data_4890 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4890 _Entry.Title ; 1H resonance assignments for the N-ter domain of the human TFIIH MAT1 subunit ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-11-02 _Entry.Accession_date 2000-11-02 _Entry.Last_release_date 2000-12-04 _Entry.Original_release_date 2000-12-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 V. Gervais . . . 4890 2 E. Wasielewski . . . 4890 3 D. Busso . . . 4890 4 A. Poterszman . . . 4890 5 J.M. Egly . . . 4890 6 J.C. Thierry . . . 4890 7 B. Kieffer . . . 4890 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4890 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 424 4890 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 . . 2000-12-04 2000-11-02 original author . 4890 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4890 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the N-terminal Domain of the Human TFIIH MAT1 Subunit: New Insights into the RING Finger Family ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 . 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 V. Gervais . . . 4890 1 2 D. Busso . . . 4890 1 3 E. Wasielewski . . . 4890 1 4 A. Poterszman . . . 4890 1 5 J.M. Egly . . . 4890 1 6 J.C. Thierry . . . 4890 1 7 B. Kieffer . . . 4890 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RING FINGER (C3HC4)' 4890 1 'basic transcription factor' 4890 1 'zinc binding protein' 4890 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4890 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8521393 _Citation.Full_citation ; Yee A, Nichols MA, Wu L, Hall FL, Kobayashi R, Xiong Y. Molecular cloning of CDK7-associated human MAT1, a cyclin-dependent kinase-activating kinase (CAK) assembly factor. Cancer Res. 1995 Dec 15;55(24):6058-62. ; _Citation.Title 'Molecular cloning of CDK7-associated human MAT1, a cyclin-dependent kinase-activating kinase (CAK) assembly factor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cancer Res.' _Citation.Journal_name_full 'Cancer research' _Citation.Journal_volume 55 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0008-5472 _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 6058 _Citation.Page_last 6062 _Citation.Year 1995 _Citation.Details ; Mammalian CDK7 is a protein kinase identified as the catalytic subunit of cyclin-dependent kinase (CDK)-activating kinase and as an essential component of the transcription factor TFIIH that is involved in transcription initiation and DNA repair. We have identified in human cells a number of CDK7-associated cellular proteins that appear to fall into two classes based on their relative [35S] metabolic labeling intensity. One class of proteins present in CDK7 immunocomplexes as a minor fraction contains components of the TFIIH transcription complex such as p62 and p89ERCC3, whereas the other fraction contains four polypeptides (p35, p37Cyclin H, p75, and p95) that are stoichiometrically associated with CDK7. Whereas the levels of association of p35, p37Cyclin H, and p75 with CDK7 remain unchanged between density-arrested and proliferating Ewing sarcoma EW-1 cells, the association of p95 with CDK7 was significantly decreased as cells reached confluency. Through a large-scale immunopurification of CDK7 complexes and protein microsequencing, we have isolated a cDNA that encodes p35 and have shown that it is the human homologue of Mat1 that is involved in the assembly of CAK. MAT1 contains a highly conserved C3HC4 motif at its NH2 terminus, a characteristic feature shared among RING finger proteins. The human MAT1 gene expresses a single 1.6-kb transcript, the steady-state level of which, like CDK7 and cyclin H, varies significantly in different cell lines and in different terminally differentiated tissues. ; 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 A. Yee A. . . 