data_5077 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5077 _Entry.Title ; 1H, 15N, 13C NMR Assignments of M156R Protein from myxoma virus, NESG target OP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-07-11 _Entry.Accession_date 2001-07-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Theresa Ramelot . A. . 5077 2 John Cort . R. . 5077 3 Adelinda Yee . A. . 5077 4 L. Furong . . . 5077 5 M. Goshe . B. . 5077 6 Aled Edwards . M. . 5077 7 R. Smith . D. . 5077 8 Cheryl Arrowsmith . H. . 5077 9 T. Dever . E. . 5077 10 Michael Kennedy . A. . 5077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 563 5077 '13C chemical shifts' 374 5077 '15N chemical shifts' 83 5077 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 . . 2002-10-10 . update author 'Update the citation.' 5077 2 . . 2002-05-28 . original author 'Original release.' 5077 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5077 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12367520 _Citation.Full_citation . _Citation.Title ; Myxoma virus immunomodulatory protein M156R is a structural mimic of eukaryotic translation initiation factor eIF2a ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 322 _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 943 _Citation.Page_last 954 _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 Theresa Ramelot . A. . 5077 1 2 John Cort . R. . 5077 1 3 Adelinda Yee . A. . 5077 1 4 L. Furong . . . 5077 1 5 M. Goshe . B. . 5077 1 6 Aled Edwards . M. . 5077 1 7 R. Smith . D. . 5077 1 8 Cheryl Arrowsmith . H. . 5077 1 9 T. Dever . E. . 5077 1 10 Michael Kennedy . A. . 5077 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 5077 1 protein 5077 1 structure 5077 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5077 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11854485 _Citation.Full_citation ; Yee A, Chang X, Pineda-Lucena A, Wu B, Semesi A, Le B, Ramelot T, Lee GM, Bhattacharyya S, Gutierrez P, Denisov A, Lee CH, Cort JR, Kozlov G, Liao J, Finak G, Chen L, Wishart D, Lee W, McIntosh LP, Gehring K, Kennedy MA, Edwards AM, Arrowsmith CH. An NMR approach to structural proteomics. Proc Natl Acad Sci U S A. 2002 Feb 19;99(4):1825-30. ; _Citation.Title 'An NMR approach to structural proteomics.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 99 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0027-8424 _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 1825 _Citation.Page_last 1830 _Citation.Year 2002 _Citation.Details ; The influx of genomic sequence information has led to the concept of structural proteomics, the determination of protein structures on a genome-wide scale. Here we describe an approach to structural proteomics of small proteins using NMR spectroscopy. Over 500 small proteins from several organisms were cloned, expressed, purified, and evaluated by NMR. Although there was variability among proteomes, overall 20% of these proteins were found to be readily amenable to NMR structure determination. NMR sample preparation was centralized in one facility, and a distributive approach was used for NMR data collection and analysis. Twelve structures are reported here as part of this approach, which allowed us to infer putative functions for several conserved hypothetical proteins. ; 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 Adelinda Yee A. . . 5077 2 2 Xiaoqing Chang X. . . 5077 2 3 Antonio Pineda-Lucena A. . . 5077 2 4 Bin Wu B. . . 5077 2 5 Anthony Semesi A. . . 5077 2 6 Brian Le B. . . 5077 2 7 Theresa Ramelot T. . . 5077 2 8 'Gregory M' Lee G. M. . 5077 2 9 Sudeepa Bhattacharyya S. . . 5077 2 10 Pablo Gutierrez P. . . 5077 2 11 Aleksej Denisov A. . . 5077 2 12 Chang-Hun Lee C. H. . 5077 2 13 'John R' Cort J. R. . 5077 2 14 Guennadi Kozlov G. . . 5077 2 15 Jack Liao J. . . 5077 2 16 Grzegorz Finak G. . . 5077 2 17 Limin Chen L. . . 5077 2 18 David Wishart D. . . 5077 2 19 Weontae Lee W. . . 5077 2 20 'Lawrence P' McIntosh L. P. . 5077 2 21 Kalle Gehring K. . . 5077 2 22 'Michael A' Kennedy M. A. . 5077 2 23 'Aled M' Edwards A. M. . 5077 2 24 'Cheryl H' Arrowsmith C. H. . 5077 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_M156R _Assembly.Sf_category assembly _Assembly.Sf_framecode system_M156R _Assembly.Entry_ID 5077 _Assembly.ID 1 _Assembly.Name M156R _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5077 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 m156r 1 $m156r . . . native . . . . . 5077 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1JJG . . . . . . 5077 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID M156R system 5077 1 M156R abbreviation 5077 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'interferon resistance/eIF2alpha structural homolog' 5077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_m156r _Entity.Sf_category entity _Entity.Sf_framecode m156r _Entity.Entry_ID 5077 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name M156R _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 ; MTVIKPSSRPRPRKNKNIKV NTYRTSAMDLSPGSVHEGIV YFKDGIFKVRLLGYEGHECI LLDYLNYRQDTLDRLKERLV GRVIKTRVVRADGLYVDLRR FF ; _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 . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11974 _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 1JJG . "Solution Structure Of Myxoma Virus Protein M156r" . . . . . 100.00 102 100.00 100.00 2.45e-66 . . . . 5077 1 2 no GB AAF15043 . "m156R [Myxoma virus]" . . . . . 100.00 102 100.00 100.00 2.45e-66 . . . . 5077 1 3 no GB ACB28777 . "m156R [Myxoma virus]" . . . . . 100.00 102 100.00 100.00 2.45e-66 . . . . 5077 1 4 no GB ACB28949 . "m156R [recombinant virus 6918VP60-T2]" . . . . . 100.00 102 100.00 100.00 2.45e-66 . . . . 5077 1 5 no GB ADI75813 . "M156R [Myxoma virus]" . . . . . 57.84 59 100.00 100.00 9.27e-35 . . . . 5077 1 6 no GB AFU77086 . "m156R [Myxoma virus]" . . . . . 100.00 102 100.00 100.00 2.45e-66 . . . . 5077 1 7 no REF NP_051869 . "m156R [Myxoma virus]" . . . . . 100.00 102 100.00 100.00 2.45e-66 . . . . 5077 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID M156R common 5077 1 M156R abbreviation 5077 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5077 1 2 . THR . 5077 1 3 . VAL . 5077 1 4 . ILE . 5077 1 5 . LYS . 5077 1 6 . PRO . 5077 1 7 . SER . 5077 1 8 . SER . 5077 1 9 . ARG . 5077 1 10 . PRO . 5077 1 11 . ARG . 5077 1 12 . PRO . 5077 1 13 . ARG . 5077 1 14 . LYS . 5077 1 15 . ASN . 5077 1 16 . LYS . 5077 1 17 . ASN . 5077 1 18 . ILE . 5077 1 19 . LYS . 5077 1 20 . VAL . 5077 1 21 . ASN . 5077 1 22 . THR . 5077 1 23 . TYR . 5077 1 24 . ARG . 5077 1 25 . THR . 5077 1 26 . SER . 5077 1 27 . ALA . 5077 1 28 . MET . 5077 1 29 . ASP . 5077 1 30 . LEU . 5077 1 31 . SER . 5077 1 32 . PRO . 5077 1 33 . GLY . 5077 1 34 . SER . 5077 1 35 . VAL . 5077 1 36 . HIS . 5077 1 37 . GLU . 5077 1 38 . GLY . 5077 1 39 . ILE . 5077 1 40 . VAL . 5077 1 41 . TYR . 5077 1 42 . PHE . 5077 1 43 . LYS . 5077 1 44 . ASP . 5077 1 45 . GLY . 5077 1 46 . ILE . 5077 1 47 . PHE . 5077 1 48 . LYS . 5077 1 49 . VAL . 5077 1 50 . ARG . 5077 1 51 . LEU . 5077 1 52 . LEU . 5077 1 53 . GLY . 5077 1 54 . TYR . 5077 1 55 . GLU . 5077 1 56 . GLY . 5077 1 57 . HIS . 5077 1 58 . GLU . 5077 1 59 . CYS . 5077 1 60 . ILE . 5077 1 61 . LEU . 5077 1 62 . LEU . 5077 1 63 . ASP . 5077 1 64 . TYR . 5077 1 65 . LEU . 5077 1 66 . ASN . 5077 1 67 . TYR . 5077 1 68 . ARG . 5077 1 69 . GLN . 5077 1 70 . ASP . 5077 1 71 . THR . 5077 1 72 . LEU . 5077 1 73 . ASP . 5077 1 74 . ARG . 5077 1 75 . LEU . 5077 1 76 . LYS . 5077 1 77 . GLU . 5077 1 78 . ARG . 5077 1 79 . LEU . 5077 1 80 . VAL . 5077 1 81 . GLY . 5077 1 82 . ARG . 5077 1 83 . VAL . 5077 1 84 . ILE . 5077 1 85 . LYS . 5077 1 86 . THR . 5077 1 87 . ARG . 5077 1 88 . VAL . 5077 1 89 . VAL . 5077 1 90 . ARG . 5077 1 91 . ALA . 5077 1 92 . ASP . 5077 1 93 . GLY . 5077 1 94 . LEU . 5077 1 95 . TYR . 5077 1 96 . VAL . 5077 1 97 . ASP . 5077 1 98 . LEU . 5077 1 99 . ARG . 5077 1 100 . ARG . 5077 1 101 . PHE . 5077 1 102 . PHE . 5077 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 5077 1 . THR 2 2 5077 1 . VAL 3 3 5077 1 . ILE 4 4 5077 1 . LYS 5 5 5077 1 . PRO 6 6 5077 1 . SER 7 7 5077 1 . SER 8 8 5077 1 . ARG 9 9 5077 1 . PRO 10 10 5077 1 . ARG 11 11 5077 1 . PRO 12 12 5077 1 . ARG 13 13 5077 1 . LYS 14 14 5077 1 . ASN 15 15 5077 1 . LYS 16 16 5077 1 . ASN 17 17 5077 1 . ILE 18 18 5077 1 . LYS 19 19 5077 1 . VAL 20 20 5077 1 . ASN 21 21 5077 1 . THR 22 22 5077 1 . TYR 23 23 5077 1 . ARG 24 24 5077 1 . THR 25 25 5077 1 . SER 26 26 5077 1 . ALA 27 27 5077 1 . MET 28 28 5077 1 . ASP 29 29 5077 1 . LEU 30 30 5077 1 . SER 31 31 5077 1 . PRO 32 32 5077 1 . GLY 33 33 5077 1 . SER 34 34 5077 1 . VAL 35 35 5077 1 . HIS 36 36 5077 1 . GLU 37 37 5077 1 . GLY 38 38 5077 1 . ILE 39 39 5077 1 . VAL 40 40 5077 1 . TYR 41 41 5077 1 . PHE 42 42 5077 1 . LYS 43 43 5077 1 . ASP 44 44 5077 1 . GLY 45 45 5077 1 . ILE 46 46 5077 1 . PHE 47 47 5077 1 . LYS 48 48 5077 1 . VAL 49 49 5077 1 . ARG 50 50 5077 1 . LEU 51 51 5077 1 . LEU 52 52 5077 1 . GLY 53 53 5077 1 . TYR 54 54 5077 1 . GLU 55 55 5077 1 . GLY 56 56 5077 1 . HIS 57 57 5077 1 . GLU 58 58 5077 1 . CYS 59 59 5077 1 . ILE 60 60 5077 1 . LEU 61 61 5077 1 . LEU 62 62 5077 1 . ASP 63 63 5077 1 . TYR 64 64 5077 1 . LEU 65 65 5077 1 . ASN 66 66 5077 1 . TYR 67 67 5077 1 . ARG 68 68 5077 1 . GLN 69 69 5077 1 . ASP 70 70 5077 1 . THR 71 71 5077 1 . LEU 72 72 5077 1 . ASP 73 73 5077 1 . ARG 74 74 5077 1 . LEU 75 75 5077 1 . LYS 76 76 5077 1 . GLU 77 77 5077 1 . ARG 78 78 5077 1 . LEU 79 79 5077 1 . VAL 80 80 5077 1 . GLY 81 81 5077 1 . ARG 82 82 5077 1 . VAL 83 83 5077 1 . ILE 84 84 5077 1 . LYS 85 85 5077 1 . THR 86 86 5077 1 . ARG 87 87 5077 1 . VAL 88 88 5077 1 . VAL 89 89 5077 1 . ARG 90 90 5077 1 . ALA 91 91 5077 1 . ASP 92 92 5077 1 . GLY 93 93 5077 1 . LEU 94 94 5077 1 . TYR 95 95 5077 1 . VAL 96 96 5077 1 . ASP 97 97 5077 1 . LEU 98 98 5077 1 . ARG 99 99 5077 1 . ARG 100 100 5077 1 . PHE 101 101 5077 1 . PHE 102 102 5077 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 5077 _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 $m156r . 10273 . . 'Leporipoxvirus Poxvirus' 'Myxoma virus' . . Viruses . Leporipoxvirus Poxvirus Lausanne . . . . . . . . . . . . . pET15b . M156R . . . . 5077 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 5077 _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 $m156r . