data_4147 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4147 _Entry.Title ; Resonance Assignment and Secondary Structure of the Cold Shock Domain of the Human YB-1 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-06-04 _Entry.Accession_date 1998-06-04 _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 ; The data reported here represent the single stranded DNA binding cold shock domain fragment (methionine plus residues 52-129) of the human Y box protein YB1 ; _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 Cathelijne Kloks . P.A.M. . 4147 2 Astrid Hoffmann . . . 4147 3 James Omichinski . G. . 4147 4 Geerten Vuister . W. . 4147 5 Cornelis Hilbers . W. . 4147 6 Stephan Grzesiek . . . 4147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4147 coupling_constants 1 4147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 4147 '15N chemical shifts' 71 4147 '1H chemical shifts' 447 4147 'coupling constants' 70 4147 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 . . 1999-02-07 . update author 'new chemical shifts added to the file' 4147 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4147 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99052121 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Kloks, C.P.A.M., Hoffmann, A., Omichinski, J. G., Vuister, G. W., Hilbers, C. W., Grzesiek, S., "Resonance Assignment and Secondary Structure of the Cold Shock Domain of the Human YB-1 Protein," J. Biomol. NMR. 12, 463-464 (1998). ; _Citation.Title ; Resonance Assignment and Secondary Structure of the Cold Shock Domain of the Human YB-1 Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 12 _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 463 _Citation.Page_last 464 _Citation.Year 1998 _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 Cathelijne Kloks . P.A.M. . 4147 1 2 Astrid Hoffmann . . . 4147 1 3 James Omichinski . G. . 4147 1 4 Geerten Vuister . W. . 4147 1 5 Cornelis Hilbers . W. . 4147 1 6 Stephan Grzesiek . . . 4147 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cold shock domain' 4147 1 'NMR assignments' 4147 1 'OB fold' 4147 1 'Y-box protein' 4147 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4147 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Bax, A. and Subramanian, S. J. Magn. Reson., 67, 565-570 (1986).' _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YB1-CSD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YB1-CSD _Assembly.Entry_ID 4147 _Assembly.ID 1 _Assembly.Name 'Cold Shock domain' _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 . _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 4147 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 YB1-CSD 1 $YB1-CSD . . . native . . . . . 4147 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Cold Shock domain' system 4147 1 YB1-CSD abbreviation 4147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YB1-CSD _Entity.Sf_category entity _Entity.Sf_framecode YB1-CSD _Entity.Entry_ID 4147 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cold Shock domain' _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 ; MKKVIATKVLGTVKWFNVRN GYGFINRNDTKEDVFVHQTA IKKNNPRKYLRSVGDGETVE FDVVEGEKGAEAANVTGPG ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17225 . CSD . . . . . 100.00 79 100.00 100.00 2.42e-48 . . . . 4147 1 2 no PDB 1H95 . "Solution Structure Of The Single-Stranded Dna-Binding Cold Shock Domain (Csd) Of Human Y-Box Protein 1 (Yb1) Determined By Nmr " . . . . . 100.00 79 100.00 100.00 2.42e-48 . . . . 4147 1 3 no DBJ BAA02569 . "DNA binding protein B [Rattus sp.]" . . . . . 98.73 322 100.00 100.00 4.99e-47 . . . . 4147 1 4 no DBJ BAA03376 . "dbpA murine homologue [Mus musculus domesticus]" . . . . . 97.47 308 98.70 100.00 9.60e-43 . . . . 4147 1 5 no DBJ BAA05380 . "unnamed protein product [Gallus gallus]" . . . . . 98.73 326 100.00 100.00 7.61e-47 . . . . 4147 1 6 no DBJ BAA19849 . "Y box protein 1 [Carassius auratus]" . . . . . 98.73 311 100.00 100.00 6.58e-47 . . . . 4147 1 7 no DBJ BAC45236 . "Y-box binding protein [Oryzias latipes]" . . . . . 98.73 306 100.00 100.00 7.97e-47 . . . . 4147 1 8 no EMBL CAA40847 . "Y box-binbing protein [Mus musculus]" . . . . . 98.73 321 100.00 100.00 4.33e-47 . . . . 4147 1 9 no EMBL CAA42778 . "YB3 [Xenopus laevis]" . . . . . 98.73 305 100.00 100.00 7.30e-47 . . . . 4147 1 10 no EMBL CAA51261 . "cold shock domain protein A [Homo sapiens]" . . . . . 97.47 372 98.70 100.00 6.11e-46 . . . . 4147 1 11 no EMBL CAA64631 . "DNA-binding protein [Homo sapiens]" . . . . . 97.47 372 98.70 100.00 6.11e-46 . . . . 4147 1 12 no EMBL CAB46826 . "DNA binding protein [Canis lupus familiaris]" . . . . . 78.48 96 98.39 100.00 1.31e-34 . . . . 4147 1 13 no GB AAA02573 . "YB-1 protein [Gallus gallus]" . . . . . 98.73 321 100.00 100.00 5.72e-47 . . . . 4147 1 14 no GB AAA20871 . "similar to dbpB protein [Homo sapiens]" . . . . . 98.73 324 100.00 100.00 5.63e-47 . . . . 4147 1 15 no GB AAA21677 . "transcription factor EF1(A) [Bos taurus]" . . . . . 72.15 110 100.00 100.00 6.23e-33 . . . . 4147 1 16 no GB AAA30497 . "transcription factor EF1(A) [Bos taurus]" . . . . . 98.73 324 100.00 100.00 5.63e-47 . . . . 4147 1 17 no GB AAA35749 . "DNA-binding protein A, partial [Homo sapiens]" . . . . . 97.47 412 98.70 100.00 1.26e-42 . . . . 4147 1 18 no PRF 2210343A . "nicotinic acetylcholine receptor repressor" . . . . . 97.47 361 98.70 100.00 7.54e-46 . . . . 4147 1 19 no REF NP_001003127 . "Y-box-binding protein 3 [Canis lupus familiaris]" . . . . . 97.47 304 97.40 98.70 4.73e-46 . . . . 4147 1 20 no REF NP_001016677 . "nuclease-sensitive element-binding protein 1 [Xenopus (Silurana) tropicalis]" . . . . . 98.73 306 100.00 100.00 8.23e-47 . . . . 4147 1 21 no REF NP_001076254 . "nuclease-sensitive element-binding protein 1 [Oryctolagus cuniculus]" . . . . . 98.73 324 100.00 100.00 5.39e-47 . . . . 4147 1 22 no REF NP_001079367 . "nuclease-sensitive element-binding protein 1 [Xenopus laevis]" . . . . . 97.47 303 100.00 100.00 3.21e-46 . . . . 4147 1 23 no REF NP_001080330 . "B box-binding protein [Xenopus laevis]" . . . . . 98.73 305 100.00 100.00 7.30e-47 . . . . 4147 1 24 no SP P16989 . "RecName: Full=Y-box-binding protein 3; AltName: Full=Cold shock domain-containing protein A; AltName: Full=DNA-binding protein " . . . . . 97.47 372 98.70 100.00 6.11e-46 . . . . 4147 1 25 no SP P21573 . "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=Y-box transcription factor; AltName: Full=Y-box-bindi" . . . . . 97.47 303 100.00 100.00 3.01e-46 . . . . 4147 1 26 no SP P62960 . "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" . . . . . 98.73 322 100.00 100.00 4.99e-47 . . . . 4147 1 27 no SP P62961 . "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" . . . . . 98.73 322 100.00 100.00 4.99e-47 . . . . 4147 1 28 no SP P67808 . "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" . . . . . 98.73 324 100.00 100.00 5.63e-47 . . . . 4147 1 29 no TPG DAA29365 . "TPA: cold shock domain protein A [Bos taurus]" . . . . . 97.47 376 98.70 100.00 1.35e-42 . . . . 4147 1 30 no TPG DAA30957 . "TPA: nuclease-sensitive element-binding protein 1 [Bos taurus]" . . . . . 98.73 324 100.00 100.00 5.63e-47 . . . . 4147 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cold Shock domain' common 4147 1 YB1-CSD abbreviation 4147 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 . 4147 1 2 . LYS . 4147 1 3 . LYS . 4147 1 4 . VAL . 4147 1 5 . ILE . 4147 1 6 . ALA . 4147 1 7 . THR . 4147 1 8 . LYS . 4147 1 9 . VAL . 4147 1 10 . LEU . 4147 1 11 . GLY . 4147 1 12 . THR . 4147 1 13 . VAL . 4147 1 14 . LYS . 4147 1 15 . TRP . 4147 1 16 . PHE . 4147 1 17 . ASN . 4147 1 18 . VAL . 4147 1 19 . ARG . 4147 1 20 . ASN . 4147 1 21 . GLY . 4147 1 22 . TYR . 4147 1 23 . GLY . 4147 1 24 . PHE . 4147 1 25 . ILE . 4147 1 26 . ASN . 4147 1 27 . ARG . 4147 1 28 . ASN . 4147 1 29 . ASP . 4147 1 30 . THR . 4147 1 31 . LYS . 4147 1 32 . GLU . 4147 1 33 . ASP . 4147 1 34 . VAL . 4147 1 35 . PHE . 4147 1 36 . VAL . 4147 1 37 . HIS . 4147 1 38 . GLN . 4147 1 39 . THR . 4147 1 40 . ALA . 4147 1 41 . ILE . 4147 1 42 . LYS . 4147 1 43 . LYS . 4147 1 44 . ASN . 4147 1 45 . ASN . 4147 1 46 . PRO . 4147 1 47 . ARG . 4147 1 48 . LYS . 4147 1 49 . TYR . 4147 1 50 . LEU . 4147 1 51 . ARG . 4147 1 52 . SER . 4147 1 53 . VAL . 4147 1 54 . GLY . 4147 1 55 . ASP . 4147 1 56 . GLY . 4147 1 57 . GLU . 4147 1 58 . THR . 4147 1 59 . VAL . 4147 1 60 . GLU . 4147 1 61 . PHE . 4147 1 62 . ASP . 4147 1 63 . VAL . 4147 1 64 . VAL . 4147 1 65 . GLU . 4147 1 66 . GLY . 4147 1 67 . GLU . 4147 1 68 . LYS . 4147 1 69 . GLY . 4147 1 70 . ALA . 4147 1 71 . GLU . 4147 1 72 . ALA . 4147 1 73 . ALA . 4147 1 74 . ASN . 4147 1 75 . VAL . 4147 1 76 . THR . 4147 1 77 . GLY . 4147 1 78 . PRO . 4147 1 79 . GLY . 