4890 2 2 'M. A.' Nichols M. A. . 4890 2 3 L. Wu L. . . 4890 2 4 'F. L.' Hall F. L. . 4890 2 5 R. Kobayashi R. . . 4890 2 6 Y. Xiong Y. . . 4890 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4890 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'X-PLOR, version 3.1: A system for X-ray crystallography and NMR' _Citation.Status . _Citation.Type book _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 'X-PLOR, version 3.1: A system for X-ray crystallography and NMR' _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher 'Yale University Press' _Citation.Book_publisher_city 'New Haven' _Citation.Book_ISBN 0300054025 _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 1992 _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 Axel Brunger . T. . 4890 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'structure calculation' 4890 3 'structure analysis' 4890 3 software 4890 3 stop_ save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 4890 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. ; _Citation.Status . _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 1 _Citation.Page_last 10 _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 C. Bartels . . . 4890 4 2 T.-H. Xia . . . 4890 4 3 Martin Billeter . . . 4890 4 4 Peter Guntert . . . 4890 4 5 Kurt Wuthrich . . . 4890 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'spectrum analysis' 4890 4 software 4890 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MAT1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MAT1 _Assembly.Entry_ID 4890 _Assembly.ID 1 _Assembly.Name 'CDK-ACTIVATING KINASE ASSEMBLY FACTOR MAT1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _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 4890 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 MAT1 1 $MAT1 . . . native . . . . . 4890 1 2 Zn(II)-1 2 $ZN . . . native . . . . . 4890 1 3 Zn(II)-2 2 $ZN . . . native . . . . . 4890 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinative single . 2 . 2 ZN 1 1 ZN . 1 . 1 CYS 6 6 SG . . . . . . . . . . 4890 1 2 coordinative single . 2 . 2 ZN 1 1 ZN . 1 . 1 CYS 9 9 SG . . . . . . . . . . 4890 1 3 coordinative single . 2 . 2 ZN 1 1 ZN . 1 . 1 CYS 31 31 SG . . . . . . . . . . 4890 1 4 coordinative single . 2 . 2 ZN 1 1 ZN . 1 . 1 CYS 34 34 SG . . . . . . . . . . 4890 1 5 coordinative single . 3 . 2 ZN 1 1 ZN . 1 . 1 CYS 26 26 SG . . . . . . . . . . 4890 1 6 coordinative single . 3 . 2 ZN 1 1 ZN . 1 . 1 HIS 28 28 ND1 . . . . . . . . . . 4890 1 7 coordinative single . 3 . 2 ZN 1 1 ZN . 1 . 1 CYS 46 46 SG . . . . . . . . . . 4890 1 8 coordinative single . 3 . 2 ZN 1 1 ZN . 1 . 1 CYS 49 49 SG . . . . . . . . . . 4890 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1G25 . 'A Chain A, Solution Structure Of The N-Terminal Domain Of The Human Tfiih Mat1 Subunit' . . . . 4890 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CDK-ACTIVATING KINASE ASSEMBLY FACTOR MAT1' system 4890 1 MAT1 abbreviation 4890 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAT1 _Entity.Sf_category entity _Entity.Sf_framecode MAT1 _Entity.Entry_ID 4890 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Menage a trois' _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 ; MDDQGCPRCKTTKYRNPSLK LMVNVCGHTLCESCVDLLFV RGAGNCPECGTPLRKSNFRV QLFED ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7296 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P51948 . 'CDK-activating kinase assembly factor MAT1 (RING finger protein MAT1) (Menage a trois) (CDK7/cyclin H assembly factor) (p36) (p35) (Cyclin G1-interacting protein) (RING finger protein 66)' . . . . . 