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5077 _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 M156R '[U-15N; U-13C]' . . 1 $m156r . . 1 . . mM . . . . 5077 1 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 5077 1 3 NaCl . . . . . . . 450 . . mM . . . . 5077 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5077 _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 M156R [U-15N] . . 1 $m156r . . 1 . . mM . . . . 5077 2 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 5077 2 3 NaCl . . . . . . . 450 . . mM . . . . 5077 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5077 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5077 1 temperature 298 1 K 5077 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5077 _Software.ID 1 _Software.Name Felix _Software.Version 98 _Software.Details MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing data' 5077 1 stop_ save_ save_XPLOR _Software.Sf_category software _Software.Sf_framecode XPLOR _Software.Entry_ID 5077 _Software.ID 2 _Software.Name XPLOR _Software.Version 3.84 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculations' 5077 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 5077 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5077 _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 5077 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5077 _NMR_spectrometer.ID 4 _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 5077 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Inova . 500 . . . 5077 1 2 NMR_spectrometer_2 Varian Inova . 600 . . . 5077 1 3 NMR_spectrometer_3 Varian Inova . 750 . . . 5077 1 4 NMR_spectrometer_4 Varian Inova . 800 . . . 5077 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 5077 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 3 '15N-edited NOESY-HQSC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 4 HCC-TOCSY-NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 5 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 6 CN-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 7 CBCACOCAHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 8 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 9 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 10 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 11 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 12 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 13 CCC-TOCSY-NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 14 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 1 15 '4D CC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5077 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 5077 _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N-edited NOESY-HQSC' _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCC-TOCSY-NNH _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 5 _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CN-NOESY-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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACOCAHA _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 9 _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 10 _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _NMR_spec_expt.ID 11 _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5077 _NMR_spec_expt.ID 12 _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5077 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name CCC-TOCSY-NNH _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 '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5077 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5077 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '4D CC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '4D CC-NOESY and 1H-15N HSQC spectra were recorded after exchange into D2O.' 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 5077 _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 . . . . . . . . . 5077 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5077 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5077 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_m156r_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode m156r_shifts _Assigned_chem_shift_list.Entry_ID 5077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5077 1 . . 2 $sample_2 . 5077 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.56 0.01 . 1 . . . . . . . . 5077 1 2 . 1 1 1 1 MET C C 13 175.50 0.1 . 1 . . . . . . . . 5077 1 3 . 1 1 2 2 THR H H 1 7.81 0.01 . 1 . . . . . . . . 5077 1 4 . 1 1 2 2 THR CA C 13 63.22 0.1 . 1 . . . . . . . . 5077 1 5 . 1 1 2 2 THR CB C 13 70.62 0.1 . 1 . . . . . . . . 5077 1 6 . 1 1 2 2 THR N N 15 120.50 0.1 . 1 . . . . . . . . 5077 1 7 . 1 1 4 4 ILE HA H 1 4.23 0.01 . 1 . . . . . . . . 5077 1 8 . 1 1 4 4 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 5077 1 9 . 1 1 4 4 ILE HG12 H 1 1.53 0.01 . 2 . . . . . . . . 5077 1 10 . 1 1 4 4 ILE HG13 H 1 1.21 0.01 . 4 . . . . . . . . 5077 1 11 . 1 1 4 4 ILE HG21 H 1 0.91 0.01 . 4 . . . . . . . . 5077 1 12 . 1 1 4 4 ILE HG22 H 1 0.91 0.01 . 4 . . . . . . . . 5077 1 13 . 1 1 4 4 ILE HG23 H 1 0.91 0.01 . 4 . . . . . . . . 5077 1 14 . 1 1 4 4 ILE HD11 H 1 0.91 0.01 . 4 . . . . . . . . 5077 1 15 . 1 1 4 4 ILE HD12 H 1 0.91 0.01 . 4 . . . . . . . . 5077 1 16 . 1 1 4 4 ILE HD13 H 1 0.91 0.01 . 4 . . . . . . . . 5077 1 17 . 1 1 4 4 ILE C C 13 175.6 0.1 . 1 . . . . . . . . 5077 1 18 . 1 1 4 4 ILE CA C 13 60.88 0.1 . 1 . . . . . . . . 5077 1 19 . 1 1 4 4 ILE CB C 13 38.48 0.1 . 1 . . . . . . . . 5077 1 20 . 1 1 4 4 ILE CG1 C 13 27.27 0.1 . 1 . . . . . . . . 5077 1 21 . 1 1 4 4 ILE CG2 C 13 17.24 0.1 . 1 . . . . . . . . 5077 1 22 . 1 1 4 4 ILE CD1 C 13 12.69 0.1 . 1 . . . . . . . . 5077 1 23 . 1 1 4 4 ILE N N 15 128.1 0.1 . 1 . . . . . . . . 5077 1 24 . 1 1 5 5 LYS H H 1 8.53 0.01 . 1 . . . . . . . . 5077 1 25 . 1 1 5 5 LYS CA C 13 54.10 0.1 . 1 . . . . . . . . 5077 1 26 . 1 1 5 5 LYS CB C 13 37.71 0.1 . 1 . . . . . . . . 5077 1 27 . 1 1 6 6 PRO C C 13 176.20 0.1 . 1 . . . . . . . . 5077 1 28 . 1 1 7 7 SER H H 1 8.01 0.01 . 1 . . . . . . . . 5077 1 29 . 1 1 7 7 SER CA C 13 59.97 0.1 . 1 . . . . . . . . 5077 1 30 . 1 1 7 7 SER CB C 13 64.89 0.1 . 1 . . . . . . . . 5077 1 31 . 1 1 7 7 SER N N 15 122.00 0.1 . 1 . . . . . . . . 5077 1 32 . 1 1 8 8 SER HA H 1 4.29 0.01 . 1 . . . . . . . . 5077 1 33 . 1 1 10 10 PRO C C 13 176.00 0.1 . 1 . . . . . . . . 5077 1 34 . 1 1 11 11 ARG H H 1 7.99 0.01 . 1 . . . . . . . . 5077 1 35 . 1 1 11 11 ARG CA C 13 57.49 0.1 . 1 . . . . . . . . 5077 1 36 . 1 1 11 11 ARG CB C 13 31.64 0.1 . 1 . . . . . . . . 5077 1 37 . 1 1 11 11 ARG N N 15 126.30 0.1 . 1 . . . . . . . . 5077 1 38 . 1 1 12 12 PRO C C 13 176.70 0.1 . 1 . . . . . . . . 5077 1 39 . 1 1 13 13 ARG H H 1 8.44 0.01 . 1 . . . . . . . . 5077 1 40 . 1 1 13 13 ARG HA H 1 4.35 0.01 . 1 . . . . . . . . 5077 1 41 . 1 1 13 13 ARG C C 13 176.10 0.1 . 1 . . . . . . . . 5077 1 42 . 1 1 13 13 ARG CA C 13 55.98 0.1 . 1 . . . . . . . . 5077 1 43 . 1 1 13 13 ARG CB C 13 31.08 0.1 . 1 . . . . . . . . 5077 1 44 . 1 1 13 13 ARG N N 15 122.00 0.1 . 1 . . . . . . . . 5077 1 45 . 1 1 14 14 LYS H H 1 8.42 0.01 . 1 . . . . . . . . 5077 1 46 . 1 1 14 14 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 5077 1 47 . 1 1 14 14 LYS C C 13 175.40 0.1 . 1 . . . . . . . . 5077 1 48 . 1 1 14 14 LYS CA C 13 56.25 0.1 . 1 . . . . . . . . 5077 1 49 . 1 1 14 14 LYS CB C 13 33.15 0.1 . 1 . . . . . . . . 5077 1 50 . 1 1 14 14 LYS N N 15 123.50 0.1 . 1 . . . . . . . . 5077 1 51 . 1 1 15 15 ASN H H 1 8.09 0.01 . 1 . . . . . . . . 5077 1 52 . 1 1 15 15 ASN CA C 13 54.74 0.1 . 1 . . . . . . . . 5077 1 53 . 1 1 15 15 ASN CB C 13 40.38 0.1 . 1 . . . . . . . . 5077 1 54 . 1 1 15 15 ASN N N 15 125.70 0.1 . 1 . . . . . . . . 5077 1 55 . 1 1 17 17 ASN HA H 1 4.83 0.01 . 1 . . . . . . . . 5077 1 56 . 1 1 17 17 ASN C C 13 174.70 0.1 . 1 . . . . . . . . 5077 1 57 . 1 1 18 18 ILE H H 1 8.29 0.01 . 1 . . . . . . . . 5077 1 58 . 1 1 18 18 ILE HA H 1 4.22 0.01 . 1 . . . . . . . . 5077 1 59 . 1 1 18 18 ILE HB H 1 1.89 0.01 . 1 . . . . . . . . 5077 1 60 . 1 1 18 18 ILE HG12 H 1 1.46 0.01 . 1 . . . . . . . . 5077 1 61 . 1 1 18 18 ILE HG13 H 1 1.20 0.01 . 1 . . . . . . . . 5077 1 62 . 1 1 18 18 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5077 1 63 . 1 1 18 18 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5077 1 64 . 1 1 18 18 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5077 1 65 . 1 1 18 18 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5077 1 66 . 1 1 18 18 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5077 1 67 . 1 1 18 18 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5077 1 68 . 1 1 18 18 ILE C C 13 175.80 0.1 . 1 . . . . . . . . 5077 1 69 . 1 1 18 18 ILE CA C 13 61.12 0.1 . 1 . . . . . . . . 5077 1 70 . 1 1 18 18 ILE CB C 13 38.89 0.1 . 1 . . . . . . . . 5077 1 71 . 1 1 18 18 ILE CG1 C 13 27.04 0.1 . 1 . . . . . . . . 5077 1 72 . 1 1 18 18 ILE CG2 C 13 17.51 0.1 . 1 . . . . . . . . 5077 1 73 . 1 1 18 18 ILE CD1 C 13 12.96 0.1 . 1 . . . . . . . . 5077 1 74 . 1 1 18 18 ILE N N 15 122.10 0.1 . 1 . . . . . . . . 5077 1 75 . 1 1 19 19 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 5077 1 76 . 1 1 19 19 LYS HA H 1 4.40 0.01 . 1 . . . . . . . . 5077 1 77 . 1 1 19 19 LYS C C 13 176.10 0.1 . 1 . . . . . . . . 5077 1 78 . 1 1 19 19 LYS CA C 13 56.24 0.1 . 1 . . . . . . . . 5077 1 79 . 1 1 19 19 LYS CB C 13 33.08 0.1 . 1 . . . . . . . . 5077 1 80 . 1 1 19 19 LYS N N 15 126.20 0.1 . 1 . . . . . . . . 5077 1 81 . 1 1 20 20 VAL H H 1 8.26 0.01 . 1 . . . . . . . . 5077 1 82 . 1 1 20 20 VAL CA C 13 62.25 0.1 . 1 . . . . . . . . 5077 1 83 . 1 1 20 20 VAL CB C 13 32.92 0.1 . 1 . . . . . . . . 5077 1 84 . 1 1 20 20 VAL N N 15 122.60 0.1 . 1 . . . . . . . . 5077 1 85 . 1 1 22 22 THR HA H 1 3.80 0.01 . 1 . . . . . . . . 5077 1 86 . 1 1 22 22 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 5077 1 87 . 1 1 22 22 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 5077 1 88 . 1 1 22 22 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 5077 1 89 . 1 1 22 22 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 5077 1 90 . 1 1 22 22 THR C C 13 170.50 0.1 . 1 . . . . . . . . 5077 1 91 . 1 1 22 22 THR CA C 13 69.35 0.1 . 1 . . . . . . . . 5077 1 92 . 1 1 22 22 THR CB C 13 61.74 0.1 . 1 . . . . . . . . 5077 1 93 . 