4147 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 4147 1 . LYS 2 2 4147 1 . LYS 3 3 4147 1 . VAL 4 4 4147 1 . ILE 5 5 4147 1 . ALA 6 6 4147 1 . THR 7 7 4147 1 . LYS 8 8 4147 1 . VAL 9 9 4147 1 . LEU 10 10 4147 1 . GLY 11 11 4147 1 . THR 12 12 4147 1 . VAL 13 13 4147 1 . LYS 14 14 4147 1 . TRP 15 15 4147 1 . PHE 16 16 4147 1 . ASN 17 17 4147 1 . VAL 18 18 4147 1 . ARG 19 19 4147 1 . ASN 20 20 4147 1 . GLY 21 21 4147 1 . TYR 22 22 4147 1 . GLY 23 23 4147 1 . PHE 24 24 4147 1 . ILE 25 25 4147 1 . ASN 26 26 4147 1 . ARG 27 27 4147 1 . ASN 28 28 4147 1 . ASP 29 29 4147 1 . THR 30 30 4147 1 . LYS 31 31 4147 1 . GLU 32 32 4147 1 . ASP 33 33 4147 1 . VAL 34 34 4147 1 . PHE 35 35 4147 1 . VAL 36 36 4147 1 . HIS 37 37 4147 1 . GLN 38 38 4147 1 . THR 39 39 4147 1 . ALA 40 40 4147 1 . ILE 41 41 4147 1 . LYS 42 42 4147 1 . LYS 43 43 4147 1 . ASN 44 44 4147 1 . ASN 45 45 4147 1 . PRO 46 46 4147 1 . ARG 47 47 4147 1 . LYS 48 48 4147 1 . TYR 49 49 4147 1 . LEU 50 50 4147 1 . ARG 51 51 4147 1 . SER 52 52 4147 1 . VAL 53 53 4147 1 . GLY 54 54 4147 1 . ASP 55 55 4147 1 . GLY 56 56 4147 1 . GLU 57 57 4147 1 . THR 58 58 4147 1 . VAL 59 59 4147 1 . GLU 60 60 4147 1 . PHE 61 61 4147 1 . ASP 62 62 4147 1 . VAL 63 63 4147 1 . VAL 64 64 4147 1 . GLU 65 65 4147 1 . GLY 66 66 4147 1 . GLU 67 67 4147 1 . LYS 68 68 4147 1 . GLY 69 69 4147 1 . ALA 70 70 4147 1 . GLU 71 71 4147 1 . ALA 72 72 4147 1 . ALA 73 73 4147 1 . ASN 74 74 4147 1 . VAL 75 75 4147 1 . THR 76 76 4147 1 . GLY 77 77 4147 1 . PRO 78 78 4147 1 . GLY 79 79 4147 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 4147 _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 $YB1-CSD . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4147 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 4147 _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 $YB1-CSD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET11a . . . . . . 4147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4147 _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 'Cold Shock domain' [U-15N] . . 1 $YB1-CSD . . 1.5 . . mM . . . . 4147 1 2 H2O . . . . . . . 90 . . % . . . . 4147 1 3 D2O . . . . . . . 10 . . % . . . . 4147 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4147 _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 'Cold Shock domain' [U-15N;U-13C] . . 1 $YB1-CSD . . 1.5 . . mM . . . . 4147 2 2 H2O . . . . . . . 90 . . % . . . . 4147 2 3 D2O . . . . . . . 10 . . % . . . . 4147 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4147 _Sample.ID 3 _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 'Cold Shock domain' [U-15N;U-13C] . . 1 $YB1-CSD . . 1.5 . . mM . . . . 4147 3 2 D2O . . . . . . . 100 . . % . . . . 4147 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4147 _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 6.7 . n/a 4147 1 temperature 303 . K 4147 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4147 _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_one Bruker DRX . 600 . . . 4147 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 4147 _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 . . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4147 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4147 _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 C 13 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.25144954 . . . 2 $citation_one . . . . 4147 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 . direct . . . . . . . . . . 4147 1 N 15 'liquid NH3' . . . . . ppm 0.00 . indirect . . . . . . . . . . 4147 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4147 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4147 1 . . 2 $sample_two . 4147 1 . . 3 $sample_three . 4147 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS HA H 1 4.456 . . 1 . . . . . . . . 4147 1 2 . 1 1 2 2 LYS HB2 H 1 1.638 . . 2 . . . . . . . . 4147 1 3 . 1 1 2 2 LYS HB3 H 1 1.747 . . 2 . . . . . . . . 4147 1 4 . 1 1 2 2 LYS HG2 H 1 1.436 . . 2 . . . . . . . . 4147 1 5 . 1 1 2 2 LYS HD2 H 1 1.434 . . 1 . . . . . . . . 4147 1 6 . 1 1 2 2 LYS HD3 H 1 1.434 . . 1 . . . . . . . . 4147 1 7 . 1 1 2 2 LYS HE2 H 1 2.980 . . 1 . . . . . . . . 4147 1 8 . 1 1 2 2 LYS HE3 H 1 2.980 . . 1 . . . . . . . . 4147 1 9 . 1 1 2 2 LYS CA C 13 56.293 . . 1 . . . . . . . . 4147 1 10 . 1 1 2 2 LYS CB C 13 33.425 . . 1 . . . . . . . . 4147 1 11 . 1 1 2 2 LYS CG C 13 25.556 . . 1 . . . . . . . . 4147 1 12 . 1 1 2 2 LYS CD C 13 29.404 . . 1 . . . . . . . . 4147 1 13 . 1 1 2 2 LYS CE C 13 42.327 . . 1 . . . . . . . . 4147 1 14 . 1 1 3 3 LYS H H 1 8.552 . . 1 . . . . . . . . 4147 1 15 . 1 1 3 3 LYS HA H 1 4.214 . . 1 . . . . . . . . 4147 1 16 . 1 1 3 3 LYS HB2 H 1 1.771 . . 2 . . . . . . . . 4147 1 17 . 1 1 3 3 LYS HB3 H 1 1.668 . . 2 . . . . . . . . 4147 1 18 . 1 1 3 3 LYS HG2 H 1 1.280 . . 1 . . . . . . . . 4147 1 19 . 1 1 3 3 LYS HG3 H 1 1.280 . . 1 . . . . . . . . 4147 1 20 . 1 1 3 3 LYS HD2 H 1 1.416 . . 1 . . . . . . . . 4147 1 21 . 1 1 3 3 LYS HD3 H 1 1.416 . . 1 . . . . . . . . 4147 1 22 . 1 1 3 3 LYS HE2 H 1 2.946 . . 1 . . . . . . . . 4147 1 23 . 1 1 3 3 LYS HE3 H 1 2.946 . . 1 . . . . . . . . 4147 1 24 . 1 1 3 3 LYS C C 13 175.500 . . 1 . . . . . . . . 4147 1 25 . 1 1 3 3 LYS CA C 13 56.476 . . 1 . . . . . . . . 4147 1 26 . 1 1 3 3 LYS CB C 13 33.738 . . 1 . . . . . . . . 4147 1 27 . 1 1 3 3 LYS CG C 13 24.808 . . 1 . . . . . . . . 4147 1 28 . 1 1 3 3 LYS CD C 13 29.387 . . 1 . . . . . . . . 4147 1 29 . 1 1 3 3 LYS CE C 13 42.074 . . 1 . . . . . . . . 4147 1 30 . 1 1 3 3 LYS N N 15 123.660 . . 1 . . . . . . . . 4147 1 31 . 1 1 4 4 VAL H H 1 8.494 . . 1 . . . . . . . . 4147 1 32 . 1 1 4 4 VAL HA H 1 4.095 . . 1 . . . . . . . . 4147 1 33 . 1 1 4 4 VAL HB H 1 1.966 . . 1 . . . . . . . . 4147 1 34 . 1 1 4 4 VAL HG11 H 1 0.961 . . 2 . . . . . . . . 4147 1 35 . 1 1 4 4 VAL HG12 H 1 0.961 . . 2 . . . . . . . . 4147 1 36 . 1 1 4 4 VAL HG13 H 1 0.961 . . 2 . . . . . . . . 4147 1 37 . 1 1 4 4 VAL HG21 H 1 0.805 . . 2 . . . . . . . . 4147 1 38 . 1 1 4 4 VAL HG22 H 1 0.805 . . 2 . . . . . . . . 4147 1 39 . 1 1 4 4 VAL HG23 H 1 0.805 . . 2 . . . . . . . . 4147 1 40 . 1 1 4 4 VAL C C 13 176.594 . . 1 . . . . . . . . 4147 1 41 . 1 1 4 4 VAL CA C 13 63.541 . . 1 . . . . . . . . 4147 1 42 . 1 1 4 4 VAL CB C 13 32.182 . . 1 . . . . . . . . 4147 1 43 . 1 1 4 4 VAL CG1 C 13 21.633 . . 1 . . . . . . . . 4147 1 44 . 1 1 4 4 VAL CG2 C 13 21.633 . . 1 . . . . . . . . 4147 1 45 . 1 1 4 4 VAL N N 15 125.173 . . 1 . . . . . . . . 4147 1 46 . 1 1 5 5 ILE H H 1 9.200 . . 1 . . . . . . . . 4147 1 47 . 1 1 5 5 ILE HA H 1 4.148 . . 1 . . . . . . . . 4147 1 48 . 1 1 5 5 ILE HB H 1 1.689 . . 1 . . . . . . . . 4147 1 49 . 1 1 5 5 ILE HG21 H 1 0.913 . . 1 . . . . . . . . 4147 1 50 . 1 1 5 5 ILE HG22 H 1 0.913 . . 1 . . . . . . . . 4147 1 51 . 1 1 5 5 ILE HG23 H 1 0.913 . . 1 . . . . . . . . 4147 1 52 . 1 1 5 5 ILE HG12 H 1 1.428 . . 2 . . . . . . . . 4147 1 53 . 1 1 5 5 ILE HG13 H 1 1.065 . . 2 . . . . . . . . 4147 1 54 . 1 1 5 5 ILE HD11 H 1 0.807 . . 1 . . . . . . . . 4147 1 55 . 1 1 5 5 ILE HD12 H 1 0.807 . . 1 . . . . . . . . 4147 1 56 . 1 1 5 5 ILE HD13 H 1 0.807 . . 1 . . . . . . . . 4147 1 57 . 1 1 5 5 ILE C C 13 176.190 . . 1 . . . . . . . . 4147 1 58 . 1 1 5 5 ILE CA C 13 62.275 . . 1 . . . . . . . . 4147 1 59 . 1 1 5 5 ILE CB C 13 39.198 . . 1 . . . . . . . . 4147 1 60 . 1 1 5 5 ILE CG1 C 13 27.717 . . 1 . . . . . . . . 4147 1 61 . 1 1 5 5 ILE CG2 C 13 17.307 . . 1 . . . . . . . . 4147 1 62 . 1 1 5 5 ILE CD1 C 13 13.031 . . 1 . . . . . . . . 4147 1 63 . 1 1 5 5 ILE N N 15 127.418 . . 1 . . . . . . . . 4147 1 64 . 1 1 6 6 ALA H H 1 8.103 . . 1 . . . . . . . . 4147 1 65 . 1 1 6 6 ALA HA H 1 4.607 . . 1 . . . . . . . . 4147 1 66 . 1 1 6 6 ALA HB1 H 1 1.277 . . 1 . . . . . . . . 4147 1 67 . 1 1 6 6 ALA HB2 H 1 1.277 . . 1 . . . . . . . . 4147 1 68 . 1 1 6 6 ALA HB3 H 1 1.277 . . 1 . . . . . . . . 4147 1 69 . 1 1 6 6 ALA C C 13 175.294 . . 1 . . . . . . . . 4147 1 70 . 1 1 6 6 ALA CA C 13 52.278 . . 1 . . . . . . . . 4147 1 71 . 1 1 6 6 ALA CB C 13 22.299 . . 1 . . . . . . . . 4147 1 72 . 1 1 6 6 ALA N N 15 121.884 . . 1 . . . . . . . . 4147 1 73 . 1 1 7 7 THR H H 1 8.312 . . 1 . . . . . . . . 4147 1 74 . 1 1 7 7 THR HA H 1 5.004 . . 1 . . . . . . . . 4147 1 75 . 1 1 7 7 THR HB H 1 3.977 . . 1 . . . . . . . . 4147 1 76 . 1 1 7 7 THR HG21 H 1 1.056 . . 1 . . . . . . . . 4147 1 77 . 1 1 7 7 THR HG22 H 1 1.056 . . 1 . . . . . . . . 4147 1 78 . 1 1 7 7 THR HG23 H 1 1.056 . . 1 . . . . . . . . 4147 1 79 . 1 1 7 7 THR C C 13 173.193 . . 1 . . . . . . . . 4147 1 80 . 1 1 7 7 THR CA C 13 59.106 . . 1 . . . . . . . . 4147 1 81 . 1 1 7 7 THR CB C 13 71.703 . . 1 . . . . . . . . 4147 1 82 . 1 1 7 7 THR CG2 C 13 21.793 . . 1 . . . . . . . . 4147 1 83 . 1 1 7 7 THR N N 15 112.374 . . 1 . . . . . . . . 4147 1 84 . 1 1 8 8 LYS H H 1 8.817 . . 