100.00 309 100.00 100.00 5.19e-33 . . . . 4890 1 . . SWISS-PROT P51949 . 'CDK-activating kinase assembly factor MAT1 (RING finger protein MAT1) (Menage a trois) (CDK7/cyclin H assembly factor) (p36) (p35)' . . . . . 100.00 309 100.00 100.00 4.66e-33 . . . . 4890 1 . . REF NP_703202 . 'menage a trois 1 [Rattus norvegicus]' . . . . . 100.00 309 100.00 100.00 4.39e-33 . . . . 4890 1 . . REF XP_001096910 . 'PREDICTED: menage a trois 1 (CAK assembly factor) isoform 1 [Macaca mulatta]' . . . . . 100.00 278 100.00 100.00 4.50e-33 . . . . 4890 1 . . REF NP_002422 . 'menage a trois 1 (CAK assembly factor) [Homo sapiens]' . . . . . 100.00 309 100.00 100.00 5.19e-33 . . . . 4890 1 . . REF NP_032638 . 'menage a trois 1 [Mus musculus]' . . . . . 100.00 309 100.00 100.00 4.66e-33 . . . . 4890 1 . . GenBank AAH89023 . 'Menage a trois 1 [Mus musculus]' . . . . . 100.00 309 100.00 100.00 4.66e-33 . . . . 4890 1 . . REF NP_001098879 . 'menage a trois homolog 1, cyclin H assembly factor [Bos taurus]' . . . . . 100.00 309 100.00 100.00 6.03e-33 . . . . 4890 1 . . GenBank AAH00820 . 'Menage a trois homolog 1, cyclin H assembly factor (Xenopus laevis) [Homo sapiens]' . . . . . 100.00 309 100.00 100.00 5.19e-33 . . . . 4890 1 . . GenBank AAH78712 . 'Menage a trois 1 [Rattus norvegicus]' . . . . . 100.00 309 100.00 100.00 4.39e-33 . . . . 4890 1 . . GenBank AAA91741 . 'CDK-activating kinase assembly factor p36/MAT1' . . . . . 100.00 309 100.00 100.00 4.62e-33 . . . . 4890 1 . . GenBank AAB05248 . '1500GX1 gene product' . . . . . 100.00 267 98.46 98.46 4.86e-32 . . . . 4890 1 . . EMBL CAA63356 . 'p35 [Homo sapiens]' . . . . . 100.00 309 100.00 100.00 5.19e-33 . . . . 4890 1 . . EMBL CAG29332 . 'MNAT1 [Homo sapiens]' . . . . . 100.00 309 100.00 100.00 5.19e-33 . . . . 4890 1 . . DBJ BAE34168 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 309 100.00 100.00 4.66e-33 . . . . 4890 1 . . EMBL CAA61112 . 'cdk7/cyclin H assembly factor [Homo sapiens]' . . . . . 100.00 309 100.00 100.00 5.19e-33 . . . . 4890 1 . . DBJ BAB25556 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 309 100.00 100.00 4.66e-33 . . . . 4890 1 . . DBJ BAE33464 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 309 100.00 100.00 4.66e-33 . . . . 4890 1 . . PDB 1G25 . 'Solution Structure Of The N-Terminal Domain Of The Human Tfiih Mat1 Subunit' . . . . . 100.00 65 100.00 100.00 1.12e-30 . . . . 4890 1 . . DBJ BAB25483 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 309 98.46 98.46 5.19e-32 . . . . 4890 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Menage a trois' common 4890 1 MAT1 abbreviation 4890 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 . 4890 1 2 . ASP . 4890 1 3 . ASP . 4890 1 4 . GLN . 4890 1 5 . GLY . 4890 1 6 . CYS . 4890 1 7 . PRO . 4890 1 8 . ARG . 4890 1 9 . CYS . 4890 1 10 . LYS . 4890 1 11 . THR . 4890 1 12 . THR . 4890 1 13 . LYS . 4890 1 14 . TYR . 4890 1 15 . ARG . 4890 1 16 . ASN . 4890 1 17 . PRO . 4890 1 18 . SER . 4890 1 19 . LEU . 4890 1 20 . LYS . 4890 1 21 . LEU . 4890 1 22 . MET . 4890 1 23 . VAL . 4890 1 24 . ASN . 4890 1 25 . VAL . 4890 1 26 . CYS . 4890 1 27 . GLY . 4890 1 28 . HIS . 4890 1 29 . THR . 4890 1 30 . LEU . 4890 1 31 . CYS . 4890 1 32 . GLU . 4890 1 33 . SER . 4890 1 34 . CYS . 4890 1 35 . VAL . 4890 1 36 . ASP . 4890 1 37 . LEU . 4890 1 38 . LEU . 4890 1 39 . PHE . 4890 1 40 . VAL . 4890 1 41 . ARG . 4890 1 42 . GLY . 4890 1 43 . ALA . 4890 1 44 . GLY . 4890 1 45 . ASN . 4890 1 46 . CYS . 4890 1 47 . PRO . 4890 1 48 . GLU . 4890 1 49 . CYS . 4890 1 50 . GLY . 4890 1 51 . THR . 4890 1 52 . PRO . 4890 1 53 . LEU . 4890 1 54 . ARG . 4890 1 55 . LYS . 4890 1 56 . SER . 