559 . 1 1 49 49 LYS H H 1 7.77 0.01 . 1 . . . . 48 . . . 5189 1 560 . 1 1 49 49 LYS HA H 1 4.30 0.01 . 1 . . . . 48 . . . 5189 1 561 . 1 1 49 49 LYS HB2 H 1 1.87 0.01 . 1 . . . . 48 . . . 5189 1 562 . 1 1 49 49 LYS HB3 H 1 1.87 0.01 . 1 . . . . 48 . . . 5189 1 563 . 1 1 49 49 LYS HG2 H 1 1.47 0.01 . 1 . . . . 48 . . . 5189 1 564 . 1 1 49 49 LYS HG3 H 1 1.47 0.01 . 1 . . . . 48 . . . 5189 1 565 . 1 1 49 49 LYS HD2 H 1 1.69 0.01 . 1 . . . . 48 . . . 5189 1 566 . 1 1 49 49 LYS HD3 H 1 1.69 0.01 . 1 . . . . 48 . . . 5189 1 567 . 1 1 49 49 LYS HE2 H 1 2.96 0.01 . 1 . . . . 48 . . . 5189 1 568 . 1 1 49 49 LYS HE3 H 1 2.96 0.01 . 1 . . . . 48 . . . 5189 1 569 . 1 1 49 49 LYS C C 13 176.51 0.20 . 1 . . . . 48 . . . 5189 1 570 . 1 1 49 49 LYS CA C 13 57.26 0.20 . 1 . . . . 48 . . . 5189 1 571 . 1 1 49 49 LYS CB C 13 32.58 0.20 . 1 . . . . 48 . . . 5189 1 572 . 1 1 49 49 LYS CG C 13 24.47 0.20 . 1 . . . . 48 . . . 5189 1 573 . 1 1 49 49 LYS CD C 13 29.18 0.20 . 1 . . . . 48 . . . 5189 1 574 . 1 1 49 49 LYS CE C 13 41.98 0.20 . 1 . . . . 48 . . . 5189 1 575 . 1 1 49 49 LYS N N 15 121.21 0.20 . 1 . . . . 48 . . . 5189 1 576 . 1 1 50 50 ASN H H 1 7.96 0.01 . 1 . . . . 49 . . . 5189 1 577 . 1 1 50 50 ASN HA H 1 4.68 0.01 . 1 . . . . 49 . . . 5189 1 578 . 1 1 50 50 ASN HB2 H 1 2.95 0.01 . 2 . . . . 49 . . . 5189 1 579 . 1 1 50 50 ASN HB3 H 1 2.75 0.01 . 2 . . . . 49 . . . 5189 1 580 . 1 1 50 50 ASN HD21 H 1 6.90 0.01 . 2 . . . . 49 . . . 5189 1 581 . 1 1 50 50 ASN HD22 H 1 7.60 0.01 . 2 . . . . 49 . . . 5189 1 582 . 1 1 50 50 ASN C C 13 175.03 0.20 . 1 . . . . 49 . . . 5189 1 583 . 1 1 50 50 ASN CA C 13 53.39 0.20 . 1 . . . . 49 . . . 5189 1 584 . 1 1 50 50 ASN CB C 13 39.02 0.20 . 1 . . . . 49 . . . 5189 1 585 . 1 1 50 50 ASN CG C 13 177.24 0.20 . 1 . . . . 49 . . . 5189 1 586 . 1 1 50 50 ASN N N 15 116.95 0.20 . 1 . . . . 49 . . . 5189 1 587 . 1 1 50 50 ASN ND2 N 15 112.98 0.20 . 1 . . . . 49 . . . 5189 1 588 . 1 1 51 51 GLN H H 1 7.91 0.01 . 1 . . . . 50 . . . 5189 1 589 . 1 1 51 51 GLN HA H 1 4.24 0.01 . 1 . . . . 50 . . . 5189 1 590 . 1 1 51 51 GLN HB2 H 1 2.14 0.01 . 2 . . . . 50 . . . 5189 1 591 . 1 1 51 51 GLN HB3 H 1 1.98 0.01 . 2 . . . . 50 . . . 5189 1 592 . 1 1 51 51 GLN HG2 H 1 2.33 0.01 . 1 . . . . 50 . . . 5189 1 593 . 1 1 51 51 GLN HG3 H 1 2.33 0.01 . 1 . . . . 50 . . . 5189 1 594 . 1 1 51 51 GLN HE21 H 1 7.44 0.01 . 2 . . . . 50 . . . 5189 1 595 . 1 1 51 51 GLN HE22 H 1 6.69 0.01 . 2 . . . . 50 . . . 5189 1 596 . 1 1 51 51 GLN C C 13 176.17 0.20 . 1 . . . . 50 . . . 5189 1 597 . 1 1 51 51 GLN CA C 13 56.12 0.20 . 1 . . . . 50 . . . 5189 1 598 . 1 1 51 51 GLN CB C 13 29.22 0.20 . 1 . . . . 50 . . . 5189 1 599 . 1 1 51 51 GLN CG C 13 33.78 0.20 . 1 . . . . 50 . . . 5189 1 600 . 1 1 51 51 GLN CD C 13 179.51 0.20 . 1 . . . . 50 . . . 5189 1 601 . 1 1 51 51 GLN N N 15 119.50 0.20 . 1 . . . . 50 . . . 5189 1 602 . 1 1 51 51 GLN NE2 N 15 111.07 0.20 . 1 . . . . 50 . . . 5189 1 603 . 1 1 52 52 LYS H H 1 8.34 0.01 . 1 . . . . 51 . . . 5189 1 604 . 1 1 52 52 LYS HA H 1 4.24 0.01 . 1 . . . . 51 . . . 5189 1 605 . 1 1 52 52 LYS HB3 H 1 1.89 0.01 . 2 . . . . 51 . . . 5189 1 606 . 1 1 52 52 LYS HG3 H 1 1.48 0.01 . 2 . . . . 51 . . . 5189 1 607 . 1 1 52 52 LYS HD2 H 1 2.18 0.01 . 2 . . . . 51 . . . 5189 1 608 . 1 1 52 52 LYS HD3 H 1 1.73 0.01 . 2 . . . . 51 . . . 5189 1 609 . 1 1 52 52 LYS HE3 H 1 3.00 0.01 . 2 . . . . 51 . . . 5189 1 610 . 1 1 52 52 LYS C C 13 176.45 0.20 . 1 . . . . 51 . . . 5189 1 611 . 1 1 52 52 LYS CA C 13 56.90 0.20 . 1 . . . . 51 . . . 5189 1 612 . 1 1 52 52 LYS CB C 13 32.70 0.20 . 1 . . . . 51 . . . 5189 1 613 . 1 1 52 52 LYS CG C 13 24.81 0.20 . 1 . . . . 51 . . . 5189 1 614 . 1 1 52 52 LYS CD C 13 28.82 0.20 . 1 . . . . 51 . . . 5189 1 615 . 1 1 52 52 LYS CE C 13 45.95 0.20 . 1 . . . . 51 . . . 5189 1 616 . 1 1 52 52 LYS N N 15 122.14 0.20 . 1 . . . . 51 . . . 5189 1 617 . 1 1 53 53 ASP H H 1 8.02 0.01 . 1 . . . . 52 . . . 5189 1 618 . 1 1 53 53 ASP HA H 1 5.06 0.01 . 1 . . . . 52 . . . 5189 1 619 . 1 1 53 53 ASP HB2 H 1 2.91 0.01 . 2 . . . . 52 . . . 5189 1 620 . 1 1 53 53 ASP HB3 H 1 2.60 0.01 . 2 . . . . 52 . . . 5189 1 621 . 1 1 53 53 ASP CA C 13 51.16 0.20 . 1 . . . . 52 . . . 5189 1 622 . 1 1 53 53 ASP CB C 13 41.85 0.20 . 1 . . . . 52 . . . 5189 1 623 . 1 1 53 53 ASP N N 15 118.13 0.20 . 1 . . . . 52 . . . 5189 1 624 . 1 1 54 54 PRO HA H 1 4.46 0.01 . 1 . . . . 53 . . . 5189 1 625 . 1 1 54 54 PRO HB2 H 1 2.38 0.01 . 2 . . . . 53 . . . 5189 1 626 . 1 1 54 54 PRO HB3 H 1 2.06 0.01 . 2 . . . . 53 . . . 5189 1 627 . 1 1 54 54 PRO HG2 H 1 2.06 0.01 . 1 . . . . 53 . . . 5189 1 628 . 1 1 54 54 PRO HG3 H 1 2.06 0.01 . 1 . . . . 53 . . . 5189 1 629 . 1 1 54 54 PRO HD2 H 1 3.80 0.01 . 2 . . . . 53 . . . 5189 1 630 . 1 1 54 54 PRO HD3 H 1 3.90 0.01 . 2 . . . . 53 . . . 5189 1 631 . 1 1 54 54 PRO C C 13 177.95 0.20 . 1 . . . . 53 . . . 5189 1 632 . 1 1 54 54 PRO CA C 13 64.29 0.20 . 1 . . . . 53 . . . 5189 1 633 . 1 1 54 54 PRO CB C 13 32.26 0.20 . 1 . . . . 53 . . . 5189 1 634 . 1 1 54 54 PRO CG C 13 26.96 0.20 . 1 . . . . 53 . . . 5189 1 635 . 1 1 54 54 PRO CD C 13 51.00 0.20 . 1 . . . . 53 . . . 5189 1 636 . 1 1 55 55 GLY H H 1 8.58 0.01 . 1 . . . . 54 . . . 5189 1 637 . 1 1 55 55 GLY HA2 H 1 4.23 0.01 . 2 . . . . 54 . . . 5189 1 638 . 1 1 55 55 GLY HA3 H 1 3.85 0.01 . 2 . . . . 54 . . . 5189 1 639 . 1 1 55 55 GLY C C 13 175.53 0.20 . 1 . . . . 54 . . . 5189 1 640 . 1 1 55 55 GLY CA C 13 46.32 0.20 . 1 . . . . 54 . . . 5189 1 641 . 1 1 55 55 GLY N N 15 107.37 0.20 . 1 . . . . 54 . . . 5189 1 642 . 1 1 56 56 VAL H H 1 7.43 0.01 . 1 . . . . 55 . . . 5189 1 643 . 1 1 56 56 VAL HA H 1 3.66 0.01 . 