1 1 22 22 THR CG2 C 13 21.31 0.1 . 1 . . . . . . . . 5077 1 94 . 1 1 23 23 TYR H H 1 8.23 0.01 . 1 . . . . . . . . 5077 1 95 . 1 1 23 23 TYR CA C 13 59.70 0.1 . 1 . . . . . . . . 5077 1 96 . 1 1 23 23 TYR CB C 13 39.13 0.1 . 1 . . . . . . . . 5077 1 97 . 1 1 23 23 TYR N N 15 128.50 0.1 . 1 . . . . . . . . 5077 1 98 . 1 1 24 24 ARG HA H 1 4.42 0.01 . 1 . . . . . . . . 5077 1 99 . 1 1 24 24 ARG C C 13 175.90 0.1 . 1 . . . . . . . . 5077 1 100 . 1 1 25 25 THR H H 1 8.27 0.01 . 1 . . . . . . . . 5077 1 101 . 1 1 25 25 THR HA H 1 4.53 0.01 . 1 . . . . . . . . 5077 1 102 . 1 1 25 25 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 5077 1 103 . 1 1 25 25 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 5077 1 104 . 1 1 25 25 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 5077 1 105 . 1 1 25 25 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 5077 1 106 . 1 1 25 25 THR C C 13 174.20 0.1 . 1 . . . . . . . . 5077 1 107 . 1 1 25 25 THR CA C 13 61.74 0.1 . 1 . . . . . . . . 5077 1 108 . 1 1 25 25 THR CB C 13 69.72 0.1 . 1 . . . . . . . . 5077 1 109 . 1 1 25 25 THR CG2 C 13 21.54 0.1 . 1 . . . . . . . . 5077 1 110 . 1 1 25 25 THR N N 15 115.70 0.1 . 1 . . . . . . . . 5077 1 111 . 1 1 26 26 SER H H 1 8.54 0.01 . 1 . . . . . . . . 5077 1 112 . 1 1 26 26 SER HA H 1 4.55 0.01 . 1 . . . . . . . . 5077 1 113 . 1 1 26 26 SER HB2 H 1 3.92 0.01 . 1 . . . . . . . . 5077 1 114 . 1 1 26 26 SER C C 13 174.30 0.1 . 1 . . . . . . . . 5077 1 115 . 1 1 26 26 SER CA C 13 58.29 0.1 . 1 . . . . . . . . 5077 1 116 . 1 1 26 26 SER CB C 13 64.04 0.1 . 1 . . . . . . . . 5077 1 117 . 1 1 26 26 SER N N 15 118.80 0.1 . 1 . . . . . . . . 5077 1 118 . 1 1 27 27 ALA H H 1 8.46 0.01 . 1 . . . . . . . . 5077 1 119 . 1 1 27 27 ALA HA H 1 4.44 0.01 . 1 . . . . . . . . 5077 1 120 . 1 1 27 27 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 5077 1 121 . 1 1 27 27 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5077 1 122 . 1 1 27 27 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5077 1 123 . 1 1 27 27 ALA C C 13 177.90 0.1 . 1 . . . . . . . . 5077 1 124 . 1 1 27 27 ALA CA C 13 52.94 0.1 . 1 . . . . . . . . 5077 1 125 . 1 1 27 27 ALA CB C 13 19.15 0.1 . 1 . . . . . . . . 5077 1 126 . 1 1 27 27 ALA N N 15 126.10 0.1 . 1 . . . . . . . . 5077 1 127 . 1 1 28 28 MET H H 1 8.35 0.01 . 1 . . . . . . . . 5077 1 128 . 1 1 28 28 MET HA H 1 4.55 0.01 . 1 . . . . . . . . 5077 1 129 . 1 1 28 28 MET HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5077 1 130 . 1 1 28 28 MET HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5077 1 131 . 1 1 28 28 MET C C 13 176.2 0.1 . 1 . . . . . . . . 5077 1 132 . 1 1 28 28 MET CA C 13 55.62 0.1 . 1 . . . . . . . . 5077 1 133 . 1 1 28 28 MET CB C 13 32.85 0.1 . 1 . . . . . . . . 5077 1 134 . 1 1 28 28 MET CG C 13 32.13 0.1 . 1 . . . . . . . . 5077 1 135 . 1 1 28 28 MET N N 15 118.90 0.1 . 1 . . . . . . . . 5077 1 136 . 1 1 29 29 ASP H H 1 8.22 0.01 . 1 . . . . . . . . 5077 1 137 . 1 1 29 29 ASP HA H 1 4.65 0.01 . 1 . . . . . . . . 5077 1 138 . 1 1 29 29 ASP HB2 H 1 2.76 0.01 . 1 . . . . . . . . 5077 1 139 . 1 1 29 29 ASP C C 13 175.7 0.1 . 1 . . . . . . . . 5077 1 140 . 1 1 29 29 ASP CA C 13 54.45 0.1 . 1 . . . . . . . . 5077 1 141 . 1 1 29 29 ASP CB C 13 41.25 0.1 . 1 . . . . . . . . 5077 1 142 . 1 1 29 29 ASP N N 15 121.60 0.1 . 1 . . . . . . . . 5077 1 143 . 1 1 30 30 LEU H H 1 8.10 0.01 . 1 . . . . . . . . 5077 1 144 . 1 1 30 30 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 5077 1 145 . 1 1 30 30 LEU HB2 H 1 1.12 0.01 . 2 . . . . . . . . 5077 1 146 . 1 1 30 30 LEU HG H 1 0.73 0.01 . 4 . . . . . . . . 5077 1 147 . 1 1 30 30 LEU HD11 H 1 -0.16 0.01 . 4 . . . . . . . . 5077 1 148 . 1 1 30 30 LEU HD12 H 1 -0.16 0.01 . 4 . . . . . . . . 5077 1 149 . 1 1 30 30 LEU HD13 H 1 -0.16 0.01 . 4 . . . . . . . . 5077 1 150 . 1 1 30 30 LEU HD21 H 1 -0.48 0.01 . 2 . . . . . . . . 5077 1 151 . 1 1 30 30 LEU HD22 H 1 -0.48 0.01 . 2 . . . . . . . . 5077 1 152 . 1 1 30 30 LEU HD23 H 1 -0.48 0.01 . 2 . . . . . . . . 5077 1 153 . 1 1 30 30 LEU C C 13 175.5 0.1 . 1 . . . . . . . . 5077 1 154 . 1 1 30 30 LEU CA C 13 53.05 0.1 . 1 . . . . . . . . 5077 1 155 . 1 1 30 30 LEU CB C 13 41.08 0.1 . 1 . . . . . . . . 5077 1 156 . 1 1 30 30 LEU CG C 13 24.64 0.1 . 1 . . . . . . . . 5077 1 157 . 1 1 30 30 LEU CD2 C 13 22.37 0.1 . 2 . . . . . . . . 5077 1 158 . 1 1 30 30 LEU N N 15 122.30 0.1 . 1 . . . . . . . . 5077 1 159 . 1 1 31 31 SER H H 1 7.83 0.01 . 1 . . . . . . . . 5077 1 160 . 1 1 31 31 SER HA H 1 4.67 0.01 . 1 . . . . . . . . 5077 1 161 . 1 1 31 31 SER HB2 H 1 3.87 0.01 . 1 . . . . . . . . 5077 1 162 . 1 1 31 31 SER HB3 H 1 3.87 0.01 . 1 . . . . . . . . 5077 1 163 . 1 1 31 31 SER CA C 13 56.42 0.1 . 1 . . . . . . . . 5077 1 164 . 1 1 31 31 SER CB C 13 62.97 0.1 . 1 . . . . . . . . 5077 1 165 . 1 1 31 31 SER N N 15 115.80 0.1 . 1 . . . . . . . . 5077 1 166 . 1 1 32 32 PRO HA H 1 3.94 0.01 . 1 . . . . . . . . 5077 1 167 . 1 1 32 32 PRO HB2 H 1 2.28 0.01 . 2 . . . . . . . . 5077 1 168 . 1 1 32 32 PRO HB3 H 1 1.97 0.01 . 2 . . . . . . . . 5077 1 169 . 1 1 32 32 PRO HG2 H 1 1.88 0.01 . 2 . . . . . . . . 5077 1 170 . 1 1 32 32 PRO HG3 H 1 2.33 0.01 . 2 . . . . . . . . 5077 1 171 . 1 1 32 32 PRO HD2 H 1 3.72 0.01 . 2 . . . . . . . . 5077 1 172 . 1 1 32 32 PRO HD3 H 1 3.88 0.01 . 2 . . . . . . . . 5077 1 173 . 1 1 32 32 PRO C C 13 177.1 0.1 . 1 . . . . . . . . 5077 1 174 . 1 1 32 32 PRO CA C 13 64.45 0.1 . 1 . . . . . . . . 5077 1 175 . 1 1 32 32 PRO CB C 13 31.24 0.1 . 1 . . . . . . . . 5077 1 176 . 1 1 32 32 PRO CG C 13 28.44 0.1 . 1 . . . . . . . . 5077 1 177 . 1 1 32 32 PRO CD C 13 51.03 0.1 . 1 . . . . . . . . 5077 1 178 . 1 1 33 33 GLY H H 1 9.44 0.01 . 1 . . . . . . . . 5077 1 179 . 1 1 33 33 GLY HA2 H 1 4.49 0.01 . 2 . . . . . . . . 5077 1 180 . 1 1 33 33 GLY HA3 H 1 3.58 0.01 . 2 . . . . . . . . 5077 1 181 . 1 1 33 33 GLY C C 13 173.90 0.1 . 1 . . . . . . . . 5077 1 182 . 1 1 33 33 GLY CA C 13 45.02 0.1 . 1 . . . . . . . . 5077 1 183 . 1 1 33 33 GLY N N 15 113.70 0.1 . 1 . . . . . . . . 5077 1 184 . 1 1 34 34 SER H H 1 8.10 0.01 . 1 . . . . . . . . 5077 1 185 . 1 1 34 34 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 5077 1 186 . 1 1 34 34 SER HB2 H 1 3.90 0.01 . 2 . . . . . . . . 5077 1 187 . 1 1 34 34 SER HB3 H 1 4.03 0.01 . 2 . . . . . . . . 5077 1 188 . 1 1 34 34 SER C C 13 173.10 0.1 . 1 . . . . . . . . 5077 1 189 . 1 1 34 34 SER CA C 13 58.84 0.1 . 1 . . . . . . . . 5077 1 190 . 1 1 34 34 SER CB C 13 64.37 0.1 . 1 . . . . . . . . 5077 1 191 . 1 1 34 34 SER N N 15 116.70 0.1 . 1 . . . . . . . . 5077 1 192 . 1 1 35 35 VAL H H 1 8.10 0.01 . 1 . . . . . . . . 5077 1 193 . 1 1 35 35 VAL HA H 1 5.09 0.01 . 1 . . . . . . . . 5077 1 194 . 1 1 35 35 VAL HB H 1 1.65 0.01 . 1 . . . . . . . . 5077 1 195 . 1 1 35 35 VAL HG11 H 1 0.63 0.01 . 1 . . . . . . . . 5077 1 196 . 1 1 35 35 VAL HG12 H 1 0.63 0.01 . 1 . . . . . . . . 5077 1 197 . 1 1 35 35 VAL HG13 H 1 0.63 0.01 . 1 . . . . . . . . 5077 1 198 . 1 1 35 35 VAL HG21 H 1 0.63 0.01 . 1 . . . . . . . . 5077 1 199 . 1 1 35 35 VAL HG22 H 1 0.63 0.01 . 1 . . . . . . . . 5077 1 200 . 1 1 35 35 VAL HG23 H 1 0.63 0.01 . 1 . . . . . . . . 5077 1 201 . 1 1 35 35 VAL C C 13 176.10 0.1 . 1 . . . . . . . . 5077 1 202 . 1 1 35 35 VAL CA C 13 61.21 0.1 . 1 . . . . . . . . 5077 1 203 . 1 1 35 35 VAL CB C 13 33.14 0.1 . 1 . . . . . . . . 5077 1 204 . 1 1 35 35 VAL CG1 C 13 20.83 0.1 . 1 . . . . . . . . 5077 1 205 . 1 1 35 35 VAL CG2 C 13 20.83 0.1 . 1 . . . . . . . . 5077 1 206 . 1 1 35 35 VAL N N 15 122.20 0.1 . 1 . . . . . . . . 5077 1 207 . 1 1 36 36 HIS H H 1 8.76 0.01 . 1 . . . . . . . . 5077 1 208 . 1 1 36 36 HIS HA H 1 4.82 0.01 . 1 . . . . . . . . 5077 1 209 . 1 1 36 36 HIS HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5077 1 210 . 1 1 36 36 HIS HB3 H 1 3.37 0.01 . 2 . . . . . . . . 5077 1 211 . 1 1 36 36 HIS HD2 H 1 6.68 0.01 . 1 . . . . . . . . 5077 1 212 . 1 1 36 36 HIS C C 13 174.70 0.1 . 1 . . . . . . . . 5077 1 213 . 1 1 36 36 HIS CA C 13 54.34 0.1 . 1 . . . . . . . . 5077 1 214 . 1 1 36 36 HIS CB C 13 35.10 0.1 . 1 . . . . . . . . 5077 1 215 . 1 1 36 36 HIS CD2 C 13 119.3 0.1 . 1 . . . . . . . . 5077 1 216 . 1 1 36 36 HIS N N 15 123.20 0.1 . 1 . . . . . . . . 5077 1 217 . 1 1 37 37 GLU H H 1 9.26 0.01 . 1 . . . . . . . . 5077 1 218 . 1 1 37 37 GLU HA H 1 5.38 0.01 . 1 . . . . . . . . 5077 1 219 . 1 1 37 37 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5077 1 220 . 1 1 37 37 GLU HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5077 1 221 . 1 1 37 37 GLU HG2 H 1 2.25 0.01 . 2 . . . . . . . . 5077 1 222 . 1 1 37 37 GLU HG3 H 1 2.12 0.01 . 2 . . . . . . . . 5077 1 223 . 1 1 37 37 GLU C C 13 176.20 0.1 . 1 . . . . . . . . 5077 1 224 . 1 1 37 37 GLU CA C 13 55.33 0.1 . 1 . . . . . . . . 5077 1 225 . 1 1 37 37 GLU CB C 13 32.37 0.1 . 1 . . . . . . . . 5077 1 226 . 1 1 37 37 GLU CG C 13 37.60 0.1 . 1 . . . . . . . . 5077 1 227 . 1 1 37 37 GLU N N 15 125.10 0.1 . 1 . . . . . . . . 5077 1 228 . 1 1 38 38 GLY H H 1 8.68 0.01 . 1 . . . . . . . . 5077 1 229 . 1 1 38 38 GLY HA2 H 1 4.64 0.01 . 2 . . . . . . . . 5077 1 230 . 1 1 38 38 GLY HA3 H 1 3.85 0.01 . 2 . . . . . . . . 5077 1 231 . 1 1 38 38 GLY C C 13 169.90 0.1 . 1 . . . . . . . . 5077 1 232 . 1 1 38 38 GLY CA C 13 46.48 0.1 . 1 . . . . . . . . 5077 1 233 . 1 1 38 38 GLY N N 15 106.70 0.1 . 1 . . . . . . . . 5077 1 234 . 1 1 39 39 ILE H H 1 8.17 0.01 . 1 . . . . . . . . 5077 1 235 . 1 1 39 39 ILE HA H 1 5.02 0.01 . 1 . . . . . . . . 5077 1 236 . 1 1 39 39 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 5077 1 237 . 1 1 39 39 ILE HG12 H 1 1.10 0.01 . 2 . . . . . . . . 5077 1 238 . 1 1 39 39 ILE HG13 H 1 1.62 0.01 . 2 . . . . . . . . 5077 1 239 . 1 1 39 39 ILE HG21 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 240 . 1 1 39 39 ILE HG22 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 241 . 1 1 39 39 ILE HG23 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 242 . 1 1 39 39 ILE HD11 H 1 0.96 0.01 . 1 . . . . . . . . 5077 1 243 . 1 1 39 39 ILE HD12 H 1 0.96 0.01 . 1 . . . . . . . . 5077 1 244 . 1 1 39 39 ILE HD13 H 1 0.96 0.01 . 1 . . . . . . . . 5077 1 245 . 1 1 39 39 ILE C C 13 176.50 0.1 . 1 . . . . . . . . 5077 1 246 . 1 1 39 39 ILE CA C 13 59.85 0.1 . 1 . . . . . . . . 5077 1 247 . 1 1 39 39 ILE CB C 13 41.19 0.1 . 1 . . . . . . . . 5077 1 248 . 1 1 39 39 ILE CG1 C 13 28.90 0.1 . 