data_4200 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4200 _Entry.Title ; NMR Solution Structure of the c-Myc-Max Heterodimeric Leucine Zipper ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-09-10 _Entry.Accession_date 1998-09-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 P. Lavigne . . . 4200 2 M. Crump . P. . 4200 3 S. Gagne . M. . 4200 4 R. Hodges . S. . 4200 5 C. Kay . M. . 4200 6 B. Sykes . D. . 4200 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4200 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 377 4200 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 4 . . 2014-01-09 . update BMRB 'Updating non-standard residue' 4200 3 . . 2008-07-10 . update BMRB 'Updating non-standard residue' 4200 2 . . 2006-09-22 . update BMRB 'Updated non-standard residue nomenclature' 4200 1 . . 2008-03-24 . original author . 4200 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4200 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98347001 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Insights into the Mechanism of Heterodimerization from the 1H-NMR Solution Structure of the c-Myc-Max Heterodimeric Leucine Zipper ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 165 _Citation.Page_last 181 _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 P. Lavigne . . . 4200 1 2 M. Crump . P. . 4200 1 3 S. Gagne . M. . 4200 1 4 R. Hodges . S. . 4200 1 5 C. Kay . M. . 4200 1 6 B. Sykes . D. . 4200 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2D NMR' 4200 1 'buried salt bridge' 4200 1 H-bonds 4200 1 'Leucine Zippers' 4200 1 'solution structure' 4200 1 stop_ save_ save_reference_one _Citation.Sf_category citations _Citation.Sf_framecode reference_one _Citation.Entry_ID 4200 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _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 D. Wishart D. S. . 4200 2 2 C. Bigam C. G. . 4200 2 3 J. Yao J. . . 4200 2 4 F. Abildgaard F. . . 4200 2 5 H. Dyson H. J. . 4200 2 6 E. Oldfield E. . . 4200 2 7 J. Markley J. L. . 4200 2 8 B. Sykes B. D. . 4200 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_c-Myc-Max_LZ_Leucine_Zipper _Assembly.Sf_category assembly _Assembly.Sf_framecode system_c-Myc-Max_LZ_Leucine_Zipper _Assembly.Entry_ID 4200 _Assembly.ID 1 _Assembly.Name 'c-Myc-Max Heterodimeric Leucine Zipper' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; c-Myc LZ, (chain A) Leucine Zipper domain of c-Myc Max LZ, (chain B) Leucine Zipper domain of Max ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID heterodimer 4200 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 'c-Myc LZ Chain A' 1 $c-Myc-Max_Leucine_Zipper_Chain_A . . . native . . . . . 4200 1 2 'Max LZ Chain B' 2 $Max_Leucine_Zipper_Chain_B . . . native . . . . . 4200 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'c-Myc-Max Heterodimeric Leucine Zipper' system 4200 1 'c-Myc-Max LZ Leucine Zipper' abbreviation 4200 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factors (b-HLH-LZ)' 4200 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c-Myc-Max_Leucine_Zipper_Chain_A _Entity.Sf_category entity _Entity.Sf_framecode c-Myc-Max_Leucine_Zipper_Chain_A _Entity.Entry_ID 4200 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Leucine Zipper domain of c-Myc' _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 ; XCGGVQAEEQKLISEEDLLR KRREQLKHKLEQLX ; _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3846 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; There is a Cys-Gly-Gly linker at the N-terminus for cross-linking to the c-Myc LZ ; _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 PDB 1A93 . "Nmr Solution Structure Of The C-Myc-Max Heterodimeric Leucine Zipper, Nmr, Minimized Average Structure" . . . . . 94.12 34 100.00 100.00 5.76e-11 . . . . 4200 1 2 no PDB 2A93 . "Nmr Solution Structure Of The C-Myc-Max Heterodimeric Leucine Zipper, 40 Structures" . . . . . 94.12 34 100.00 100.00 5.76e-11 . . . . 4200 1 3 no DBJ BAA01374 . "p67 myc protein [Homo sapiens]" . . . . . 85.29 454 100.00 100.00 9.66e-08 . . . . 4200 1 4 no DBJ BAA01375 . "p64 myc protein [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 5 no DBJ BAG35731 . "unnamed protein product [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 6 no DBJ BAG64849 . "unnamed protein product [Homo sapiens]" . . . . . 85.29 420 100.00 100.00 8.78e-08 . . . . 4200 1 7 no DBJ BAI46221 . "Myc proto-oncogene protein [synthetic construct]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 8 no EMBL CAA23831 . "unnamed protein product [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 9 no EMBL CAA25015 . "myc oncogene [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 10 no EMBL CAA25106 . "48K protein [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 11 no GB AAA36340 . "c-myc protein, first expressed, partial [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 12 no GB AAA59880 . "c-myc protein [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 13 no GB AAA59881 . "c-myc protein, first translated, partial [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 14 no GB AAA59882 . "c-myc protein, second translated, partial [Homo sapiens]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 15 no GB AAA72907 . "unnamed protein product [Pan troglodytes]" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 16 no PRF 0903253A . "c-myc gene" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 17 no PRF 0907235A . "protein c-myc" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 18 no PRF 1001205A . "c-myc gene" . . . . . 