4890 1 57 . ASN . 4890 1 58 . PHE . 4890 1 59 . ARG . 4890 1 60 . VAL . 4890 1 61 . GLN . 4890 1 62 . LEU . 4890 1 63 . PHE . 4890 1 64 . GLU . 4890 1 65 . ASP . 4890 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 4890 1 . ASP 2 2 4890 1 . ASP 3 3 4890 1 . GLN 4 4 4890 1 . GLY 5 5 4890 1 . CYS 6 6 4890 1 . PRO 7 7 4890 1 . ARG 8 8 4890 1 . CYS 9 9 4890 1 . LYS 10 10 4890 1 . THR 11 11 4890 1 . THR 12 12 4890 1 . LYS 13 13 4890 1 . TYR 14 14 4890 1 . ARG 15 15 4890 1 . ASN 16 16 4890 1 . PRO 17 17 4890 1 . SER 18 18 4890 1 . LEU 19 19 4890 1 . LYS 20 20 4890 1 . LEU 21 21 4890 1 . MET 22 22 4890 1 . VAL 23 23 4890 1 . ASN 24 24 4890 1 . VAL 25 25 4890 1 . CYS 26 26 4890 1 . GLY 27 27 4890 1 . HIS 28 28 4890 1 . THR 29 29 4890 1 . LEU 30 30 4890 1 . CYS 31 31 4890 1 . GLU 32 32 4890 1 . SER 33 33 4890 1 . CYS 34 34 4890 1 . VAL 35 35 4890 1 . ASP 36 36 4890 1 . LEU 37 37 4890 1 . LEU 38 38 4890 1 . PHE 39 39 4890 1 . VAL 40 40 4890 1 . ARG 41 41 4890 1 . GLY 42 42 4890 1 . ALA 43 43 4890 1 . GLY 44 44 4890 1 . ASN 45 45 4890 1 . CYS 46 46 4890 1 . PRO 47 47 4890 1 . GLU 48 48 4890 1 . CYS 49 49 4890 1 . GLY 50 50 4890 1 . THR 51 51 4890 1 . PRO 52 52 4890 1 . LEU 53 53 4890 1 . ARG 54 54 4890 1 . LYS 55 55 4890 1 . SER 56 56 4890 1 . ASN 57 57 4890 1 . PHE 58 58 4890 1 . ARG 59 59 4890 1 . VAL 60 60 4890 1 . GLN 61 61 4890 1 . LEU 62 62 4890 1 . PHE 63 63 4890 1 . GLU 64 64 4890 1 . ASP 65 65 4890 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4890 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . 4890 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 4890 _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 $MAT1 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . MAT1 . . . . 4890 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 4890 _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 $MAT1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pGEX-4T2 . . . . . . 4890 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 4890 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 14:17:05 2011 ; _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 [Zn+2] SMILES ACDLabs 10.04 4890 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4890 ZN [Zn++] SMILES CACTVS 3.341 4890 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4890 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4890 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 4890 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4890 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 4890 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4890 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4890 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4890 _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 'Menage a trois' . . . 1 $MAT1 . . 2 . . mM . . . . 4890 1 stop_ save_ ####################### # Sample conditions # ####################### save_MAT1_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode MAT1_conditions _Sample_condition_list.Entry_ID 4890 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 n/a 4890 1 temperature 298 0.1 K 4890 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4890 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.8 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4890 1 refinement 4890 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 4890 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4890 _Software.ID 2 _Software.Name XWINNMR _Software.Version 1.