1 . . . . 55 . . . 5189 1 644 . 1 1 56 56 VAL HB H 1 2.15 0.01 . 1 . . . . 55 . . . 5189 1 645 . 1 1 56 56 VAL HG11 H 1 1.07 0.01 . 2 . . . . 55 . . . 5189 1 646 . 1 1 56 56 VAL HG12 H 1 1.07 0.01 . 2 . . . . 55 . . . 5189 1 647 . 1 1 56 56 VAL HG13 H 1 1.07 0.01 . 2 . . . . 55 . . . 5189 1 648 . 1 1 56 56 VAL HG21 H 1 0.96 0.01 . 2 . . . . 55 . . . 5189 1 649 . 1 1 56 56 VAL HG22 H 1 0.96 0.01 . 2 . . . . 55 . . . 5189 1 650 . 1 1 56 56 VAL HG23 H 1 0.96 0.01 . 2 . . . . 55 . . . 5189 1 651 . 1 1 56 56 VAL C C 13 177.44 0.20 . 1 . . . . 55 . . . 5189 1 652 . 1 1 56 56 VAL CA C 13 66.17 0.20 . 1 . . . . 55 . . . 5189 1 653 . 1 1 56 56 VAL CB C 13 31.70 0.20 . 1 . . . . 55 . . . 5189 1 654 . 1 1 56 56 VAL CG1 C 13 21.39 0.20 . 2 . . . . 55 . . . 5189 1 655 . 1 1 56 56 VAL CG2 C 13 20.92 0.20 . 2 . . . . 55 . . . 5189 1 656 . 1 1 56 56 VAL N N 15 121.00 0.20 . 1 . . . . 55 . . . 5189 1 657 . 1 1 57 57 LEU H H 1 8.01 0.01 . 1 . . . . 56 . . . 5189 1 658 . 1 1 57 57 LEU HA H 1 4.11 0.01 . 1 . . . . 56 . . . 5189 1 659 . 1 1 57 57 LEU HB2 H 1 1.69 0.01 . 2 . . . . 56 . . . 5189 1 660 . 1 1 57 57 LEU HB3 H 1 1.82 0.01 . 2 . . . . 56 . . . 5189 1 661 . 1 1 57 57 LEU HG H 1 1.71 0.01 . 1 . . . . 56 . . . 5189 1 662 . 1 1 57 57 LEU HD11 H 1 1.00 0.01 . 2 . . . . 56 . . . 5189 1 663 . 1 1 57 57 LEU HD12 H 1 1.00 0.01 . 2 . . . . 56 . . . 5189 1 664 . 1 1 57 57 LEU HD13 H 1 1.00 0.01 . 2 . . . . 56 . . . 5189 1 665 . 1 1 57 57 LEU HD21 H 1 0.96 0.01 . 2 . . . . 56 . . . 5189 1 666 . 1 1 57 57 LEU HD22 H 1 0.96 0.01 . 2 . . . . 56 . . . 5189 1 667 . 1 1 57 57 LEU HD23 H 1 0.96 0.01 . 2 . . . . 56 . . . 5189 1 668 . 1 1 57 57 LEU C C 13 178.51 0.20 . 1 . . . . 56 . . . 5189 1 669 . 1 1 57 57 LEU CA C 13 57.84 0.20 . 1 . . . . 56 . . . 5189 1 670 . 1 1 57 57 LEU CB C 13 41.32 0.20 . 1 . . . . 56 . . . 5189 1 671 . 1 1 57 57 LEU CG C 13 27.24 0.20 . 1 . . . . 56 . . . 5189 1 672 . 1 1 57 57 LEU CD1 C 13 24.51 0.20 . 2 . . . . 56 . . . 5189 1 673 . 1 1 57 57 LEU CD2 C 13 21.46 0.20 . 2 . . . . 56 . . . 5189 1 674 . 1 1 57 57 LEU N N 15 120.85 0.20 . 1 . . . . 56 . . . 5189 1 675 . 1 1 58 58 ASP H H 1 7.90 0.01 . 1 . . . . 57 . . . 5189 1 676 . 1 1 58 58 ASP HA H 1 4.30 0.01 . 1 . . . . 57 . . . 5189 1 677 . 1 1 58 58 ASP HB2 H 1 2.64 0.01 . 2 . . . . 57 . . . 5189 1 678 . 1 1 58 58 ASP HB3 H 1 2.73 0.01 . 2 . . . . 57 . . . 5189 1 679 . 1 1 58 58 ASP C C 13 178.86 0.20 . 1 . . . . 57 . . . 5189 1 680 . 1 1 58 58 ASP CA C 13 57.92 0.20 . 1 . . . . 57 . . . 5189 1 681 . 1 1 58 58 ASP CB C 13 41.39 0.20 . 1 . . . . 57 . . . 5189 1 682 . 1 1 58 58 ASP N N 15 119.05 0.20 . 1 . . . . 57 . . . 5189 1 683 . 1 1 59 59 ARG H H 1 8.03 0.01 . 1 . . . . 58 . . . 5189 1 684 . 1 1 59 59 ARG HA H 1 4.01 0.01 . 1 . . . . 58 . . . 5189 1 685 . 1 1 59 59 ARG HB2 H 1 1.97 0.01 . 2 . . . . 58 . . . 5189 1 686 . 1 1 59 59 ARG HB3 H 1 1.82 0.01 . 2 . . . . 58 . . . 5189 1 687 . 1 1 59 59 ARG HG2 H 1 1.93 0.01 . 2 . . . . 58 . . . 5189 1 688 . 1 1 59 59 ARG HG3 H 1 1.55 0.01 . 2 . . . . 58 . . . 5189 1 689 . 1 1 59 59 ARG HD2 H 1 3.17 0.01 . 2 . . . . 58 . . . 5189 1 690 . 1 1 59 59 ARG HD3 H 1 3.32 0.01 . 2 . . . . 58 . . . 5189 1 691 . 1 1 59 59 ARG C C 13 179.47 0.20 . 1 . . . . 58 . . . 5189 1 692 . 1 1 59 59 ARG CA C 13 59.83 0.20 . 1 . . . . 58 . . . 5189 1 693 . 1 1 59 59 ARG CB C 13 30.45 0.20 . 1 . . . . 58 . . . 5189 1 694 . 1 1 59 59 ARG CG C 13 28.44 0.20 . 1 . . . . 58 . . . 5189 1 695 . 1 1 59 59 ARG CD C 13 43.71 0.20 . 1 . . . . 58 . . . 5189 1 696 . 1 1 59 59 ARG N N 15 117.72 0.20 . 1 . . . . 58 . . . 5189 1 697 . 1 1 60 60 MET H H 1 7.98 0.01 . 1 . . . . 59 . . . 5189 1 698 . 1 1 60 60 MET HA H 1 4.15 0.01 . 1 . . . . 59 . . . 5189 1 699 . 1 1 60 60 MET HB2 H 1 2.10 0.01 . 2 . . . . 59 . . . 5189 1 700 . 1 1 60 60 MET HB3 H 1 2.21 0.01 . 2 . . . . 59 . . . 5189 1 701 . 1 1 60 60 MET HG2 H 1 2.66 0.01 . 2 . . . . 59 . . . 5189 1 702 . 1 1 60 60 MET HG3 H 1 2.51 0.01 . 2 . . . . 59 . . . 5189 1 703 . 1 1 60 60 MET HE1 H 1 2.02 0.01 . 1 . . . . 59 . . . 5189 1 704 . 1 1 60 60 MET HE2 H 1 2.02 0.01 . 1 . . . . 59 . . . 5189 1 705 . 1 1 60 60 MET HE3 H 1 2.02 0.01 . 1 . . . . 59 . . . 5189 1 706 . 1 1 60 60 MET C C 13 178.38 0.20 . 1 . . . . 59 . . . 5189 1 707 . 1 1 60 60 MET CA C 13 58.74 0.20 . 1 . . . . 59 . . . 5189 1 708 . 1 1 60 60 MET CB C 13 32.64 0.20 . 1 . . . . 59 . . . 5189 1 709 . 1 1 60 60 MET CG C 13 32.00 0.20 . 1 . . . . 59 . . . 5189 1 710 . 1 1 60 60 MET CE C 13 17.32 0.20 . 1 . . . . 59 . . . 5189 1 711 . 1 1 60 60 MET N N 15 119.50 0.20 . 1 . . . . 59 . . . 5189 1 712 . 1 1 61 61 MET H H 1 8.49 0.01 . 1 . . . . 60 . . . 5189 1 713 . 1 1 61 61 MET HA H 1 4.23 0.01 . 1 . . . . 60 . . . 5189 1 714 . 1 1 61 61 MET HB2 H 1 2.33 0.01 . 2 . . . . 60 . . . 5189 1 715 . 1 1 61 61 MET HB3 H 1 2.06 0.01 . 2 . . . . 60 . . . 5189 1 716 . 1 1 61 61 MET HG2 H 1 2.85 0.01 . 2 . . . . 60 . . . 5189 1 717 . 1 1 61 61 MET HG3 H 1 2.64 0.01 . 2 . . . . 60 . . . 5189 1 718 . 1 1 61 61 MET HE1 H 1 2.05 0.01 . 1 . . . . 60 . . . 5189 1 719 . 1 1 61 61 MET HE2 H 1 2.05 0.01 . 1 . . . . 60 . . . 5189 1 720 . 1 1 61 61 MET HE3 H 1 2.05 0.01 . 1 . . . . 60 . . . 5189 1 721 . 1 1 61 61 MET C C 13 178.92 0.20 . 1 . . . . 60 . . . 5189 1 722 . 1 1 61 61 MET CA C 13 58.16 0.20 . 1 . . . . 60 . . . 5189 1 723 . 1 1 61 61 MET CB C 13 32.11 0.20 . 1 . . . . 60 . . . 5189 1 724 . 1 1 61 61 MET CG C 13 33.05 0.20 . 1 . . . . 60 . . . 5189 1 725 . 1 1 61 61 MET CE C 13 17.52 0.20 . 1 . . . . 60 . . . 5189 1 726 . 1 1 61 61 MET N N 15 117.66 0.20 . 1 . . . . 60 . . . 5189 1 727 . 1 1 62 62 LYS H H 1 7.84 0.01 . 1 . . . . 61 . . . 5189 1 728 . 