85.29 440 100.00 100.00 1.02e-07 . . . . 4200 1 19 no PRF 2122337A . "myc protein" . . . . . 85.29 439 100.00 100.00 9.32e-08 . . . . 4200 1 20 no REF NP_001136266 . "myc proto-oncogene protein [Pan troglodytes]" . . . . . 85.29 454 100.00 100.00 7.35e-08 . . . . 4200 1 21 no REF NP_002458 . "myc proto-oncogene protein [Homo sapiens]" . . . . . 85.29 454 100.00 100.00 7.35e-08 . . . . 4200 1 22 no REF XP_003820503 . "PREDICTED: myc proto-oncogene protein [Pan paniscus]" . . . . . 85.29 439 100.00 100.00 9.14e-08 . . . . 4200 1 23 no REF XP_004047574 . "PREDICTED: myc proto-oncogene protein [Gorilla gorilla gorilla]" . . . . . 85.29 439 100.00 100.00 9.32e-08 . . . . 4200 1 24 no REF XP_008972161 . "PREDICTED: myc proto-oncogene protein [Pan paniscus]" . . . . . 85.29 439 100.00 100.00 9.14e-08 . . . . 4200 1 25 no SP A1YG22 . "RecName: Full=Myc proto-oncogene protein; AltName: Full=Proto-oncogene c-Myc; AltName: Full=Transcription factor p64" . . . . . 85.29 439 100.00 100.00 9.14e-08 . . . . 4200 1 26 no SP P01106 . "RecName: Full=Myc proto-oncogene protein; AltName: Full=Class E basic helix-loop-helix protein 39; Short=bHLHe39; AltName: Full" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 27 no SP P23583 . "RecName: Full=Myc proto-oncogene protein; AltName: Full=Proto-oncogene c-Myc; AltName: Full=Transcription factor p64" . . . . . 85.29 439 100.00 100.00 9.23e-08 . . . . 4200 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'c-Myc LZ' abbreviation 4200 1 'Leucine Zipper domain of c-Myc' common 4200 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 ACE . 4200 1 2 1 CYS . 4200 1 3 2 GLY . 4200 1 4 3 GLY . 4200 1 5 4 VAL . 4200 1 6 5 GLN . 4200 1 7 6 ALA . 4200 1 8 7 GLU . 4200 1 9 8 GLU . 4200 1 10 9 GLN . 4200 1 11 10 LYS . 4200 1 12 11 LEU . 4200 1 13 12 ILE . 4200 1 14 13 SER . 4200 1 15 14 GLU . 4200 1 16 15 GLU . 4200 1 17 16 ASP . 4200 1 18 17 LEU . 4200 1 19 18 LEU . 4200 1 20 19 ARG . 4200 1 21 20 LYS . 4200 1 22 21 ARG . 4200 1 23 22 ARG . 4200 1 24 23 GLU . 4200 1 25 24 GLN . 4200 1 26 25 LEU . 4200 1 27 26 LYS . 4200 1 28 27 HIS . 4200 1 29 28 LYS . 4200 1 30 29 LEU . 4200 1 31 30 GLU . 4200 1 32 31 GLN . 4200 1 33 32 LEU . 4200 1 34 33 NH2 . 4200 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 . ACE 1 1 4200 1 . CYS 2 2 4200 1 . GLY 3 3 4200 1 . GLY 4 4 4200 1 . VAL 5 5 4200 1 . GLN 6 6 4200 1 . ALA 7 7 4200 1 . GLU 8 8 4200 1 . GLU 9 9 4200 1 . GLN 10 10 4200 1 . LYS 11 11 4200 1 . LEU 12 12 4200 1 . ILE 13 13 4200 1 . SER 14 14 4200 1 . GLU 15 15 4200 1 . GLU 16 16 4200 1 . ASP 17 17 4200 1 . LEU 18 18 4200 1 . LEU 19 19 4200 1 . ARG 20 20 4200 1 . LYS 21 21 4200 1 . ARG 22 22 4200 1 . ARG 23 23 4200 1 . GLU 24 24 4200 1 . GLN 25 25 4200 1 . LEU 26 26 4200 1 . LYS 27 27 4200 1 . HIS 28 28 4200 1 . LYS 29 29 4200 1 . LEU 30 30 4200 1 . GLU 31 31 4200 1 . GLN 32 32 4200 1 . LEU 33 33 4200 1 . NH2 34 34 4200 1 stop_ save_ save_Max_Leucine_Zipper_Chain_B _Entity.Sf_category entity _Entity.Sf_framecode Max_Leucine_Zipper_Chain_B _Entity.Entry_ID 4200 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Max Leucine Zipper 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 ; XCGGMRRKNDTHQQDIDDLK RQNALLEQQVRALX ; _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3793 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; There is a Cys-Gly-Gly linker at the N-terminus for cross-linking to the c-myc LZ ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Max Leucine Zipper Domain' common 4200 2 'Max LZ' abbreviation 4200 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 ACE . 4200 2 2 1 CYS . 4200 2 3 2 GLY . 4200 2 4 3 GLY . 4200 2 5 4 MET . 4200 2 6 5 ARG . 4200 2 7 6 ARG . 4200 2 8 7 LYS . 4200 2 9 8 ASN . 4200 2 10 9 ASP . 4200 2 11 10 THR . 4200 2 12 11 HIS . 4200 2 13 12 GLN . 4200 2 14 13 GLN . 4200 2 15 14 ASP . 4200 2 16 15 ILE . 4200 2 17 16 ASP . 4200 2 18 17 ASP . 4200 2 19 18 LEU . 4200 2 20 19 LYS . 4200 2 21 20 ARG . 4200 2 22 21 GLN . 4200 2 23 22 ASN . 4200 2 24 23 ALA . 4200 2 25 24 LEU . 4200 2 26 25 LEU . 4200 2 27 26 GLU . 4200 2 28 27 GLN . 4200 2 29 28 GLN . 4200 2 30 29 VAL . 4200 2 31 30 ARG . 4200 2 32 31 ALA . 4200 2 33 32 LEU . 4200 2 34 33 NH2 . 4200 2 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 . ACE 1 1 4200 2 . CYS 2 2 4200 2 . GLY 3 3 4200 2 . GLY 4 4 4200 2 . MET 5 5 4200 2 . ARG 6 6 4200 2 . ARG 7 7 4200 2 . LYS 8 8 4200 2 . ASN 9 9 4200 2 . ASP 10 10 4200 2 . THR 11 11 4200 2 . HIS 12 12 4200 2 . GLN 13 13 4200 2 . GLN 14 14 4200 2 . ASP 15 15 4200 2 . ILE 16 16 4200 2 . ASP 17 17 4200 2 . ASP 18 18 4200 2 . LEU 19 19 4200 2 . LYS 20 20 4200 2 . ARG 21 21 4200 2 . GLN 22 22 4200 2 . ASN 23 23 4200 2 . ALA 24 24 4200 2 . LEU 25 25 4200 2 . LEU 26 26 4200 2 . GLU 27 27 4200 2 . GLN 28 28 4200 2 . GLN 29 29 4200 2 . VAL 30 30 4200 2 . ARG 31 31 4200 2 . ALA 32 32 4200 2 . LEU 33 33 4200 2 . NH2 34 34 4200 2 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 4200 _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 $c-Myc-Max_Leucine_Zipper_Chain_A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'c-Myc is a nuclear protein' . . 