1 . . . . . . . . 4147 1 85 . 1 1 8 8 LYS HA H 1 3.444 . . 1 . . . . . . . . 4147 1 86 . 1 1 8 8 LYS HB2 H 1 1.672 . . 2 . . . . . . . . 4147 1 87 . 1 1 8 8 LYS HB3 H 1 1.918 . . 2 . . . . . . . . 4147 1 88 . 1 1 8 8 LYS HG2 H 1 1.333 . . 1 . . . . . . . . 4147 1 89 . 1 1 8 8 LYS HG3 H 1 1.333 . . 1 . . . . . . . . 4147 1 90 . 1 1 8 8 LYS HD2 H 1 1.629 . . 1 . . . . . . . . 4147 1 91 . 1 1 8 8 LYS HD3 H 1 1.629 . . 1 . . . . . . . . 4147 1 92 . 1 1 8 8 LYS HE2 H 1 2.991 . . 1 . . . . . . . . 4147 1 93 . 1 1 8 8 LYS HE3 H 1 2.991 . . 1 . . . . . . . . 4147 1 94 . 1 1 8 8 LYS C C 13 174.805 . . 1 . . . . . . . . 4147 1 95 . 1 1 8 8 LYS CA C 13 57.352 . . 1 . . . . . . . . 4147 1 96 . 1 1 8 8 LYS CB C 13 30.349 . . 1 . . . . . . . . 4147 1 97 . 1 1 8 8 LYS CG C 13 25.533 . . 1 . . . . . . . . 4147 1 98 . 1 1 8 8 LYS CD C 13 29.277 . . 1 . . . . . . . . 4147 1 99 . 1 1 8 8 LYS CE C 13 42.232 . . 1 . . . . . . . . 4147 1 100 . 1 1 8 8 LYS N N 15 122.874 . . 1 . . . . . . . . 4147 1 101 . 1 1 9 9 VAL H H 1 8.855 . . 1 . . . . . . . . 4147 1 102 . 1 1 9 9 VAL HA H 1 3.858 . . 1 . . . . . . . . 4147 1 103 . 1 1 9 9 VAL HB H 1 1.086 . . 1 . . . . . . . . 4147 1 104 . 1 1 9 9 VAL HG11 H 1 0.750 . . 2 . . . . . . . . 4147 1 105 . 1 1 9 9 VAL HG12 H 1 0.750 . . 2 . . . . . . . . 4147 1 106 . 1 1 9 9 VAL HG13 H 1 0.750 . . 2 . . . . . . . . 4147 1 107 . 1 1 9 9 VAL HG21 H 1 0.415 . . 2 . . . . . . . . 4147 1 108 . 1 1 9 9 VAL HG22 H 1 0.415 . . 2 . . . . . . . . 4147 1 109 . 1 1 9 9 VAL HG23 H 1 0.415 . . 2 . . . . . . . . 4147 1 110 . 1 1 9 9 VAL C C 13 174.416 . . 1 . . . . . . . . 4147 1 111 . 1 1 9 9 VAL CA C 13 61.365 . . 1 . . . . . . . . 4147 1 112 . 1 1 9 9 VAL CB C 13 32.476 . . 1 . . . . . . . . 4147 1 113 . 1 1 9 9 VAL CG1 C 13 22.852 . . 2 . . . . . . . . 4147 1 114 . 1 1 9 9 VAL CG2 C 13 22.14 . . 2 . . . . . . . . 4147 1 115 . 1 1 9 9 VAL N N 15 121.532 . . 1 . . . . . . . . 4147 1 116 . 1 1 10 10 LEU H H 1 7.700 . . 1 . . . . . . . . 4147 1 117 . 1 1 10 10 LEU HA H 1 5.458 . . 1 . . . . . . . . 4147 1 118 . 1 1 10 10 LEU HB2 H 1 1.419 . . 2 . . . . . . . . 4147 1 119 . 1 1 10 10 LEU HB3 H 1 1.742 . . 2 . . . . . . . . 4147 1 120 . 1 1 10 10 LEU HG H 1 1.426 . . 1 . . . . . . . . 4147 1 121 . 1 1 10 10 LEU HD11 H 1 0.931 . . 2 . . . . . . . . 4147 1 122 . 1 1 10 10 LEU HD12 H 1 0.931 . . 2 . . . . . . . . 4147 1 123 . 1 1 10 10 LEU HD13 H 1 0.931 . . 2 . . . . . . . . 4147 1 124 . 1 1 10 10 LEU HD21 H 1 0.883 . . 2 . . . . . . . . 4147 1 125 . 1 1 10 10 LEU HD22 H 1 0.883 . . 2 . . . . . . . . 4147 1 126 . 1 1 10 10 LEU HD23 H 1 0.883 . . 2 . . . . . . . . 4147 1 127 . 1 1 10 10 LEU C C 13 178.396 . . 1 . . . . . . . . 4147 1 128 . 1 1 10 10 LEU CA C 13 53.037 . . 1 . . . . . . . . 4147 1 129 . 1 1 10 10 LEU CB C 13 44.363 . . 1 . . . . . . . . 4147 1 130 . 1 1 10 10 LEU CG C 13 27.377 . . 4 . . . . . . . . 4147 1 131 . 1 1 10 10 LEU CD1 C 13 25.19 . . 2 . . . . . . . . 4147 1 132 . 1 1 10 10 LEU CD2 C 13 23.95 . . 2 . . . . . . . . 4147 1 133 . 1 1 10 10 LEU N N 15 122.006 . . 1 . . . . . . . . 4147 1 134 . 1 1 11 11 GLY H H 1 9.191 . . 1 . . . . . . . . 4147 1 135 . 1 1 11 11 GLY HA3 H 1 4.345 . . 2 . . . . . . . . 4147 1 136 . 1 1 11 11 GLY HA2 H 1 4.530 . . 2 . . . . . . . . 4147 1 137 . 1 1 11 11 GLY C C 13 179.396 . . 1 . . . . . . . . 4147 1 138 . 1 1 11 11 GLY CA C 13 45.710 . . 1 . . . . . . . . 4147 1 139 . 1 1 11 11 GLY N N 15 109.160 . . 1 . . . . . . . . 4147 1 140 . 1 1 12 12 THR H H 1 8.638 . . 1 . . . . . . . . 4147 1 141 . 1 1 12 12 THR HA H 1 5.129 . . 1 . . . . . . . . 4147 1 142 . 1 1 12 12 THR HB H 1 3.897 . . 1 . . . . . . . . 4147 1 143 . 1 1 12 12 THR CA C 13 60.387 . . 1 . . . . . . . . 4147 1 144 . 1 1 12 12 THR CB C 13 71.754 . . 1 . . . . . . . . 4147 1 145 . 1 1 12 12 THR CG2 C 13 21.121 . . 1 . . . . . . . . 4147 1 146 . 1 1 12 12 THR N N 15 113.420 . . 1 . . . . . . . . 4147 1 147 . 1 1 13 13 VAL H H 1 9.178 . . 1 . . . . . . . . 4147 1 148 . 1 1 13 13 VAL HA H 1 4.481 . . 1 . . . . . . . . 4147 1 149 . 1 1 13 13 VAL CA C 13 60.369 . . 1 . . . . . . . . 4147 1 150 . 1 1 13 13 VAL N N 15 127.897 . . 1 . . . . . . . . 4147 1 151 . 1 1 13 13 VAL HG11 H 1 0.544 . . 2 . . . . . . . . 4147 1 152 . 1 1 13 13 VAL HG12 H 1 0.544 . . 2 . . . . . . . . 4147 1 153 . 1 1 13 13 VAL HG13 H 1 0.544 . . 2 . . . . . . . . 4147 1 154 . 1 1 13 13 VAL HG21 H 1 0.740 . . 2 . . . . . . . . 4147 1 155 . 1 1 13 13 VAL HG22 H 1 0.740 . . 2 . . . . . . . . 4147 1 156 . 1 1 13 13 VAL HG23 H 1 0.740 . . 2 . . . . . . . . 4147 1 157 . 1 1 13 13 VAL CG1 C 13 21.17 . . 2 . . . . . . . . 4147 1 158 . 1 1 13 13 VAL CG2 C 13 22.35 . . 2 . . . . . . . . 4147 1 159 . 1 1 15 15 TRP HA H 1 4.772 . . 1 . . . . . . . . 4147 1 160 . 1 1 15 15 TRP HB2 H 1 3.532 . . 2 . . . . . . . . 4147 1 161 . 1 1 15 15 TRP HB3 H 1 3.316 . . 2 . . . . . . . . 4147 1 162 . 1 1 15 15 TRP HE1 H 1 10.324 . . 1 . . . . . . . . 4147 1 163 . 1 1 15 15 TRP C C 13 174.133 . . 1 . . . . . . . . 4147 1 164 . 1 1 15 15 TRP CA C 13 55.928 . . 1 . . . . . . . . 4147 1 165 . 1 1 15 15 TRP CB C 13 30.870 . . 1 . . . . . . . . 4147 1 166 . 1 1 15 15 TRP NE1 N 15 129.243 . . 1 . . . . . . . . 4147 1 167 . 1 1 16 16 PHE H H 1 8.845 . . 1 . . . . . . . . 4147 1 168 . 1 1 16 16 PHE HA H 1 4.290 . . 1 . . . . . . . . 4147 1 169 . 1 1 16 16 PHE CA C 13 59.194 . . 1 . . . . . . . . 4147 1 170 . 1 1 16 16 PHE CB C 13 42.457 . . 1 . . . . . . . . 4147 1 171 . 1 1 16 16 PHE N N 15 120.033 . . 1 . . . . . . . . 4147 1 172 . 1 1 18 18 VAL HA H 1 3.735 . . 1 . . . . . . . . 4147 1 173 . 1 1 18 18 VAL HB H 1 2.154 . . 1 . . . . . . . . 4147 1 174 . 1 1 18 18 VAL HG11 H 1 1.147 . . 2 . . . . . . . . 4147 1 175 . 1 1 18 18 VAL HG12 H 1 1.147 . . 2 . . . . . . . . 4147 1 176 . 1 1 18 18 VAL HG13 H 1 1.147 . . 2 . . . . . . . . 4147 1 177 . 1 1 18 18 VAL HG21 H 1 1.038 . . 2 . . . . . . . . 4147 1 178 . 1 1 18 18 VAL HG22 H 1 1.038 . . 2 . . . . . . . . 4147 1 179 . 1 1 18 18 VAL HG23 H 1 1.038 . . 2 . . . . . . . . 4147 1 180 . 1 1 18 18 VAL C C 13 177.441 . . 1 . . . . . . . . 4147 1 181 . 1 1 18 18 VAL CA C 13 65.177 . . 1 . . . . . . . . 4147 1 182 . 1 1 18 18 VAL CB C 13 32.014 . . 1 . . . . . . . . 4147 1 183 . 1 1 18 18 VAL CG1 C 13 21.306 . . 2 . . . . . . . . 4147 1 184 . 1 1 19 19 ARG H H 1 8.033 . . 1 . . . . . . . . 4147 1 185 . 1 1 19 19 ARG HA H 1 4.074 . . 1 . . . . . . . . 4147 1 186 . 1 1 19 19 ARG HB2 H 1 1.871 . . 1 . . . . . . . . 4147 1 187 . 1 1 19 19 ARG HB3 H 1 1.871 . . 1 . . . . . . . . 4147 1 188 . 1 1 19 19 ARG HG2 H 1 1.705 . . 2 . . . . . . . . 4147 1 189 . 1 1 19 19 ARG HG3 H 1 1.646 . . 2 . . . . . . . . 4147 1 190 . 1 1 19 19 ARG HD2 H 1 3.218 . . 1 . . . . . . . . 4147 1 191 . 1 1 19 19 ARG HD3 H 1 3.218 . . 1 . . . . . . . . 4147 1 192 . 1 1 19 19 ARG C C 13 177.918 . . 1 . . . . . . . . 4147 1 193 . 1 1 19 19 ARG CA C 13 58.800 . . 1 . . . . . . . . 4147 1 194 . 1 1 19 19 ARG CB C 13 29.627 . . 1 . . . . . . . . 4147 1 195 . 1 1 19 19 ARG CG C 13 27.228 . . 1 . . . . . . . . 4147 1 196 . 1 1 19 19 ARG CD C 13 43.235 . . 1 . . . . . . . . 4147 1 197 . 1 1 19 19 ARG N N 15 120.155 . . 1 . . . . . . . . 4147 1 198 . 1 1 20 20 ASN H H 1 7.752 . . 1 . . . . . . . . 4147 1 199 . 1 1 20 20 ASN HA H 1 4.723 . . 1 . . . . . . . . 4147 1 200 . 1 1 20 20 ASN HB2 H 1 2.086 . . 2 . . . . . . . . 4147 1 201 . 1 1 20 20 ASN HB3 H 1 2.798 . . 2 . . . . . . . . 4147 1 202 . 1 1 20 20 ASN C C 13 175.868 . . 1 . . . . . . . . 4147 1 203 . 1 1 20 20 ASN CA C 13 53.355 . . 1 . . . . . . . . 4147 1 204 . 1 1 20 20 ASN CB C 13 39.087 . . 1 . . . . . . . . 4147 1 205 . 1 1 20 20 ASN N N 15 114.409 . . 1 . . . . . . . . 4147 1 206 . 1 1 21 21 GLY H H 1 8.077 . . 1 . . . . . . . . 4147 1 207 . 1 1 21 21 GLY HA3 H 1 3.924 . . 2 . . . . . . . . 4147 1 208 . 1 1 21 21 GLY HA2 H 1 3.620 . . 2 . . . . . . . . 4147 1 209 . 1 1 21 21 GLY CA C 13 46.849 . . 1 . . . . . . . . 4147 1 210 . 1 1 21 21 GLY N N 15 108.872 . . 1 . . . . . . . . 4147 1 211 . 1 1 22 22 TYR HA H 1 4.375 . . 1 . . . . . . . . 4147 1 212 . 1 1 22 22 TYR HB2 H 1 1.661 . . 2 . . . . . . . . 4147 1 213 . 1 1 22 22 TYR C C 13 175.240 . . 1 . . . . . . . . 4147 1 214 . 1 1 22 22 TYR CA C 13 55.301 . . 1 . . . . . . . . 4147 1 215 . 1 1 22 22 TYR CB C 13 41.207 . . 1 . . . . . . . . 4147 1 216 . 1 1 23 23 GLY H H 1 8.052 . . 1 . . . . . . . . 4147 1 217 . 1 1 23 23 GLY HA3 H 1 2.893 . . 2 . . . . . . . . 4147 1 218 . 1 1 23 23 GLY HA2 H 1 3.781 . . 2 . . . . . . . . 4147 1 219 . 1 1 23 23 GLY C C 13 178.905 . . 1 . . . . . . . . 4147 1 220 . 1 1 23 23 GLY CA C 13 45.337 . . 1 . . . . . . . . 4147 1 221 . 1 1 23 23 GLY N N 15 106.060 . . 1 . . . . . . . . 4147 1 222 . 1 1 24 24 PHE H H 1 7.743 . . 1 . . . . . . . . 4147 1 223 . 1 1 24 24 PHE HA H 1 5.134 . . 1 . . . . . . . . 4147 1 224 . 1 1 24 24 PHE HB2 H 1 2.151 . . 