1 1 62 62 LYS HA H 1 4.16 0.01 . 1 . . . . 61 . . . 5189 1 729 . 1 1 62 62 LYS HB2 H 1 1.50 0.01 . 2 . . . . 61 . . . 5189 1 730 . 1 1 62 62 LYS HB3 H 1 1.91 0.01 . 2 . . . . 61 . . . 5189 1 731 . 1 1 62 62 LYS HG2 H 1 1.58 0.01 . 2 . . . . 61 . . . 5189 1 732 . 1 1 62 62 LYS HG3 H 1 1.48 0.01 . 2 . . . . 61 . . . 5189 1 733 . 1 1 62 62 LYS HD2 H 1 2.23 0.01 . 2 . . . . 61 . . . 5189 1 734 . 1 1 62 62 LYS HD3 H 1 2.31 0.01 . 2 . . . . 61 . . . 5189 1 735 . 1 1 62 62 LYS HE2 H 1 2.98 0.01 . 1 . . . . 61 . . . 5189 1 736 . 1 1 62 62 LYS HE3 H 1 2.98 0.01 . 1 . . . . 61 . . . 5189 1 737 . 1 1 62 62 LYS C C 13 179.00 0.20 . 1 . . . . 61 . . . 5189 1 738 . 1 1 62 62 LYS CA C 13 58.66 0.20 . 1 . . . . 61 . . . 5189 1 739 . 1 1 62 62 LYS CB C 13 32.32 0.20 . 1 . . . . 61 . . . 5189 1 740 . 1 1 62 62 LYS CG C 13 25.30 0.20 . 1 . . . . 61 . . . 5189 1 741 . 1 1 62 62 LYS CD C 13 29.08 0.20 . 1 . . . . 61 . . . 5189 1 742 . 1 1 62 62 LYS CE C 13 42.20 0.20 . 1 . . . . 61 . . . 5189 1 743 . 1 1 62 62 LYS N N 15 119.38 0.20 . 1 . . . . 61 . . . 5189 1 744 . 1 1 63 63 LYS H H 1 7.57 0.01 . 1 . . . . 62 . . . 5189 1 745 . 1 1 63 63 LYS HA H 1 4.09 0.01 . 1 . . . . 62 . . . 5189 1 746 . 1 1 63 63 LYS HB2 H 1 1.94 0.01 . 2 . . . . 62 . . . 5189 1 747 . 1 1 63 63 LYS HB3 H 1 1.91 0.01 . 2 . . . . 62 . . . 5189 1 748 . 1 1 63 63 LYS HG2 H 1 1.50 0.01 . 2 . . . . 62 . . . 5189 1 749 . 1 1 63 63 LYS HG3 H 1 1.44 0.01 . 2 . . . . 62 . . . 5189 1 750 . 1 1 63 63 LYS HD2 H 1 1.64 0.01 . 2 . . . . 62 . . . 5189 1 751 . 1 1 63 63 LYS HD3 H 1 1.68 0.01 . 2 . . . . 62 . . . 5189 1 752 . 1 1 63 63 LYS HE2 H 1 2.98 0.01 . 1 . . . . 62 . . . 5189 1 753 . 1 1 63 63 LYS HE3 H 1 2.98 0.01 . 1 . . . . 62 . . . 5189 1 754 . 1 1 63 63 LYS C C 13 178.15 0.20 . 1 . . . . 62 . . . 5189 1 755 . 1 1 63 63 LYS CA C 13 58.39 0.20 . 1 . . . . 62 . . . 5189 1 756 . 1 1 63 63 LYS CB C 13 32.41 0.20 . 1 . . . . 62 . . . 5189 1 757 . 1 1 63 63 LYS CG C 13 24.92 0.20 . 1 . . . . 62 . . . 5189 1 758 . 1 1 63 63 LYS CD C 13 28.92 0.20 . 1 . . . . 62 . . . 5189 1 759 . 1 1 63 63 LYS CE C 13 41.90 0.20 . 1 . . . . 62 . . . 5189 1 760 . 1 1 63 63 LYS N N 15 119.00 0.20 . 1 . . . . 62 . . . 5189 1 761 . 1 1 64 64 LEU H H 1 7.75 0.01 . 1 . . . . 63 . . . 5189 1 762 . 1 1 64 64 LEU HA H 1 4.12 0.01 . 1 . . . . 63 . . . 5189 1 763 . 1 1 64 64 LEU HB2 H 1 1.78 0.01 . 2 . . . . 63 . . . 5189 1 764 . 1 1 64 64 LEU HB3 H 1 1.61 0.01 . 2 . . . . 63 . . . 5189 1 765 . 1 1 64 64 LEU HD11 H 1 0.82 0.01 . 2 . . . . 63 . . . 5189 1 766 . 1 1 64 64 LEU HD12 H 1 0.82 0.01 . 2 . . . . 63 . . . 5189 1 767 . 1 1 64 64 LEU HD13 H 1 0.82 0.01 . 2 . . . . 63 . . . 5189 1 768 . 1 1 64 64 LEU HD21 H 1 0.88 0.01 . 2 . . . . 63 . . . 5189 1 769 . 1 1 64 64 LEU HD22 H 1 0.88 0.01 . 2 . . . . 63 . . . 5189 1 770 . 1 1 64 64 LEU HD23 H 1 0.88 0.01 . 2 . . . . 63 . . . 5189 1 771 . 1 1 64 64 LEU C C 13 177.30 0.20 . 1 . . . . 63 . . . 5189 1 772 . 1 1 64 64 LEU CA C 13 56.29 0.20 . 1 . . . . 63 . . . 5189 1 773 . 1 1 64 64 LEU CB C 13 42.19 0.20 . 1 . . . . 63 . . . 5189 1 774 . 1 1 64 64 LEU CG C 13 24.67 0.20 . 1 . . . . 63 . . . 5189 1 775 . 1 1 64 64 LEU CD1 C 13 23.33 0.20 . 2 . . . . 63 . . . 5189 1 776 . 1 1 64 64 LEU CD2 C 13 25.40 0.20 . 2 . . . . 63 . . . 5189 1 777 . 1 1 64 64 LEU N N 15 118.82 0.20 . 1 . . . . 63 . . . 5189 1 778 . 1 1 65 65 ASP H H 1 7.88 0.01 . 1 . . . . 64 . . . 5189 1 779 . 1 1 65 65 ASP HA H 1 4.46 0.01 . 1 . . . . 64 . . . 5189 1 780 . 1 1 65 65 ASP HB2 H 1 2.91 0.01 . 2 . . . . 64 . . . 5189 1 781 . 1 1 65 65 ASP HB3 H 1 2.57 0.01 . 2 . . . . 64 . . . 5189 1 782 . 1 1 65 65 ASP C C 13 176.57 0.20 . 1 . . . . 64 . . . 5189 1 783 . 1 1 65 65 ASP CA C 13 55.41 0.20 . 1 . . . . 64 . . . 5189 1 784 . 1 1 65 65 ASP CB C 13 40.02 0.20 . 1 . . . . 64 . . . 5189 1 785 . 1 1 65 65 ASP N N 15 118.03 0.20 . 1 . . . . 64 . . . 5189 1 786 . 1 1 66 66 LEU H H 1 8.00 0.01 . 1 . . . . 65 . . . 5189 1 787 . 1 1 66 66 LEU HA H 1 4.24 0.01 . 1 . . . . 65 . . . 5189 1 788 . 1 1 66 66 LEU HB2 H 1 1.65 0.01 . 2 . . . . 65 . . . 5189 1 789 . 1 1 66 66 LEU HB3 H 1 1.70 0.01 . 2 . . . . 65 . . . 5189 1 790 . 1 1 66 66 LEU HG H 1 1.75 0.01 . 1 . . . . 65 . . . 5189 1 791 . 1 1 66 66 LEU HD11 H 1 0.94 0.01 . 2 . . . . 65 . . . 5189 1 792 . 1 1 66 66 LEU HD12 H 1 0.94 0.01 . 2 . . . . 65 . . . 5189 1 793 . 1 1 66 66 LEU HD13 H 1 0.94 0.01 . 2 . . . . 65 . . . 5189 1 794 . 1 1 66 66 LEU HD21 H 1 0.88 0.01 . 2 . . . . 65 . . . 5189 1 795 . 1 1 66 66 LEU HD22 H 1 0.88 0.01 . 2 . . . . 65 . . . 5189 1 796 . 1 1 66 66 LEU HD23 H 1 0.88 0.01 . 2 . . . . 65 . . . 5189 1 797 . 1 1 66 66 LEU C C 13 177.33 0.20 . 1 . . . . 65 . . . 5189 1 798 . 1 1 66 66 LEU CA C 13 55.94 0.20 . 1 . . . . 65 . . . 5189 1 799 . 1 1 66 66 LEU CB C 13 42.20 0.20 . 1 . . . . 65 . . . 5189 1 800 . 1 1 66 66 LEU CG C 13 27.06 0.20 . 1 . . . . 65 . . . 5189 1 801 . 1 1 66 66 LEU CD1 C 13 25.28 0.20 . 2 . . . . 65 . . . 5189 1 802 . 1 1 66 66 LEU CD2 C 13 23.61 0.20 . 2 . . . . 65 . . . 5189 1 803 . 1 1 66 66 LEU N N 15 119.68 0.20 . 1 . . . . 65 . . . 5189 1 804 . 1 1 67 67 ASN H H 1 8.11 0.01 . 1 . . . . 66 . . . 5189 1 805 . 1 1 67 67 ASN HA H 1 4.76 0.01 . 1 . . . . 66 . . . 5189 1 806 . 1 1 67 67 ASN HB2 H 1 2.93 0.01 . 2 . . . . 66 . . . 5189 1 807 . 1 1 67 67 ASN HB3 H 1 2.82 0.01 . 2 . . . . 66 . . . 5189 1 808 . 1 1 67 67 ASN HD21 H 1 7.64 0.01 . 2 . . . . 66 . . . 5189 1 809 . 1 1 67 67 ASN HD22 H 1 6.96 0.01 . 2 . . . . 66 . . . 5189 1 810 . 1 1 67 67 ASN C C 13 178.96 0.20 . 1 . . . . 66 . . . 5189 1 811 . 1 1 67 67 ASN CA C 13 53.49 0.20 . 1 . . . . 66 . . . 5189 1 812 . 1 1 67 67 ASN CB C 13 39.11 0.20 . 1 . . . . 