4200 1 2 2 $Max_Leucine_Zipper_Chain_B . 10090 organism . 'mus musculus' mouse . . Eukaryota Metazoa mus musculus . . . . . . . . . . . . . . . . . . 'Max is a nuclear protein' . . 4200 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 4200 _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 $c-Myc-Max_Leucine_Zipper_Chain_A . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4200 1 2 2 $Max_Leucine_Zipper_Chain_B . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4200 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 4200 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 4200 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 4200 ACE CC=O SMILES_CANONICAL CACTVS 3.341 4200 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4200 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 4200 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 4200 ACE O=CC SMILES ACDLabs 10.04 4200 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 4200 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4200 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 4200 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 4200 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 4200 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 4200 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 4200 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 4200 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 4200 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 4200 ACE 2 . SING C CH3 no N 2 . 4200 ACE 3 . SING C H no N 3 . 4200 ACE 4 . SING CH3 H1 no N 4 . 4200 ACE 5 . SING CH3 H2 no N 5 . 4200 ACE 6 . SING CH3 H3 no N 6 . 4200 ACE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 4200 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 4200 NH2 N SMILES ACDLabs 10.04 4200 NH2 [NH2] SMILES CACTVS 3.341 4200 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 4200 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 4200 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4200 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 4200 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 4200 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4200 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 4200 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 4200 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 4200 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 4200 NH2 2 . SING N HN2 no N 2 . 4200 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4200 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The sample is a heterodimer consisting of disulfide-linked Leucine Zipper domains of c-Myc (chain A) and Max (chain B) ; _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 'Leucine Zipper domain of c-Myc' . . . 1 $c-Myc-Max_Leucine_Zipper_Chain_A . . 1.0 . . mM . . . . 4200 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 4200 1 3 H2O . . . . . . . 90 . . % . . . . 4200 1 4 D2O . . . . . . . 10 . . % . . . . 4200 1 5 KCl . . . . . . . 50 . . mM . . . . 4200 1 6 DSS . . . . . . . 1 . . mM . . . . 4200 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4200 _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 'ionic strength' 0.1 . M 4200 1 pH 4.8 0.3 na 4200 1 temperature 298.15 0.2 K 4200 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4200 _Software.ID 1 _Software.Name VNMR _Software.Version 5.2 _Software.Details . 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 4200 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4200 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 4200 _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 Varian VXR . 500 . . . 4200 1 2 NMR_spectrometer_two Varian Unity . 600 . . . 4200 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 4200 _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 $NMR_applied_experiment_one . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4200 1 stop_ save_ save_NMR_applied_experiment_one _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment_one _NMR_spec_expt.Entry_ID 4200 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $VNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; NOESY TOCSY DQF-COSY ; save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4200 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 2 $reference_one . . . . 4200 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 4200 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4200 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 5 5 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 4200 1 2 . 1 1 5 5 VAL HA H 1 3.73 0.02 . 1 . . . . . . . . 4200 1 3 . 1 1 5 5 VAL HB H 1 2.25 0.02 . 1 . . . . . . . . 4200 1 4 . 1 1 5 5 VAL HG21 H 1 1.04 0.02 . 2 . . . . . . . . 4200 1 5 . 1 1 5 5 VAL HG22 H 1 1.04 0.02 . 2 . . . . . . . . 4200 1 6 . 1 1 5 5 VAL HG23 H 1 1.04 0.02 . 2 . . . . . . . . 4200 1 7 . 