1 . . . . . . . . 5077 1 249 . 1 1 39 39 ILE CG2 C 13 17.46 0.1 . 1 . . . . . . . . 5077 1 250 . 1 1 39 39 ILE CD1 C 13 14.02 0.1 . 1 . . . . . . . . 5077 1 251 . 1 1 39 39 ILE N N 15 119.10 0.1 . 1 . . . . . . . . 5077 1 252 . 1 1 40 40 VAL H H 1 8.45 0.01 . 1 . . . . . . . . 5077 1 253 . 1 1 40 40 VAL HA H 1 4.80 0.01 . 1 . . . . . . . . 5077 1 254 . 1 1 40 40 VAL HB H 1 2.61 0.01 . 1 . . . . . . . . 5077 1 255 . 1 1 40 40 VAL HG11 H 1 1.13 0.01 . 2 . . . . . . . . 5077 1 256 . 1 1 40 40 VAL HG12 H 1 1.13 0.01 . 2 . . . . . . . . 5077 1 257 . 1 1 40 40 VAL HG13 H 1 1.13 0.01 . 2 . . . . . . . . 5077 1 258 . 1 1 40 40 VAL HG21 H 1 1.07 0.01 . 2 . . . . . . . . 5077 1 259 . 1 1 40 40 VAL HG22 H 1 1.07 0.01 . 2 . . . . . . . . 5077 1 260 . 1 1 40 40 VAL HG23 H 1 1.07 0.01 . 2 . . . . . . . . 5077 1 261 . 1 1 40 40 VAL C C 13 176.20 0.1 . 1 . . . . . . . . 5077 1 262 . 1 1 40 40 VAL CA C 13 63.19 0.1 . 1 . . . . . . . . 5077 1 263 . 1 1 40 40 VAL CB C 13 31.03 0.1 . 1 . . . . . . . . 5077 1 264 . 1 1 40 40 VAL CG1 C 13 23.09 0.1 . 1 . . . . . . . . 5077 1 265 . 1 1 40 40 VAL CG2 C 13 23.09 0.1 . 1 . . . . . . . . 5077 1 266 . 1 1 40 40 VAL N N 15 128.30 0.1 . 1 . . . . . . . . 5077 1 267 . 1 1 41 41 TYR H H 1 9.47 0.01 . 1 . . . . . . . . 5077 1 268 . 1 1 41 41 TYR HA H 1 5.09 0.01 . 1 . . . . . . . . 5077 1 269 . 1 1 41 41 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 5077 1 270 . 1 1 41 41 TYR HB3 H 1 3.21 0.01 . 2 . . . . . . . . 5077 1 271 . 1 1 41 41 TYR HD1 H 1 7.05 0.01 . 1 . . . . . . . . 5077 1 272 . 1 1 41 41 TYR HD2 H 1 7.05 0.01 . 1 . . . . . . . . 5077 1 273 . 1 1 41 41 TYR HE1 H 1 6.50 0.01 . 1 . . . . . . . . 5077 1 274 . 1 1 41 41 TYR HE2 H 1 6.50 0.01 . 1 . . . . . . . . 5077 1 275 . 1 1 41 41 TYR C C 13 170.60 0.1 . 1 . . . . . . . . 5077 1 276 . 1 1 41 41 TYR CA C 13 56.27 0.1 . 1 . . . . . . . . 5077 1 277 . 1 1 41 41 TYR CB C 13 40.43 0.1 . 1 . . . . . . . . 5077 1 278 . 1 1 41 41 TYR CD1 C 13 134.14 0.1 . 1 . . . . . . . . 5077 1 279 . 1 1 41 41 TYR CD2 C 13 134.14 0.1 . 1 . . . . . . . . 5077 1 280 . 1 1 41 41 TYR CE1 C 13 117.8 0.1 . 1 . . . . . . . . 5077 1 281 . 1 1 41 41 TYR CE2 C 13 117.8 0.1 . 1 . . . . . . . . 5077 1 282 . 1 1 41 41 TYR N N 15 127.70 0.1 . 1 . . . . . . . . 5077 1 283 . 1 1 42 42 PHE H H 1 9.07 0.01 . 1 . . . . . . . . 5077 1 284 . 1 1 42 42 PHE HA H 1 5.01 0.01 . 1 . . . . . . . . 5077 1 285 . 1 1 42 42 PHE HB2 H 1 2.24 0.01 . 2 . . . . . . . . 5077 1 286 . 1 1 42 42 PHE HB3 H 1 2.94 0.01 . 2 . . . . . . . . 5077 1 287 . 1 1 42 42 PHE HD1 H 1 6.00 0.01 . 1 . . . . . . . . 5077 1 288 . 1 1 42 42 PHE HD2 H 1 6.00 0.01 . 1 . . . . . . . . 5077 1 289 . 1 1 42 42 PHE C C 13 174.10 0.1 . 1 . . . . . . . . 5077 1 290 . 1 1 42 42 PHE CA C 13 56.36 0.1 . 1 . . . . . . . . 5077 1 291 . 1 1 42 42 PHE CB C 13 42.36 0.1 . 1 . . . . . . . . 5077 1 292 . 1 1 42 42 PHE CD1 C 13 131.56 0.1 . 1 . . . . . . . . 5077 1 293 . 1 1 42 42 PHE CD2 C 13 131.56 0.1 . 1 . . . . . . . . 5077 1 294 . 1 1 42 42 PHE N N 15 123.20 0.1 . 1 . . . . . . . . 5077 1 295 . 1 1 43 43 LYS H H 1 8.26 0.01 . 1 . . . . . . . . 5077 1 296 . 1 1 43 43 LYS HA H 1 4.39 0.01 . 1 . . . . . . . . 5077 1 297 . 1 1 43 43 LYS HB2 H 1 1.49 0.01 . 2 . . . . . . . . 5077 1 298 . 1 1 43 43 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5077 1 299 . 1 1 43 43 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 5077 1 300 . 1 1 43 43 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 5077 1 301 . 1 1 43 43 LYS HD2 H 1 1.74 0.01 . 2 . . . . . . . . 5077 1 302 . 1 1 43 43 LYS HD3 H 1 1.90 0.01 . 2 . . . . . . . . 5077 1 303 . 1 1 43 43 LYS HE2 H 1 3.06 0.01 . 1 . . . . . . . . 5077 1 304 . 1 1 43 43 LYS HE3 H 1 3.06 0.01 . 1 . . . . . . . . 5077 1 305 . 1 1 43 43 LYS C C 13 174.50 0.1 . 1 . . . . . . . . 5077 1 306 . 1 1 43 43 LYS CA C 13 55.65 0.1 . 1 . . . . . . . . 5077 1 307 . 1 1 43 43 LYS CB C 13 36.70 0.1 . 1 . . . . . . . . 5077 1 308 . 1 1 43 43 LYS CG C 13 24.86 0.1 . 1 . . . . . . . . 5077 1 309 . 1 1 43 43 LYS CD C 13 29.53 0.1 . 1 . . . . . . . . 5077 1 310 . 1 1 43 43 LYS CE C 13 42.27 0.1 . 1 . . . . . . . . 5077 1 311 . 1 1 43 43 LYS N N 15 128.60 0.1 . 1 . . . . . . . . 5077 1 312 . 1 1 44 44 ASP H H 1 9.12 0.01 . 1 . . . . . . . . 5077 1 313 . 1 1 44 44 ASP HA H 1 4.23 0.01 . 1 . . . . . . . . 5077 1 314 . 1 1 44 44 ASP HB2 H 1 2.67 0.01 . 2 . . . . . . . . 5077 1 315 . 1 1 44 44 ASP HB3 H 1 2.86 0.01 . 2 . . . . . . . . 5077 1 316 . 1 1 44 44 ASP C C 13 175.40 0.1 . 1 . . . . . . . . 5077 1 317 . 1 1 44 44 ASP CA C 13 55.51 0.1 . 1 . . . . . . . . 5077 1 318 . 1 1 44 44 ASP CB C 13 39.67 0.1 . 1 . . . . . . . . 5077 1 319 . 1 1 44 44 ASP N N 15 125.10 0.1 . 1 . . . . . . . . 5077 1 320 . 1 1 45 45 GLY H H 1 7.30 0.01 . 1 . . . . . . . . 5077 1 321 . 1 1 45 45 GLY HA2 H 1 4.13 0.01 . 1 . . . . . . . . 5077 1 322 . 1 1 45 45 GLY HA3 H 1 3.47 0.01 . 1 . . . . . . . . 5077 1 323 . 1 1 45 45 GLY C C 13 173.60 0.1 . 1 . . . . . . . . 5077 1 324 . 1 1 45 45 GLY CA C 13 45.67 0.1 . 1 . . . . . . . . 5077 1 325 . 1 1 45 45 GLY N N 15 101.10 0.1 . 1 . . . . . . . . 5077 1 326 . 1 1 46 46 ILE H H 1 7.05 0.01 . 1 . . . . . . . . 5077 1 327 . 1 1 46 46 ILE HA H 1 4.68 0.01 . 1 . . . . . . . . 5077 1 328 . 1 1 46 46 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 5077 1 329 . 1 1 46 46 ILE HG12 H 1 1.05 0.01 . 2 . . . . . . . . 5077 1 330 . 1 1 46 46 ILE HG13 H 1 1.37 0.01 . 2 . . . . . . . . 5077 1 331 . 1 1 46 46 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5077 1 332 . 1 1 46 46 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5077 1 333 . 1 1 46 46 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5077 1 334 . 1 1 46 46 ILE HD11 H 1 0.86 0.01 . 1 . . . . . . . . 5077 1 335 . 1 1 46 46 ILE HD12 H 1 0.86 0.01 . 1 . . . . . . . . 5077 1 336 . 1 1 46 46 ILE HD13 H 1 0.86 0.01 . 1 . . . . . . . . 5077 1 337 . 1 1 46 46 ILE C C 13 174.30 0.1 . 1 . . . . . . . . 5077 1 338 . 1 1 46 46 ILE CA C 13 59.17 0.1 . 1 . . . . . . . . 5077 1 339 . 1 1 46 46 ILE CB C 13 42.25 0.1 . 1 . . . . . . . . 5077 1 340 . 1 1 46 46 ILE CG1 C 13 26.20 0.1 . 1 . . . . . . . . 5077 1 341 . 1 1 46 46 ILE CG2 C 13 18.17 0.1 . 1 . . . . . . . . 5077 1 342 . 1 1 46 46 ILE CD1 C 13 13.39 0.1 . 1 . . . . . . . . 5077 1 343 . 1 1 46 46 ILE N N 15 119.60 0.1 . 1 . . . . . . . . 5077 1 344 . 1 1 47 47 PHE H H 1 8.15 0.01 . 1 . . . . . . . . 5077 1 345 . 1 1 47 47 PHE HA H 1 4.72 0.01 . 1 . . . . . . . . 5077 1 346 . 1 1 47 47 PHE HB2 H 1 2.80 0.01 . 2 . . . . . . . . 5077 1 347 . 1 1 47 47 PHE HB3 H 1 3.32 0.01 . 2 . . . . . . . . 5077 1 348 . 1 1 47 47 PHE C C 13 175.00 0.1 . 1 . . . . . . . . 5077 1 349 . 1 1 47 47 PHE CA C 13 59.94 0.1 . 1 . . . . . . . . 5077 1 350 . 1 1 47 47 PHE CB C 13 39.61 0.1 . 1 . . . . . . . . 5077 1 351 . 1 1 47 47 PHE N N 15 119.60 0.1 . 1 . . . . . . . . 5077 1 352 . 1 1 48 48 LYS H H 1 8.90 0.01 . 1 . . . . . . . . 5077 1 353 . 1 1 48 48 LYS HA H 1 5.02 0.01 . 1 . . . . . . . . 5077 1 354 . 1 1 48 48 LYS HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5077 1 355 . 1 1 48 48 LYS HB3 H 1 0.04 0.01 . 2 . . . . . . . . 5077 1 356 . 1 1 48 48 LYS HG2 H 1 1.19 0.01 . 2 . . . . . . . . 5077 1 357 . 1 1 48 48 LYS HG3 H 1 1.07 0.01 . 2 . . . . . . . . 5077 1 358 . 1 1 48 48 LYS HD2 H 1 1.53 0.01 . 1 . . . . . . . . 5077 1 359 . 1 1 48 48 LYS HD3 H 1 1.53 0.01 . 1 . . . . . . . . 5077 1 360 . 1 1 48 48 LYS HE2 H 1 2.74 0.01 . 1 . . . . . . . . 5077 1 361 . 1 1 48 48 LYS HE3 H 1 2.74 0.01 . 1 . . . . . . . . 5077 1 362 . 1 1 48 48 LYS C C 13 174.30 0.1 . 1 . . . . . . . . 5077 1 363 . 1 1 48 48 LYS CA C 13 54.57 0.1 . 1 . . . . . . . . 5077 1 364 . 1 1 48 48 LYS CB C 13 36.27 0.1 . 1 . . . . . . . . 5077 1 365 . 1 1 48 48 LYS CG C 13 26.50 0.1 . 1 . . . . . . . . 5077 1 366 . 1 1 48 48 LYS CD C 13 30.27 0.1 . 1 . . . . . . . . 5077 1 367 . 1 1 48 48 LYS CE C 13 41.70 0.1 . 1 . . . . . . . . 5077 1 368 . 1 1 48 48 LYS N N 15 126.50 0.1 . 1 . . . . . . . . 5077 1 369 . 1 1 49 49 VAL H H 1 7.99 0.01 . 1 . . . . . . . . 5077 1 370 . 1 1 49 49 VAL HA H 1 4.96 0.01 . 1 . . . . . . . . 5077 1 371 . 1 1 49 49 VAL HB H 1 1.54 0.01 . 1 . . . . . . . . 5077 1 372 . 1 1 49 49 VAL HG11 H 1 0.62 0.01 . 2 . . . . . . . . 5077 1 373 . 1 1 49 49 VAL HG12 H 1 0.62 0.01 . 2 . . . . . . . . 5077 1 374 . 1 1 49 49 VAL HG13 H 1 0.62 0.01 . 2 . . . . . . . . 5077 1 375 . 1 1 49 49 VAL HG21 H 1 0.78 0.01 . 2 . . . . . . . . 5077 1 376 . 1 1 49 49 VAL HG22 H 1 0.78 0.01 . 2 . . . . . . . . 5077 1 377 . 1 1 49 49 VAL HG23 H 1 0.78 0.01 . 2 . . . . . . . . 5077 1 378 . 1 1 49 49 VAL C C 13 175.70 0.1 . 1 . . . . . . . . 5077 1 379 . 1 1 49 49 VAL CA C 13 59.96 0.1 . 1 . . . . . . . . 5077 1 380 . 1 1 49 49 VAL CB C 13 36.12 0.1 . 1 . . . . . . . . 5077 1 381 . 1 1 49 49 VAL CG1 C 13 21.83 0.1 . 2 . . . . . . . . 5077 1 382 . 1 1 49 49 VAL CG2 C 13 23.44 0.1 . 2 . . . . . . . . 5077 1 383 . 1 1 49 49 VAL N N 15 115.50 0.1 . 1 . . . . . . . . 5077 1 384 . 1 1 50 50 ARG H H 1 9.85 0.01 . 1 . . . . . . . . 5077 1 385 . 1 1 50 50 ARG HA H 1 5.03 0.01 . 1 . . . . . . . . 5077 1 386 . 1 1 50 50 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5077 1 387 . 1 1 50 50 ARG HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5077 1 388 . 1 1 50 50 ARG HG2 H 1 1.64 0.01 . 1 . . . . . . . . 5077 1 389 . 1 1 50 50 ARG HG3 H 1 1.64 0.01 . 1 . . . . . . . . 5077 1 390 . 1 1 50 50 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 5077 1 391 . 1 1 50 50 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 5077 1 392 . 1 1 50 50 ARG C C 13 175.40 0.1 . 1 . . . . . . . . 5077 1 393 . 1 1 50 50 ARG CA C 13 54.04 0.1 . 1 . . . . . . . . 5077 1 394 . 1 1 50 50 ARG CB C 13 29.57 0.1 . 1 . . . . . . . . 5077 1 395 . 1 1 50 50 ARG CG C 13 27.25 0.1 . 1 . . . . . . . . 5077 1 396 . 1 1 50 50 ARG CD C 13 43.15 0.1 . 1 . . . . . . . . 5077 1 397 . 1 1 50 50 ARG N N 15 131.90 0.1 . 1 . . . . . . . . 5077 1 398 . 1 1 51 51 LEU H H 1 9.10 0.01 . 1 . . . . . . . . 5077 1 399 . 1 1 51 51 LEU HA H 1 4.44 0.01 . 1 . . . . . . . . 5077 1 400 . 1 1 51 51 LEU HB2 H 1 1.38 0.01 . 2 . . . . . . . . 5077 1 401 . 1 1 51 51 LEU HB3 H 1 1.69 0.01 . 2 . . . . . . . . 5077 1 402 . 1 1 51 51 LEU HG H 1 1.38 0.01 . 1 . . . . . . . . 5077 1 403 . 1 1 51 51 LEU HD11 H 1 0.46 0.01 . 1 . . . . . . . . 5077 1 404 . 1 1 51 51 LEU HD12 H 1 0.46 0.01 . 1 . . . . . . . . 