66 . . . 5189 1 813 . 1 1 67 67 ASN CG C 13 177.04 0.20 . 1 . . . . 66 . . . 5189 1 814 . 1 1 67 67 ASN N N 15 117.24 0.20 . 1 . . . . 66 . . . 5189 1 815 . 1 1 67 67 ASN ND2 N 15 112.91 0.20 . 1 . . . . 66 . . . 5189 1 816 . 1 1 68 68 SER H H 1 7.69 0.01 . 1 . . . . 67 . . . 5189 1 817 . 1 1 68 68 SER HA H 1 4.49 0.01 . 1 . . . . 67 . . . 5189 1 818 . 1 1 68 68 SER HB2 H 1 3.92 0.01 . 1 . . . . 67 . . . 5189 1 819 . 1 1 68 68 SER HB3 H 1 3.92 0.01 . 1 . . . . 67 . . . 5189 1 820 . 1 1 68 68 SER C C 13 174.51 0.20 . 1 . . . . 67 . . . 5189 1 821 . 1 1 68 68 SER CA C 13 58.25 0.20 . 1 . . . . 67 . . . 5189 1 822 . 1 1 68 68 SER CB C 13 63.97 0.20 . 1 . . . . 67 . . . 5189 1 823 . 1 1 68 68 SER N N 15 115.40 0.20 . 1 . . . . 67 . . . 5189 1 824 . 1 1 69 69 ASP H H 1 8.40 0.01 . 1 . . . . 68 . . . 5189 1 825 . 1 1 69 69 ASP HA H 1 4.70 0.01 . 1 . . . . 68 . . . 5189 1 826 . 1 1 69 69 ASP HB2 H 1 2.63 0.01 . 2 . . . . 68 . . . 5189 1 827 . 1 1 69 69 ASP HB3 H 1 2.75 0.01 . 2 . . . . 68 . . . 5189 1 828 . 1 1 69 69 ASP C C 13 176.66 0.20 . 1 . . . . 68 . . . 5189 1 829 . 1 1 69 69 ASP CA C 13 54.49 0.20 . 1 . . . . 68 . . . 5189 1 830 . 1 1 69 69 ASP CB C 13 41.10 0.20 . 1 . . . . 68 . . . 5189 1 831 . 1 1 69 69 ASP N N 15 121.29 0.20 . 1 . . . . 68 . . . 5189 1 832 . 1 1 70 70 GLY H H 1 8.21 0.01 . 1 . . . . 69 . . . 5189 1 833 . 1 1 70 70 GLY HA2 H 1 3.92 0.01 . 2 . . . . 69 . . . 5189 1 834 . 1 1 70 70 GLY HA3 H 1 4.11 0.01 . 2 . . . . 69 . . . 5189 1 835 . 1 1 70 70 GLY C C 13 172.87 0.20 . 1 . . . . 69 . . . 5189 1 836 . 1 1 70 70 GLY CA C 13 45.95 0.20 . 1 . . . . 69 . . . 5189 1 837 . 1 1 70 70 GLY N N 15 108.25 0.20 . 1 . . . . 69 . . . 5189 1 838 . 1 1 71 71 GLN H H 1 8.01 0.01 . 1 . . . . 70 . . . 5189 1 839 . 1 1 71 71 GLN HA H 1 4.81 0.01 . 1 . . . . 70 . . . 5189 1 840 . 1 1 71 71 GLN HB2 H 1 1.93 0.01 . 2 . . . . 70 . . . 5189 1 841 . 1 1 71 71 GLN HB3 H 1 1.90 0.01 . 2 . . . . 70 . . . 5189 1 842 . 1 1 71 71 GLN HG2 H 1 2.32 0.01 . 2 . . . . 70 . . . 5189 1 843 . 1 1 71 71 GLN HG3 H 1 2.22 0.01 . 2 . . . . 70 . . . 5189 1 844 . 1 1 71 71 GLN HE21 H 1 7.45 0.01 . 2 . . . . 70 . . . 5189 1 845 . 1 1 71 71 GLN HE22 H 1 6.67 0.01 . 2 . . . . 70 . . . 5189 1 846 . 1 1 71 71 GLN C C 13 174.95 0.20 . 1 . . . . 70 . . . 5189 1 847 . 1 1 71 71 GLN CA C 13 54.33 0.20 . 1 . . . . 70 . . . 5189 1 848 . 1 1 71 71 GLN CB C 13 31.50 0.20 . 1 . . . . 70 . . . 5189 1 849 . 1 1 71 71 GLN CG C 13 33.95 0.20 . 1 . . . . 70 . . . 5189 1 850 . 1 1 71 71 GLN CD C 13 180.03 0.20 . 1 . . . . 70 . . . 5189 1 851 . 1 1 71 71 GLN N N 15 118.08 0.20 . 1 . . . . 70 . . . 5189 1 852 . 1 1 71 71 GLN NE2 N 15 111.44 0.20 . 1 . . . . 70 . . . 5189 1 853 . 1 1 72 72 LEU H H 1 9.31 0.01 . 1 . . . . 71 . . . 5189 1 854 . 1 1 72 72 LEU HA H 1 4.85 0.01 . 1 . . . . 71 . . . 5189 1 855 . 1 1 72 72 LEU HB2 H 1 1.57 0.01 . 2 . . . . 71 . . . 5189 1 856 . 1 1 72 72 LEU HB3 H 1 1.88 0.01 . 2 . . . . 71 . . . 5189 1 857 . 1 1 72 72 LEU HG H 1 1.65 0.01 . 1 . . . . 71 . . . 5189 1 858 . 1 1 72 72 LEU HD11 H 1 0.62 0.01 . 2 . . . . 71 . . . 5189 1 859 . 1 1 72 72 LEU HD12 H 1 0.62 0.01 . 2 . . . . 71 . . . 5189 1 860 . 1 1 72 72 LEU HD13 H 1 0.62 0.01 . 2 . . . . 71 . . . 5189 1 861 . 1 1 72 72 LEU HD21 H 1 0.63 0.01 . 2 . . . . 71 . . . 5189 1 862 . 1 1 72 72 LEU HD22 H 1 0.63 0.01 . 2 . . . . 71 . . . 5189 1 863 . 1 1 72 72 LEU HD23 H 1 0.63 0.01 . 2 . . . . 71 . . . 5189 1 864 . 1 1 72 72 LEU C C 13 176.09 0.20 . 1 . . . . 71 . . . 5189 1 865 . 1 1 72 72 LEU CA C 13 54.31 0.20 . 1 . . . . 71 . . . 5189 1 866 . 1 1 72 72 LEU CB C 13 44.46 0.20 . 1 . . . . 71 . . . 5189 1 867 . 1 1 72 72 LEU CG C 13 26.79 0.20 . 1 . . . . 71 . . . 5189 1 868 . 1 1 72 72 LEU CD1 C 13 26.38 0.20 . 2 . . . . 71 . . . 5189 1 869 . 1 1 72 72 LEU CD2 C 13 25.74 0.20 . 2 . . . . 71 . . . 5189 1 870 . 1 1 72 72 LEU N N 15 122.07 0.20 . 1 . . . . 71 . . . 5189 1 871 . 1 1 73 73 ASP H H 1 8.53 0.01 . 1 . . . . 72 . . . 5189 1 872 . 1 1 73 73 ASP HA H 1 5.17 0.01 . 1 . . . . 72 . . . 5189 1 873 . 1 1 73 73 ASP HB2 H 1 2.71 0.01 . 2 . . . . 72 . . . 5189 1 874 . 1 1 73 73 ASP HB3 H 1 3.44 0.01 . 2 . . . . 72 . . . 5189 1 875 . 1 1 73 73 ASP C C 13 176.12 0.20 . 1 . . . . 72 . . . 5189 1 876 . 1 1 73 73 ASP CA C 13 52.15 0.20 . 1 . . . . 72 . . . 5189 1 877 . 1 1 73 73 ASP CB C 13 41.28 0.20 . 1 . . . . 72 . . . 5189 1 878 . 1 1 73 73 ASP N N 15 122.19 0.20 . 1 . . . . 72 . . . 5189 1 879 . 1 1 74 74 PHE H H 1 8.77 0.01 . 1 . . . . 73 . . . 5189 1 880 . 1 1 74 74 PHE HA H 1 3.19 0.01 . 1 . . . . 73 . . . 5189 1 881 . 1 1 74 74 PHE HB2 H 1 1.80 0.01 . 2 . . . . 73 . . . 5189 1 882 . 1 1 74 74 PHE HB3 H 1 1.99 0.01 . 2 . . . . 73 . . . 5189 1 883 . 1 1 74 74 PHE HD1 H 1 6.31 0.01 . 1 . . . . 73 . . . 5189 1 884 . 1 1 74 74 PHE HD2 H 1 6.31 0.01 . 1 . . . . 73 . . . 5189 1 885 . 1 1 74 74 PHE HE1 H 1 6.37 0.01 . 1 . . . . 73 . . . 5189 1 886 . 1 1 74 74 PHE HE2 H 1 6.37 0.01 . 1 . . . . 73 . . . 5189 1 887 . 1 1 74 74 PHE C C 13 176.26 0.20 . 1 . . . . 73 . . . 5189 1 888 . 1 1 74 74 PHE CA C 13 61.37 0.20 . 1 . . . . 73 . . . 5189 1 889 . 1 1 74 74 PHE CB C 13 40.66 0.20 . 1 . . . . 73 . . . 5189 1 890 . 1 1 74 74 PHE N N 15 116.86 0.20 . 1 . . . . 73 . . . 5189 1 891 . 1 1 75 75 GLN H H 1 7.10 0.01 . 1 . . . . 74 . . . 5189 1 892 . 1 1 75 75 GLN HA H 1 3.48 0.01 . 1 . . . . 74 . . . 5189 1 893 . 1 1 75 75 GLN HB2 H 1 1.43 0.01 . 2 . . . . 74 . . . 5189 1 894 . 1 1 75 75 GLN HB3 H 1 1.47 0.01 . 2 . . . . 74 . . . 5189 1 895 . 1 1 75 75 GLN HG2 H 1 2.56 0.01 . 2 . . . . 74 . . . 5189 1 896 . 1 1 75 75 GLN HG3 H 1 2.28 0.01 . 2 . . . . 74 . . . 5189 1 897 . 1 1 75 75 GLN HE21 H 1 6.83 0.01 . 