2 . . . . . . . . 4147 1 225 . 1 1 24 24 PHE HB3 H 1 2.516 . . 2 . . . . . . . . 4147 1 226 . 1 1 24 24 PHE C C 13 174.618 . . 1 . . . . . . . . 4147 1 227 . 1 1 24 24 PHE CA C 13 56.837 . . 1 . . . . . . . . 4147 1 228 . 1 1 24 24 PHE CB C 13 44.776 . . 1 . . . . . . . . 4147 1 229 . 1 1 24 24 PHE N N 15 114.468 . . 1 . . . . . . . . 4147 1 230 . 1 1 25 25 ILE H H 1 9.266 . . 1 . . . . . . . . 4147 1 231 . 1 1 25 25 ILE HA H 1 4.137 . . 1 . . . . . . . . 4147 1 232 . 1 1 25 25 ILE HB H 1 0.903 . . 1 . . . . . . . . 4147 1 233 . 1 1 25 25 ILE HD11 H 1 -0.208 . . 1 . . . . . . . . 4147 1 234 . 1 1 25 25 ILE HD12 H 1 -0.208 . . 1 . . . . . . . . 4147 1 235 . 1 1 25 25 ILE HD13 H 1 -0.208 . . 1 . . . . . . . . 4147 1 236 . 1 1 25 25 ILE HG12 H 1 1.175 . . 2 . . . . . . . . 4147 1 237 . 1 1 25 25 ILE HG13 H 1 0.292 . . 2 . . . . . . . . 4147 1 238 . 1 1 25 25 ILE HG21 H 1 0.223 . . 1 . . . . . . . . 4147 1 239 . 1 1 25 25 ILE HG22 H 1 0.223 . . 1 . . . . . . . . 4147 1 240 . 1 1 25 25 ILE HG23 H 1 0.223 . . 1 . . . . . . . . 4147 1 241 . 1 1 25 25 ILE C C 13 173.850 . . 1 . . . . . . . . 4147 1 242 . 1 1 25 25 ILE CA C 13 59.603 . . 1 . . . . . . . . 4147 1 243 . 1 1 25 25 ILE CB C 13 41.322 . . 1 . . . . . . . . 4147 1 244 . 1 1 25 25 ILE CG1 C 13 27.447 . . 1 . . . . . . . . 4147 1 245 . 1 1 25 25 ILE CG2 C 13 19.257 . . 1 . . . . . . . . 4147 1 246 . 1 1 25 25 ILE CD1 C 13 13.363 . . 1 . . . . . . . . 4147 1 247 . 1 1 25 25 ILE N N 15 121.056 . . 1 . . . . . . . . 4147 1 248 . 1 1 26 26 ASN H H 1 9.283 . . 1 . . . . . . . . 4147 1 249 . 1 1 26 26 ASN HA H 1 5.334 . . 1 . . . . . . . . 4147 1 250 . 1 1 26 26 ASN HB2 H 1 2.524 . . 2 . . . . . . . . 4147 1 251 . 1 1 26 26 ASN HB3 H 1 2.705 . . 2 . . . . . . . . 4147 1 252 . 1 1 26 26 ASN HD21 H 1 8.299 . . 2 . . . . . . . . 4147 1 253 . 1 1 26 26 ASN HD22 H 1 6.012 . . 2 . . . . . . . . 4147 1 254 . 1 1 26 26 ASN C C 13 174.884 . . 1 . . . . . . . . 4147 1 255 . 1 1 26 26 ASN CA C 13 53.612 . . 1 . . . . . . . . 4147 1 256 . 1 1 26 26 ASN CB C 13 41.858 . . 1 . . . . . . . . 4147 1 257 . 1 1 26 26 ASN N N 15 127.039 . . 1 . . . . . . . . 4147 1 258 . 1 1 26 26 ASN ND2 N 15 111.437 . . 1 . . . . . . . . 4147 1 259 . 1 1 27 27 ARG H H 1 9.152 . . 1 . . . . . . . . 4147 1 260 . 1 1 27 27 ARG HA H 1 4.215 . . 1 . . . . . . . . 4147 1 261 . 1 1 27 27 ARG HB2 H 1 2.858 . . 2 . . . . . . . . 4147 1 262 . 1 1 27 27 ARG HB3 H 1 2.049 . . 2 . . . . . . . . 4147 1 263 . 1 1 27 27 ARG HD2 H 1 3.203 . . 2 . . . . . . . . 4147 1 264 . 1 1 27 27 ARG HD3 H 1 3.132 . . 2 . . . . . . . . 4147 1 265 . 1 1 27 27 ARG HG2 H 1 1.813 . . 2 . . . . . . . . 4147 1 266 . 1 1 27 27 ARG HG3 H 1 2.192 . . 2 . . . . . . . . 4147 1 267 . 1 1 27 27 ARG C C 13 177.343 . . 1 . . . . . . . . 4147 1 268 . 1 1 27 27 ARG CA C 13 58.037 . . 1 . . . . . . . . 4147 1 269 . 1 1 27 27 ARG CB C 13 32.038 . . 1 . . . . . . . . 4147 1 270 . 1 1 27 27 ARG CG C 13 27.884 . . 1 . . . . . . . . 4147 1 271 . 1 1 27 27 ARG CD C 13 44.348 . . 1 . . . . . . . . 4147 1 272 . 1 1 27 27 ARG N N 15 126.875 . . 1 . . . . . . . . 4147 1 273 . 1 1 28 28 ASN H H 1 9.529 . . 1 . . . . . . . . 4147 1 274 . 1 1 28 28 ASN HA H 1 4.535 . . 1 . . . . . . . . 4147 1 275 . 1 1 28 28 ASN HB2 H 1 2.765 . . 2 . . . . . . . . 4147 1 276 . 1 1 28 28 ASN HB3 H 1 2.944 . . 2 . . . . . . . . 4147 1 277 . 1 1 28 28 ASN C C 13 175.891 . . 1 . . . . . . . . 4147 1 278 . 1 1 28 28 ASN CA C 13 54.982 . . 1 . . . . . . . . 4147 1 279 . 1 1 28 28 ASN CB C 13 37.534 . . 1 . . . . . . . . 4147 1 280 . 1 1 28 28 ASN N N 15 121.600 . . 1 . . . . . . . . 4147 1 281 . 1 1 29 29 ASP H H 1 8.864 . . 1 . . . . . . . . 4147 1 282 . 1 1 29 29 ASP HA H 1 4.501 . . 1 . . . . . . . . 4147 1 283 . 1 1 29 29 ASP HB2 H 1 2.817 . . 2 . . . . . . . . 4147 1 284 . 1 1 29 29 ASP HB3 H 1 2.907 . . 2 . . . . . . . . 4147 1 285 . 1 1 29 29 ASP C C 13 178.267 . . 1 . . . . . . . . 4147 1 286 . 1 1 29 29 ASP CA C 13 55.488 . . 1 . . . . . . . . 4147 1 287 . 1 1 29 29 ASP CB C 13 38.985 . . 1 . . . . . . . . 4147 1 288 . 1 1 29 29 ASP N N 15 116.426 . . 1 . . . . . . . . 4147 1 289 . 1 1 30 30 THR H H 1 8.620 . . 1 . . . . . . . . 4147 1 290 . 1 1 30 30 THR HA H 1 4.383 . . 1 . . . . . . . . 4147 1 291 . 1 1 30 30 THR HG21 H 1 1.064 . . 1 . . . . . . . . 4147 1 292 . 1 1 30 30 THR HG22 H 1 1.064 . . 1 . . . . . . . . 4147 1 293 . 1 1 30 30 THR HG23 H 1 1.064 . . 1 . . . . . . . . 4147 1 294 . 1 1 30 30 THR C C 13 175.772 . . 1 . . . . . . . . 4147 1 295 . 1 1 30 30 THR CA C 13 61.293 . . 1 . . . . . . . . 4147 1 296 . 1 1 30 30 THR CB C 13 70.580 . . 1 . . . . . . . . 4147 1 297 . 1 1 30 30 THR CG2 C 13 21.865 . . 1 . . . . . . . . 4147 1 298 . 1 1 30 30 THR N N 15 109.313 . . 1 . . . . . . . . 4147 1 299 . 1 1 31 31 LYS H H 1 7.808 . . 1 . . . . . . . . 4147 1 300 . 1 1 31 31 LYS HA H 1 4.582 . . 1 . . . . . . . . 4147 1 301 . 1 1 31 31 LYS HB2 H 1 2.178 . . 2 . . . . . . . . 4147 1 302 . 1 1 31 31 LYS HB3 H 1 2.115 . . 2 . . . . . . . . 4147 1 303 . 1 1 31 31 LYS HG2 H 1 1.439 . . 2 . . . . . . . . 4147 1 304 . 1 1 31 31 LYS HG3 H 1 1.280 . . 2 . . . . . . . . 4147 1 305 . 1 1 31 31 LYS HD2 H 1 1.752 . . 2 . . . . . . . . 4147 1 306 . 1 1 31 31 LYS HD3 H 1 1.666 . . 2 . . . . . . . . 4147 1 307 . 1 1 31 31 LYS HE2 H 1 3.015 . . 1 . . . . . . . . 4147 1 308 . 1 1 31 31 LYS HE3 H 1 3.015 . . 1 . . . . . . . . 4147 1 309 . 1 1 31 31 LYS C C 13 176.593 . . 1 . . . . . . . . 4147 1 310 . 1 1 31 31 LYS CA C 13 56.794 . . 1 . . . . . . . . 4147 1 311 . 1 1 31 31 LYS CB C 13 28.160 . . 1 . . . . . . . . 4147 1 312 . 1 1 31 31 LYS CG C 13 24.797 . . 1 . . . . . . . . 4147 1 313 . 1 1 31 31 LYS CD C 13 28.798 . . 1 . . . . . . . . 4147 1 314 . 1 1 31 31 LYS CE C 13 42.720 . . 1 . . . . . . . . 4147 1 315 . 1 1 31 31 LYS N N 15 114.845 . . 1 . . . . . . . . 4147 1 316 . 1 1 32 32 GLU H H 1 7.217 . . 1 . . . . . . . . 4147 1 317 . 1 1 32 32 GLU HA H 1 4.457 . . 1 . . . . . . . . 4147 1 318 . 1 1 32 32 GLU HB2 H 1 1.721 . . 2 . . . . . . . . 4147 1 319 . 1 1 32 32 GLU HB3 H 1 2.044 . . 2 . . . . . . . . 4147 1 320 . 1 1 32 32 GLU HG2 H 1 2.226 . . 1 . . . . . . . . 4147 1 321 . 1 1 32 32 GLU HG3 H 1 2.226 . . 1 . . . . . . . . 4147 1 322 . 1 1 32 32 GLU C C 13 176.103 . . 1 . . . . . . . . 4147 1 323 . 1 1 32 32 GLU CA C 13 55.213 . . 1 . . . . . . . . 4147 1 324 . 1 1 32 32 GLU CB C 13 32.932 . . 1 . . . . . . . . 4147 1 325 . 1 1 32 32 GLU CG C 13 36.827 . . 1 . . . . . . . . 4147 1 326 . 1 1 32 32 GLU N N 15 117.870 . . 1 . . . . . . . . 4147 1 327 . 1 1 33 33 ASP H H 1 8.656 . . 1 . . . . . . . . 4147 1 328 . 1 1 33 33 ASP HA H 1 5.451 . . 1 . . . . . . . . 4147 1 329 . 1 1 33 33 ASP HB2 H 1 2.310 . . 2 . . . . . . . . 4147 1 330 . 1 1 33 33 ASP HB3 H 1 2.531 . . 2 . . . . . . . . 4147 1 331 . 1 1 33 33 ASP C C 13 177.108 . . 1 . . . . . . . . 4147 1 332 . 1 1 33 33 ASP CA C 13 54.333 . . 1 . . . . . . . . 4147 1 333 . 1 1 33 33 ASP CB C 13 41.864 . . 1 . . . . . . . . 4147 1 334 . 1 1 33 33 ASP N N 15 122.194 . . 1 . . . . . . . . 4147 1 335 . 1 1 34 34 VAL H H 1 9.680 . . 1 . . . . . . . . 4147 1 336 . 1 1 34 34 VAL HA H 1 4.475 . . 1 . . . . . . . . 4147 1 337 . 1 1 34 34 VAL HB H 1 1.886 . . 1 . . . . . . . . 4147 1 338 . 1 1 34 34 VAL HG11 H 1 0.934 . . 2 . . . . . . . . 4147 1 339 . 1 1 34 34 VAL HG12 H 1 0.934 . . 2 . . . . . . . . 4147 1 340 . 1 1 34 34 VAL HG13 H 1 0.934 . . 2 . . . . . . . . 4147 1 341 . 1 1 34 34 VAL C C 13 174.420 . . 1 . . . . . . . . 4147 1 342 . 1 1 34 34 VAL CA C 13 60.850 . . 1 . . . . . . . . 4147 1 343 . 1 1 34 34 VAL CB C 13 34.946 . . 1 . . . . . . . . 4147 1 344 . 1 1 34 34 VAL CG1 C 13 21.745 . . 2 . . . . . . . . 4147 1 345 . 1 1 34 34 VAL N N 15 121.449 . . 1 . . . . . . . . 4147 1 346 . 1 1 35 35 PHE H H 1 8.390 . . 1 . . . . . . . . 4147 1 347 . 1 1 35 35 PHE HA H 1 3.860 . . 1 . . . . . . . . 4147 1 348 . 1 1 35 35 PHE HB2 H 1 2.868 . . 2 . . . . . . . . 4147 1 349 . 1 1 35 35 PHE HB3 H 1 3.137 . . 2 . . . . . . . . 4147 1 350 . 1 1 35 35 PHE C C 13 181.000 . . 1 . . . . . . . . 4147 1 351 . 1 1 35 35 PHE CA C 13 58.960 . . 1 . . . . . . . . 4147 1 352 . 1 1 35 35 PHE CB C 13 40.456 . . 1 . . . . . . . . 4147 1 353 . 1 1 35 35 PHE N N 15 127.409 . . 1 . . . . . . . . 4147 1 354 . 1 1 36 36 VAL H H 1 7.663 . . 1 . . . . . . . . 4147 1 355 . 1 1 36 36 VAL HA H 1 4.634 . . 1 . . . . . . . . 4147 1 356 . 1 1 36 36 VAL HB H 1 1.429 . . 1 . . . . . . . . 4147 1 357 . 1 1 36 36 VAL HG11 H 1 0.607 . . 2 . . . . . . . . 4147 1 358 . 1 1 36 36 VAL HG12 H 1 0.607 . . 2 . . . . . . . . 4147 1 359 . 1 1 36 36 VAL HG13 H 1 0.607 . . 2 . . . . . . . . 4147 1 360 . 1 1 36 36 VAL HG21 H 1 0.409 . . 2 . . . . . . . . 4147 1 361 . 1 1 36 36 VAL HG22 H 1 0.409 . . 2 . . . . . . . . 4147 1 362 . 1 1 36 36 VAL HG23 H 1 0.409 . . 2 . . . . . . . . 4147 1 363 . 