5077 1 405 . 1 1 51 51 LEU HD13 H 1 0.46 0.01 . 1 . . . . . . . . 5077 1 406 . 1 1 51 51 LEU HD21 H 1 0.46 0.01 . 1 . . . . . . . . 5077 1 407 . 1 1 51 51 LEU HD22 H 1 0.46 0.01 . 1 . . . . . . . . 5077 1 408 . 1 1 51 51 LEU HD23 H 1 0.46 0.01 . 1 . . . . . . . . 5077 1 409 . 1 1 51 51 LEU C C 13 177.20 0.1 . 1 . . . . . . . . 5077 1 410 . 1 1 51 51 LEU CA C 13 54.78 0.1 . 1 . . . . . . . . 5077 1 411 . 1 1 51 51 LEU CB C 13 43.82 0.1 . 1 . . . . . . . . 5077 1 412 . 1 1 51 51 LEU CG C 13 26.31 0.1 . 1 . . . . . . . . 5077 1 413 . 1 1 51 51 LEU CD1 C 13 23.51 0.1 . 1 . . . . . . . . 5077 1 414 . 1 1 51 51 LEU CD2 C 13 23.51 0.1 . 1 . . . . . . . . 5077 1 415 . 1 1 51 51 LEU N N 15 130.50 0.1 . 1 . . . . . . . . 5077 1 416 . 1 1 52 52 LEU H H 1 8.43 0.01 . 1 . . . . . . . . 5077 1 417 . 1 1 52 52 LEU HA H 1 4.27 0.01 . 1 . . . . . . . . 5077 1 418 . 1 1 52 52 LEU HB2 H 1 1.68 0.01 . 2 . . . . . . . . 5077 1 419 . 1 1 52 52 LEU HB3 H 1 1.76 0.01 . 2 . . . . . . . . 5077 1 420 . 1 1 52 52 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 5077 1 421 . 1 1 52 52 LEU HD11 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 422 . 1 1 52 52 LEU HD12 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 423 . 1 1 52 52 LEU HD13 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 424 . 1 1 52 52 LEU HD21 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 425 . 1 1 52 52 LEU HD22 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 426 . 1 1 52 52 LEU HD23 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 427 . 1 1 52 52 LEU C C 13 178.60 0.1 . 1 . . . . . . . . 5077 1 428 . 1 1 52 52 LEU CA C 13 56.83 0.1 . 1 . . . . . . . . 5077 1 429 . 1 1 52 52 LEU CB C 13 40.81 0.1 . 1 . . . . . . . . 5077 1 430 . 1 1 52 52 LEU CG C 13 27.78 0.1 . 1 . . . . . . . . 5077 1 431 . 1 1 52 52 LEU CD1 C 13 24.28 0.1 . 1 . . . . . . . . 5077 1 432 . 1 1 52 52 LEU CD2 C 13 24.28 0.1 . 1 . . . . . . . . 5077 1 433 . 1 1 52 52 LEU N N 15 126.70 0.1 . 1 . . . . . . . . 5077 1 434 . 1 1 53 53 GLY H H 1 9.17 0.01 . 1 . . . . . . . . 5077 1 435 . 1 1 53 53 GLY HA2 H 1 3.61 0.01 . 2 . . . . . . . . 5077 1 436 . 1 1 53 53 GLY HA3 H 1 4.02 0.01 . 2 . . . . . . . . 5077 1 437 . 1 1 53 53 GLY C C 13 173.50 0.1 . 1 . . . . . . . . 5077 1 438 . 1 1 53 53 GLY CA C 13 45.32 0.1 . 1 . . . . . . . . 5077 1 439 . 1 1 53 53 GLY N N 15 115.40 0.1 . 1 . . . . . . . . 5077 1 440 . 1 1 54 54 TYR H H 1 7.78 0.01 . 1 . . . . . . . . 5077 1 441 . 1 1 54 54 TYR HA H 1 4.81 0.01 . 1 . . . . . . . . 5077 1 442 . 1 1 54 54 TYR HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5077 1 443 . 1 1 54 54 TYR HB3 H 1 2.83 0.01 . 2 . . . . . . . . 5077 1 444 . 1 1 54 54 TYR HD1 H 1 6.60 0.01 . 1 . . . . . . . . 5077 1 445 . 1 1 54 54 TYR HD2 H 1 6.60 0.01 . 1 . . . . . . . . 5077 1 446 . 1 1 54 54 TYR C C 13 178.10 0.1 . 1 . . . . . . . . 5077 1 447 . 1 1 54 54 TYR CA C 13 56.47 0.1 . 1 . . . . . . . . 5077 1 448 . 1 1 54 54 TYR CB C 13 38.16 0.1 . 1 . . . . . . . . 5077 1 449 . 1 1 54 54 TYR CD1 C 13 133.32 0.1 . 1 . . . . . . . . 5077 1 450 . 1 1 54 54 TYR CD2 C 13 133.32 0.1 . 1 . . . . . . . . 5077 1 451 . 1 1 54 54 TYR N N 15 120.50 . . 1 . . . . . . . . 5077 1 452 . 1 1 55 55 GLU H H 1 9.51 0.01 . 1 . . . . . . . . 5077 1 453 . 1 1 55 55 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5077 1 454 . 1 1 55 55 GLU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5077 1 455 . 1 1 55 55 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5077 1 456 . 1 1 55 55 GLU HG2 H 1 2.31 0.01 . 2 . . . . . . . . 5077 1 457 . 1 1 55 55 GLU HG3 H 1 2.58 0.01 . 2 . . . . . . . . 5077 1 458 . 1 1 55 55 GLU C C 13 177.00 0.1 . 1 . . . . . . . . 5077 1 459 . 1 1 55 55 GLU CA C 13 61.46 0.1 . 1 . . . . . . . . 5077 1 460 . 1 1 55 55 GLU CB C 13 28.64 0.1 . 1 . . . . . . . . 5077 1 461 . 1 1 55 55 GLU CG C 13 37.65 0.1 . 1 . . . . . . . . 5077 1 462 . 1 1 55 55 GLU N N 15 123.10 0.1 . 1 . . . . . . . . 5077 1 463 . 1 1 56 56 GLY H H 1 8.92 0.01 . 1 . . . . . . . . 5077 1 464 . 1 1 56 56 GLY HA2 H 1 4.19 0.01 . 2 . . . . . . . . 5077 1 465 . 1 1 56 56 GLY HA3 H 1 3.73 0.01 . 2 . . . . . . . . 5077 1 466 . 1 1 56 56 GLY C C 13 174.40 0.1 . 1 . . . . . . . . 5077 1 467 . 1 1 56 56 GLY CA C 13 45.31 0.1 . 1 . . . . . . . . 5077 1 468 . 1 1 56 56 GLY N N 15 107.80 0.1 . 1 . . . . . . . . 5077 1 469 . 1 1 57 57 HIS H H 1 7.88 0.01 . 1 . . . . . . . . 5077 1 470 . 1 1 57 57 HIS HA H 1 4.53 0.01 . 1 . . . . . . . . 5077 1 471 . 1 1 57 57 HIS HB2 H 1 2.92 0.01 . 2 . . . . . . . . 5077 1 472 . 1 1 57 57 HIS HB3 H 1 3.03 0.01 . 2 . . . . . . . . 5077 1 473 . 1 1 57 57 HIS HD2 H 1 6.78 0.01 . 1 . . . . . . . . 5077 1 474 . 1 1 57 57 HIS C C 13 175.00 0.1 . 1 . . . . . . . . 5077 1 475 . 1 1 57 57 HIS CA C 13 57.73 0.1 . 1 . . . . . . . . 5077 1 476 . 1 1 57 57 HIS CB C 13 30.60 0.1 . 1 . . . . . . . . 5077 1 477 . 1 1 57 57 HIS CD2 C 13 120.2 0.1 . 1 . . . . . . . . 5077 1 478 . 1 1 57 57 HIS N N 15 120.20 0.1 . 1 . . . . . . . . 5077 1 479 . 1 1 58 58 GLU H H 1 9.23 0.01 . 1 . . . . . . . . 5077 1 480 . 1 1 58 58 GLU HA H 1 4.62 0.01 . 1 . . . . . . . . 5077 1 481 . 1 1 58 58 GLU HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5077 1 482 . 1 1 58 58 GLU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 5077 1 483 . 1 1 58 58 GLU HG2 H 1 2.18 0.01 . 1 . . . . . . . . 5077 1 484 . 1 1 58 58 GLU HG3 H 1 2.18 0.01 . 1 . . . . . . . . 5077 1 485 . 1 1 58 58 GLU C C 13 175.0 0.1 . 1 . . . . . . . . 5077 1 486 . 1 1 58 58 GLU CA C 13 55.57 0.1 . 1 . . . . . . . . 5077 1 487 . 1 1 58 58 GLU CB C 13 30.45 0.1 . 1 . . . . . . . . 5077 1 488 . 1 1 58 58 GLU CG C 13 35.23 0.1 . 1 . . . . . . . . 5077 1 489 . 1 1 58 58 GLU N N 15 127.10 0.1 . 1 . . . . . . . . 5077 1 490 . 1 1 59 59 CYS H H 1 8.52 0.01 . 1 . . . . . . . . 5077 1 491 . 1 1 59 59 CYS HA H 1 5.82 0.01 . 1 . . . . . . . . 5077 1 492 . 1 1 59 59 CYS HB2 H 1 3.88 0.01 . 2 . . . . . . . . 5077 1 493 . 1 1 59 59 CYS HB3 H 1 2.39 0.01 . 2 . . . . . . . . 5077 1 494 . 1 1 59 59 CYS C C 13 174.50 0.1 . 1 . . . . . . . . 5077 1 495 . 1 1 59 59 CYS CA C 13 55.31 0.1 . 1 . . . . . . . . 5077 1 496 . 1 1 59 59 CYS CB C 13 28.99 0.1 . 1 . . . . . . . . 5077 1 497 . 1 1 59 59 CYS N N 15 124.6 0.1 . 1 . . . . . . . . 5077 1 498 . 1 1 60 60 ILE H H 1 8.87 0.01 . 1 . . . . . . . . 5077 1 499 . 1 1 60 60 ILE HA H 1 4.23 0.01 . 1 . . . . . . . . 5077 1 500 . 1 1 60 60 ILE HB H 1 2.21 0.01 . 1 . . . . . . . . 5077 1 501 . 1 1 60 60 ILE HG12 H 1 1.64 0.01 . 2 . . . . . . . . 5077 1 502 . 1 1 60 60 ILE HG13 H 1 1.39 0.01 . 2 . . . . . . . . 5077 1 503 . 1 1 60 60 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5077 1 504 . 1 1 60 60 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5077 1 505 . 1 1 60 60 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5077 1 506 . 1 1 60 60 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5077 1 507 . 1 1 60 60 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5077 1 508 . 1 1 60 60 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5077 1 509 . 1 1 60 60 ILE C C 13 174.70 0.1 . 1 . . . . . . . . 5077 1 510 . 1 1 60 60 ILE CA C 13 60.63 0.1 . 1 . . . . . . . . 5077 1 511 . 1 1 60 60 ILE CB C 13 39.53 0.1 . 1 . . . . . . . . 5077 1 512 . 1 1 60 60 ILE CG1 C 13 28.44 0.1 . 1 . . . . . . . . 5077 1 513 . 1 1 60 60 ILE CG2 C 13 18.43 0.1 . 1 . . . . . . . . 5077 1 514 . 1 1 60 60 ILE CD1 C 13 12.55 0.1 . 1 . . . . . . . . 5077 1 515 . 1 1 60 60 ILE N N 15 124.10 0.1 . 1 . . . . . . . . 5077 1 516 . 1 1 61 61 LEU H H 1 7.40 0.01 . 1 . . . . . . . . 5077 1 517 . 1 1 61 61 LEU HA H 1 4.78 0.01 . 1 . . . . . . . . 5077 1 518 . 1 1 61 61 LEU HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5077 1 519 . 1 1 61 61 LEU HB3 H 1 1.99 0.01 . 1 . . . . . . . . 5077 1 520 . 1 1 61 61 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 5077 1 521 . 1 1 61 61 LEU HD11 H 1 1.21 0.01 . 2 . . . . . . . . 5077 1 522 . 1 1 61 61 LEU HD12 H 1 1.21 0.01 . 2 . . . . . . . . 5077 1 523 . 1 1 61 61 LEU HD13 H 1 1.21 0.01 . 2 . . . . . . . . 5077 1 524 . 1 1 61 61 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 5077 1 525 . 1 1 61 61 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 5077 1 526 . 1 1 61 61 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 5077 1 527 . 1 1 61 61 LEU C C 13 176.50 0.1 . 1 . . . . . . . . 5077 1 528 . 1 1 61 61 LEU CA C 13 53.02 0.1 . 1 . . . . . . . . 5077 1 529 . 1 1 61 61 LEU CB C 13 42.40 0.1 . 1 . . . . . . . . 5077 1 530 . 1 1 61 61 LEU CG C 13 26.00 0.1 . 1 . . . . . . . . 5077 1 531 . 1 1 61 61 LEU CD1 C 13 24.12 0.1 . 1 . . . . . . . . 5077 1 532 . 1 1 61 61 LEU CD2 C 13 24.12 0.1 . 1 . . . . . . . . 5077 1 533 . 1 1 61 61 LEU N N 15 125.30 0.1 . 1 . . . . . . . . 5077 1 534 . 1 1 62 62 LEU H H 1 9.63 0.01 . 1 . . . . . . . . 5077 1 535 . 1 1 62 62 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5077 1 536 . 1 1 62 62 LEU HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5077 1 537 . 1 1 62 62 LEU HB3 H 1 1.50 0.01 . 2 . . . . . . . . 5077 1 538 . 1 1 62 62 LEU HG H 1 0.92 0.01 . 1 . . . . . . . . 5077 1 539 . 1 1 62 62 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5077 1 540 . 1 1 62 62 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5077 1 541 . 1 1 62 62 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5077 1 542 . 1 1 62 62 LEU HD21 H 1 1.88 0.01 . 2 . . . . . . . . 5077 1 543 . 1 1 62 62 LEU HD22 H 1 1.88 0.01 . 2 . . . . . . . . 5077 1 544 . 1 1 62 62 LEU HD23 H 1 1.88 0.01 . 2 . . . . . . . . 5077 1 545 . 1 1 62 62 LEU C C 13 178.80 0.1 . 1 . . . . . . . . 5077 1 546 . 1 1 62 62 LEU CA C 13 57.97 0.1 . 1 . . . . . . . . 5077 1 547 . 1 1 62 62 LEU CB C 13 42.15 0.1 . 1 . . . . . . . . 5077 1 548 . 1 1 62 62 LEU CG C 13 25.86 0.1 . 1 . . . . . . . . 5077 1 549 . 1 1 62 62 LEU CD1 C 13 22.31 0.1 . 1 . . . . . . . . 5077 1 550 . 1 1 62 62 LEU CD2 C 13 22.31 0.1 . 1 . . . . . . . . 5077 1 551 . 1 1 62 62 LEU N N 15 128.80 0.1 . 1 . . . . . . . . 5077 1 552 . 1 1 63 63 ASP H H 1 8.93 0.01 . 1 . . . . . . . . 5077 1 553 . 1 1 63 63 ASP HA H 1 4.05 0.01 . 1 . . . . . . . . 5077 1 554 . 1 1 63 63 ASP HB2 H 1 1.34 0.01 . 2 . . . . . . . . 5077 1 555 . 1 1 63 63 ASP HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5077 1 556 . 1 1 63 63 ASP C C 13 176.40 0.1 . 1 . . . . . . . . 5077 1 557 . 1 1 63 63 ASP CA C 13 55.91 0.1 . 1 . . . . . . . . 