2 . . . . 74 . . . 5189 1 898 . 1 1 75 75 GLN HE22 H 1 6.50 0.01 . 2 . . . . 74 . . . 5189 1 899 . 1 1 75 75 GLN C C 13 176.64 0.20 . 1 . . . . 74 . . . 5189 1 900 . 1 1 75 75 GLN CA C 13 60.27 0.20 . 1 . . . . 74 . . . 5189 1 901 . 1 1 75 75 GLN CB C 13 27.20 0.20 . 1 . . . . 74 . . . 5189 1 902 . 1 1 75 75 GLN CG C 13 33.29 0.20 . 1 . . . . 74 . . . 5189 1 903 . 1 1 75 75 GLN CD C 13 180.07 0.20 . 1 . . . . 74 . . . 5189 1 904 . 1 1 75 75 GLN N N 15 116.86 0.20 . 1 . . . . 74 . . . 5189 1 905 . 1 1 75 75 GLN NE2 N 15 110.36 0.20 . 1 . . . . 74 . . . 5189 1 906 . 1 1 76 76 GLU H H 1 8.40 0.01 . 1 . . . . 75 . . . 5189 1 907 . 1 1 76 76 GLU HA H 1 4.05 0.01 . 1 . . . . 75 . . . 5189 1 908 . 1 1 76 76 GLU HB2 H 1 2.16 0.01 . 2 . . . . 75 . . . 5189 1 909 . 1 1 76 76 GLU HB3 H 1 1.86 0.01 . 2 . . . . 75 . . . 5189 1 910 . 1 1 76 76 GLU HG2 H 1 2.37 0.01 . 2 . . . . 75 . . . 5189 1 911 . 1 1 76 76 GLU HG3 H 1 2.24 0.01 . 2 . . . . 75 . . . 5189 1 912 . 1 1 76 76 GLU C C 13 178.48 0.20 . 1 . . . . 75 . . . 5189 1 913 . 1 1 76 76 GLU CA C 13 59.02 0.20 . 1 . . . . 75 . . . 5189 1 914 . 1 1 76 76 GLU CB C 13 30.00 0.20 . 1 . . . . 75 . . . 5189 1 915 . 1 1 76 76 GLU CG C 13 36.35 0.20 . 1 . . . . 75 . . . 5189 1 916 . 1 1 76 76 GLU N N 15 120.44 0.20 . 1 . . . . 75 . . . 5189 1 917 . 1 1 77 77 PHE H H 1 8.45 0.01 . 1 . . . . 76 . . . 5189 1 918 . 1 1 77 77 PHE HA H 1 3.98 0.01 . 1 . . . . 76 . . . 5189 1 919 . 1 1 77 77 PHE HB2 H 1 3.18 0.01 . 2 . . . . 76 . . . 5189 1 920 . 1 1 77 77 PHE HB3 H 1 2.95 0.01 . 2 . . . . 76 . . . 5189 1 921 . 1 1 77 77 PHE C C 13 175.55 0.20 . 1 . . . . 76 . . . 5189 1 922 . 1 1 77 77 PHE CA C 13 60.50 0.20 . 1 . . . . 76 . . . 5189 1 923 . 1 1 77 77 PHE CB C 13 39.89 0.20 . 1 . . . . 76 . . . 5189 1 924 . 1 1 77 77 PHE N N 15 119.89 0.20 . 1 . . . . 76 . . . 5189 1 925 . 1 1 78 78 LEU H H 1 7.57 0.01 . 1 . . . . 77 . . . 5189 1 926 . 1 1 78 78 LEU HA H 1 3.57 0.01 . 1 . . . . 77 . . . 5189 1 927 . 1 1 78 78 LEU HB2 H 1 1.16 0.01 . 2 . . . . 77 . . . 5189 1 928 . 1 1 78 78 LEU HB3 H 1 1.38 0.01 . 2 . . . . 77 . . . 5189 1 929 . 1 1 78 78 LEU HG H 1 1.06 0.01 . 1 . . . . 77 . . . 5189 1 930 . 1 1 78 78 LEU HD11 H 1 0.54 0.01 . 2 . . . . 77 . . . 5189 1 931 . 1 1 78 78 LEU HD12 H 1 0.54 0.01 . 2 . . . . 77 . . . 5189 1 932 . 1 1 78 78 LEU HD13 H 1 0.54 0.01 . 2 . . . . 77 . . . 5189 1 933 . 1 1 78 78 LEU HD21 H 1 0.52 0.01 . 2 . . . . 77 . . . 5189 1 934 . 1 1 78 78 LEU HD22 H 1 0.52 0.01 . 2 . . . . 77 . . . 5189 1 935 . 1 1 78 78 LEU HD23 H 1 0.52 0.01 . 2 . . . . 77 . . . 5189 1 936 . 1 1 78 78 LEU CA C 13 57.80 0.20 . 1 . . . . 77 . . . 5189 1 937 . 1 1 78 78 LEU CB C 13 40.05 0.20 . 1 . . . . 77 . . . 5189 1 938 . 1 1 78 78 LEU CG C 13 27.15 0.20 . 1 . . . . 77 . . . 5189 1 939 . 1 1 78 78 LEU CD1 C 13 23.48 0.20 . 2 . . . . 77 . . . 5189 1 940 . 1 1 78 78 LEU CD2 C 13 25.60 0.20 . 2 . . . . 77 . . . 5189 1 941 . 1 1 78 78 LEU N N 15 118.12 0.20 . 1 . . . . 77 . . . 5189 1 942 . 1 1 79 79 ASN H H 1 8.50 0.01 . 1 . . . . 78 . . . 5189 1 943 . 1 1 79 79 ASN HA H 1 4.13 0.01 . 1 . . . . 78 . . . 5189 1 944 . 1 1 79 79 ASN HB2 H 1 2.95 0.01 . 2 . . . . 78 . . . 5189 1 945 . 1 1 79 79 ASN HB3 H 1 2.88 0.01 . 2 . . . . 78 . . . 5189 1 946 . 1 1 79 79 ASN HD21 H 1 7.48 0.01 . 2 . . . . 78 . . . 5189 1 947 . 1 1 79 79 ASN HD22 H 1 6.50 0.01 . 2 . . . . 78 . . . 5189 1 948 . 1 1 79 79 ASN C C 13 178.39 0.20 . 1 . . . . 78 . . . 5189 1 949 . 1 1 79 79 ASN CA C 13 57.33 0.20 . 1 . . . . 78 . . . 5189 1 950 . 1 1 79 79 ASN CB C 13 39.62 0.20 . 1 . . . . 78 . . . 5189 1 951 . 1 1 79 79 ASN CG C 13 175.28 0.20 . 1 . . . . 78 . . . 5189 1 952 . 1 1 79 79 ASN N N 15 118.60 0.20 . 1 . . . . 78 . . . 5189 1 953 . 1 1 79 79 ASN ND2 N 15 112.28 0.20 . 1 . . . . 78 . . . 5189 1 954 . 1 1 80 80 LEU H H 1 8.32 0.01 . 1 . . . . 79 . . . 5189 1 955 . 1 1 80 80 LEU HA H 1 3.94 0.01 . 1 . . . . 79 . . . 5189 1 956 . 1 1 80 80 LEU HB2 H 1 1.80 0.01 . 2 . . . . 79 . . . 5189 1 957 . 1 1 80 80 LEU HB3 H 1 1.16 0.01 . 2 . . . . 79 . . . 5189 1 958 . 1 1 80 80 LEU HG H 1 1.70 0.01 . 1 . . . . 79 . . . 5189 1 959 . 1 1 80 80 LEU HD11 H 1 0.30 0.01 . 2 . . . . 79 . . . 5189 1 960 . 1 1 80 80 LEU HD12 H 1 0.30 0.01 . 2 . . . . 79 . . . 5189 1 961 . 1 1 80 80 LEU HD13 H 1 0.30 0.01 . 2 . . . . 79 . . . 5189 1 962 . 1 1 80 80 LEU HD21 H 1 0.60 0.01 . 2 . . . . 79 . . . 5189 1 963 . 1 1 80 80 LEU HD22 H 1 0.60 0.01 . 2 . . . . 79 . . . 5189 1 964 . 1 1 80 80 LEU HD23 H 1 0.60 0.01 . 2 . . . . 79 . . . 5189 1 965 . 1 1 80 80 LEU C C 13 179.85 0.20 . 1 . . . . 79 . . . 5189 1 966 . 1 1 80 80 LEU CA C 13 57.92 0.20 . 1 . . . . 79 . . . 5189 1 967 . 1 1 80 80 LEU CB C 13 42.03 0.20 . 1 . . . . 79 . . . 5189 1 968 . 1 1 80 80 LEU CG C 13 27.21 0.20 . 1 . . . . 79 . . . 5189 1 969 . 1 1 80 80 LEU CD1 C 13 25.68 0.20 . 2 . . . . 79 . . . 5189 1 970 . 1 1 80 80 LEU CD2 C 13 23.58 0.20 . 2 . . . . 79 . . . 5189 1 971 . 1 1 80 80 LEU N N 15 119.93 0.20 . 1 . . . . 79 . . . 5189 1 972 . 1 1 81 81 ILE H H 1 7.89 0.01 . 1 . . . . 80 . . . 5189 1 973 . 1 1 81 81 ILE HA H 1 3.52 0.01 . 1 . . . . 80 . . . 5189 1 974 . 1 1 81 81 ILE HB H 1 1.65 0.01 . 1 . . . . 80 . . . 5189 1 975 . 1 1 81 81 ILE HG12 H 1 0.73 0.01 . 2 . . . . 80 . . . 5189 1 976 . 1 1 81 81 ILE HG13 H 1 1.61 0.01 . 2 . . . . 80 . . . 5189 1 977 . 1 1 81 81 ILE HD11 H 1 0.08 0.01 . 1 . . . . 80 . . . 5189 1 978 . 1 1 81 81 ILE HD12 H 1 0.08 0.01 . 1 . . . . 80 . . . 5189 1 979 . 1 1 81 81 ILE HD13 H 1 0.08 0.01 . 1 . . . . 80 . . . 5189 1 980 . 1 1 81 81 ILE HG21 H 1 0.74 0.01 . 1 . . . . 80 . . . 5189 1 981 . 1 1 81 81 ILE HG22 H 1 0.74 0.01 . 1 . . . . 