1 1 36 36 VAL C C 13 178.693 . . 1 . . . . . . . . 4147 1 364 . 1 1 36 36 VAL CA C 13 58.052 . . 1 . . . . . . . . 4147 1 365 . 1 1 36 36 VAL CB C 13 34.319 . . 1 . . . . . . . . 4147 1 366 . 1 1 36 36 VAL CG1 C 13 23.277 . . 2 . . . . . . . . 4147 1 367 . 1 1 36 36 VAL CG2 C 13 18.213 . . 2 . . . . . . . . 4147 1 368 . 1 1 36 36 VAL N N 15 123.438 . . 1 . . . . . . . . 4147 1 369 . 1 1 37 37 HIS H H 1 8.691 . . 1 . . . . . . . . 4147 1 370 . 1 1 37 37 HIS HA H 1 4.798 . . 1 . . . . . . . . 4147 1 371 . 1 1 37 37 HIS HB2 H 1 2.986 . . 2 . . . . . . . . 4147 1 372 . 1 1 37 37 HIS HB3 H 1 3.189 . . 2 . . . . . . . . 4147 1 373 . 1 1 37 37 HIS C C 13 176.844 . . 1 . . . . . . . . 4147 1 374 . 1 1 37 37 HIS CA C 13 56.031 . . 1 . . . . . . . . 4147 1 375 . 1 1 37 37 HIS CB C 13 34.224 . . 1 . . . . . . . . 4147 1 376 . 1 1 37 37 HIS N N 15 126.658 . . 1 . . . . . . . . 4147 1 377 . 1 1 38 38 GLN H H 1 8.182 . . 1 . . . . . . . . 4147 1 378 . 1 1 38 38 GLN HA H 1 3.912 . . 1 . . . . . . . . 4147 1 379 . 1 1 38 38 GLN HB2 H 1 1.951 . . 2 . . . . . . . . 4147 1 380 . 1 1 38 38 GLN HB3 H 1 2.218 . . 2 . . . . . . . . 4147 1 381 . 1 1 38 38 GLN C C 13 177.443 . . 1 . . . . . . . . 4147 1 382 . 1 1 38 38 GLN CA C 13 59.136 . . 1 . . . . . . . . 4147 1 383 . 1 1 38 38 GLN CB C 13 28.380 . . 1 . . . . . . . . 4147 1 384 . 1 1 38 38 GLN CG C 13 32.684 . . 1 . . . . . . . . 4147 1 385 . 1 1 38 38 GLN N N 15 123.837 . . 1 . . . . . . . . 4147 1 386 . 1 1 39 39 THR H H 1 9.072 . . 1 . . . . . . . . 4147 1 387 . 1 1 39 39 THR HA H 1 4.463 . . 1 . . . . . . . . 4147 1 388 . 1 1 39 39 THR HB H 1 4.169 . . 1 . . . . . . . . 4147 1 389 . 1 1 39 39 THR HG21 H 1 1.559 . . 1 . . . . . . . . 4147 1 390 . 1 1 39 39 THR HG22 H 1 1.559 . . 1 . . . . . . . . 4147 1 391 . 1 1 39 39 THR HG23 H 1 1.559 . . 1 . . . . . . . . 4147 1 392 . 1 1 39 39 THR C C 13 175.494 . . 1 . . . . . . . . 4147 1 393 . 1 1 39 39 THR CA C 13 64.243 . . 1 . . . . . . . . 4147 1 394 . 1 1 39 39 THR CB C 13 70.024 . . 1 . . . . . . . . 4147 1 395 . 1 1 39 39 THR CG2 C 13 23.174 . . 1 . . . . . . . . 4147 1 396 . 1 1 39 39 THR N N 15 111.399 . . 1 . . . . . . . . 4147 1 397 . 1 1 40 40 ALA H H 1 8.272 . . 1 . . . . . . . . 4147 1 398 . 1 1 40 40 ALA HA H 1 4.562 . . 1 . . . . . . . . 4147 1 399 . 1 1 40 40 ALA HB1 H 1 1.637 . . 1 . . . . . . . . 4147 1 400 . 1 1 40 40 ALA HB2 H 1 1.637 . . 1 . . . . . . . . 4147 1 401 . 1 1 40 40 ALA HB3 H 1 1.637 . . 1 . . . . . . . . 4147 1 402 . 1 1 40 40 ALA C C 13 176.847 . . 1 . . . . . . . . 4147 1 403 . 1 1 40 40 ALA CA C 13 52.547 . . 1 . . . . . . . . 4147 1 404 . 1 1 40 40 ALA CB C 13 20.858 . . 1 . . . . . . . . 4147 1 405 . 1 1 40 40 ALA N N 15 123.190 . . 1 . . . . . . . . 4147 1 406 . 1 1 41 41 ILE H H 1 7.277 . . 1 . . . . . . . . 4147 1 407 . 1 1 41 41 ILE HA H 1 3.968 . . 1 . . . . . . . . 4147 1 408 . 1 1 41 41 ILE HB H 1 1.821 . . 1 . . . . . . . . 4147 1 409 . 1 1 41 41 ILE HG21 H 1 0.680 . . 1 . . . . . . . . 4147 1 410 . 1 1 41 41 ILE HG22 H 1 0.680 . . 1 . . . . . . . . 4147 1 411 . 1 1 41 41 ILE HG23 H 1 0.680 . . 1 . . . . . . . . 4147 1 412 . 1 1 41 41 ILE HG12 H 1 1.415 . . 2 . . . . . . . . 4147 1 413 . 1 1 41 41 ILE HG13 H 1 0.579 . . 2 . . . . . . . . 4147 1 414 . 1 1 41 41 ILE HD11 H 1 0.329 . . 1 . . . . . . . . 4147 1 415 . 1 1 41 41 ILE HD12 H 1 0.329 . . 1 . . . . . . . . 4147 1 416 . 1 1 41 41 ILE HD13 H 1 0.329 . . 1 . . . . . . . . 4147 1 417 . 1 1 41 41 ILE C C 13 175.977 . . 1 . . . . . . . . 4147 1 418 . 1 1 41 41 ILE CA C 13 61.853 . . 1 . . . . . . . . 4147 1 419 . 1 1 41 41 ILE CB C 13 37.485 . . 1 . . . . . . . . 4147 1 420 . 1 1 41 41 ILE CG1 C 13 27.418 . . 1 . . . . . . . . 4147 1 421 . 1 1 41 41 ILE CG2 C 13 17.650 . . 1 . . . . . . . . 4147 1 422 . 1 1 41 41 ILE CD1 C 13 13.139 . . 1 . . . . . . . . 4147 1 423 . 1 1 41 41 ILE N N 15 117.983 . . 1 . . . . . . . . 4147 1 424 . 1 1 42 42 LYS H H 1 8.864 . . 1 . . . . . . . . 4147 1 425 . 1 1 42 42 LYS HA H 1 4.300 . . 1 . . . . . . . . 4147 1 426 . 1 1 42 42 LYS HB2 H 1 1.638 . . 2 . . . . . . . . 4147 1 427 . 1 1 42 42 LYS HB3 H 1 1.800 . . 2 . . . . . . . . 4147 1 428 . 1 1 42 42 LYS C C 13 174.250 . . 1 . . . . . . . . 4147 1 429 . 1 1 42 42 LYS CA C 13 56.399 . . 1 . . . . . . . . 4147 1 430 . 1 1 42 42 LYS CB C 13 32.915 . . 1 . . . . . . . . 4147 1 431 . 1 1 42 42 LYS CG C 13 24.855 . . 1 . . . . . . . . 4147 1 432 . 1 1 42 42 LYS CD C 13 29.141 . . 1 . . . . . . . . 4147 1 433 . 1 1 42 42 LYS N N 15 124.764 . . 1 . . . . . . . . 4147 1 434 . 1 1 43 43 LYS H H 1 8.193 . . 1 . . . . . . . . 4147 1 435 . 1 1 43 43 LYS HA H 1 4.190 . . 1 . . . . . . . . 4147 1 436 . 1 1 43 43 LYS N N 15 122.069 . . 1 . . . . . . . . 4147 1 437 . 1 1 44 44 ASN HA H 1 4.655 . . 1 . . . . . . . . 4147 1 438 . 1 1 44 44 ASN HB2 H 1 2.781 . . 2 . . . . . . . . 4147 1 439 . 1 1 44 44 ASN HB3 H 1 2.783 . . 2 . . . . . . . . 4147 1 440 . 1 1 44 44 ASN C C 13 174.613 . . 1 . . . . . . . . 4147 1 441 . 1 1 44 44 ASN CA C 13 53.402 . . 1 . . . . . . . . 4147 1 442 . 1 1 44 44 ASN CB C 13 38.778 . . 1 . . . . . . . . 4147 1 443 . 1 1 45 45 ASN H H 1 8.200 . . 1 . . . . . . . . 4147 1 444 . 1 1 45 45 ASN HA H 1 4.971 . . 1 . . . . . . . . 4147 1 445 . 1 1 45 45 ASN HB2 H 1 2.886 . . 1 . . . . . . . . 4147 1 446 . 1 1 45 45 ASN HB3 H 1 2.886 . . 1 . . . . . . . . 4147 1 447 . 1 1 45 45 ASN CA C 13 51.286 . . 1 . . . . . . . . 4147 1 448 . 1 1 45 45 ASN CB C 13 39.309 . . 1 . . . . . . . . 4147 1 449 . 1 1 45 45 ASN N N 15 119.142 . . 1 . . . . . . . . 4147 1 450 . 1 1 46 46 PRO HA H 1 4.297 . . 1 . . . . . . . . 4147 1 451 . 1 1 46 46 PRO HB2 H 1 2.307 . . 2 . . . . . . . . 4147 1 452 . 1 1 46 46 PRO HB3 H 1 1.945 . . 2 . . . . . . . . 4147 1 453 . 1 1 46 46 PRO HG2 H 1 1.988 . . 1 . . . . . . . . 4147 1 454 . 1 1 46 46 PRO HG3 H 1 1.988 . . 1 . . . . . . . . 4147 1 455 . 1 1 46 46 PRO HD2 H 1 3.787 . . 1 . . . . . . . . 4147 1 456 . 1 1 46 46 PRO HD3 H 1 3.787 . . 1 . . . . . . . . 4147 1 457 . 1 1 46 46 PRO C C 13 177.382 . . 1 . . . . . . . . 4147 1 458 . 1 1 46 46 PRO CA C 13 64.390 . . 1 . . . . . . . . 4147 1 459 . 1 1 46 46 PRO CB C 13 32.270 . . 1 . . . . . . . . 4147 1 460 . 1 1 46 46 PRO CG C 13 27.198 . . 1 . . . . . . . . 4147 1 461 . 1 1 46 46 PRO CD C 13 50.897 . . 1 . . . . . . . . 4147 1 462 . 1 1 47 47 ARG H H 1 8.051 . . 1 . . . . . . . . 4147 1 463 . 1 1 47 47 ARG HA H 1 4.248 . . 1 . . . . . . . . 4147 1 464 . 1 1 47 47 ARG HB2 H 1 1.790 . . 2 . . . . . . . . 4147 1 465 . 1 1 47 47 ARG HB3 H 1 1.719 . . 2 . . . . . . . . 4147 1 466 . 1 1 47 47 ARG HD2 H 1 3.194 . . 1 . . . . . . . . 4147 1 467 . 1 1 47 47 ARG HD3 H 1 3.194 . . 1 . . . . . . . . 4147 1 468 . 1 1 47 47 ARG C C 13 176.478 . . 1 . . . . . . . . 4147 1 469 . 1 1 47 47 ARG CA C 13 56.545 . . 1 . . . . . . . . 4147 1 470 . 1 1 47 47 ARG CB C 13 30.331 . . 1 . . . . . . . . 4147 1 471 . 1 1 47 47 ARG CG C 13 27.516 . . 1 . . . . . . . . 4147 1 472 . 1 1 47 47 ARG CD C 13 43.260 . . 1 . . . . . . . . 4147 1 473 . 1 1 47 47 ARG N N 15 116.818 . . 1 . . . . . . . . 4147 1 474 . 1 1 48 48 LYS H H 1 7.787 . . 1 . . . . . . . . 4147 1 475 . 1 1 48 48 LYS HA H 1 4.253 . . 1 . . . . . . . . 4147 1 476 . 1 1 48 48 LYS HB2 H 1 1.825 . . 2 . . . . . . . . 4147 1 477 . 1 1 48 48 LYS HB3 H 1 1.651 . . 2 . . . . . . . . 4147 1 478 . 1 1 48 48 LYS HG2 H 1 1.280 . . 2 . . . . . . . . 4147 1 479 . 1 1 48 48 LYS HG3 H 1 1.199 . . 2 . . . . . . . . 4147 1 480 . 1 1 48 48 LYS HD2 H 1 1.621 . . 1 . . . . . . . . 4147 1 481 . 1 1 48 48 LYS HD3 H 1 1.621 . . 1 . . . . . . . . 4147 1 482 . 1 1 48 48 LYS HE2 H 1 2.921 . . 1 . . . . . . . . 4147 1 483 . 1 1 48 48 LYS HE3 H 1 2.921 . . 1 . . . . . . . . 4147 1 484 . 1 1 48 48 LYS CA C 13 56.365 . . 1 . . . . . . . . 4147 1 485 . 1 1 48 48 LYS CB C 13 33.135 . . 1 . . . . . . . . 4147 1 486 . 1 1 48 48 LYS CG C 13 24.912 . . 1 . . . . . . . . 4147 1 487 . 1 1 48 48 LYS CD C 13 29.313 . . 1 . . . . . . . . 4147 1 488 . 1 1 48 48 LYS CE C 13 42.085 . . 1 . . . . . . . . 4147 1 489 . 1 1 48 48 LYS N N 15 119.394 . . 1 . . . . . . . . 4147 1 490 . 1 1 49 49 TYR H H 1 7.865 . . 1 . . . . . . . . 4147 1 491 . 1 1 49 49 TYR HA H 1 4.506 . . 1 . . . . . . . . 4147 1 492 . 1 1 49 49 TYR HB2 H 1 2.994 . . 1 . . . . . . . . 4147 1 493 . 1 1 49 49 TYR HB3 H 1 2.994 . . 1 . . . . . . . . 4147 1 494 . 1 1 49 49 TYR C C 13 175.516 . . 1 . . . . . . . . 4147 1 495 . 1 1 49 49 TYR CA C 13 57.912 . . 1 . . . . . . . . 4147 1 496 . 1 1 49 49 TYR CB C 13 38.486 . . 1 . . . . . . . . 4147 1 497 . 1 1 49 49 TYR N N 15 120.060 . . 1 . . . . . . . . 4147 1 498 . 1 1 50 50 LEU H H 1 7.908 . . 1 . . . . . . . . 4147 1 499 . 1 1 50 50 LEU HA H 1 4.274 . . 1 . . . . . . . . 4147 1 500 . 1 1 50 50 LEU HB2 H 1 1.478 . . 1 . . . . . . . . 4147 1 501 . 1 1 50 50 LEU HB3 H 1 1.478 . . 1 . . . . . . . . 4147 1 502 . 