5077 1 558 . 1 1 63 63 ASP CB C 13 40.19 0.1 . 1 . . . . . . . . 5077 1 559 . 1 1 63 63 ASP N N 15 112.40 0.1 . 1 . . . . . . . . 5077 1 560 . 1 1 64 64 TYR H H 1 6.75 0.01 . 1 . . . . . . . . 5077 1 561 . 1 1 64 64 TYR HA H 1 4.91 0.01 . 1 . . . . . . . . 5077 1 562 . 1 1 64 64 TYR HB2 H 1 2.45 0.01 . 2 . . . . . . . . 5077 1 563 . 1 1 64 64 TYR HB3 H 1 3.48 0.01 . 2 . . . . . . . . 5077 1 564 . 1 1 64 64 TYR HD1 H 1 6.71 0.01 . 1 . . . . . . . . 5077 1 565 . 1 1 64 64 TYR HD2 H 1 6.71 0.01 . 1 . . . . . . . . 5077 1 566 . 1 1 64 64 TYR HE1 H 1 6.51 0.01 . 1 . . . . . . . . 5077 1 567 . 1 1 64 64 TYR HE2 H 1 6.51 0.01 . 1 . . . . . . . . 5077 1 568 . 1 1 64 64 TYR C C 13 175.70 0.1 . 1 . . . . . . . . 5077 1 569 . 1 1 64 64 TYR CA C 13 56.23 0.1 . 1 . . . . . . . . 5077 1 570 . 1 1 64 64 TYR CB C 13 39.45 0.1 . 1 . . . . . . . . 5077 1 571 . 1 1 64 64 TYR CD1 C 13 132.62 0.1 . 1 . . . . . . . . 5077 1 572 . 1 1 64 64 TYR CD2 C 13 132.62 0.1 . 1 . . . . . . . . 5077 1 573 . 1 1 64 64 TYR CE1 C 13 117.8 0.1 . 1 . . . . . . . . 5077 1 574 . 1 1 64 64 TYR CE2 C 13 117.8 0.1 . 1 . . . . . . . . 5077 1 575 . 1 1 64 64 TYR N N 15 111.10 0.1 . 1 . . . . . . . . 5077 1 576 . 1 1 65 65 LEU H H 1 7.20 0.01 . 1 . . . . . . . . 5077 1 577 . 1 1 65 65 LEU HA H 1 4.46 0.01 . 1 . . . . . . . . 5077 1 578 . 1 1 65 65 LEU HB2 H 1 1.60 0.01 . 2 . . . . . . . . 5077 1 579 . 1 1 65 65 LEU HB3 H 1 1.72 0.01 . 2 . . . . . . . . 5077 1 580 . 1 1 65 65 LEU HG H 1 1.85 0.01 . 1 . . . . . . . . 5077 1 581 . 1 1 65 65 LEU HD11 H 1 1.04 0.01 . 1 . . . . . . . . 5077 1 582 . 1 1 65 65 LEU HD12 H 1 1.04 0.01 . 1 . . . . . . . . 5077 1 583 . 1 1 65 65 LEU HD13 H 1 1.04 0.01 . 1 . . . . . . . . 5077 1 584 . 1 1 65 65 LEU HD21 H 1 1.04 0.01 . 1 . . . . . . . . 5077 1 585 . 1 1 65 65 LEU HD22 H 1 1.04 0.01 . 1 . . . . . . . . 5077 1 586 . 1 1 65 65 LEU HD23 H 1 1.04 0.01 . 1 . . . . . . . . 5077 1 587 . 1 1 65 65 LEU C C 13 177.80 0.1 . 1 . . . . . . . . 5077 1 588 . 1 1 65 65 LEU CA C 13 56.66 0.1 . 1 . . . . . . . . 5077 1 589 . 1 1 65 65 LEU CB C 13 43.20 0.1 . 1 . . . . . . . . 5077 1 590 . 1 1 65 65 LEU CG C 13 23.69 0.1 . 1 . . . . . . . . 5077 1 591 . 1 1 65 65 LEU CD1 C 13 25.69 0.1 . 1 . . . . . . . . 5077 1 592 . 1 1 65 65 LEU CD2 C 13 25.69 0.1 . 1 . . . . . . . . 5077 1 593 . 1 1 65 65 LEU N N 15 120.70 0.1 . 1 . . . . . . . . 5077 1 594 . 1 1 66 66 ASN H H 1 8.89 0.01 . 1 . . . . . . . . 5077 1 595 . 1 1 66 66 ASN HA H 1 4.79 0.01 . 1 . . . . . . . . 5077 1 596 . 1 1 66 66 ASN HB2 H 1 2.78 0.01 . 1 . . . . . . . . 5077 1 597 . 1 1 66 66 ASN HB3 H 1 2.92 0.01 . 1 . . . . . . . . 5077 1 598 . 1 1 66 66 ASN CA C 13 53.19 0.1 . 1 . . . . . . . . 5077 1 599 . 1 1 66 66 ASN CB C 13 37.84 0.1 . 1 . . . . . . . . 5077 1 600 . 1 1 66 66 ASN N N 15 115.70 0.1 . 1 . . . . . . . . 5077 1 601 . 1 1 71 71 THR C C 13 175.40 0.1 . 1 . . . . . . . . 5077 1 602 . 1 1 72 72 LEU H H 1 7.64 0.01 . 1 . . . . . . . . 5077 1 603 . 1 1 72 72 LEU HA H 1 3.97 0.01 . 1 . . . . . . . . 5077 1 604 . 1 1 72 72 LEU HB2 H 1 1.76 0.01 . 1 . . . . . . . . 5077 1 605 . 1 1 72 72 LEU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 5077 1 606 . 1 1 72 72 LEU HG H 1 1.37 0.01 . 1 . . . . . . . . 5077 1 607 . 1 1 72 72 LEU HD11 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 608 . 1 1 72 72 LEU HD12 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 609 . 1 1 72 72 LEU HD13 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 610 . 1 1 72 72 LEU HD21 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 611 . 1 1 72 72 LEU HD22 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 612 . 1 1 72 72 LEU HD23 H 1 0.98 0.01 . 1 . . . . . . . . 5077 1 613 . 1 1 72 72 LEU C C 13 177.60 0.1 . 1 . . . . . . . . 5077 1 614 . 1 1 72 72 LEU CA C 13 58.42 0.1 . 1 . . . . . . . . 5077 1 615 . 1 1 72 72 LEU CB C 13 41.68 0.1 . 1 . . . . . . . . 5077 1 616 . 1 1 72 72 LEU CG C 13 24.76 0.1 . 1 . . . . . . . . 5077 1 617 . 1 1 72 72 LEU CD1 C 13 22.97 0.1 . 1 . . . . . . . . 5077 1 618 . 1 1 72 72 LEU CD2 C 13 22.97 0.1 . 1 . . . . . . . . 5077 1 619 . 1 1 72 72 LEU N N 15 123.40 0.1 . 1 . . . . . . . . 5077 1 620 . 1 1 73 73 ASP H H 1 8.62 0.01 . 1 . . . . . . . . 5077 1 621 . 1 1 73 73 ASP HA H 1 4.21 0.01 . 1 . . . . . . . . 5077 1 622 . 1 1 73 73 ASP HB2 H 1 2.64 0.01 . 1 . . . . . . . . 5077 1 623 . 1 1 73 73 ASP HB3 H 1 2.64 0.01 . 1 . . . . . . . . 5077 1 624 . 1 1 73 73 ASP C C 13 179.10 0.01 . 1 . . . . . . . . 5077 1 625 . 1 1 73 73 ASP CA C 13 58.16 0.1 . 1 . . . . . . . . 5077 1 626 . 1 1 73 73 ASP CB C 13 39.71 0.1 . 1 . . . . . . . . 5077 1 627 . 1 1 73 73 ASP N N 15 117.90 0.1 . 1 . . . . . . . . 5077 1 628 . 1 1 74 74 ARG H H 1 7.78 0.01 . 1 . . . . . . . . 5077 1 629 . 1 1 74 74 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 5077 1 630 . 1 1 74 74 ARG HB2 H 1 1.93 0.01 . 1 . . . . . . . . 5077 1 631 . 1 1 74 74 ARG HB3 H 1 1.93 0.01 . 1 . . . . . . . . 5077 1 632 . 1 1 74 74 ARG HG2 H 1 1.73 0.01 . 1 . . . . . . . . 5077 1 633 . 1 1 74 74 ARG HG3 H 1 1.73 0.01 . 1 . . . . . . . . 5077 1 634 . 1 1 74 74 ARG HD2 H 1 3.26 0.01 . 1 . . . . . . . . 5077 1 635 . 1 1 74 74 ARG HD3 H 1 3.26 0.01 . 1 . . . . . . . . 5077 1 636 . 1 1 74 74 ARG C C 13 178.90 0.1 . 1 . . . . . . . . 5077 1 637 . 1 1 74 74 ARG CA C 13 58.41 0.1 . 1 . . . . . . . . 5077 1 638 . 1 1 74 74 ARG CB C 13 30.01 0.1 . 1 . . . . . . . . 5077 1 639 . 1 1 74 74 ARG CG C 13 26.98 0.1 . 1 . . . . . . . . 5077 1 640 . 1 1 74 74 ARG CD C 13 43.28 0.1 . 1 . . . . . . . . 5077 1 641 . 1 1 74 74 ARG N N 15 119.90 0.1 . 1 . . . . . . . . 5077 1 642 . 1 1 75 75 LEU H H 1 8.01 0.01 . 1 . . . . . . . . 5077 1 643 . 1 1 75 75 LEU HA H 1 3.92 0.01 . 1 . . . . . . . . 5077 1 644 . 1 1 75 75 LEU HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5077 1 645 . 1 1 75 75 LEU HB3 H 1 1.25 0.01 . 2 . . . . . . . . 5077 1 646 . 1 1 75 75 LEU HG H 1 1.44 0.01 . 1 . . . . . . . . 5077 1 647 . 1 1 75 75 LEU HD11 H 1 0.51 0.01 . 2 . . . . . . . . 5077 1 648 . 1 1 75 75 LEU HD12 H 1 0.51 0.01 . 2 . . . . . . . . 5077 1 649 . 1 1 75 75 LEU HD13 H 1 0.51 0.01 . 2 . . . . . . . . 5077 1 650 . 1 1 75 75 LEU HD21 H 1 0.52 0.01 . 2 . . . . . . . . 5077 1 651 . 1 1 75 75 LEU HD22 H 1 0.52 0.01 . 2 . . . . . . . . 5077 1 652 . 1 1 75 75 LEU HD23 H 1 0.52 0.01 . 2 . . . . . . . . 5077 1 653 . 1 1 75 75 LEU C C 13 179.10 0.1 . 1 . . . . . . . . 5077 1 654 . 1 1 75 75 LEU CA C 13 57.72 0.1 . 1 . . . . . . . . 5077 1 655 . 1 1 75 75 LEU CB C 13 42.38 0.1 . 1 . . . . . . . . 5077 1 656 . 1 1 75 75 LEU CG C 13 23.40 0.1 . 1 . . . . . . . . 5077 1 657 . 1 1 75 75 LEU CD1 C 13 23.40 0.1 . 2 . . . . . . . . 5077 1 658 . 1 1 75 75 LEU CD2 C 13 23.77 0.1 . 2 . . . . . . . . 5077 1 659 . 1 1 75 75 LEU N N 15 121.10 0.1 . 1 . . . . . . . . 5077 1 660 . 1 1 76 76 LYS H H 1 8.70 0.01 . 1 . . . . . . . . 5077 1 661 . 1 1 76 76 LYS HA H 1 3.90 0.01 . 1 . . . . . . . . 5077 1 662 . 1 1 76 76 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 5077 1 663 . 1 1 76 76 LYS HB3 H 1 1.78 0.01 . 1 . . . . . . . . 5077 1 664 . 1 1 76 76 LYS HG2 H 1 1.15 0.01 . 1 . . . . . . . . 5077 1 665 . 1 1 76 76 LYS HG3 H 1 1.15 0.01 . 1 . . . . . . . . 5077 1 666 . 1 1 76 76 LYS HD2 H 1 1.35 0.01 . 1 . . . . . . . . 5077 1 667 . 1 1 76 76 LYS HD3 H 1 1.35 0.01 . 1 . . . . . . . . 5077 1 668 . 1 1 76 76 LYS C C 13 178.90 0.1 . 1 . . . . . . . . 5077 1 669 . 1 1 76 76 LYS CA C 13 60.81 0.1 . 1 . . . . . . . . 5077 1 670 . 1 1 76 76 LYS CB C 13 32.38 0.1 . 1 . . . . . . . . 5077 1 671 . 1 1 76 76 LYS CG C 13 25.76 0.1 . 1 . . . . . . . . 5077 1 672 . 1 1 76 76 LYS CD C 13 29.53 0.1 . 1 . . . . . . . . 5077 1 673 . 1 1 76 76 LYS CE C 13 41.05 0.1 . 1 . . . . . . . . 5077 1 674 . 1 1 76 76 LYS N N 15 118.00 0.1 . 1 . . . . . . . . 5077 1 675 . 1 1 77 77 GLU H H 1 7.58 0.01 . 1 . . . . . . . . 5077 1 676 . 1 1 77 77 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 5077 1 677 . 1 1 77 77 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 5077 1 678 . 1 1 77 77 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 5077 1 679 . 1 1 77 77 GLU HG2 H 1 2.28 0.01 . 2 . . . . . . . . 5077 1 680 . 1 1 77 77 GLU HG3 H 1 2.40 0.01 . 2 . . . . . . . . 5077 1 681 . 1 1 77 77 GLU C C 13 178.20 0.1 . 1 . . . . . . . . 5077 1 682 . 1 1 77 77 GLU CA C 13 59.05 0.1 . 1 . . . . . . . . 5077 1 683 . 1 1 77 77 GLU CB C 13 29.57 0.1 . 1 . . . . . . . . 5077 1 684 . 1 1 77 77 GLU CG C 13 36.09 0.1 . 1 . . . . . . . . 5077 1 685 . 1 1 77 77 GLU N N 15 117.10 0.1 . 1 . . . . . . . . 5077 1 686 . 1 1 78 78 ARG H H 1 7.61 0.01 . 1 . . . . . . . . 5077 1 687 . 1 1 78 78 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 5077 1 688 . 1 1 78 78 ARG HB2 H 1 1.85 0.01 . 1 . . . . . . . . 5077 1 689 . 1 1 78 78 ARG HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5077 1 690 . 1 1 78 78 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 5077 1 691 . 1 1 78 78 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 5077 1 692 . 1 1 78 78 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 5077 1 693 . 1 1 78 78 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 5077 1 694 . 1 1 78 78 ARG C C 13 177.20 0.1 . 1 . . . . . . . . 5077 1 695 . 1 1 78 78 ARG CA C 13 57.48 0.1 . 1 . . . . . . . . 5077 1 696 . 1 1 78 78 ARG CB C 13 31.32 0.1 . 1 . . . . . . . . 5077 1 697 . 1 1 78 78 ARG CG C 13 27.20 0.1 . 1 . . . . . . . . 5077 1 698 . 1 1 78 78 ARG CD C 13 43.53 0.1 . 1 . . . . . . . . 5077 1 699 . 1 1 78 78 ARG N N 15 115.80 0.1 . 1 . . . . . . . . 5077 1 700 . 1 1 79 79 LEU H H 1 7.95 0.01 . 1 . . . . . . . . 5077 1 701 . 1 1 79 79 LEU HA H 1 4.39 0.01 . 1 . . . . . . . . 5077 1 702 . 1 1 79 79 LEU HB2 H 1 1.13 0.01 . 2 . . . . . . . . 5077 1 703 . 1 1 79 79 LEU HB3 H 1 1.50 0.01 . 2 . . . . . . . . 5077 1 704 . 1 1 79 79 LEU HG H 1 0.47 0.01 . 1 . . . . . . . . 5077 1 705 . 1 1 79 79 LEU HD11 H 1 -0.25 0.01 . 2 . . . . . . . . 5077 1 706 . 1 1 79 79 LEU HD12 H 1 -0.25 0.01 . 2 . . . . . . . . 5077 1 707 . 1 1 79 79 LEU HD13 H 1 -0.25 0.01 . 2 . . . . . . . . 5077 1 708 . 1 1 79 79 LEU HD21 H 1 1.33 0.01 . 2 . . . . . . . . 5077 1 709 . 1 1 79 79 LEU HD22 H 1 1.33 0.01 . 2 . . . . . . . . 5077 1 710 . 1 1 79 79 LEU HD23 H 1 1.33 0.01 . 2 . . . . . . . . 5077 1 711 . 1 1 79 79 LEU C C 13 177.80 0.1 . 1 . . . . . . . . 5077 1 712 . 1 1 79 79 LEU CA C 13 56.22 0.1 . 1 . . . . . . . . 5077 1 713 . 