80 . . . 5189 1 982 . 1 1 81 81 ILE HG23 H 1 0.74 0.01 . 1 . . . . 80 . . . 5189 1 983 . 1 1 81 81 ILE C C 13 178.02 0.20 . 1 . . . . 80 . . . 5189 1 984 . 1 1 81 81 ILE CA C 13 66.27 0.20 . 1 . . . . 80 . . . 5189 1 985 . 1 1 81 81 ILE CB C 13 37.62 0.20 . 1 . . . . 80 . . . 5189 1 986 . 1 1 81 81 ILE CG1 C 13 29.28 0.20 . 1 . . . . 80 . . . 5189 1 987 . 1 1 81 81 ILE CD1 C 13 13.21 0.20 . 1 . . . . 80 . . . 5189 1 988 . 1 1 81 81 ILE CG2 C 13 17.24 0.20 . 1 . . . . 80 . . . 5189 1 989 . 1 1 81 81 ILE N N 15 119.05 0.20 . 1 . . . . 80 . . . 5189 1 990 . 1 1 82 82 GLY H H 1 8.95 0.01 . 1 . . . . 81 . . . 5189 1 991 . 1 1 82 82 GLY HA2 H 1 3.68 0.01 . 2 . . . . 81 . . . 5189 1 992 . 1 1 82 82 GLY HA3 H 1 3.49 0.01 . 2 . . . . 81 . . . 5189 1 993 . 1 1 82 82 GLY C C 13 174.83 0.20 . 1 . . . . 81 . . . 5189 1 994 . 1 1 82 82 GLY CA C 13 48.25 0.20 . 1 . . . . 81 . . . 5189 1 995 . 1 1 82 82 GLY N N 15 107.37 0.20 . 1 . . . . 81 . . . 5189 1 996 . 1 1 83 83 GLY H H 1 8.20 0.01 . 1 . . . . 82 . . . 5189 1 997 . 1 1 83 83 GLY HA2 H 1 3.78 0.01 . 2 . . . . 82 . . . 5189 1 998 . 1 1 83 83 GLY HA3 H 1 3.65 0.01 . 2 . . . . 82 . . . 5189 1 999 . 1 1 83 83 GLY C C 13 176.24 0.20 . 1 . . . . 82 . . . 5189 1 1000 . 1 1 83 83 GLY CA C 13 47.60 0.20 . 1 . . . . 82 . . . 5189 1 1001 . 1 1 83 83 GLY N N 15 109.15 0.20 . 1 . . . . 82 . . . 5189 1 1002 . 1 1 84 84 LEU H H 1 8.14 0.01 . 1 . . . . 83 . . . 5189 1 1003 . 1 1 84 84 LEU HA H 1 4.06 0.01 . 1 . . . . 83 . . . 5189 1 1004 . 1 1 84 84 LEU HB2 H 1 1.98 0.01 . 2 . . . . 83 . . . 5189 1 1005 . 1 1 84 84 LEU HB3 H 1 1.56 0.01 . 2 . . . . 83 . . . 5189 1 1006 . 1 1 84 84 LEU HG H 1 1.80 0.01 . 1 . . . . 83 . . . 5189 1 1007 . 1 1 84 84 LEU HD11 H 1 0.94 0.01 . 2 . . . . 83 . . . 5189 1 1008 . 1 1 84 84 LEU HD12 H 1 0.94 0.01 . 2 . . . . 83 . . . 5189 1 1009 . 1 1 84 84 LEU HD13 H 1 0.94 0.01 . 2 . . . . 83 . . . 5189 1 1010 . 1 1 84 84 LEU HD21 H 1 0.84 0.01 . 2 . . . . 83 . . . 5189 1 1011 . 1 1 84 84 LEU HD22 H 1 0.84 0.01 . 2 . . . . 83 . . . 5189 1 1012 . 1 1 84 84 LEU HD23 H 1 0.84 0.01 . 2 . . . . 83 . . . 5189 1 1013 . 1 1 84 84 LEU C C 13 178.45 0.20 . 1 . . . . 83 . . . 5189 1 1014 . 1 1 84 84 LEU CA C 13 57.68 0.20 . 1 . . . . 83 . . . 5189 1 1015 . 1 1 84 84 LEU CB C 13 42.26 0.20 . 1 . . . . 83 . . . 5189 1 1016 . 1 1 84 84 LEU CG C 13 27.02 0.20 . 1 . . . . 83 . . . 5189 1 1017 . 1 1 84 84 LEU CD1 C 13 24.28 0.20 . 2 . . . . 83 . . . 5189 1 1018 . 1 1 84 84 LEU CD2 C 13 25.66 0.20 . 2 . . . . 83 . . . 5189 1 1019 . 1 1 84 84 LEU N N 15 123.06 0.20 . 1 . . . . 83 . . . 5189 1 1020 . 1 1 85 85 ALA H H 1 8.66 0.01 . 1 . . . . 84 . . . 5189 1 1021 . 1 1 85 85 ALA HA H 1 3.90 0.01 . 1 . . . . 84 . . . 5189 1 1022 . 1 1 85 85 ALA HB1 H 1 1.56 0.01 . 1 . . . . 84 . . . 5189 1 1023 . 1 1 85 85 ALA HB2 H 1 1.56 0.01 . 1 . . . . 84 . . . 5189 1 1024 . 1 1 85 85 ALA HB3 H 1 1.56 0.01 . 1 . . . . 84 . . . 5189 1 1025 . 1 1 85 85 ALA C C 13 179.51 0.20 . 1 . . . . 84 . . . 5189 1 1026 . 1 1 85 85 ALA CA C 13 55.63 0.20 . 1 . . . . 84 . . . 5189 1 1027 . 1 1 85 85 ALA CB C 13 18.59 0.20 . 1 . . . . 84 . . . 5189 1 1028 . 1 1 85 85 ALA N N 15 120.85 0.20 . 1 . . . . 84 . . . 5189 1 1029 . 1 1 86 86 VAL H H 1 7.92 0.01 . 1 . . . . 85 . . . 5189 1 1030 . 1 1 86 86 VAL HA H 1 3.54 0.01 . 1 . . . . 85 . . . 5189 1 1031 . 1 1 86 86 VAL HB H 1 2.04 0.01 . 1 . . . . 85 . . . 5189 1 1032 . 1 1 86 86 VAL HG11 H 1 0.80 0.01 . 2 . . . . 85 . . . 5189 1 1033 . 1 1 86 86 VAL HG12 H 1 0.80 0.01 . 2 . . . . 85 . . . 5189 1 1034 . 1 1 86 86 VAL HG13 H 1 0.80 0.01 . 2 . . . . 85 . . . 5189 1 1035 . 1 1 86 86 VAL HG21 H 1 0.82 0.01 . 2 . . . . 85 . . . 5189 1 1036 . 1 1 86 86 VAL HG22 H 1 0.82 0.01 . 2 . . . . 85 . . . 5189 1 1037 . 1 1 86 86 VAL HG23 H 1 0.82 0.01 . 2 . . . . 85 . . . 5189 1 1038 . 1 1 86 86 VAL C C 13 176.29 0.20 . 1 . . . . 85 . . . 5189 1 1039 . 1 1 86 86 VAL CA C 13 65.37 0.20 . 1 . . . . 85 . . . 5189 1 1040 . 1 1 86 86 VAL CB C 13 31.59 0.20 . 1 . . . . 85 . . . 5189 1 1041 . 1 1 86 86 VAL CG1 C 13 22.10 0.20 . 2 . . . . 85 . . . 5189 1 1042 . 1 1 86 86 VAL CG2 C 13 22.81 0.20 . 2 . . . . 85 . . . 5189 1 1043 . 1 1 86 86 VAL N N 15 114.59 0.20 . 1 . . . . 85 . . . 5189 1 1044 . 1 1 87 87 ALA H H 1 7.22 0.01 . 1 . . . . 86 . . . 5189 1 1045 . 1 1 87 87 ALA HA H 1 4.33 0.01 . 1 . . . . 86 . . . 5189 1 1046 . 1 1 87 87 ALA HB1 H 1 1.56 0.01 . 1 . . . . 86 . . . 5189 1 1047 . 1 1 87 87 ALA HB2 H 1 1.56 0.01 . 1 . . . . 86 . . . 5189 1 1048 . 1 1 87 87 ALA HB3 H 1 1.56 0.01 . 1 . . . . 86 . . . 5189 1 1049 . 1 1 87 87 ALA C C 13 178.96 0.20 . 1 . . . . 86 . . . 5189 1 1050 . 1 1 87 87 ALA CA C 13 53.44 0.20 . 1 . . . . 86 . . . 5189 1 1051 . 1 1 87 87 ALA CB C 13 20.61 0.20 . 1 . . . . 86 . . . 5189 1 1052 . 1 1 87 87 ALA N N 15 118.10 0.20 . 1 . . . . 86 . . . 5189 1 1053 . 1 1 88 88 CYS H H 1 7.73 0.01 . 1 . . . . 87 . . . 5189 1 1054 . 1 1 88 88 CYS HA H 1 4.60 0.01 . 1 . . . . 87 . . . 5189 1 1055 . 1 1 88 88 CYS HB2 H 1 2.92 0.01 . 2 . . . . 87 . . . 5189 1 1056 . 1 1 88 88 CYS HB3 H 1 2.59 0.01 . 2 . . . . 87 . . . 5189 1 1057 . 1 1 88 88 CYS C C 13 174.57 0.20 . 1 . . . . 87 . . . 5189 1 1058 . 1 1 88 88 CYS CA C 13 59.80 0.20 . 1 . . . . 87 . . . 5189 1 1059 . 1 1 88 88 CYS CB C 13 31.34 0.20 . 1 . . . . 87 . . . 5189 1 1060 . 1 1 88 88 CYS N N 15 111.34 0.20 . 1 . . . . 87 . . . 5189 1 1061 . 1 1 89 89 HIS H H 1 8.86 0.01 . 1 . . . . 88 . . . 5189 1 1062 . 1 1 89 89 HIS HA H 1 4.35 0.01 . 1 . . . . 88 . . . 5189 1 1063 . 1 1 89 89 HIS HB2 H 1 2.90 0.01 . 2 . . . . 88 . . . 5189 1 1064 . 1 1 89 89 HIS HB3 H 1 3.26 0.01 . 2 . . . . 88 . . . 5189 1 1065 . 