1 1 50 50 LEU HG H 1 1.396 . . 1 . . . . . . . . 4147 1 503 . 1 1 50 50 LEU HD11 H 1 0.825 . . 2 . . . . . . . . 4147 1 504 . 1 1 50 50 LEU HD12 H 1 0.825 . . 2 . . . . . . . . 4147 1 505 . 1 1 50 50 LEU HD13 H 1 0.825 . . 2 . . . . . . . . 4147 1 506 . 1 1 50 50 LEU HD21 H 1 0.772 . . 2 . . . . . . . . 4147 1 507 . 1 1 50 50 LEU HD22 H 1 0.772 . . 2 . . . . . . . . 4147 1 508 . 1 1 50 50 LEU HD23 H 1 0.772 . . 2 . . . . . . . . 4147 1 509 . 1 1 50 50 LEU C C 13 176.574 . . 1 . . . . . . . . 4147 1 510 . 1 1 50 50 LEU CA C 13 54.846 . . 1 . . . . . . . . 4147 1 511 . 1 1 50 50 LEU CB C 13 42.529 . . 1 . . . . . . . . 4147 1 512 . 1 1 50 50 LEU CG C 13 26.889 . . 1 . . . . . . . . 4147 1 513 . 1 1 50 50 LEU CD1 C 13 25.19 . . 2 . . . . . . . . 4147 1 514 . 1 1 50 50 LEU CD2 C 13 23.95 . . 2 . . . . . . . . 4147 1 515 . 1 1 50 50 LEU N N 15 122.870 . . 1 . . . . . . . . 4147 1 516 . 1 1 51 51 ARG H H 1 8.217 . . 1 . . . . . . . . 4147 1 517 . 1 1 51 51 ARG HA H 1 4.191 . . 1 . . . . . . . . 4147 1 518 . 1 1 51 51 ARG HB2 H 1 1.809 . . 1 . . . . . . . . 4147 1 519 . 1 1 51 51 ARG HB3 H 1 1.809 . . 1 . . . . . . . . 4147 1 520 . 1 1 51 51 ARG HG2 H 1 1.606 . . 2 . . . . . . . . 4147 1 521 . 1 1 51 51 ARG HD2 H 1 3.189 . . 1 . . . . . . . . 4147 1 522 . 1 1 51 51 ARG HD3 H 1 3.189 . . 1 . . . . . . . . 4147 1 523 . 1 1 51 51 ARG C C 13 175.562 . . 1 . . . . . . . . 4147 1 524 . 1 1 51 51 ARG CA C 13 56.467 . . 1 . . . . . . . . 4147 1 525 . 1 1 51 51 ARG CB C 13 30.732 . . 1 . . . . . . . . 4147 1 526 . 1 1 51 51 ARG CG C 13 27.236 . . 1 . . . . . . . . 4147 1 527 . 1 1 51 51 ARG CD C 13 43.457 . . 1 . . . . . . . . 4147 1 528 . 1 1 51 51 ARG N N 15 121.668 . . 1 . . . . . . . . 4147 1 529 . 1 1 52 52 SER H H 1 7.811 . . 1 . . . . . . . . 4147 1 530 . 1 1 52 52 SER HA H 1 4.453 . . 1 . . . . . . . . 4147 1 531 . 1 1 52 52 SER HB2 H 1 3.879 . . 2 . . . . . . . . 4147 1 532 . 1 1 52 52 SER C C 13 173.656 . . 1 . . . . . . . . 4147 1 533 . 1 1 52 52 SER CA C 13 58.497 . . 1 . . . . . . . . 4147 1 534 . 1 1 52 52 SER CB C 13 64.264 . . 1 . . . . . . . . 4147 1 535 . 1 1 52 52 SER N N 15 113.641 . . 1 . . . . . . . . 4147 1 536 . 1 1 53 53 VAL H H 1 7.998 . . 1 . . . . . . . . 4147 1 537 . 1 1 53 53 VAL HA H 1 4.171 . . 1 . . . . . . . . 4147 1 538 . 1 1 53 53 VAL HB H 1 1.667 . . 1 . . . . . . . . 4147 1 539 . 1 1 53 53 VAL C C 13 174.593 . . 1 . . . . . . . . 4147 1 540 . 1 1 53 53 VAL CA C 13 60.264 . . 1 . . . . . . . . 4147 1 541 . 1 1 53 53 VAL CB C 13 33.236 . . 1 . . . . . . . . 4147 1 542 . 1 1 53 53 VAL HG11 H 1 0.399 . . 1 . . . . . . . . 4147 1 543 . 1 1 53 53 VAL HG12 H 1 0.399 . . 1 . . . . . . . . 4147 1 544 . 1 1 53 53 VAL HG13 H 1 0.399 . . 1 . . . . . . . . 4147 1 545 . 1 1 53 53 VAL HG21 H 1 0.399 . . 1 . . . . . . . . 4147 1 546 . 1 1 53 53 VAL HG22 H 1 0.399 . . 1 . . . . . . . . 4147 1 547 . 1 1 53 53 VAL HG23 H 1 0.399 . . 1 . . . . . . . . 4147 1 548 . 1 1 53 53 VAL CG1 C 13 21.88 . . 1 . . . . . . . . 4147 1 549 . 1 1 53 53 VAL CG2 C 13 21.88 . . 1 . . . . . . . . 4147 1 550 . 1 1 53 53 VAL N N 15 127.623 . . 1 . . . . . . . . 4147 1 551 . 1 1 54 54 GLY H H 1 8.228 . . 1 . . . . . . . . 4147 1 552 . 1 1 54 54 GLY HA3 H 1 3.689 . . 2 . . . . . . . . 4147 1 553 . 1 1 54 54 GLY HA2 H 1 4.226 . . 2 . . . . . . . . 4147 1 554 . 1 1 54 54 GLY C C 13 181.122 . . 1 . . . . . . . . 4147 1 555 . 1 1 54 54 GLY CA C 13 44.398 . . 1 . . . . . . . . 4147 1 556 . 1 1 54 54 GLY N N 15 109.718 . . 1 . . . . . . . . 4147 1 557 . 1 1 55 55 ASP H H 1 8.350 . . 1 . . . . . . . . 4147 1 558 . 1 1 55 55 ASP HA H 1 4.041 . . 1 . . . . . . . . 4147 1 559 . 1 1 55 55 ASP HB2 H 1 2.594 . . 2 . . . . . . . . 4147 1 560 . 1 1 55 55 ASP HB3 H 1 2.676 . . 2 . . . . . . . . 4147 1 561 . 1 1 55 55 ASP C C 13 177.731 . . 1 . . . . . . . . 4147 1 562 . 1 1 55 55 ASP CA C 13 55.774 . . 1 . . . . . . . . 4147 1 563 . 1 1 55 55 ASP CB C 13 40.082 . . 1 . . . . . . . . 4147 1 564 . 1 1 55 55 ASP N N 15 119.999 . . 1 . . . . . . . . 4147 1 565 . 1 1 56 56 GLY H H 1 8.808 . . 1 . . . . . . . . 4147 1 566 . 1 1 56 56 GLY HA3 H 1 3.675 . . 2 . . . . . . . . 4147 1 567 . 1 1 56 56 GLY HA2 H 1 4.221 . . 2 . . . . . . . . 4147 1 568 . 1 1 56 56 GLY C C 13 174.188 . . 1 . . . . . . . . 4147 1 569 . 1 1 56 56 GLY CA C 13 45.602 . . 1 . . . . . . . . 4147 1 570 . 1 1 56 56 GLY N N 15 111.335 . . 1 . . . . . . . . 4147 1 571 . 1 1 57 57 GLU H H 1 7.797 . . 1 . . . . . . . . 4147 1 572 . 1 1 57 57 GLU HA H 1 4.243 . . 1 . . . . . . . . 4147 1 573 . 1 1 57 57 GLU HB2 H 1 1.916 . . 2 . . . . . . . . 4147 1 574 . 1 1 57 57 GLU HB3 H 1 2.038 . . 2 . . . . . . . . 4147 1 575 . 1 1 57 57 GLU HG2 H 1 2.230 . . 1 . . . . . . . . 4147 1 576 . 1 1 57 57 GLU HG3 H 1 2.230 . . 1 . . . . . . . . 4147 1 577 . 1 1 57 57 GLU C C 13 176.189 . . 1 . . . . . . . . 4147 1 578 . 1 1 57 57 GLU CA C 13 57.037 . . 1 . . . . . . . . 4147 1 579 . 1 1 57 57 GLU CB C 13 30.744 . . 1 . . . . . . . . 4147 1 580 . 1 1 57 57 GLU CG C 13 36.455 . . 1 . . . . . . . . 4147 1 581 . 1 1 57 57 GLU N N 15 120.731 . . 1 . . . . . . . . 4147 1 582 . 1 1 58 58 THR H H 1 8.590 . . 1 . . . . . . . . 4147 1 583 . 1 1 58 58 THR HA H 1 5.115 . . 1 . . . . . . . . 4147 1 584 . 1 1 58 58 THR HB H 1 4.066 . . 1 . . . . . . . . 4147 1 585 . 1 1 58 58 THR HG21 H 1 1.280 . . 1 . . . . . . . . 4147 1 586 . 1 1 58 58 THR HG22 H 1 1.280 . . 1 . . . . . . . . 4147 1 587 . 1 1 58 58 THR HG23 H 1 1.280 . . 1 . . . . . . . . 4147 1 588 . 1 1 58 58 THR C C 13 174.300 . . 1 . . . . . . . . 4147 1 589 . 1 1 58 58 THR CA C 13 63.043 . . 1 . . . . . . . . 4147 1 590 . 1 1 58 58 THR CB C 13 69.381 . . 1 . . . . . . . . 4147 1 591 . 1 1 58 58 THR CG2 C 13 21.794 . . 1 . . . . . . . . 4147 1 592 . 1 1 58 58 THR N N 15 120.330 . . 1 . . . . . . . . 4147 1 593 . 1 1 59 59 VAL H H 1 8.877 . . 1 . . . . . . . . 4147 1 594 . 1 1 59 59 VAL HA H 1 4.981 . . 1 . . . . . . . . 4147 1 595 . 1 1 59 59 VAL HB H 1 2.152 . . 1 . . . . . . . . 4147 1 596 . 1 1 59 59 VAL HG11 H 1 0.497 . . 2 . . . . . . . . 4147 1 597 . 1 1 59 59 VAL HG12 H 1 0.497 . . 2 . . . . . . . . 4147 1 598 . 1 1 59 59 VAL HG13 H 1 0.497 . . 2 . . . . . . . . 4147 1 599 . 1 1 59 59 VAL HG21 H 1 0.595 . . 2 . . . . . . . . 4147 1 600 . 1 1 59 59 VAL HG22 H 1 0.595 . . 2 . . . . . . . . 4147 1 601 . 1 1 59 59 VAL HG23 H 1 0.595 . . 2 . . . . . . . . 4147 1 602 . 1 1 59 59 VAL C C 13 172.883 . . 1 . . . . . . . . 4147 1 603 . 1 1 59 59 VAL CA C 13 58.616 . . 1 . . . . . . . . 4147 1 604 . 1 1 59 59 VAL CB C 13 35.974 . . 1 . . . . . . . . 4147 1 605 . 1 1 59 59 VAL CG1 C 13 18.661 . . 2 . . . . . . . . 4147 1 606 . 1 1 59 59 VAL CG2 C 13 22.676 . . 2 . . . . . . . . 4147 1 607 . 1 1 59 59 VAL N N 15 118.354 . . 1 . . . . . . . . 4147 1 608 . 1 1 60 60 GLU H H 1 8.696 . . 1 . . . . . . . . 4147 1 609 . 1 1 60 60 GLU HA H 1 5.607 . . 1 . . . . . . . . 4147 1 610 . 1 1 60 60 GLU HB2 H 1 1.674 . . 2 . . . . . . . . 4147 1 611 . 1 1 60 60 GLU HB3 H 1 1.861 . . 2 . . . . . . . . 4147 1 612 . 1 1 60 60 GLU HG2 H 1 2.028 . . 1 . . . . . . . . 4147 1 613 . 1 1 60 60 GLU HG3 H 1 2.028 . . 1 . . . . . . . . 4147 1 614 . 1 1 60 60 GLU C C 13 175.256 . . 1 . . . . . . . . 4147 1 615 . 1 1 60 60 GLU CA C 13 54.315 . . 1 . . . . . . . . 4147 1 616 . 1 1 60 60 GLU CB C 13 34.329 . . 1 . . . . . . . . 4147 1 617 . 1 1 60 60 GLU CG C 13 37.744 . . 1 . . . . . . . . 4147 1 618 . 1 1 60 60 GLU N N 15 121.838 . . 1 . . . . . . . . 4147 1 619 . 1 1 61 61 PHE H H 1 8.932 . . 1 . . . . . . . . 4147 1 620 . 1 1 61 61 PHE HA H 1 5.153 . . 1 . . . . . . . . 4147 1 621 . 1 1 61 61 PHE HB2 H 1 3.148 . . 1 . . . . . . . . 4147 1 622 . 1 1 61 61 PHE HB3 H 1 3.148 . . 1 . . . . . . . . 4147 1 623 . 1 1 61 61 PHE C C 13 180.439 . . 1 . . . . . . . . 4147 1 624 . 1 1 61 61 PHE CA C 13 55.989 . . 1 . . . . . . . . 4147 1 625 . 1 1 61 61 PHE CB C 13 41.018 . . 1 . . . . . . . . 4147 1 626 . 1 1 61 61 PHE N N 15 120.120 . . 1 . . . . . . . . 4147 1 627 . 1 1 62 62 ASP H H 1 8.867 . . 1 . . . . . . . . 4147 1 628 . 1 1 62 62 ASP HA H 1 5.205 . . 1 . . . . . . . . 4147 1 629 . 1 1 62 62 ASP HB2 H 1 2.403 . . 2 . . . . . . . . 4147 1 630 . 1 1 62 62 ASP HB3 H 1 2.829 . . 2 . . . . . . . . 4147 1 631 . 1 1 62 62 ASP C C 13 175.414 . . 1 . . . . . . . . 4147 1 632 . 1 1 62 62 ASP CA C 13 52.330 . . 1 . . . . . . . . 4147 1 633 . 1 1 62 62 ASP CB C 13 43.018 . . 1 . . . . . . . . 4147 1 634 . 1 1 62 62 ASP N N 15 116.561 . . 1 . . . . . . . . 4147 1 635 . 1 1 63 63 VAL H H 1 9.052 . . 1 . . . . . . . . 4147 1 636 . 1 1 63 63 VAL HA H 1 4.879 . . 1 . . . . . . . . 4147 1 637 . 1 1 63 63 VAL HB H 1 1.874 . . 1 . . . . . . . . 4147 1 638 . 1 1 63 63 VAL HG11 H 1 1.041 . . 2 . . . . . . . . 4147 1 639 . 1 1 63 63 VAL HG12 H 1 1.041 . . 2 . . . . . . . . 4147 1 640 . 1 1 63 63 VAL HG13 H 1 1.041 . . 2 . . . . . . . . 