1 1 5 5 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 4200 1 8 . 1 1 5 5 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 4200 1 9 . 1 1 5 5 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 4200 1 10 . 1 1 6 6 GLN H H 1 8.35 0.02 . 1 . . . . . . . . 4200 1 11 . 1 1 6 6 GLN HA H 1 4.32 0.02 . 1 . . . . . . . . 4200 1 12 . 1 1 6 6 GLN HB2 H 1 2.13 0.02 . 1 . . . . . . . . 4200 1 13 . 1 1 6 6 GLN HB3 H 1 2.13 0.02 . 1 . . . . . . . . 4200 1 14 . 1 1 6 6 GLN HG2 H 1 2.58 0.02 . 1 . . . . . . . . 4200 1 15 . 1 1 6 6 GLN HG3 H 1 2.58 0.02 . 1 . . . . . . . . 4200 1 16 . 1 1 7 7 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 4200 1 17 . 1 1 7 7 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 4200 1 18 . 1 1 7 7 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4200 1 19 . 1 1 7 7 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4200 1 20 . 1 1 7 7 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4200 1 21 . 1 1 8 8 GLU H H 1 8.15 0.02 . 1 . . . . . . . . 4200 1 22 . 1 1 8 8 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4200 1 23 . 1 1 8 8 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 4200 1 24 . 1 1 8 8 GLU HG3 H 1 2.40 0.02 . 2 . . . . . . . . 4200 1 25 . 1 1 9 9 GLU H H 1 8.73 0.02 . 1 . . . . . . . . 4200 1 26 . 1 1 9 9 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 4200 1 27 . 1 1 9 9 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4200 1 28 . 1 1 9 9 GLU HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4200 1 29 . 1 1 9 9 GLU HG2 H 1 2.29 0.02 . 2 . . . . . . . . 4200 1 30 . 1 1 9 9 GLU HG3 H 1 2.53 0.02 . 2 . . . . . . . . 4200 1 31 . 1 1 10 10 GLN H H 1 8.36 0.02 . 1 . . . . . . . . 4200 1 32 . 1 1 10 10 GLN HA H 1 3.95 0.02 . 1 . . . . . . . . 4200 1 33 . 1 1 10 10 GLN HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4200 1 34 . 1 1 10 10 GLN HB3 H 1 2.34 0.02 . 2 . . . . . . . . 4200 1 35 . 1 1 10 10 GLN HG2 H 1 2.49 0.02 . 1 . . . . . . . . 4200 1 36 . 1 1 10 10 GLN HG3 H 1 2.49 0.02 . 1 . . . . . . . . 4200 1 37 . 1 1 11 11 LYS H H 1 8.69 0.02 . 1 . . . . . . . . 4200 1 38 . 1 1 11 11 LYS HA H 1 3.91 0.02 . 1 . . . . . . . . 4200 1 39 . 1 1 11 11 LYS HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4200 1 40 . 1 1 11 11 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4200 1 41 . 1 1 11 11 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 4200 1 42 . 1 1 11 11 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 4200 1 43 . 1 1 12 12 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 4200 1 44 . 1 1 12 12 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4200 1 45 . 1 1 12 12 LEU HB2 H 1 1.20 0.02 . 1 . . . . . . . . 4200 1 46 . 1 1 12 12 LEU HB3 H 1 1.87 0.02 . 4 . . . . . . . . 4200 1 47 . 1 1 12 12 LEU HG H 1 1.87 0.02 . 4 . . . . . . . . 4200 1 48 . 1 1 12 12 LEU HD11 H 1 0.98 0.02 . 1 . . . . . . . . 4200 1 49 . 1 1 12 12 LEU HD12 H 1 0.98 0.02 . 1 . . . . . . . . 4200 1 50 . 1 1 12 12 LEU HD13 H 1 0.98 0.02 . 1 . . . . . . . . 4200 1 51 . 1 1 12 12 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 4200 1 52 . 1 1 12 12 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 4200 1 53 . 1 1 12 12 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 4200 1 54 . 1 1 13 13 ILE H H 1 8.35 0.02 . 1 . . . . . . . . 4200 1 55 . 1 1 13 13 ILE HA H 1 3.62 0.02 . 1 . . . . . . . . 4200 1 56 . 1 1 13 13 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 4200 1 57 . 1 1 13 13 ILE HG12 H 1 1.33 0.02 . 1 . . . . . . . . 4200 1 58 . 1 1 13 13 ILE HG13 H 1 1.33 0.02 . 1 . . . . . . . . 4200 1 59 . 1 1 13 13 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 4200 1 60 . 1 1 13 13 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 4200 1 61 . 1 1 13 13 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 4200 1 62 . 1 1 13 13 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 4200 1 63 . 1 1 13 13 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 4200 1 64 . 1 1 13 13 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 4200 1 65 . 1 1 14 14 SER H H 1 7.95 0.02 . 1 . . . . . . . . 4200 1 66 . 1 1 14 14 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 4200 1 67 . 1 1 14 14 SER HB2 H 1 4.02 0.02 . 1 . . . . . . . . 4200 1 68 . 1 1 14 14 SER HB3 H 1 4.02 0.02 . 1 . . . . . . . . 4200 1 69 . 1 1 15 15 GLU H H 1 7.99 0.02 . 1 . . . . . . . . 4200 1 70 . 1 1 15 15 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 4200 1 71 . 1 1 15 15 GLU HB2 H 1 2.19 0.02 . 1 . . . . . . . . 4200 1 72 . 1 1 15 15 GLU HB3 H 1 2.19 0.02 . 1 . . . . . . . . 4200 1 73 . 1 1 16 16 GLU H H 1 8.69 0.02 . 1 . . . . . . . . 4200 1 74 . 1 1 16 16 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 4200 1 75 . 1 1 16 16 GLU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4200 1 76 . 1 1 16 16 GLU HB3 H 1 2.21 0.02 . 4 . . . . . . . . 4200 1 77 . 1 1 16 16 GLU HG2 H 1 2.25 0.02 . 4 . . . . . . . . 4200 1 78 . 1 1 16 16 GLU HG3 H 1 2.25 0.02 . 4 . . . . . . . . 4200 1 79 . 1 1 17 17 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 4200 1 80 . 1 1 17 17 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 4200 1 81 . 1 1 17 17 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4200 1 82 . 