1 1 89 89 HIS HD2 H 1 6.81 0.01 . 1 . . . . 88 . . . 5189 1 1066 . 1 1 89 89 HIS HE1 H 1 7.74 0.01 . 1 . . . . 88 . . . 5189 1 1067 . 1 1 89 89 HIS C C 13 177.16 0.20 . 1 . . . . 88 . . . 5189 1 1068 . 1 1 89 89 HIS CA C 13 59.41 0.20 . 1 . . . . 88 . . . 5189 1 1069 . 1 1 89 89 HIS CB C 13 32.60 0.20 . 1 . . . . 88 . . . 5189 1 1070 . 1 1 89 89 HIS CD2 C 13 117.98 0.20 . 1 . . . . 88 . . . 5189 1 1071 . 1 1 89 89 HIS CE1 C 13 138.80 0.20 . 1 . . . . 88 . . . 5189 1 1072 . 1 1 89 89 HIS N N 15 122.68 0.20 . 1 . . . . 88 . . . 5189 1 1073 . 1 1 90 90 GLU H H 1 8.63 0.01 . 1 . . . . 89 . . . 5189 1 1074 . 1 1 90 90 GLU HA H 1 4.03 0.01 . 1 . . . . 89 . . . 5189 1 1075 . 1 1 90 90 GLU HB2 H 1 1.93 0.01 . 1 . . . . 89 . . . 5189 1 1076 . 1 1 90 90 GLU HB3 H 1 1.93 0.01 . 1 . . . . 89 . . . 5189 1 1077 . 1 1 90 90 GLU HG2 H 1 2.16 0.01 . 2 . . . . 89 . . . 5189 1 1078 . 1 1 90 90 GLU HG3 H 1 2.20 0.01 . 2 . . . . 89 . . . 5189 1 1079 . 1 1 90 90 GLU C C 13 178.96 0.20 . 1 . . . . 89 . . . 5189 1 1080 . 1 1 90 90 GLU CA C 13 59.35 0.20 . 1 . . . . 89 . . . 5189 1 1081 . 1 1 90 90 GLU CB C 13 29.62 0.20 . 1 . . . . 89 . . . 5189 1 1082 . 1 1 90 90 GLU CG C 13 36.04 0.20 . 1 . . . . 89 . . . 5189 1 1083 . 1 1 90 90 GLU N N 15 128.08 0.20 . 1 . . . . 89 . . . 5189 1 1084 . 1 1 91 91 SER H H 1 7.73 0.01 . 1 . . . . 90 . . . 5189 1 1085 . 1 1 91 91 SER C C 13 174.81 0.20 . 1 . . . . 90 . . . 5189 1 1086 . 1 1 91 91 SER CA C 13 62.58 0.20 . 1 . . . . 90 . . . 5189 1 1087 . 1 1 91 91 SER N N 15 111.30 0.20 . 1 . . . . 90 . . . 5189 1 1088 . 1 1 92 92 PHE H H 1 7.67 0.01 . 1 . . . . 91 . . . 5189 1 1089 . 1 1 92 92 PHE HA H 1 4.81 0.01 . 1 . . . . 91 . . . 5189 1 1090 . 1 1 92 92 PHE HB2 H 1 3.09 0.01 . 2 . . . . 91 . . . 5189 1 1091 . 1 1 92 92 PHE HB3 H 1 3.53 0.01 . 2 . . . . 91 . . . 5189 1 1092 . 1 1 92 92 PHE HD1 H 1 7.31 0.01 . 1 . . . . 91 . . . 5189 1 1093 . 1 1 92 92 PHE HD2 H 1 7.31 0.01 . 1 . . . . 91 . . . 5189 1 1094 . 1 1 92 92 PHE C C 13 176.65 0.20 . 1 . . . . 91 . . . 5189 1 1095 . 1 1 92 92 PHE CA C 13 58.12 0.20 . 1 . . . . 91 . . . 5189 1 1096 . 1 1 92 92 PHE CB C 13 39.89 0.20 . 1 . . . . 91 . . . 5189 1 1097 . 1 1 92 92 PHE N N 15 116.83 0.20 . 1 . . . . 91 . . . 5189 1 1098 . 1 1 93 93 VAL H H 1 7.74 0.01 . 1 . . . . 92 . . . 5189 1 1099 . 1 1 93 93 VAL HA H 1 4.08 0.01 . 1 . . . . 92 . . . 5189 1 1100 . 1 1 93 93 VAL HB H 1 2.06 0.01 . 1 . . . . 92 . . . 5189 1 1101 . 1 1 93 93 VAL HG11 H 1 0.95 0.01 . 1 . . . . 92 . . . 5189 1 1102 . 1 1 93 93 VAL HG12 H 1 0.95 0.01 . 1 . . . . 92 . . . 5189 1 1103 . 1 1 93 93 VAL HG13 H 1 0.95 0.01 . 1 . . . . 92 . . . 5189 1 1104 . 1 1 93 93 VAL HG21 H 1 0.95 0.01 . 1 . . . . 92 . . . 5189 1 1105 . 1 1 93 93 VAL HG22 H 1 0.95 0.01 . 1 . . . . 92 . . . 5189 1 1106 . 1 1 93 93 VAL HG23 H 1 0.95 0.01 . 1 . . . . 92 . . . 5189 1 1107 . 1 1 93 93 VAL C C 13 176.70 0.20 . 1 . . . . 92 . . . 5189 1 1108 . 1 1 93 93 VAL CA C 13 63.74 0.20 . 1 . . . . 92 . . . 5189 1 1109 . 1 1 93 93 VAL CB C 13 32.48 0.20 . 1 . . . . 92 . . . 5189 1 1110 . 1 1 93 93 VAL CG1 C 13 21.16 0.20 . 2 . . . . 92 . . . 5189 1 1111 . 1 1 93 93 VAL CG2 C 13 20.54 0.20 . 2 . . . . 92 . . . 5189 1 1112 . 1 1 93 93 VAL N N 15 119.12 0.20 . 1 . . . . 92 . . . 5189 1 1113 . 1 1 94 94 LYS H H 1 8.08 0.01 . 1 . . . . 93 . . . 5189 1 1114 . 1 1 94 94 LYS HA H 1 4.35 0.01 . 1 . . . . 93 . . . 5189 1 1115 . 1 1 94 94 LYS HB2 H 1 1.79 0.01 . 2 . . . . 93 . . . 5189 1 1116 . 1 1 94 94 LYS HB3 H 1 1.86 0.01 . 2 . . . . 93 . . . 5189 1 1117 . 1 1 94 94 LYS HG2 H 1 1.48 0.01 . 1 . . . . 93 . . . 5189 1 1118 . 1 1 94 94 LYS HG3 H 1 1.48 0.01 . 1 . . . . 93 . . . 5189 1 1119 . 1 1 94 94 LYS HD2 H 1 1.68 0.01 . 1 . . . . 93 . . . 5189 1 1120 . 1 1 94 94 LYS HD3 H 1 1.68 0.01 . 1 . . . . 93 . . . 5189 1 1121 . 1 1 94 94 LYS HE2 H 1 3.00 0.01 . 1 . . . . 93 . . . 5189 1 1122 . 1 1 94 94 LYS HE3 H 1 3.00 0.01 . 1 . . . . 93 . . . 5189 1 1123 . 1 1 94 94 LYS C C 13 176.12 0.20 . 1 . . . . 93 . . . 5189 1 1124 . 1 1 94 94 LYS CA C 13 56.36 0.20 . 1 . . . . 93 . . . 5189 1 1125 . 1 1 94 94 LYS CB C 13 32.62 0.20 . 1 . . . . 93 . . . 5189 1 1126 . 1 1 94 94 LYS CG C 13 24.83 0.20 . 1 . . . . 93 . . . 5189 1 1127 . 1 1 94 94 LYS CD C 13 29.15 0.20 . 1 . . . . 93 . . . 5189 1 1128 . 1 1 94 94 LYS CE C 13 42.16 0.20 . 1 . . . . 93 . . . 5189 1 1129 . 1 1 94 94 LYS N N 15 121.85 0.20 . 1 . . . . 93 . . . 5189 1 1130 . 1 1 95 95 ALA H H 1 7.83 0.01 . 1 . . . . 94 . . . 5189 1 1131 . 1 1 95 95 ALA HA H 1 4.34 0.01 . 1 . . . . 94 . . . 5189 1 1132 . 1 1 95 95 ALA HB1 H 1 1.42 0.01 . 1 . . . . 94 . . . 5189 1 1133 . 1 1 95 95 ALA HB2 H 1 1.42 0.01 . 1 . . . . 94 . . . 5189 1 1134 . 1 1 95 95 ALA HB3 H 1 1.42 0.01 . 1 . . . . 94 . . . 5189 1 1135 . 1 1 95 95 ALA C C 13 176.75 0.20 . 1 . . . . 94 . . . 5189 1 1136 . 1 1 95 95 ALA CA C 13 52.17 0.20 . 1 . . . . 94 . . . 5189 1 1137 . 1 1 95 95 ALA CB C 13 19.79 0.20 . 1 . . . . 94 . . . 5189 1 1138 . 1 1 95 95 ALA N N 15 124.00 0.20 . 1 . . . . 94 . . . 5189 1 1139 . 1 1 96 96 ALA H H 1 8.05 0.01 . 1 . . . . 95 . . . 5189 1 1140 . 1 1 96 96 ALA HA H 1 4.61 0.01 . 1 . . . . 95 . . . 5189 1 1141 . 1 1 96 96 ALA HB1 H 1 1.37 0.01 . 1 . . . . 95 . . . 5189 1 1142 . 1 1 96 96 ALA HB2 H 1 1.37 0.01 . 1 . . . . 95 . . . 5189 1 1143 . 1 1 96 96 ALA HB3 H 1 1.37 0.01 . 1 . . . . 95 . . . 5189 1 1144 . 1 1 96 96 ALA CA C 13 50.57 0.20 . 1 . . . . 95 . . . 5189 1 1145 . 1 1 96 96 ALA CB C 13 18.68 0.20 . 1 . . . . 95 . . . 5189 1 1146 . 1 1 96 96 ALA N N 15 124.45 0.20 . 1 . . . . 95 . . . 5189 1 1147 . 1 1 97 97 PRO HA H 1 4.73 0.01 . 1 . . . . 96 . . . 5189 1 1148 . 1 1 97 97 PRO HB2 H 1 1.93 0.01 . 