4147 1 641 . 1 1 63 63 VAL HG21 H 1 0.914 . . 2 . . . . . . . . 4147 1 642 . 1 1 63 63 VAL HG22 H 1 0.914 . . 2 . . . . . . . . 4147 1 643 . 1 1 63 63 VAL HG23 H 1 0.914 . . 2 . . . . . . . . 4147 1 644 . 1 1 63 63 VAL C C 13 175.428 . . 1 . . . . . . . . 4147 1 645 . 1 1 63 63 VAL CA C 13 61.824 . . 1 . . . . . . . . 4147 1 646 . 1 1 63 63 VAL CB C 13 33.303 . . 1 . . . . . . . . 4147 1 647 . 1 1 63 63 VAL CG1 C 13 22.631 . . 1 . . . . . . . . 4147 1 648 . 1 1 63 63 VAL CG2 C 13 22.631 . . 1 . . . . . . . . 4147 1 649 . 1 1 63 63 VAL N N 15 120.585 . . 1 . . . . . . . . 4147 1 650 . 1 1 64 64 VAL H H 1 9.549 . . 1 . . . . . . . . 4147 1 651 . 1 1 64 64 VAL HA H 1 5.242 . . 1 . . . . . . . . 4147 1 652 . 1 1 64 64 VAL HB H 1 2.029 . . 1 . . . . . . . . 4147 1 653 . 1 1 64 64 VAL HG11 H 1 0.836 . . 2 . . . . . . . . 4147 1 654 . 1 1 64 64 VAL HG12 H 1 0.836 . . 2 . . . . . . . . 4147 1 655 . 1 1 64 64 VAL HG13 H 1 0.836 . . 2 . . . . . . . . 4147 1 656 . 1 1 64 64 VAL HG21 H 1 0.781 . . 2 . . . . . . . . 4147 1 657 . 1 1 64 64 VAL HG22 H 1 0.781 . . 2 . . . . . . . . 4147 1 658 . 1 1 64 64 VAL HG23 H 1 0.781 . . 2 . . . . . . . . 4147 1 659 . 1 1 64 64 VAL C C 13 174.564 . . 1 . . . . . . . . 4147 1 660 . 1 1 64 64 VAL CA C 13 58.612 . . 1 . . . . . . . . 4147 1 661 . 1 1 64 64 VAL CB C 13 35.371 . . 1 . . . . . . . . 4147 1 662 . 1 1 64 64 VAL CG1 C 13 21.680 . . 1 . . . . . . . . 4147 1 663 . 1 1 64 64 VAL CG2 C 13 19.792 . . 1 . . . . . . . . 4147 1 664 . 1 1 64 64 VAL N N 15 122.003 . . 1 . . . . . . . . 4147 1 665 . 1 1 65 65 GLU H H 1 8.704 . . 1 . . . . . . . . 4147 1 666 . 1 1 65 65 GLU HA H 1 4.406 . . 1 . . . . . . . . 4147 1 667 . 1 1 65 65 GLU HB2 H 1 1.913 . . 2 . . . . . . . . 4147 1 668 . 1 1 65 65 GLU HB3 H 1 2.117 . . 2 . . . . . . . . 4147 1 669 . 1 1 65 65 GLU HG2 H 1 2.208 . . 1 . . . . . . . . 4147 1 670 . 1 1 65 65 GLU HG3 H 1 2.208 . . 1 . . . . . . . . 4147 1 671 . 1 1 65 65 GLU C C 13 176.102 . . 1 . . . . . . . . 4147 1 672 . 1 1 65 65 GLU CA C 13 56.496 . . 1 . . . . . . . . 4147 1 673 . 1 1 65 65 GLU CB C 13 31.075 . . 1 . . . . . . . . 4147 1 674 . 1 1 65 65 GLU CG C 13 36.673 . . 1 . . . . . . . . 4147 1 675 . 1 1 65 65 GLU N N 15 121.765 . . 1 . . . . . . . . 4147 1 676 . 1 1 66 66 GLY H H 1 7.972 . . 1 . . . . . . . . 4147 1 677 . 1 1 66 66 GLY HA3 H 1 3.918 . . 2 . . . . . . . . 4147 1 678 . 1 1 66 66 GLY HA2 H 1 4.520 . . 2 . . . . . . . . 4147 1 679 . 1 1 66 66 GLY C C 13 174.756 . . 1 . . . . . . . . 4147 1 680 . 1 1 66 66 GLY CA C 13 43.969 . . 1 . . . . . . . . 4147 1 681 . 1 1 66 66 GLY N N 15 114.026 . . 1 . . . . . . . . 4147 1 682 . 1 1 67 67 GLU H H 1 8.968 . . 1 . . . . . . . . 4147 1 683 . 1 1 67 67 GLU HA H 1 4.030 . . 1 . . . . . . . . 4147 1 684 . 1 1 67 67 GLU HB2 H 1 1.994 . . 1 . . . . . . . . 4147 1 685 . 1 1 67 67 GLU HB3 H 1 1.994 . . 1 . . . . . . . . 4147 1 686 . 1 1 67 67 GLU HG2 H 1 2.284 . . 1 . . . . . . . . 4147 1 687 . 1 1 67 67 GLU HG3 H 1 2.284 . . 1 . . . . . . . . 4147 1 688 . 1 1 67 67 GLU C C 13 178.045 . . 1 . . . . . . . . 4147 1 689 . 1 1 67 67 GLU CA C 13 59.318 . . 1 . . . . . . . . 4147 1 690 . 1 1 67 67 GLU CB C 13 30.004 . . 1 . . . . . . . . 4147 1 691 . 1 1 67 67 GLU CG C 13 36.469 . . 1 . . . . . . . . 4147 1 692 . 1 1 67 67 GLU N N 15 120.735 . . 1 . . . . . . . . 4147 1 693 . 1 1 68 68 LYS H H 1 8.640 . . 1 . . . . . . . . 4147 1 694 . 1 1 68 68 LYS HA H 1 4.483 . . 1 . . . . . . . . 4147 1 695 . 1 1 68 68 LYS HB2 H 1 1.460 . . 2 . . . . . . . . 4147 1 696 . 1 1 68 68 LYS HB3 H 1 1.848 . . 2 . . . . . . . . 4147 1 697 . 1 1 68 68 LYS HG2 H 1 1.163 . . 1 . . . . . . . . 4147 1 698 . 1 1 68 68 LYS HG3 H 1 1.163 . . 1 . . . . . . . . 4147 1 699 . 1 1 68 68 LYS HD2 H 1 1.361 . . 1 . . . . . . . . 4147 1 700 . 1 1 68 68 LYS HD3 H 1 1.361 . . 1 . . . . . . . . 4147 1 701 . 1 1 68 68 LYS HE2 H 1 2.779 . . 1 . . . . . . . . 4147 1 702 . 1 1 68 68 LYS HE3 H 1 2.779 . . 1 . . . . . . . . 4147 1 703 . 1 1 68 68 LYS C C 13 175.868 . . 1 . . . . . . . . 4147 1 704 . 1 1 68 68 LYS CA C 13 54.788 . . 1 . . . . . . . . 4147 1 705 . 1 1 68 68 LYS CB C 13 32.277 . . 1 . . . . . . . . 4147 1 706 . 1 1 68 68 LYS CG C 13 24.823 . . 1 . . . . . . . . 4147 1 707 . 1 1 68 68 LYS CD C 13 28.729 . . 1 . . . . . . . . 4147 1 708 . 1 1 68 68 LYS CE C 13 42.027 . . 1 . . . . . . . . 4147 1 709 . 1 1 68 68 LYS N N 15 116.484 . . 1 . . . . . . . . 4147 1 710 . 1 1 69 69 GLY H H 1 7.389 . . 1 . . . . . . . . 4147 1 711 . 1 1 69 69 GLY HA3 H 1 3.787 . . 2 . . . . . . . . 4147 1 712 . 1 1 69 69 GLY HA2 H 1 4.441 . . 2 . . . . . . . . 4147 1 713 . 1 1 69 69 GLY C C 13 173.412 . . 1 . . . . . . . . 4147 1 714 . 1 1 69 69 GLY CA C 13 44.244 . . 1 . . . . . . . . 4147 1 715 . 1 1 69 69 GLY N N 15 107.960 . . 1 . . . . . . . . 4147 1 716 . 1 1 70 70 ALA H H 1 8.607 . . 1 . . . . . . . . 4147 1 717 . 1 1 70 70 ALA HA H 1 4.756 . . 1 . . . . . . . . 4147 1 718 . 1 1 70 70 ALA HB1 H 1 1.427 . . 1 . . . . . . . . 4147 1 719 . 1 1 70 70 ALA HB2 H 1 1.427 . . 1 . . . . . . . . 4147 1 720 . 1 1 70 70 ALA HB3 H 1 1.427 . . 1 . . . . . . . . 4147 1 721 . 1 1 70 70 ALA C C 13 177.841 . . 1 . . . . . . . . 4147 1 722 . 1 1 70 70 ALA CA C 13 52.860 . . 1 . . . . . . . . 4147 1 723 . 1 1 70 70 ALA CB C 13 19.311 . . 1 . . . . . . . . 4147 1 724 . 1 1 70 70 ALA N N 15 124.693 . . 1 . . . . . . . . 4147 1 725 . 1 1 71 71 GLU H H 1 9.417 . . 1 . . . . . . . . 4147 1 726 . 1 1 71 71 GLU HA H 1 5.336 . . 1 . . . . . . . . 4147 1 727 . 1 1 71 71 GLU HB2 H 1 2.172 . . 1 . . . . . . . . 4147 1 728 . 1 1 71 71 GLU HB3 H 1 2.172 . . 1 . . . . . . . . 4147 1 729 . 1 1 71 71 GLU C C 13 174.142 . . 1 . . . . . . . . 4147 1 730 . 1 1 71 71 GLU CA C 13 54.376 . . 1 . . . . . . . . 4147 1 731 . 1 1 71 71 GLU CB C 13 34.007 . . 1 . . . . . . . . 4147 1 732 . 1 1 71 71 GLU CG C 13 36.213 . . 1 . . . . . . . . 4147 1 733 . 1 1 71 71 GLU N N 15 120.582 . . 1 . . . . . . . . 4147 1 734 . 1 1 72 72 ALA H H 1 8.835 . . 1 . . . . . . . . 4147 1 735 . 1 1 72 72 ALA HA H 1 5.268 . . 1 . . . . . . . . 4147 1 736 . 1 1 72 72 ALA HB1 H 1 1.119 . . 1 . . . . . . . . 4147 1 737 . 1 1 72 72 ALA HB2 H 1 1.119 . . 1 . . . . . . . . 4147 1 738 . 1 1 72 72 ALA HB3 H 1 1.119 . . 1 . . . . . . . . 4147 1 739 . 1 1 72 72 ALA C C 13 177.139 . . 1 . . . . . . . . 4147 1 740 . 1 1 72 72 ALA CA C 13 50.827 . . 1 . . . . . . . . 4147 1 741 . 1 1 72 72 ALA CB C 13 21.175 . . 1 . . . . . . . . 4147 1 742 . 1 1 72 72 ALA N N 15 122.371 . . 1 . . . . . . . . 4147 1 743 . 1 1 73 73 ALA H H 1 9.342 . . 1 . . . . . . . . 4147 1 744 . 1 1 73 73 ALA HA H 1 4.764 . . 1 . . . . . . . . 4147 1 745 . 1 1 73 73 ALA HB1 H 1 1.397 . . 1 . . . . . . . . 4147 1 746 . 1 1 73 73 ALA HB2 H 1 1.397 . . 1 . . . . . . . . 4147 1 747 . 1 1 73 73 ALA HB3 H 1 1.397 . . 1 . . . . . . . . 4147 1 748 . 1 1 73 73 ALA C C 13 175.696 . . 1 . . . . . . . . 4147 1 749 . 1 1 73 73 ALA CA C 13 50.782 . . 1 . . . . . . . . 4147 1 750 . 1 1 73 73 ALA CB C 13 24.057 . . 1 . . . . . . . . 4147 1 751 . 1 1 73 73 ALA N N 15 122.550 . . 1 . . . . . . . . 4147 1 752 . 1 1 74 74 ASN H H 1 9.251 . . 1 . . . . . . . . 4147 1 753 . 1 1 74 74 ASN HA H 1 4.209 . . 1 . . . . . . . . 4147 1 754 . 1 1 74 74 ASN HB2 H 1 2.943 . . 1 . . . . . . . . 4147 1 755 . 1 1 74 74 ASN HB3 H 1 2.943 . . 1 . . . . . . . . 4147 1 756 . 1 1 74 74 ASN C C 13 173.716 . . 1 . . . . . . . . 4147 1 757 . 1 1 74 74 ASN CA C 13 54.325 . . 1 . . . . . . . . 4147 1 758 . 1 1 74 74 ASN CB C 13 37.157 . . 1 . . . . . . . . 4147 1 759 . 1 1 74 74 ASN N N 15 118.032 . . 1 . . . . . . . . 4147 1 760 . 1 1 75 75 VAL H H 1 8.272 . . 1 . . . . . . . . 4147 1 761 . 1 1 75 75 VAL HA H 1 4.483 . . 1 . . . . . . . . 4147 1 762 . 1 1 75 75 VAL HB H 1 2.870 . . 1 . . . . . . . . 4147 1 763 . 1 1 75 75 VAL HG11 H 1 0.642 . . 2 . . . . . . . . 4147 1 764 . 1 1 75 75 VAL HG12 H 1 0.642 . . 2 . . . . . . . . 4147 1 765 . 1 1 75 75 VAL HG13 H 1 0.642 . . 2 . . . . . . . . 4147 1 766 . 1 1 75 75 VAL C C 13 176.363 . . 1 . . . . . . . . 4147 1 767 . 1 1 75 75 VAL CA C 13 63.063 . . 1 . . . . . . . . 4147 1 768 . 1 1 75 75 VAL CB C 13 31.641 . . 1 . . . . . . . . 4147 1 769 . 1 1 75 75 VAL CG1 C 13 21.688 . . 2 . . . . . . . . 4147 1 770 . 1 1 75 75 VAL N N 15 117.135 . . 1 . . . . . . . . 4147 1 771 . 1 1 76 76 THR H H 1 9.506 . . 1 . . . . . . . . 4147 1 772 . 1 1 76 76 THR HA H 1 4.737 . . 1 . . . . . . . . 4147 1 773 . 1 1 76 76 THR HB H 1 4.257 . . 1 . . . . . . . . 4147 1 774 . 1 1 76 76 THR HG21 H 1 1.209 . . 1 . . . . . . . . 4147 1 775 . 1 1 76 76 THR HG22 H 1 1.209 . . 1 . . . . . . . . 4147 1 776 . 1 1 76 76 THR HG23 H 1 1.209 . . 1 . . . . . . . . 4147 1 777 . 1 1 76 76 THR C C 13 173.747 . . 1 . . . . . . . . 4147 1 778 . 1 1 76 76 THR CA C 13 60.506 . . 1 . . . . . . . . 4147 1 779 . 1 1 76 76 THR CB C 13 71.534 . . 1 . . . . . . . . 