1 1 79 79 LEU CB C 13 46.01 0.1 . 1 . . . . . . . . 5077 1 714 . 1 1 79 79 LEU CG C 13 22.63 0.1 . 1 . . . . . . . . 5077 1 715 . 1 1 79 79 LEU CD1 C 13 24.37 0.1 . 1 . . . . . . . . 5077 1 716 . 1 1 79 79 LEU CD2 C 13 24.37 0.1 . 1 . . . . . . . . 5077 1 717 . 1 1 79 79 LEU N N 15 116.30 0.1 . 1 . . . . . . . . 5077 1 718 . 1 1 80 80 VAL H H 1 8.16 0.01 . 1 . . . . . . . . 5077 1 719 . 1 1 80 80 VAL HA H 1 3.41 0.01 . 1 . . . . . . . . 5077 1 720 . 1 1 80 80 VAL HB H 1 2.31 0.01 . 1 . . . . . . . . 5077 1 721 . 1 1 80 80 VAL HG11 H 1 1.17 0.01 . 1 . . . . . . . . 5077 1 722 . 1 1 80 80 VAL HG12 H 1 1.17 0.01 . 1 . . . . . . . . 5077 1 723 . 1 1 80 80 VAL HG13 H 1 1.17 0.01 . 1 . . . . . . . . 5077 1 724 . 1 1 80 80 VAL HG21 H 1 1.17 0.01 . 1 . . . . . . . . 5077 1 725 . 1 1 80 80 VAL HG22 H 1 1.17 0.01 . 1 . . . . . . . . 5077 1 726 . 1 1 80 80 VAL HG23 H 1 1.17 0.01 . 1 . . . . . . . . 5077 1 727 . 1 1 80 80 VAL C C 13 178.20 0.1 . 1 . . . . . . . . 5077 1 728 . 1 1 80 80 VAL CA C 13 67.08 0.1 . 1 . . . . . . . . 5077 1 729 . 1 1 80 80 VAL CB C 13 30.47 0.1 . 1 . . . . . . . . 5077 1 730 . 1 1 80 80 VAL CG1 C 13 21.75 0.1 . 1 . . . . . . . . 5077 1 731 . 1 1 80 80 VAL CG2 C 13 21.75 0.1 . 1 . . . . . . . . 5077 1 732 . 1 1 80 80 VAL N N 15 116.50 0.1 . 1 . . . . . . . . 5077 1 733 . 1 1 81 81 GLY H H 1 9.09 0.01 . 1 . . . . . . . . 5077 1 734 . 1 1 81 81 GLY HA2 H 1 4.40 0.01 . 2 . . . . . . . . 5077 1 735 . 1 1 81 81 GLY HA3 H 1 3.67 0.01 . 2 . . . . . . . . 5077 1 736 . 1 1 81 81 GLY C C 13 173.60 0.1 . 1 . . . . . . . . 5077 1 737 . 1 1 81 81 GLY CA C 13 45.19 0.1 . 1 . . . . . . . . 5077 1 738 . 1 1 81 81 GLY N N 15 115.20 0.1 . 1 . . . . . . . . 5077 1 739 . 1 1 82 82 ARG H H 1 8.02 0.01 . 1 . . . . . . . . 5077 1 740 . 1 1 82 82 ARG HA H 1 4.44 0.01 . 1 . . . . . . . . 5077 1 741 . 1 1 82 82 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5077 1 742 . 1 1 82 82 ARG HB3 H 1 1.92 0.01 . 2 . . . . . . . . 5077 1 743 . 1 1 82 82 ARG HG2 H 1 1.74 0.01 . 2 . . . . . . . . 5077 1 744 . 1 1 82 82 ARG HG3 H 1 1.59 0.01 . 2 . . . . . . . . 5077 1 745 . 1 1 82 82 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 5077 1 746 . 1 1 82 82 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 5077 1 747 . 1 1 82 82 ARG C C 13 175.30 0.1 . 1 . . . . . . . . 5077 1 748 . 1 1 82 82 ARG CA C 13 55.36 0.1 . 1 . . . . . . . . 5077 1 749 . 1 1 82 82 ARG CB C 13 31.04 0.1 . 1 . . . . . . . . 5077 1 750 . 1 1 82 82 ARG CG C 13 27.49 0.1 . 1 . . . . . . . . 5077 1 751 . 1 1 82 82 ARG CD C 13 43.17 0.1 . 1 . . . . . . . . 5077 1 752 . 1 1 82 82 ARG N N 15 120.70 0.1 . 1 . . . . . . . . 5077 1 753 . 1 1 83 83 VAL H H 1 8.38 0.01 . 1 . . . . . . . . 5077 1 754 . 1 1 83 83 VAL HA H 1 4.72 0.01 . 1 . . . . . . . . 5077 1 755 . 1 1 83 83 VAL HB H 1 2.00 0.01 . 1 . . . . . . . . 5077 1 756 . 1 1 83 83 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 5077 1 757 . 1 1 83 83 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 5077 1 758 . 1 1 83 83 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 5077 1 759 . 1 1 83 83 VAL HG21 H 1 1.01 0.01 . 2 . . . . . . . . 5077 1 760 . 1 1 83 83 VAL HG22 H 1 1.01 0.01 . 2 . . . . . . . . 5077 1 761 . 1 1 83 83 VAL HG23 H 1 1.01 0.01 . 2 . . . . . . . . 5077 1 762 . 1 1 83 83 VAL C C 13 176.90 0.1 . 1 . . . . . . . . 5077 1 763 . 1 1 83 83 VAL CA C 13 61.80 0.1 . 1 . . . . . . . . 5077 1 764 . 1 1 83 83 VAL CB C 13 31.35 0.1 . 1 . . . . . . . . 5077 1 765 . 1 1 83 83 VAL CG1 C 13 21.34 0.1 . 1 . . . . . . . . 5077 1 766 . 1 1 83 83 VAL CG2 C 13 21.34 0.1 . 1 . . . . . . . . 5077 1 767 . 1 1 83 83 VAL N N 15 122.80 0.1 . 1 . . . . . . . . 5077 1 768 . 1 1 84 84 ILE H H 1 9.09 0.01 . 1 . . . . . . . . 5077 1 769 . 1 1 84 84 ILE HA H 1 4.91 0.01 . 1 . . . . . . . . 5077 1 770 . 1 1 84 84 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 5077 1 771 . 1 1 84 84 ILE HG12 H 1 0.98 0.01 . 2 . . . . . . . . 5077 1 772 . 1 1 84 84 ILE HG13 H 1 1.31 0.01 . 2 . . . . . . . . 5077 1 773 . 1 1 84 84 ILE HG21 H 1 0.82 0.01 . 1 . . . . . . . . 5077 1 774 . 1 1 84 84 ILE HG22 H 1 0.82 0.01 . 1 . . . . . . . . 5077 1 775 . 1 1 84 84 ILE HG23 H 1 0.82 0.01 . 1 . . . . . . . . 5077 1 776 . 1 1 84 84 ILE HD11 H 1 0.64 0.01 . 1 . . . . . . . . 5077 1 777 . 1 1 84 84 ILE HD12 H 1 0.64 0.01 . 1 . . . . . . . . 5077 1 778 . 1 1 84 84 ILE HD13 H 1 0.64 0.01 . 1 . . . . . . . . 5077 1 779 . 1 1 84 84 ILE C C 13 174.30 0.1 . 1 . . . . . . . . 5077 1 780 . 1 1 84 84 ILE CA C 13 59.01 0.1 . 1 . . . . . . . . 5077 1 781 . 1 1 84 84 ILE CB C 13 42.58 0.1 . 1 . . . . . . . . 5077 1 782 . 1 1 84 84 ILE CG1 C 13 24.64 0.1 . 1 . . . . . . . . 5077 1 783 . 1 1 84 84 ILE CG2 C 13 16.95 0.1 . 1 . . . . . . . . 5077 1 784 . 1 1 84 84 ILE CD1 C 13 15.31 0.1 . 1 . . . . . . . . 5077 1 785 . 1 1 84 84 ILE N N 15 121.90 0.1 . 1 . . . . . . . . 5077 1 786 . 1 1 85 85 LYS H H 1 8.50 0.01 . 1 . . . . . . . . 5077 1 787 . 1 1 85 85 LYS HA H 1 4.75 0.01 . 1 . . . . . . . . 5077 1 788 . 1 1 85 85 LYS HB2 H 1 1.61 0.01 . 2 . . . . . . . . 5077 1 789 . 1 1 85 85 LYS HB3 H 1 1.92 0.01 . 2 . . . . . . . . 5077 1 790 . 1 1 85 85 LYS HG2 H 1 1.28 0.01 . 1 . . . . . . . . 5077 1 791 . 1 1 85 85 LYS HG3 H 1 1.28 0.01 . 1 . . . . . . . . 5077 1 792 . 1 1 85 85 LYS HD2 H 1 1.58 0.01 . 1 . . . . . . . . 5077 1 793 . 1 1 85 85 LYS HD3 H 1 1.58 0.01 . 1 . . . . . . . . 5077 1 794 . 1 1 85 85 LYS HE2 H 1 2.79 0.01 . 1 . . . . . . . . 5077 1 795 . 1 1 85 85 LYS HE3 H 1 2.79 0.01 . 1 . . . . . . . . 5077 1 796 . 1 1 85 85 LYS C C 13 176.70 0.1 . 1 . . . . . . . . 5077 1 797 . 1 1 85 85 LYS CA C 13 56.27 0.1 . 1 . . . . . . . . 5077 1 798 . 1 1 85 85 LYS CB C 13 34.16 0.1 . 1 . . . . . . . . 5077 1 799 . 1 1 85 85 LYS CG C 13 26.05 0.1 . 1 . . . . . . . . 5077 1 800 . 1 1 85 85 LYS CD C 13 29.38 0.1 . 1 . . . . . . . . 5077 1 801 . 1 1 85 85 LYS CE C 13 41.82 0.1 . 1 . . . . . . . . 5077 1 802 . 1 1 85 85 LYS N N 15 120.30 0.1 . 1 . . . . . . . . 5077 1 803 . 1 1 86 86 THR H H 1 8.53 0.01 . 1 . . . . . . . . 5077 1 804 . 1 1 86 86 THR HA H 1 5.23 0.01 . 1 . . . . . . . . 5077 1 805 . 1 1 86 86 THR HB H 1 3.93 0.01 . 1 . . . . . . . . 5077 1 806 . 1 1 86 86 THR HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5077 1 807 . 1 1 86 86 THR HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5077 1 808 . 1 1 86 86 THR HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5077 1 809 . 1 1 86 86 THR C C 13 171.70 0.1 . 1 . . . . . . . . 5077 1 810 . 1 1 86 86 THR CA C 13 59.86 0.1 . 1 . . . . . . . . 5077 1 811 . 1 1 86 86 THR CB C 13 72.51 0.1 . 1 . . . . . . . . 5077 1 812 . 1 1 86 86 THR CG2 C 13 22.84 0.1 . 1 . . . . . . . . 5077 1 813 . 1 1 86 86 THR N N 15 113.20 0.1 . 1 . . . . . . . . 5077 1 814 . 1 1 87 87 ARG H H 1 9.38 0.01 . 1 . . . . . . . . 5077 1 815 . 1 1 87 87 ARG HA H 1 5.46 0.01 . 1 . . . . . . . . 5077 1 816 . 1 1 87 87 ARG HB2 H 1 1.42 0.01 . 2 . . . . . . . . 5077 1 817 . 1 1 87 87 ARG HB3 H 1 1.61 0.01 . 2 . . . . . . . . 5077 1 818 . 1 1 87 87 ARG HG2 H 1 1.40 0.01 . 1 . . . . . . . . 5077 1 819 . 1 1 87 87 ARG HG3 H 1 1.40 0.01 . 1 . . . . . . . . 5077 1 820 . 1 1 87 87 ARG HD2 H 1 3.10 0.01 . 1 . . . . . . . . 5077 1 821 . 1 1 87 87 ARG HD3 H 1 3.10 0.01 . 1 . . . . . . . . 5077 1 822 . 1 1 87 87 ARG C C 13 176.20 0.1 . 1 . . . . . . . . 5077 1 823 . 1 1 87 87 ARG CA C 13 53.47 0.1 . 1 . . . . . . . . 5077 1 824 . 1 1 87 87 ARG CB C 13 34.10 0.1 . 1 . . . . . . . . 5077 1 825 . 1 1 87 87 ARG CG C 13 27.42 0.1 . 1 . . . . . . . . 5077 1 826 . 1 1 87 87 ARG CD C 13 43.71 0.1 . 1 . . . . . . . . 5077 1 827 . 1 1 87 87 ARG N N 15 119.00 0.1 . 1 . . . . . . . . 5077 1 828 . 1 1 88 88 VAL H H 1 8.57 0.01 . 1 . . . . . . . . 5077 1 829 . 1 1 88 88 VAL HA H 1 3.89 0.01 . 1 . . . . . . . . 5077 1 830 . 1 1 88 88 VAL HB H 1 2.20 0.01 . 1 . . . . . . . . 5077 1 831 . 1 1 88 88 VAL HG11 H 1 0.69 0.01 . 2 . . . . . . . . 5077 1 832 . 1 1 88 88 VAL HG12 H 1 0.69 0.01 . 2 . . . . . . . . 5077 1 833 . 1 1 88 88 VAL HG13 H 1 0.69 0.01 . 2 . . . . . . . . 5077 1 834 . 1 1 88 88 VAL HG21 H 1 0.58 0.01 . 2 . . . . . . . . 5077 1 835 . 1 1 88 88 VAL HG22 H 1 0.58 0.01 . 2 . . . . . . . . 5077 1 836 . 1 1 88 88 VAL HG23 H 1 0.58 0.01 . 2 . . . . . . . . 5077 1 837 . 1 1 88 88 VAL C C 13 176.90 0.1 . 1 . . . . . . . . 5077 1 838 . 1 1 88 88 VAL CA C 13 63.69 0.1 . 1 . . . . . . . . 5077 1 839 . 1 1 88 88 VAL CB C 13 32.18 0.1 . 1 . . . . . . . . 5077 1 840 . 1 1 88 88 VAL CG1 C 13 22.34 0.1 . 2 . . . . . . . . 5077 1 841 . 1 1 88 88 VAL CG2 C 13 20.80 0.1 . 2 . . . . . . . . 5077 1 842 . 1 1 88 88 VAL N N 15 123.80 0.1 . 1 . . . . . . . . 5077 1 843 . 1 1 89 89 VAL H H 1 9.30 0.01 . 1 . . . . . . . . 5077 1 844 . 1 1 89 89 VAL HA H 1 4.15 0.01 . 1 . . . . . . . . 5077 1 845 . 1 1 89 89 VAL HB H 1 1.85 0.01 . 1 . . . . . . . . 5077 1 846 . 1 1 89 89 VAL HG11 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 847 . 1 1 89 89 VAL HG12 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 848 . 1 1 89 89 VAL HG13 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 849 . 1 1 89 89 VAL HG21 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 850 . 1 1 89 89 VAL HG22 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 851 . 1 1 89 89 VAL HG23 H 1 0.97 0.01 . 1 . . . . . . . . 5077 1 852 . 1 1 89 89 VAL C C 13 175.30 0.1 . 1 . . . . . . . . 5077 1 853 . 1 1 89 89 VAL CA C 13 64.04 0.1 . 1 . . . . . . . . 5077 1 854 . 1 1 89 89 VAL CB C 13 32.50 0.1 . 1 . . . . . . . . 5077 1 855 . 1 1 89 89 VAL CG1 C 13 20.86 0.1 . 1 . . . . . . . . 5077 1 856 . 1 1 89 89 VAL CG2 C 13 21.98 0.1 . 1 . . . . . . . . 5077 1 857 . 1 1 89 89 VAL N N 15 130.70 0.1 . 1 . . . . . . . . 5077 1 858 . 1 1 90 90 ARG H H 1 7.62 0.01 . 1 . . . . . . . . 5077 1 859 . 1 1 90 90 ARG HA H 1 4.52 0.01 . 1 . . . . . . . . 5077 1 860 . 1 1 90 90 ARG HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5077 1 861 . 1 1 90 90 ARG HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5077 1 862 . 1 1 90 90 ARG HG2 H 1 1.62 0.01 . 2 . . . . . . . . 5077 1 863 . 1 1 90 90 ARG HG3 H 1 1.52 0.01 . 2 . . . . . . . . 5077 1 864 . 1 1 90 90 ARG HD2 H 1 3.29 0.01 . 1 . . . . . . . . 5077 1 865 . 1 1 90 90 ARG HD3 H 1 3.29 0.01 . 1 . . . . . . . . 5077 1 866 . 1 1 90 90 ARG C C 13 172.70 0.1 . 1 . . . . . . . . 5077 1 867 . 1 1 90 90 ARG CA C 13 55.42 0.1 . 1 . . . . . . . . 5077 1 868 . 