2 . . . . 96 . . . 5189 1 1149 . 1 1 97 97 PRO HB3 H 1 2.38 0.01 . 2 . . . . 96 . . . 5189 1 1150 . 1 1 97 97 PRO HG2 H 1 2.07 0.01 . 1 . . . . 96 . . . 5189 1 1151 . 1 1 97 97 PRO HG3 H 1 2.07 0.01 . 1 . . . . 96 . . . 5189 1 1152 . 1 1 97 97 PRO HD2 H 1 3.85 0.01 . 2 . . . . 96 . . . 5189 1 1153 . 1 1 97 97 PRO HD3 H 1 3.64 0.01 . 2 . . . . 96 . . . 5189 1 1154 . 1 1 97 97 PRO CA C 13 61.84 0.20 . 1 . . . . 96 . . . 5189 1 1155 . 1 1 97 97 PRO CB C 13 30.90 0.20 . 1 . . . . 96 . . . 5189 1 1156 . 1 1 97 97 PRO CG C 13 26.70 0.20 . 1 . . . . 96 . . . 5189 1 1157 . 1 1 97 97 PRO CD C 13 50.58 0.20 . 1 . . . . 96 . . . 5189 1 1158 . 1 1 98 98 PRO HA H 1 4.40 0.01 . 1 . . . . 97 . . . 5189 1 1159 . 1 1 98 98 PRO HB2 H 1 1.91 0.01 . 2 . . . . 97 . . . 5189 1 1160 . 1 1 98 98 PRO HB3 H 1 2.30 0.01 . 2 . . . . 97 . . . 5189 1 1161 . 1 1 98 98 PRO HG2 H 1 2.07 0.01 . 1 . . . . 97 . . . 5189 1 1162 . 1 1 98 98 PRO HG3 H 1 2.07 0.01 . 1 . . . . 97 . . . 5189 1 1163 . 1 1 98 98 PRO HD2 H 1 3.66 0.01 . 2 . . . . 97 . . . 5189 1 1164 . 1 1 98 98 PRO HD3 H 1 3.83 0.01 . 2 . . . . 97 . . . 5189 1 1165 . 1 1 98 98 PRO C C 13 176.98 0.20 . 1 . . . . 97 . . . 5189 1 1166 . 1 1 98 98 PRO CA C 13 63.29 0.20 . 1 . . . . 97 . . . 5189 1 1167 . 1 1 98 98 PRO CB C 13 32.26 0.20 . 1 . . . . 97 . . . 5189 1 1168 . 1 1 98 98 PRO CG C 13 27.29 0.20 . 1 . . . . 97 . . . 5189 1 1169 . 1 1 98 98 PRO CD C 13 50.41 0.20 . 1 . . . . 97 . . . 5189 1 1170 . 1 1 99 99 GLN H H 1 8.36 0.01 . 1 . . . . 98 . . . 5189 1 1171 . 1 1 99 99 GLN HA H 1 4.29 0.01 . 1 . . . . 98 . . . 5189 1 1172 . 1 1 99 99 GLN HB2 H 1 2.08 0.01 . 2 . . . . 98 . . . 5189 1 1173 . 1 1 99 99 GLN HB3 H 1 1.99 0.01 . 2 . . . . 98 . . . 5189 1 1174 . 1 1 99 99 GLN HG2 H 1 2.39 0.01 . 1 . . . . 98 . . . 5189 1 1175 . 1 1 99 99 GLN HG3 H 1 2.39 0.01 . 1 . . . . 98 . . . 5189 1 1176 . 1 1 99 99 GLN HE21 H 1 7.52 0.01 . 2 . . . . 98 . . . 5189 1 1177 . 1 1 99 99 GLN HE22 H 1 6.84 0.01 . 2 . . . . 98 . . . 5189 1 1178 . 1 1 99 99 GLN C C 13 175.82 0.20 . 1 . . . . 98 . . . 5189 1 1179 . 1 1 99 99 GLN CA C 13 55.95 0.20 . 1 . . . . 98 . . . 5189 1 1180 . 1 1 99 99 GLN CB C 13 29.66 0.20 . 1 . . . . 98 . . . 5189 1 1181 . 1 1 99 99 GLN CG C 13 33.73 0.20 . 1 . . . . 98 . . . 5189 1 1182 . 1 1 99 99 GLN CD C 13 180.50 0.20 . 1 . . . . 98 . . . 5189 1 1183 . 1 1 99 99 GLN N N 15 119.97 0.20 . 1 . . . . 98 . . . 5189 1 1184 . 1 1 99 99 GLN NE2 N 15 112.33 0.20 . 1 . . . . 98 . . . 5189 1 1185 . 1 1 100 100 LYS H H 1 8.24 0.01 . 1 . . . . 99 . . . 5189 1 1186 . 1 1 100 100 LYS HA H 1 4.27 0.01 . 1 . . . . 99 . . . 5189 1 1187 . 1 1 100 100 LYS HB2 H 1 1.75 0.01 . 2 . . . . 99 . . . 5189 1 1188 . 1 1 100 100 LYS HB3 H 1 1.68 0.01 . 2 . . . . 99 . . . 5189 1 1189 . 1 1 100 100 LYS HG2 H 1 1.35 0.01 . 2 . . . . 99 . . . 5189 1 1190 . 1 1 100 100 LYS HG3 H 1 1.31 0.01 . 2 . . . . 99 . . . 5189 1 1191 . 1 1 100 100 LYS HD3 H 1 1.66 0.01 . 2 . . . . 99 . . . 5189 1 1192 . 1 1 100 100 LYS HE2 H 1 2.94 0.01 . 1 . . . . 99 . . . 5189 1 1193 . 1 1 100 100 LYS HE3 H 1 2.94 0.01 . 1 . . . . 99 . . . 5189 1 1194 . 1 1 100 100 LYS C C 13 176.00 0.20 . 1 . . . . 99 . . . 5189 1 1195 . 1 1 100 100 LYS CA C 13 56.11 0.20 . 1 . . . . 99 . . . 5189 1 1196 . 1 1 100 100 LYS CB C 13 33.29 0.20 . 1 . . . . 99 . . . 5189 1 1197 . 1 1 100 100 LYS CG C 13 24.65 0.20 . 1 . . . . 99 . . . 5189 1 1198 . 1 1 100 100 LYS CD C 13 29.25 0.20 . 1 . . . . 99 . . . 5189 1 1199 . 1 1 100 100 LYS CE C 13 42.03 0.20 . 1 . . . . 99 . . . 5189 1 1200 . 1 1 100 100 LYS N N 15 122.70 0.20 . 1 . . . . 99 . . . 5189 1 1201 . 1 1 101 101 ARG H H 1 8.21 0.01 . 1 . . . . 100 . . . 5189 1 1202 . 1 1 101 101 ARG HA H 1 4.30 0.01 . 1 . . . . 100 . . . 5189 1 1203 . 1 1 101 101 ARG HB2 H 1 1.67 0.01 . 2 . . . . 100 . . . 5189 1 1204 . 1 1 101 101 ARG HB3 H 1 1.80 0.01 . 2 . . . . 100 . . . 5189 1 1205 . 1 1 101 101 ARG HG2 H 1 1.59 0.01 . 2 . . . . 100 . . . 5189 1 1206 . 1 1 101 101 ARG HG3 H 1 1.54 0.01 . 2 . . . . 100 . . . 5189 1 1207 . 1 1 101 101 ARG HD2 H 1 3.18 0.01 . 1 . . . . 100 . . . 5189 1 1208 . 1 1 101 101 ARG HD3 H 1 3.18 0.01 . 1 . . . . 100 . . . 5189 1 1209 . 1 1 101 101 ARG C C 13 174.85 0.20 . 1 . . . . 100 . . . 5189 1 1210 . 1 1 101 101 ARG CA C 13 56.25 0.20 . 1 . . . . 100 . . . 5189 1 1211 . 1 1 101 101 ARG CB C 13 31.25 0.20 . 1 . . . . 100 . . . 5189 1 1212 . 1 1 101 101 ARG CG C 13 27.00 0.20 . 1 . . . . 100 . . . 5189 1 1213 . 1 1 101 101 ARG CD C 13 43.30 0.20 . 1 . . . . 100 . . . 5189 1 1214 . 1 1 101 101 ARG N N 15 122.94 0.20 . 1 . . . . 100 . . . 5189 1 1215 . 1 1 102 102 PHE H H 1 7.69 0.01 . 1 . . . . 101 . . . 5189 1 1216 . 1 1 102 102 PHE HA H 1 4.44 0.01 . 1 . . . . 101 . . . 5189 1 1217 . 1 1 102 102 PHE HB2 H 1 2.97 0.01 . 2 . . . . 101 . . . 5189 1 1218 . 1 1 102 102 PHE HB3 H 1 3.19 0.01 . 2 . . . . 101 . . . 5189 1 1219 . 1 1 102 102 PHE HD1 H 1 7.23 0.01 . 1 . . . . 101 . . . 5189 1 1220 . 1 1 102 102 PHE HD2 H 1 7.23 0.01 . 1 . . . . 101 . . . 5189 1 1221 . 1 1 102 102 PHE HE1 H 1 7.33 0.01 . 1 . . . . 101 . . . 5189 1 1222 . 1 1 102 102 PHE HE2 H 1 7.33 0.01 . 1 . . . . 101 . . . 5189 1 1223 . 1 1 102 102 PHE CA C 13 59.01 0.20 . 1 . . . . 101 . . . 5189 1 1224 . 1 1 102 102 PHE CB C 13 40.49 0.20 . 1 . . . . 101 . . . 5189 1 1225 . 1 1 102 102 PHE CD1 C 13 132.11 0.20 . 1 . . . . 101 . . . 5189 1 1226 . 1 1 102 102 PHE CD2 C 13 132.11 0.20 . 1 . . . . 101 . . . 5189 1 1227 . 1 1 102 102 PHE CE1 C 13 131.21 0.20 . 1 . . . . 101 . . . 5189 1 1228 . 1 1 102 102 PHE CE2 C 13 131.21 0.20 . 1 . . . . 101 . . . 5189 1 1229 . 1 1 102 102 PHE N N 15 125.36 0.20 . 1 . . . . 101 . . . 5189 1 stop_ save_