4147 1 780 . 1 1 76 76 THR CG2 C 13 20.224 . . 1 . . . . . . . . 4147 1 781 . 1 1 76 76 THR N N 15 121.561 . . 1 . . . . . . . . 4147 1 782 . 1 1 77 77 GLY H H 1 8.257 . . 1 . . . . . . . . 4147 1 783 . 1 1 77 77 GLY HA3 H 1 3.864 . . 2 . . . . . . . . 4147 1 784 . 1 1 77 77 GLY HA2 H 1 4.615 . . 2 . . . . . . . . 4147 1 785 . 1 1 77 77 GLY CA C 13 44.565 . . 1 . . . . . . . . 4147 1 786 . 1 1 77 77 GLY N N 15 108.796 . . 1 . . . . . . . . 4147 1 787 . 1 1 78 78 PRO HA H 1 4.453 . . 1 . . . . . . . . 4147 1 788 . 1 1 78 78 PRO HB2 H 1 2.025 . . 2 . . . . . . . . 4147 1 789 . 1 1 78 78 PRO HB3 H 1 2.155 . . 2 . . . . . . . . 4147 1 790 . 1 1 78 78 PRO HG2 H 1 2.079 . . 2 . . . . . . . . 4147 1 791 . 1 1 78 78 PRO HG3 H 1 1.883 . . 2 . . . . . . . . 4147 1 792 . 1 1 78 78 PRO HD2 H 1 3.767 . . 2 . . . . . . . . 4147 1 793 . 1 1 78 78 PRO HD3 H 1 3.658 . . 2 . . . . . . . . 4147 1 794 . 1 1 78 78 PRO C C 13 176.646 . . 1 . . . . . . . . 4147 1 795 . 1 1 78 78 PRO CA C 13 63.360 . . 1 . . . . . . . . 4147 1 796 . 1 1 78 78 PRO CB C 13 32.370 . . 1 . . . . . . . . 4147 1 797 . 1 1 78 78 PRO CG C 13 27.260 . . 1 . . . . . . . . 4147 1 798 . 1 1 78 78 PRO CD C 13 49.896 . . 1 . . . . . . . . 4147 1 799 . 1 1 79 79 GLY H H 1 8.219 . . 1 . . . . . . . . 4147 1 800 . 1 1 79 79 GLY HA3 H 1 3.201 . . 2 . . . . . . . . 4147 1 801 . 1 1 79 79 GLY HA2 H 1 3.748 . . 2 . . . . . . . . 4147 1 802 . 1 1 79 79 GLY CA C 13 46.432 . . 1 . . . . . . . . 4147 1 803 . 1 1 79 79 GLY N N 15 115.285 . . 1 . . . . . . . . 4147 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_one _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_one _Coupling_constant_list.Entry_ID 4147 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details ; Correction factor: 5% 3Jhnha ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4147 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 LYS HA . . . . 1 1 3 3 LYS H . . . 5.60 . . . . . . . . . . . . . . 4147 1 2 3JHNHA . 1 1 4 4 VAL HA . . . . 1 1 4 4 VAL H . . . 7.20 . . . . . . . . . . . . . . 4147 1 3 3JHNHA . 1 1 5 5 ILE HA . . . . 1 1 5 5 ILE H . . . 9.60 . . . . . . . . . . . . . . 4147 1 4 3JHNHA . 1 1 6 6 ALA HA . . . . 1 1 6 6 ALA H . . . 6.90 . . . . . . . . . . . . . . 4147 1 5 3JHNHA . 1 1 7 7 THR HA . . . . 1 1 7 7 THR H . . . 9.60 . . . . . . . . . . . . . . 4147 1 6 3JHNHA . 1 1 8 8 LYS HA . . . . 1 1 8 8 LYS H . . . 6.90 . . . . . . . . . . . . . . 4147 1 7 3JHNHA . 1 1 9 9 VAL HA . . . . 1 1 9 9 VAL H . . . 9.00 . . . . . . . . . . . . . . 4147 1 8 3JHNHA . 1 1 10 10 LEU HA . . . . 1 1 10 10 LEU H . . . 8.80 . . . . . . . . . . . . . . 4147 1 9 3JHNHA . 1 1 11 11 GLY HA . . . . 1 1 11 11 GLY H . . . 6.90 . . . . . . . . . . . . . . 4147 1 10 3JHNHA . 1 1 12 12 THR HA . . . . 1 1 12 12 THR H . . . 10.10 . . . . . . . . . . . . . . 4147 1 11 3JHNHA . 1 1 13 13 VAL HA . . . . 1 1 13 13 VAL H . . . 8.00 . . . . . . . . . . . . . . 4147 1 12 3JHNHA . 1 1 16 16 PHE HA . . . . 1 1 16 16 PHE H . . . 7.20 . . . . . . . . . . . . . . 4147 1 13 3JHNHA . 1 1 19 19 ARG HA . . . . 1 1 19 19 ARG H . . . 5.60 . . . . . . . . . . . . . . 4147 1 14 3JHNHA . 1 1 20 20 ASN HA . . . . 1 1 20 20 ASN H . . . 11.30 . . . . . . . . . . . . . . 4147 1 15 3JHNHA . 1 1 21 21 GLY HA2 . . . . 1 1 21 21 GLY H . . . 5.70 . . . . . . . . . . . . . . 4147 1 16 3JHNHA . 1 1 21 21 GLY HA3 . . . . 1 1 21 21 GLY H . . . 6.00 . . . . . . . . . . . . . . 4147 1 17 3JHNHA . 1 1 23 23 GLY HA . . . . 1 1 23 23 GLY H . . . 7.50 . . . . . . . . . . . . . . 4147 1 18 3JHNHA . 1 1 24 24 PHE HA . . . . 1 1 24 24 PHE H . . . 8.40 . . . . . . . . . . . . . . 4147 1 19 3JHNHA . 1 1 25 25 ILE HA . . . . 1 1 25 25 ILE H . . . 9.50 . . . . . . . . . . . . . . 4147 1 20 3JHNHA . 1 1 26 26 ASN HA . . . . 1 1 26 26 ASN H . . . 8.60 . . . . . . . . . . . . . . 4147 1 21 3JHNHA . 1 1 27 27 ARG HA . . . . 1 1 27 27 ARG H . . . 5.20 . . . . . . . . . . . . . . 4147 1 22 3JHNHA . 1 1 28 28 ASN HA . . . . 1 1 28 28 ASN H . . . 3.60 . . . . . . . . . . . . . . 4147 1 23 3JHNHA . 1 1 29 29 ASP HA . . . . 1 1 29 29 ASP H . . . 6.90 . . . . . . . . . . . . . . 4147 1 24 3JHNHA . 1 1 30 30 THR HA . . . . 1 1 30 30 THR H . . . 6.20 . . . . . . . . . . . . . . 4147 1 25 3JHNHA . 1 1 31 31 LYS HA . . . . 1 1 31 31 LYS H . . . 7.10 . . . . . . . . . . . . . . 4147 1 26 3JHNHA . 1 1 32 32 GLU HA . . . . 1 1 32 32 GLU H . . . 8.20 . . . . . . . . . . . . . . 4147 1 27 3JHNHA . 1 1 33 33 ASP HA . . . . 1 1 33 33 ASP H . . . 6.90 . . . . . . . . . . . . . . 4147 1 28 3JHNHA . 1 1 34 34 VAL HA . . . . 1 1 34 34 VAL H . . . 9.00 . . . . . . . . . . . . . . 4147 1 29 3JHNHA . 1 1 35 35 PHE HA . . . . 1 1 35 35 PHE H . . . 3.70 . . . . . . . . . . . . . . 4147 1 30 3JHNHA . 1 1 36 36 VAL HA . . . . 1 1 36 36 VAL H . . . 8.00 . . . . . . . . . . . . . . 4147 1 31 3JHNHA . 1 1 37 37 HIS HA . . . . 1 1 37 37 HIS H . . . 8.90 . . . . . . . . . . . . . . 4147 1 32 3JHNHA . 1 1 38 38 GLN HA . . . . 1 1 38 38 GLN H . . . 2.50 . . . . . . . . . . . . . . 4147 1 33 3JHNHA . 1 1 40 40 ALA HA . . . . 1 1 40 40 ALA H . . . 7.50 . . . . . . . . . . . . . . 4147 1 34 3JHNHA . 1 1 41 41 ILE HA . . . . 1 1 41 41 ILE H . . . 6.70 . . . . . . . . . . . . . . 4147 1 35 3JHNHA . 1 1 42 42 LYS HA . . . . 1 1 42 42 LYS H . . . 7.10 . . . . . . . . . . . . . . 4147 1 36 3JHNHA . 1 1 43 43 LYS HA . . . . 1 1 43 43 LYS H . . . 7.30 . . . . . . . . . . . . . . 4147 1 37 3JHNHA . 1 1 47 47 ARG HA . . . . 1 1 47 47 ARG H . . . 9.00 . . . . . . . . . . . . . . 4147 1 38 3JHNHA . 1 1 48 48 LYS HA . . . . 1 1 48 48 LYS H . . . 7.30 . . . . . . . . . . . . . . 4147 1 39 3JHNHA . 1 1 50 50 LEU HA . . . . 1 1 50 50 LEU H . . . 6.90 . . . . . . . . . . . . . . 4147 1 40 3JHNHA . 1 1 53 53 VAL HA . . . . 1 1 53 53 VAL H . . . 9.60 . . . . . . . . . . . . . . 4147 1 41 3JHNHA . 1 1 54 54 GLY HA . . . . 1 1 54 54 GLY H . . . 7.50 . . . . . . . . . . . . . . 4147 1 42 3JHNHA . 1 1 55 55 ASP HA . . . . 1 1 55 55 ASP H . . . 2.40 . . . . . . . . . . . . . . 4147 1 43 3JHNHA . 1 1 56 56 GLY HA2 . . . . 1 1 56 56 GLY H . . . 6.60 . . . . . . . . . . . . . . 4147 1 44 3JHNHA . 1 1 56 56 GLY HA3 . . . . 1 1 56 56 GLY H . . . 5.20 . . . . . . . . . . . . . . 4147 1 45 3JHNHA . 1 1 57 57 GLU HA . . . . 1 1 57 57 GLU H . . . 5.20 . . . . . . . . . . . . . . 4147 1 46 3JHNHA . 1 1 58 58 THR HA . . . . 1 1 58 58 THR H . . . 8.10 . . . . . . . . . . . . . . 4147 1 47 3JHNHA . 1 1 59 59 VAL HA . . . . 1 1 59 59 VAL H . . . 9.60 . . . . . . . . . . . . . . 4147 1 48 3JHNHA . 1 1 60 60 GLU HA . . . . 1 1 60 60 GLU H . . . 7.10 . . . . . . . . . . . . . . 4147 1 49 3JHNHA . 1 1 61 61 PHE HA . . . . 1 1 61 61 PHE H . . . 7.40 . . . . . . . . . . . . . . 4147 1 50 3JHNHA . 1 1 62 62 ASP HA . . . . 1 1 62 62 ASP H . . . 6.20 . . . . . . . . . . . . . . 4147 1 51 3JHNHA . 1 1 63 63 VAL HA . . . . 1 1 63 63 VAL H . . . 9.50 . . . . . . . . . . . . . . 4147 1 52 3JHNHA . 1 1 64 64 VAL HA . . . . 1 1 64 64 VAL H . . . 10.20 . . . . . . . . . . . . . . 4147 1 53 3JHNHA . 1 1 65 65 GLU HA . . . . 1 1 65 65 GLU H . . . 6.30 . . . . . . . . . . . . . . 4147 1 54 3JHNHA . 1 1 66 66 GLY HA2 . . . . 1 1 66 66 GLY H . . . 9.30 . . . . . . . . . . . . . . 4147 1 55 3JHNHA . 1 1 66 66 GLY HA3 . . . . 1 1 66 66 GLY H . . . 2.80 . . . . . . . . . . . . . . 4147 1 56 3JHNHA . 1 1 67 67 GLU HA . . . . 1 1 67 67 GLU H . . . 8.30 . . . . . . . . . . . . . . 4147 1 57 3JHNHA . 1 1 68 68 LYS HA . . . . 1 1 68 68 LYS H . . . 9.40 . . . . . . . . . . . . . . 4147 1 58 3JHNHA . 1 1 69 69 GLY HA2 . . . . 1 1 69 69 GLY H . . . 8.50 . . . . . . . . . . . . . . 4147 1 59 3JHNHA . 1 1 69 69 GLY HA3 . . . . 1 1 69 69 GLY H . . . 3.70 . . . . . . . . . . . . . . 4147 1 60 3JHNHA . 1 1 70 70 ALA HA . . . . 1 1 70 70 ALA H . . . 3.60 . . . . . . . . . . . . . . 4147 1 61 3JHNHA . 1 1 71 71 GLU HA . . . . 1 1 71 71 GLU H . . . 8.90 . . . . . . . . . . . . . . 4147 1 62 3JHNHA . 1 1 72 72 ALA HA . . . . 1 1 72 72 ALA H . . . 6.40 . . . . . . . . . . . . . . 4147 1 63 3JHNHA . 1 1 73 73 ALA HA . . . . 1 1 73 73 ALA H . . . 9.00 . . . . . . . . . . . . . . 4147 1 64 3JHNHA . 1 1 74 74 ASN HA . . . . 1 1 74 74 ASN H . . . 6.30 . . . . . . . . . . . . . . 4147 1 65 3JHNHA . 1 1 75 75 VAL HA . . . . 1 1 75 75 VAL H . . . 6.20 . . . . . . . . . . . . . . 4147 1 66 3JHNHA . 1 1 76 76 THR HA . . . . 1 1 76 76 THR H . . . 6.30 . . . . . . . . . . . . . . 4147 1 67 3JHNHA . 1 1 77 77 GLY HA2 . . . . 1 1 77 77 GLY H . . . 6.80 . . . . . . . . . . . . . . 4147 1 68 3JHNHA . 1 1 77 77 GLY HA3 . . . . 1 1 77 77 GLY H . . . 4.00 . . . . . . . . . . . . . . 4147 1 69 3JHNHA . 1 1 79 79 GLY HA2 . . . . 1 1 79 79 GLY H . . . 8.40 . . . . . . . . . . . . . . 4147 1 70 3JHNHA . 1 1 79 79 GLY HA3 . . . . 1 1 79 79 GLY H . . . 1.80 . . . . . . . . . . . . . . 4147 1 stop_ save_