1 1 17 17 ASP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4200 1 83 . 1 1 18 18 LEU H H 1 7.87 0.02 . 1 . . . . . . . . 4200 1 84 . 1 1 18 18 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 4200 1 85 . 1 1 18 18 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4200 1 86 . 1 1 18 18 LEU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4200 1 87 . 1 1 18 18 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 4200 1 88 . 1 1 19 19 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 4200 1 89 . 1 1 19 19 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 4200 1 90 . 1 1 19 19 LEU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 4200 1 91 . 1 1 19 19 LEU HB3 H 1 1.31 0.02 . 1 . . . . . . . . 4200 1 92 . 1 1 19 19 LEU HG H 1 1.95 0.02 . 1 . . . . . . . . 4200 1 93 . 1 1 19 19 LEU HD11 H 1 1.04 0.02 . 1 . . . . . . . . 4200 1 94 . 1 1 19 19 LEU HD12 H 1 1.04 0.02 . 1 . . . . . . . . 4200 1 95 . 1 1 19 19 LEU HD13 H 1 1.04 0.02 . 1 . . . . . . . . 4200 1 96 . 1 1 19 19 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 4200 1 97 . 1 1 19 19 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 4200 1 98 . 1 1 19 19 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 4200 1 99 . 1 1 20 20 ARG H H 1 8.74 0.02 . 1 . . . . . . . . 4200 1 100 . 1 1 20 20 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 4200 1 101 . 1 1 20 20 ARG HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4200 1 102 . 1 1 20 20 ARG HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4200 1 103 . 1 1 20 20 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 4200 1 104 . 1 1 20 20 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 4200 1 105 . 1 1 20 20 ARG HD2 H 1 3.27 0.02 . 1 . . . . . . . . 4200 1 106 . 1 1 20 20 ARG HD3 H 1 3.27 0.02 . 1 . . . . . . . . 4200 1 107 . 1 1 22 22 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 4200 1 108 . 1 1 22 22 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . 4200 1 109 . 1 1 22 22 ARG HB2 H 1 2.00 0.02 . 4 . . . . . . . . 4200 1 110 . 1 1 22 22 ARG HB3 H 1 2.00 0.02 . 4 . . . . . . . . 4200 1 111 . 1 1 22 22 ARG HG2 H 1 2.00 0.02 . 4 . . . . . . . . 4200 1 112 . 1 1 22 22 ARG HG3 H 1 2.00 0.02 . 4 . . . . . . . . 4200 1 113 . 1 1 22 22 ARG HD2 H 1 3.14 0.02 . 2 . . . . . . . . 4200 1 114 . 1 1 22 22 ARG HD3 H 1 3.33 0.02 . 2 . . . . . . . . 4200 1 115 . 1 1 22 22 ARG HE H 1 7.37 0.02 . 1 . . . . . . . . 4200 1 116 . 1 1 23 23 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 4200 1 117 . 1 1 23 23 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 4200 1 118 . 1 1 23 23 ARG HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4200 1 119 . 1 1 23 23 ARG HB3 H 1 2.43 0.02 . 2 . . . . . . . . 4200 1 120 . 1 1 23 23 ARG HG2 H 1 1.43 0.02 . 2 . . . . . . . . 4200 1 121 . 1 1 23 23 ARG HG3 H 1 1.78 0.02 . 2 . . . . . . . . 4200 1 122 . 1 1 23 23 ARG HD2 H 1 2.99 0.02 . 2 . . . . . . . . 4200 1 123 . 1 1 23 23 ARG HD3 H 1 3.29 0.02 . 2 . . . . . . . . 4200 1 124 . 1 1 23 23 ARG HE H 1 7.41 0.02 . 1 . . . . . . . . 4200 1 125 . 1 1 24 24 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4200 1 126 . 1 1 24 24 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 4200 1 127 . 1 1 24 24 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4200 1 128 . 1 1 24 24 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4200 1 129 . 1 1 24 24 GLU HG2 H 1 2.41 0.02 . 1 . . . . . . . . 4200 1 130 . 1 1 24 24 GLU HG3 H 1 2.41 0.02 . 1 . . . . . . . . 4200 1 131 . 1 1 25 25 GLN H H 1 8.04 0.02 . 1 . . . . . . . . 4200 1 132 . 1 1 25 25 GLN HA H 1 4.14 0.02 . 1 . . . . . . . . 4200 1 133 . 1 1 25 25 GLN HB2 H 1 2.37 0.02 . 1 . . . . . . . . 4200 1 134 . 1 1 25 25 GLN HB3 H 1 2.37 0.02 . 1 . . . . . . . . 4200 1 135 . 1 1 25 25 GLN HG2 H 1 2.63 0.02 . 1 . . . . . . . . 4200 1 136 . 1 1 25 25 GLN HG3 H 1 2.63 0.02 . 1 . . . . . . . . 4200 1 137 . 1 1 26 26 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 4200 1 138 . 1 1 26 26 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . 4200 1 139 . 1 1 26 26 LEU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 4200 1 140 . 1 1 26 26 LEU HB3 H 1 1.26 0.02 . 1 . . . . . . . . 4200 1 141 . 1 1 26 26 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 4200 1 142 . 1 1 26 26 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 4200 1 143 . 1 1 26 26 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 4200 1 144 . 1 1 26 26 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 4200 1 145 . 1 1 26 26 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 4200 1 146 . 1 1 26 26 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 4200 1 147 . 1 1 26 26 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 4200 1 148 . 1 1 27 27 LYS H H 1 8.69 0.02 . 1 . . . . . . . . 4200 1 149 . 1 1 28 28 HIS H H 1 8.19 0.02 . 1 . . . . . . . . 4200 1 150 . 1 1 28 28 HIS HA H 1 4.56 0.02 . 1 . . . . . . . . 4200 1 151 . 1 1 28 28 HIS HB2 H 1 3.39 0.02 . 1 . . . . . . . . 4200 1 152 . 1 1 28 28 HIS HB3 H 1 3.39 0.02 . 1 . . . . . . . . 4200 1 153 . 1 1 28 28 HIS HD2 H 1 7.39 0.02 . 1 . . . . . . . . 4200 1 154 . 1 1 28 28 HIS HE1 H 1 8.61 0.02 . 1 . . . . . . . . 4200 1 155 . 1 1 29 29 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 4200 1 156 . 