1 1 90 90 ARG CB C 13 33.76 0.1 . 1 . . . . . . . . 5077 1 869 . 1 1 90 90 ARG CG C 13 27.20 0.1 . 1 . . . . . . . . 5077 1 870 . 1 1 90 90 ARG CD C 13 43.16 0.1 . 1 . . . . . . . . 5077 1 871 . 1 1 90 90 ARG N N 15 116.80 0.1 . 1 . . . . . . . . 5077 1 872 . 1 1 91 91 ALA H H 1 8.91 0.01 . 1 . . . . . . . . 5077 1 873 . 1 1 91 91 ALA HA H 1 5.07 0.01 . 1 . . . . . . . . 5077 1 874 . 1 1 91 91 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 5077 1 875 . 1 1 91 91 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 5077 1 876 . 1 1 91 91 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 5077 1 877 . 1 1 91 91 ALA C C 13 175.10 0.1 . 1 . . . . . . . . 5077 1 878 . 1 1 91 91 ALA CA C 13 51.84 0.1 . 1 . . . . . . . . 5077 1 879 . 1 1 91 91 ALA CB C 13 22.04 0.1 . 1 . . . . . . . . 5077 1 880 . 1 1 91 91 ALA N N 15 126.30 0.1 . 1 . . . . . . . . 5077 1 881 . 1 1 92 92 ASP H H 1 8.90 0.01 . 1 . . . . . . . . 5077 1 882 . 1 1 92 92 ASP HA H 1 4.87 0.01 . 1 . . . . . . . . 5077 1 883 . 1 1 92 92 ASP HB2 H 1 2.58 0.01 . 2 . . . . . . . . 5077 1 884 . 1 1 92 92 ASP HB3 H 1 2.85 0.01 . 2 . . . . . . . . 5077 1 885 . 1 1 92 92 ASP C C 13 175.90 0.1 . 1 . . . . . . . . 5077 1 886 . 1 1 92 92 ASP CA C 13 53.09 0.1 . 1 . . . . . . . . 5077 1 887 . 1 1 92 92 ASP CB C 13 42.09 0.1 . 1 . . . . . . . . 5077 1 888 . 1 1 92 92 ASP N N 15 123.80 0.1 . 1 . . . . . . . . 5077 1 889 . 1 1 93 93 GLY H H 1 8.78 0.01 . 1 . . . . . . . . 5077 1 890 . 1 1 93 93 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 5077 1 891 . 1 1 93 93 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 5077 1 892 . 1 1 93 93 GLY C C 13 174.80 0.1 . 1 . . . . . . . . 5077 1 893 . 1 1 93 93 GLY CA C 13 46.87 0.1 . 1 . . . . . . . . 5077 1 894 . 1 1 93 93 GLY N N 15 114.50 0.1 . 1 . . . . . . . . 5077 1 895 . 1 1 94 94 LEU H H 1 8.59 0.01 . 1 . . . . . . . . 5077 1 896 . 1 1 94 94 LEU HA H 1 3.91 0.01 . 1 . . . . . . . . 5077 1 897 . 1 1 94 94 LEU HB2 H 1 1.26 0.01 . 2 . . . . . . . . 5077 1 898 . 1 1 94 94 LEU HB3 H 1 1.28 0.01 . 2 . . . . . . . . 5077 1 899 . 1 1 94 94 LEU HG H 1 0.25 0.01 . 1 . . . . . . . . 5077 1 900 . 1 1 94 94 LEU HD11 H 1 0.70 0.01 . 1 . . . . . . . . 5077 1 901 . 1 1 94 94 LEU HD12 H 1 0.70 0.01 . 1 . . . . . . . . 5077 1 902 . 1 1 94 94 LEU HD13 H 1 0.70 0.01 . 1 . . . . . . . . 5077 1 903 . 1 1 94 94 LEU HD21 H 1 0.70 0.01 . 1 . . . . . . . . 5077 1 904 . 1 1 94 94 LEU HD22 H 1 0.70 0.01 . 1 . . . . . . . . 5077 1 905 . 1 1 94 94 LEU HD23 H 1 0.70 0.01 . 1 . . . . . . . . 5077 1 906 . 1 1 94 94 LEU C C 13 175.40 0.1 . 1 . . . . . . . . 5077 1 907 . 1 1 94 94 LEU CA C 13 55.49 0.1 . 1 . . . . . . . . 5077 1 908 . 1 1 94 94 LEU CB C 13 42.09 0.1 . 1 . . . . . . . . 5077 1 909 . 1 1 94 94 LEU CG C 13 21.91 0.1 . 1 . . . . . . . . 5077 1 910 . 1 1 94 94 LEU CD1 C 13 24.72 0.1 . 1 . . . . . . . . 5077 1 911 . 1 1 94 94 LEU CD2 C 13 24.72 0.1 . 1 . . . . . . . . 5077 1 912 . 1 1 94 94 LEU N N 15 126.40 0.1 . 1 . . . . . . . . 5077 1 913 . 1 1 95 95 TYR H H 1 7.88 0.01 . 1 . . . . . . . . 5077 1 914 . 1 1 95 95 TYR HA H 1 5.15 0.01 . 1 . . . . . . . . 5077 1 915 . 1 1 95 95 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 5077 1 916 . 1 1 95 95 TYR HB3 H 1 3.14 0.01 . 2 . . . . . . . . 5077 1 917 . 1 1 95 95 TYR HD1 H 1 7.29 0.01 . 1 . . . . . . . . 5077 1 918 . 1 1 95 95 TYR HD2 H 1 7.29 0.01 . 1 . . . . . . . . 5077 1 919 . 1 1 95 95 TYR HE1 H 1 6.85 0.01 . 1 . . . . . . . . 5077 1 920 . 1 1 95 95 TYR HE2 H 1 6.85 0.01 . 1 . . . . . . . . 5077 1 921 . 1 1 95 95 TYR C C 13 175.40 0.1 . 1 . . . . . . . . 5077 1 922 . 1 1 95 95 TYR CA C 13 58.05 0.1 . 1 . . . . . . . . 5077 1 923 . 1 1 95 95 TYR CB C 13 39.26 0.1 . 1 . . . . . . . . 5077 1 924 . 1 1 95 95 TYR CD1 C 13 133.5 0.1 . 1 . . . . . . . . 5077 1 925 . 1 1 95 95 TYR CD2 C 13 133.5 0.1 . 1 . . . . . . . . 5077 1 926 . 1 1 95 95 TYR CE1 C 13 118.3 0.1 . 1 . . . . . . . . 5077 1 927 . 1 1 95 95 TYR CE2 C 13 118.3 0.1 . 1 . . . . . . . . 5077 1 928 . 1 1 95 95 TYR N N 15 119.20 0.1 . 1 . . . . . . . . 5077 1 929 . 1 1 96 96 VAL H H 1 8.82 0.01 . 1 . . . . . . . . 5077 1 930 . 1 1 96 96 VAL HA H 1 4.73 0.01 . 1 . . . . . . . . 5077 1 931 . 1 1 96 96 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 5077 1 932 . 1 1 96 96 VAL HG11 H 1 0.85 0.01 . 1 . . . . . . . . 5077 1 933 . 1 1 96 96 VAL HG12 H 1 0.85 0.01 . 1 . . . . . . . . 5077 1 934 . 1 1 96 96 VAL HG13 H 1 0.85 0.01 . 1 . . . . . . . . 5077 1 935 . 1 1 96 96 VAL HG21 H 1 0.85 0.01 . 1 . . . . . . . . 5077 1 936 . 1 1 96 96 VAL HG22 H 1 0.85 0.01 . 1 . . . . . . . . 5077 1 937 . 1 1 96 96 VAL HG23 H 1 0.85 0.01 . 1 . . . . . . . . 5077 1 938 . 1 1 96 96 VAL C C 13 174.40 0.1 . 1 . . . . . . . . 5077 1 939 . 1 1 96 96 VAL CA C 13 60.75 0.1 . 1 . . . . . . . . 5077 1 940 . 1 1 96 96 VAL CB C 13 36.20 0.1 . 1 . . . . . . . . 5077 1 941 . 1 1 96 96 VAL CG1 C 13 22.28 0.1 . 1 . . . . . . . . 5077 1 942 . 1 1 96 96 VAL CG2 C 13 22.28 0.1 . 1 . . . . . . . . 5077 1 943 . 1 1 96 96 VAL N N 15 126.10 0.1 . 1 . . . . . . . . 5077 1 944 . 1 1 97 97 ASP H H 1 8.90 0.01 . 1 . . . . . . . . 5077 1 945 . 1 1 97 97 ASP HA H 1 5.39 0.01 . 1 . . . . . . . . 5077 1 946 . 1 1 97 97 ASP HB2 H 1 2.50 0.01 . 2 . . . . . . . . 5077 1 947 . 1 1 97 97 ASP HB3 H 1 2.68 0.01 . 2 . . . . . . . . 5077 1 948 . 1 1 97 97 ASP C C 13 175.40 0.1 . 1 . . . . . . . . 5077 1 949 . 1 1 97 97 ASP CA C 13 53.59 0.1 . 1 . . . . . . . . 5077 1 950 . 1 1 97 97 ASP CB C 13 43.09 0.1 . 1 . . . . . . . . 5077 1 951 . 1 1 97 97 ASP N N 15 126.60 0.1 . 1 . . . . . . . . 5077 1 952 . 1 1 98 98 LEU H H 1 9.07 0.01 . 1 . . . . . . . . 5077 1 953 . 1 1 98 98 LEU HA H 1 5.37 0.01 . 1 . . . . . . . . 5077 1 954 . 1 1 98 98 LEU HB2 H 1 1.34 0.01 . 2 . . . . . . . . 5077 1 955 . 1 1 98 98 LEU HB3 H 1 1.71 0.01 . 2 . . . . . . . . 5077 1 956 . 1 1 98 98 LEU HG H 1 1.49 0.01 . 1 . . . . . . . . 5077 1 957 . 1 1 98 98 LEU HD11 H 1 0.78 0.01 . 1 . . . . . . . . 5077 1 958 . 1 1 98 98 LEU HD12 H 1 0.78 0.01 . 1 . . . . . . . . 5077 1 959 . 1 1 98 98 LEU HD13 H 1 0.78 0.01 . 1 . . . . . . . . 5077 1 960 . 1 1 98 98 LEU HD21 H 1 0.78 0.01 . 1 . . . . . . . . 5077 1 961 . 1 1 98 98 LEU HD22 H 1 0.78 0.01 . 1 . . . . . . . . 5077 1 962 . 1 1 98 98 LEU HD23 H 1 0.78 0.01 . 1 . . . . . . . . 5077 1 963 . 1 1 98 98 LEU C C 13 175.50 0.1 . 1 . . . . . . . . 5077 1 964 . 1 1 98 98 LEU CA C 13 53.08 0.1 . 1 . . . . . . . . 5077 1 965 . 1 1 98 98 LEU CB C 13 46.90 0.1 . 1 . . . . . . . . 5077 1 966 . 1 1 98 98 LEU CG C 13 26.53 0.1 . 1 . . . . . . . . 5077 1 967 . 1 1 98 98 LEU CD1 C 13 24.41 0.1 . 1 . . . . . . . . 5077 1 968 . 1 1 98 98 LEU CD2 C 13 24.41 0.1 . 1 . . . . . . . . 5077 1 969 . 1 1 98 98 LEU N N 15 121.90 0.1 . 1 . . . . . . . . 5077 1 970 . 1 1 99 99 ARG H H 1 8.70 0.01 . 1 . . . . . . . . 5077 1 971 . 1 1 99 99 ARG HA H 1 5.19 0.01 . 1 . . . . . . . . 5077 1 972 . 1 1 99 99 ARG HB2 H 1 1.65 0.01 . 2 . . . . . . . . 5077 1 973 . 1 1 99 99 ARG HB3 H 1 1.92 0.01 . 2 . . . . . . . . 5077 1 974 . 1 1 99 99 ARG HG2 H 1 1.71 0.01 . 1 . . . . . . . . 5077 1 975 . 1 1 99 99 ARG HG3 H 1 1.71 0.01 . 1 . . . . . . . . 5077 1 976 . 1 1 99 99 ARG HD2 H 1 3.32 0.01 . 1 . . . . . . . . 5077 1 977 . 1 1 99 99 ARG HD3 H 1 3.32 0.01 . 1 . . . . . . . . 5077 1 978 . 1 1 99 99 ARG C C 13 176.20 0.1 . 1 . . . . . . . . 5077 1 979 . 1 1 99 99 ARG CA C 13 53.55 0.1 . 1 . . . . . . . . 5077 1 980 . 1 1 99 99 ARG CB C 13 34.08 0.1 . 1 . . . . . . . . 5077 1 981 . 1 1 99 99 ARG CG C 13 28.25 0.1 . 1 . . . . . . . . 5077 1 982 . 1 1 99 99 ARG CD C 13 43.19 0.1 . 1 . . . . . . . . 5077 1 983 . 1 1 99 99 ARG N N 15 117.90 0.1 . 1 . . . . . . . . 5077 1 984 . 1 1 100 100 ARG H H 1 10.14 0.01 . 1 . . . . . . . . 5077 1 985 . 1 1 100 100 ARG HA H 1 4.11 0.01 . 1 . . . . . . . . 5077 1 986 . 1 1 100 100 ARG HB2 H 1 1.63 0.01 . 2 . . . . . . . . 5077 1 987 . 1 1 100 100 ARG HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5077 1 988 . 1 1 100 100 ARG HG2 H 1 1.19 0.01 . 1 . . . . . . . . 5077 1 989 . 1 1 100 100 ARG HG3 H 1 1.19 0.01 . 1 . . . . . . . . 5077 1 990 . 1 1 100 100 ARG HD2 H 1 2.98 0.01 . 1 . . . . . . . . 5077 1 991 . 1 1 100 100 ARG HD3 H 1 2.98 0.01 . 1 . . . . . . . . 5077 1 992 . 1 1 100 100 ARG C C 13 174.80 0.1 . 1 . . . . . . . . 5077 1 993 . 1 1 100 100 ARG CA C 13 58.46 0.1 . 1 . . . . . . . . 5077 1 994 . 1 1 100 100 ARG CB C 13 30.20 0.1 . 1 . . . . . . . . 5077 1 995 . 1 1 100 100 ARG CG C 13 27.79 0.1 . 1 . . . . . . . . 5077 1 996 . 1 1 100 100 ARG CD C 13 43.83 0.1 . 1 . . . . . . . . 5077 1 997 . 1 1 100 100 ARG N N 15 124.10 0.1 . 1 . . . . . . . . 5077 1 998 . 1 1 101 101 PHE H H 1 8.20 0.01 . 1 . . . . . . . . 5077 1 999 . 1 1 101 101 PHE HA H 1 4.57 0.01 . 1 . . . . . . . . 5077 1 1000 . 1 1 101 101 PHE HB2 H 1 2.60 0.01 . 2 . . . . . . . . 5077 1 1001 . 1 1 101 101 PHE HB3 H 1 2.70 0.01 . 2 . . . . . . . . 5077 1 1002 . 1 1 101 101 PHE HD1 H 1 7.36 0.01 . 1 . . . . . . . . 5077 1 1003 . 1 1 101 101 PHE HD2 H 1 7.36 0.01 . 1 . . . . . . . . 5077 1 1004 . 1 1 101 101 PHE HE1 H 1 7.05 0.01 . 1 . . . . . . . . 5077 1 1005 . 1 1 101 101 PHE HE2 H 1 7.05 0.01 . 1 . . . . . . . . 5077 1 1006 . 1 1 101 101 PHE C C 13 172.90 0.1 . 1 . . . . . . . . 5077 1 1007 . 1 1 101 101 PHE CA C 13 57.22 0.1 . 1 . . . . . . . . 5077 1 1008 . 1 1 101 101 PHE CB C 13 40.85 0.1 . 1 . . . . . . . . 5077 1 1009 . 1 1 101 101 PHE CD1 C 13 131.68 0.1 . 1 . . . . . . . . 5077 1 1010 . 1 1 101 101 PHE CD2 C 13 131.68 0.1 . 1 . . . . . . . . 5077 1 1011 . 1 1 101 101 PHE CE1 C 13 131.68 0.1 . 1 . . . . . . . . 5077 1 1012 . 1 1 101 101 PHE CE2 C 13 131.68 0.1 . 1 . . . . . . . . 5077 1 1013 . 1 1 101 101 PHE N N 15 125.60 0.1 . 1 . . . . . . . . 5077 1 1014 . 1 1 102 102 PHE H H 1 7.42 0.01 . 1 . . . . . . . . 5077 1 1015 . 1 1 102 102 PHE HA H 1 4.23 0.01 . 1 . . . . . . . . 5077 1 1016 . 1 1 102 102 PHE HB2 H 1 2.75 0.01 . 2 . . . . . . . . 5077 1 1017 . 1 1 102 102 PHE HB3 H 1 3.05 0.01 . 2 . . . . . . . . 5077 1 1018 . 1 1 102 102 PHE CA C 13 59.68 0.1 . 1 . . . . . . . . 5077 1 1019 . 1 1 102 102 PHE CB C 13 40.96 0.1 . 1 . . . . . . . . 5077 1 1020 . 1 1 102 102 PHE N N 15 129.90 0.1 . 1 . . . . . . . . 5077 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 16 5077 1 1 15 5077 1 1 14 5077 1 1 13 5077 1 1 12 5077 1 1 11 5077 1 1 10 5077 1 2 149 5077 1 2 148 5077 1 2 147 5077 1 2 146 5077 1 stop_ save_