1 1 29 29 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 4200 1 157 . 1 1 30 30 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 4200 1 158 . 1 1 30 30 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 4200 1 159 . 1 1 30 30 LEU HB3 H 1 2.02 0.02 . 4 . . . . . . . . 4200 1 160 . 1 1 30 30 LEU HB2 H 1 1.73 0.02 . 4 . . . . . . . . 4200 1 161 . 1 1 30 30 LEU HG H 1 1.64 0.02 . 4 . . . . . . . . 4200 1 162 . 1 1 30 30 LEU HD11 H 1 1.03 0.02 . 1 . . . . . . . . 4200 1 163 . 1 1 30 30 LEU HD12 H 1 1.03 0.02 . 1 . . . . . . . . 4200 1 164 . 1 1 30 30 LEU HD13 H 1 1.03 0.02 . 1 . . . . . . . . 4200 1 165 . 1 1 30 30 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 4200 1 166 . 1 1 30 30 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 4200 1 167 . 1 1 30 30 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 4200 1 168 . 1 1 31 31 GLU H H 1 7.90 0.02 . 1 . . . . . . . . 4200 1 169 . 1 1 31 31 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 4200 1 170 . 1 1 31 31 GLU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 4200 1 171 . 1 1 31 31 GLU HB3 H 1 2.25 0.02 . 4 . . . . . . . . 4200 1 172 . 1 1 31 31 GLU HG2 H 1 2.37 0.02 . 4 . . . . . . . . 4200 1 173 . 1 1 31 31 GLU HG3 H 1 2.52 0.02 . 2 . . . . . . . . 4200 1 174 . 1 1 32 32 GLN H H 1 7.75 0.02 . 1 . . . . . . . . 4200 1 175 . 1 1 32 32 GLN HA H 1 4.11 0.02 . 1 . . . . . . . . 4200 1 176 . 1 1 32 32 GLN HB2 H 1 2.18 0.02 . 1 . . . . . . . . 4200 1 177 . 1 1 32 32 GLN HB3 H 1 2.18 0.02 . 4 . . . . . . . . 4200 1 178 . 1 1 32 32 GLN HG2 H 1 2.29 0.02 . 4 . . . . . . . . 4200 1 179 . 1 1 32 32 GLN HG3 H 1 2.40 0.02 . 2 . . . . . . . . 4200 1 180 . 1 1 33 33 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 4200 1 181 . 1 1 33 33 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4200 1 182 . 1 1 33 33 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 4200 1 183 . 1 1 33 33 LEU HB3 H 1 1.84 0.02 . 4 . . . . . . . . 4200 1 184 . 1 1 33 33 LEU HG H 1 1.84 0.02 . 4 . . . . . . . . 4200 1 185 . 1 1 33 33 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4200 1 186 . 1 1 33 33 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4200 1 187 . 1 1 33 33 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4200 1 188 . 1 1 33 33 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 4200 1 189 . 1 1 33 33 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 4200 1 190 . 1 1 33 33 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 4200 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4200 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4200 2 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 . 2 2 6 6 ARG HA H 1 4.14 0.02 . 1 . . . . . . . . 4200 2 2 . 2 2 7 7 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 4200 2 3 . 2 2 8 8 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 4200 2 4 . 2 2 9 9 ASN H H 1 8.37 0.02 . 1 . . . . . . . . 4200 2 5 . 2 2 9 9 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 4200 2 6 . 2 2 9 9 ASN HB2 H 1 2.93 0.02 . 1 . . . . . . . . 4200 2 7 . 2 2 9 9 ASN HB3 H 1 2.80 0.02 . 1 . . . . . . . . 4200 2 8 . 2 2 9 9 ASN HD21 H 1 7.63 0.02 . 1 . . . . . . . . 4200 2 9 . 2 2 9 9 ASN HD22 H 1 6.41 0.02 . 1 . . . . . . . . 4200 2 10 . 2 2 10 10 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 4200 2 11 . 2 2 10 10 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 4200 2 12 . 2 2 10 10 ASP HB3 H 1 2.86 0.02 . 2 . . . . . . . . 4200 2 13 . 2 2 10 10 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4200 2 14 . 2 2 11 11 THR H H 1 8.12 0.02 . 1 . . . . . . . . 4200 2 15 . 2 2 11 11 THR HA H 1 4.08 0.02 . 1 . . . . . . . . 4200 2 16 . 2 2 11 11 THR HB H 1 4.23 0.02 . 1 . . . . . . . . 4200 2 17 . 2 2 11 11 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 4200 2 18 . 2 2 11 11 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 4200 2 19 . 2 2 11 11 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 4200 2 20 . 2 2 12 12 HIS H H 1 8.30 0.02 . 1 . . . . . . . . 4200 2 21 . 2 2 12 12 HIS HA H 1 4.67 0.02 . 1 . . . . . . . . 4200 2 22 . 2 2 12 12 HIS HB2 H 1 3.19 0.02 . 1 . . . . . . . . 4200 2 23 . 2 2 12 12 HIS HB3 H 1 3.47 0.02 . 1 . . . . . . . . 4200 2 24 . 2 2 12 12 HIS HD2 H 1 7.53 0.02 . 1 . . . . . . . . 4200 2 25 . 2 2 12 12 HIS HE1 H 1 8.63 0.02 . 1 . . . . . . . . 4200 2 26 . 2 2 13 13 GLN H H 1 8.63 0.02 . 1 . . . . . . . . 4200 2 27 . 2 2 13 13 GLN HA H 1 4.00 0.02 . 1 . . . . . . . . 4200 2 28 . 2 2 13 13 GLN HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4200 2 29 . 2 2 13 13 GLN HB3 H 1 2.23 0.02 . 2 . . . . . . . . 4200 2 30 . 2 2 13 13 GLN HG2 H 1 2.40 0.02 . 1 . . . . . . . . 4200 2 31 . 2 2 13 13 GLN HG3 H 1 2.40 0.02 . 1 . . . . . . . . 4200 2 32 . 2 2 13 13 GLN HE21 H 1 7.61 0.02 . 1 . . . . . . . . 4200 2 33 . 2 2 13 13 GLN HE22 H 1 6.73 0.02 . 1 . . . . . . . . 4200 2 34 . 2 2 14 14 GLN H H 1 8.14 0.02 . 1 . . . . . . . . 4200 2 35 . 2 2 14 14 GLN HA H 1 4.17 0.02 . 1 . . . . . . . . 4200 2 36 . 2 2 14 14 GLN HB2 H 1 2.49 0.02 . 4 . . . . . . . . 4200 2 37 . 2 2 14 14 GLN HB3 H 1 2.49 0.02 . 4 . . . . . . . . 4200 2 38 . 2 2 14 14 GLN HG2 H 1 2.49 0.02 . 4 . . . . . . . . 4200 2 39 . 2 2 14 14 GLN HG3 H 1 2.49 0.02 . 4 . . . . . . . . 4200 2 40 . 2 2 15 15 ASP H H 1 8.11 0.02 . 1 . . . . . . . . 4200 2 41 . 2 2 15 15 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 4200 2 42 . 2 2 15 15 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 4200 2 43 . 2 2 15 15 ASP HB3 H 1 3.07 0.02 . 2 . . . . . . . . 4200 2 44 . 2 2 16 16 ILE H H 1 8.47 0.02 . 1 . . . . . . . . 4200 2 45 . 2 2 16 16 ILE HA H 1 3.55 0.02 . 1 . . . . . . . . 4200 2 46 . 2 2 16 16 ILE HB H 1 2.08 0.02 . 1 . . . . . . . . 4200 2 47 . 2 2 16 16 ILE HG12 H 1 0.78 0.02 . 2 . . . . . . . . 4200 2 48 . 2 2 16 16 ILE HG13 H 1 1.00 0.02 . 2 . . . . . . . . 4200 2 49 . 2 2 16 16 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4200 2 50 . 2 2 16 16 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4200 2 51 . 2 2 16 16 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4200 2 52 . 2 2 16 16 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4200 2 53 . 2 2 16 16 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4200 2 54 . 2 2 16 16 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4200 2 55 . 2 2 17 17 ASP H H 1 8.50 0.02 . 1 . . . . . . . . 4200 2 56 . 2 2 17 17 ASP HA H 1 4.36 0.02 . 1 . . . . . . . . 4200 2 57 . 2 2 17 17 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4200 2 58 . 2 2 17 17 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4200 2 59 . 2 2 18 18 ASP H H 1 8.21 0.02 . 1 . . . . . . . . 4200 2 60 . 2 2 18 18 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 4200 2 61 . 2 2 18 18 ASP HB2 H 1 2.84 0.02 . 2 . . . . . . . . 4200 2 62 . 2 2 18 18 ASP HB3 H 1 2.94 0.02 . 2 . . . . . . . . 4200 2 63 . 2 2 19 19 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 4200 2 64 . 2 2 19 19 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 4200 2 65 . 2 2 19 19 LEU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 4200 2 66 . 2 2 19 19 LEU HB3 H 1 1.29 0.02 . 1 . . . . . . . . 4200 2 67 . 2 2 19 19 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4200 2 68 . 2 2 19 19 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 4200 2 69 . 2 2 19 19 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 4200 2 70 . 2 2 19 19 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 4200 2 71 . 2 2 19 19 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 4200 2 72 . 2 2 19 19 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 4200 2 73 . 2 2 19 19 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 4200 2 74 . 2 2 20 20 LYS H H 1 8.77 0.02 . 1 . . . . . . . . 4200 2 75 . 2 2 20 20 LYS HA H 1 3.96 0.02 . 1 . . . . . . . . 4200 2 76 . 2 2 20 20 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4200 2 77 . 2 2 20 20 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4200 2 78 . 2 2 20 20 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 4200 2 79 . 2 2 20 20 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 4200 2 80 . 2 2 20 20 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 4200 2 81 . 2 2 20 20 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 4200 2 82 . 2 2 20 20 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 4200 2 83 . 2 2 20 20 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 4200 2 84 . 2 2 21 21 ARG H H 1 7.77 0.02 . 1 . . . . . . . . 4200 2 85 . 2 2 21 21 ARG HA H 1 4.14 0.02 . 1 . . . . . . . . 4200 2 86 . 2 2 21 21 ARG HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4200 2 87 . 2 2 21 21 ARG HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4200 2 88 . 2 2 21 21 ARG HG2 H 1 1.61 0.02 . 1 . . . . . . . . 4200 2 89 . 2 2 21 21 ARG HG3 H 1 1.61 0.02 . 1 . . . . . . . . 4200 2 90 . 2 2 21 21 ARG HD2 H 1 3.30 0.02 . 1 . . . . . . . . 4200 2 91 . 2 2 21 21 ARG HD3 H 1 3.30 0.02 . 1 . . . . . . . . 4200 2 92 . 2 2 21 21 ARG HE H 1 7.41 0.02 . 1 . . . . . . . . 4200 2 93 . 2 2 22 22 GLN H H 1 8.68 0.02 . 1 . . . . . . . . 4200 2 94 . 2 2 22 22 GLN HA H 1 4.01 0.02 . 1 . . . . . . . . 4200 2 95 . 2 2 22 22 GLN HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4200 2 96 . 2 2 22 22 GLN HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4200 2 97 . 2 2 22 22 GLN HG2 H 1 2.36 0.02 . 2 . . . . . . . . 4200 2 98 . 2 2 22 22 GLN HG3 H 1 2.65 0.02 . 2 . . . . . . . . 4200 2 99 . 2 2 22 22 GLN HE21 H 1 7.45 0.02 . 1 . . . . . . . . 4200 2 100 . 2 2 22 22 GLN HE22 H 1 6.88 0.02 . 1 . . . . . . . . 4200 2 101 . 2 2 23 23 ASN H H 1 8.98 0.02 . 1 . . . . . . . . 4200 2 102 . 2 2 23 23 ASN HA H 1 4.51 0.02 . 1 . . . . . . . . 4200 2 103 . 2 2 23 23 ASN HB2 H 1 2.84 0.02 . 1 . . . . . . . . 4200 2 104 . 2 2 23 23 ASN HB3 H 1 2.57 0.02 . 1 . . . . . . . . 4200 2 105 . 2 2 23 23 ASN HD21 H 1 6.82 0.02 . 1 . . . . . . . . 4200 2 106 . 2 2 23 23 ASN HD22 H 1 6.19 0.02 . 1 . . . . . . . . 4200 2 107 . 2 2 24 24 ALA H H 1 7.89 0.02 . 1 . . . . . . . . 4200 2 108 . 2 2 24 24 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 4200 2 109 . 2 2 24 24 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4200 2 110 . 2 2 24 24 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4200 2 111 . 2 2 24 24 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4200 2 112 . 2 2 25 25 LEU H H 1 7.58 0.02 . 1 . . . . . . . . 4200 2 113 . 2 2 25 25 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4200 2 114 . 2 2 25 25 LEU HB2 H 1 1.62 0.02 . 4 . . . . . . . . 4200 2 115 . 2 2 25 25 LEU HB3 H 1 1.82 0.02 . 4 . . . . . . . . 4200 2 116 . 2 2 25 25 LEU HG H 1 1.72 0.02 . 4 . . . . . . . . 4200 2 117 . 2 2 25 25 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 4200 2 118 . 2 2 25 25 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 4200 2 119 . 2 2 25 25 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 4200 2 120 . 2 2 25 25 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 4200 2 121 . 2 2 25 25 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 4200 2 122 . 2 2 25 25 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 4200 2 123 . 2 2 26 26 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 4200 2 124 . 2 2 26 26 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4200 2 125 . 2 2 26 26 LEU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4200 2 126 . 2 2 26 26 LEU HB3 H 1 1.33 0.02 . 1 . . . . . . . . 4200 2 127 . 2 2 26 26 LEU HG H 1 1.88 0.02 . 1 . . . . . . . . 4200 2 128 . 2 2 26 26 LEU HD11 H 1 1.03 0.02 . 1 . . . . . . . . 4200 2 129 . 2 2 26 26 LEU HD12 H 1 1.03 0.02 . 1 . . . . . . . . 4200 2 130 . 2 2 26 26 LEU HD13 H 1 1.03 0.02 . 1 . . . . . . . . 4200 2 131 . 2 2 26 26 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 4200 2 132 . 2 2 26 26 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 4200 2 133 . 2 2 26 26 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 4200 2 134 . 2 2 27 27 GLU H H 1 8.81 0.02 . 1 . . . . . . . . 4200 2 135 . 2 2 27 27 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 4200 2 136 . 2 2 27 27 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4200 2 137 . 2 2 27 27 GLU HB3 H 1 2.23 0.02 . 2 . . . . . . . . 4200 2 138 . 2 2 27 27 GLU HG2 H 1 2.49 0.02 . 2 . . . . . . . . 4200 2 139 . 2 2 27 27 GLU HG3 H 1 2.61 0.02 . 2 . . . . . . . . 4200 2 140 . 2 2 28 28 GLN H H 1 7.72 0.02 . 1 . . . . . . . . 4200 2 141 . 2 2 28 28 GLN HA H 1 4.10 0.02 . 1 . . . . . . . . 4200 2 142 . 2 2 28 28 GLN HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4200 2 143 . 2 2 28 28 GLN HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4200 2 144 . 2 2 28 28 GLN HG2 H 1 2.31 0.02 . 2 . . . . . . . . 4200 2 145 . 2 2 28 28 GLN HG3 H 1 2.62 0.02 . 2 . . . . . . . . 4200 2 146 . 2 2 29 29 GLN H H 1 8.02 0.02 . 1 . . . . . . . . 4200 2 147 . 2 2 29 29 GLN HA H 1 4.11 0.02 . 1 . . . . . . . . 4200 2 148 . 2 2 29 29 GLN HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4200 2 149 . 2 2 29 29 GLN HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4200 2 150 . 2 2 29 29 GLN HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4200 2 151 . 2 2 29 29 GLN HG3 H 1 2.62 0.02 . 2 . . . . . . . . 4200 2 152 . 2 2 29 29 GLN HE21 H 1 7.13 0.02 . 1 . . . . . . . . 4200 2 153 . 2 2 29 29 GLN HE22 H 1 6.66 0.02 . 1 . . . . . . . . 4200 2 154 . 2 2 30 30 VAL H H 1 8.50 0.02 . 1 . . . . . . . . 4200 2 155 . 2 2 30 30 VAL HA H 1 3.51 0.02 . 1 . . . . . . . . 4200 2 156 . 2 2 30 30 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 4200 2 157 . 2 2 30 30 VAL HG11 H 1 1.02 0.02 . 1 . . . . . . . . 4200 2 158 . 2 2 30 30 VAL HG12 H 1 1.02 0.02 . 1 . . . . . . . . 4200 2 159 . 2 2 30 30 VAL HG13 H 1 1.02 0.02 . 1 . . . . . . . . 4200 2 160 . 2 2 30 30 VAL HG21 H 1 0.87 0.02 . 1 . . . . . . . . 4200 2 161 . 2 2 30 30 VAL HG22 H 1 0.87 0.02 . 1 . . . . . . . . 4200 2 162 . 2 2 30 30 VAL HG23 H 1 0.87 0.02 . 1 . . . . . . . . 4200 2 163 . 2 2 31 31 ARG H H 1 8.07 0.02 . 1 . . . . . . . . 4200 2 164 . 2 2 31 31 ARG HA H 1 4.01 0.02 . 1 . . . . . . . . 4200 2 165 . 2 2 31 31 ARG HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4200 2 166 . 2 2 31 31 ARG HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4200 2 167 . 2 2 31 31 ARG HG2 H 1 1.66 0.02 . 2 . . . . . . . . 4200 2 168 . 2 2 31 31 ARG HG3 H 1 1.83 0.02 . 2 . . . . . . . . 4200 2 169 . 2 2 31 31 ARG HD2 H 1 3.21 0.02 . 2 . . . . . . . . 4200 2 170 . 2 2 31 31 ARG HD3 H 1 3.25 0.02 . 2 . . . . . . . . 4200 2 171 . 2 2 31 31 ARG HE H 1 7.36 0.02 . 1 . . . . . . . . 4200 2 172 . 2 2 32 32 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 4200 2 173 . 2 2 32 32 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 4200 2 174 . 2 2 32 32 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 4200 2 175 . 2 2 32 32 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 4200 2 176 . 2 2 32 32 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 4200 2 177 . 2 2 33 33 LEU H H 1 7.56 0.02 . 1 . . . . . . . . 4200 2 178 . 2 2 33 33 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4200 2 179 . 2 2 33 33 LEU HB2 H 1 1.60 0.02 . 4 . . . . . . . . 4200 2 180 . 2 2 33 33 LEU HB3 H 1 1.82 0.02 . 4 . . . . . . . . 4200 2 181 . 2 2 33 33 LEU HG H 1 1.82 0.02 . 4 . . . . . . . . 4200 2 182 . 2 2 33 33 LEU HD11 H 1 1.03 0.02 . 2 . . . . . . . . 4200 2 183 . 2 2 33 33 LEU HD12 H 1 1.03 0.02 . 2 . . . . . . . . 4200 2 184 . 2 2 33 33 LEU HD13 H 1 1.03 0.02 . 2 . . . . . . . . 4200 2 185 . 2 2 33 33 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 4200 2 186 . 2 2 33 33 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 4200 2 187 . 2 2 33 33 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 4200 2 stop_ save_