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 4890 2 'data processing' 4890 2 stop_ save_ save_xeasy _Software.Sf_category software _Software.Sf_framecode xeasy _Software.Entry_ID 4890 _Software.ID 3 _Software.Name xeasy _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4890 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ref_3 4890 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4890 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4890 _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 spectrometer_1 Bruker DMX . 750 . . . 4890 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 4890 _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 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $MAT1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4890 1 2 DQF-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $MAT1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4890 1 3 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $MAT1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4890 1 stop_ 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 4890 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4890 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4890 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $MAT1_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4890 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 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 4890 1 2 . 1 1 2 2 ASP HA H 1 4.91 0.02 . 1 . . . . . . . . 4890 1 3 . 1 1 2 2 ASP HB2 H 1 4.58 0.02 . 1 . . . . . . . . 4890 1 4 . 1 1 2 2 ASP HB3 H 1 4.58 0.02 . 1 . . . . . . . . 4890 1 5 . 1 1 3 3 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 4890 1 6 . 1 1 3 3 ASP HB2 H 1 2.66 0.02 . 1 . . . . . . . . 4890 1 7 . 1 1 3 3 ASP HB3 H 1 2.66 0.02 . 1 . . . . . . . . 4890 1 8 . 1 1 4 4 GLN H H 1 7.99 0.02 . 1 . . . . . . . . 4890 1 9 . 1 1 4 4 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 4890 1 10 . 1 1 4 4 GLN HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4890 1 11 . 1 1 4 4 GLN HB3 H 1 2.00 0.02 . 1 . . . . . . . . 4890 1 12 . 1 1 4 4 GLN HG2 H 1 2.23 0.02 . 2 . . . . . . . . 4890 1 13 . 1 1 4 4 GLN HG3 H 1 2.17 0.02 . 2 . . . . . . . . 4890 1 14 . 1 1 4 4 GLN HE21 H 1 7.46 0.02 . 1 . . . . . . . . 4890 1 15 . 1 1 4 4 GLN HE22 H 1 6.80 0.02 . 1 . . . . . . . . 4890 1 16 . 1 1 5 5 GLY H H 1 8.04 0.02 . 1 . . . . . . . . 4890 1 17 . 1 1 5 5 GLY HA2 H 1 4.26 0.02 . 2 . . . . . . . . 4890 1 18 . 1 1 5 5 GLY HA3 H 1 3.90 0.02 . 2 . . . . . . . . 4890 1 19 . 1 1 6 6 CYS H H 1 8.32 0.02 . 1 . . . . . . . . 4890 1 20 . 1 1 6 6 CYS HA H 1 4.66 0.02 . 1 . . . . . . . . 4890 1 21 . 1 1 6 6 CYS HB2 H 1 2.57 0.02 . 1 . . . . . . . . 4890 1 22 . 1 1 6 6 CYS HB3 H 1 3.53 0.02 . 1 . . . . . . . . 4890 1 23 . 1 1 7 7 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 4890 1 24 . 1 1 7 7 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4890 1 25 . 1 1 7 7 PRO HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4890 1 26 . 1 1 7 7 PRO HG2 H 1 2.35 0.02 . 2 . . . . . . . . 4890 1 27 . 1 1 7 7 PRO HG3 H 1 2.20 0.02 . 2 . . . . . . . . 4890 1 28 . 1 1 7 7 PRO HD2 H 1 4.15 0.02 . 2 . . . . . . . . 4890 1 29 . 1 1 7 7 PRO HD3 H 1 4.10 0.02 . 2 . . . . . . . . 4890 1 30 . 1 1 8 8 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 4890 1 31 . 1 1 8 8 ARG HA H 1 4.42 0.02 . 1 . . . . . . . . 4890 1 32 . 1 1 8 8 ARG HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4890 1 33 . 1 1 8 8 ARG HB3 H 1 2.39 0.02 . 1 . . . . . . . . 4890 1 34 . 1 1 8 8 ARG HG2 H 1 1.63 0.02 . 2 . . . . . . . . 4890 1 35 . 1 1 8 8 ARG HG3 H 1 1.54 0.02 . 2 . . . . . . . . 4890 1 36 . 1 1 8 8 ARG HD2 H 1 3.45 0.02 . 2 . . . . . . . . 4890 1 37 . 1 1 8 8 ARG HD3 H 1 3.08 0.02 . 2 . . . . . . . . 4890 1 38 . 1 1 9 9 CYS H H 1 8.16 0.02 . 1 . . . . . . . . 4890 1 39 . 1 1 9 9 CYS HA H 1 4.73 0.02 . 1 . . . . . . . . 4890 1 40 . 1 1 9 9 CYS HB2 H 1 3.28 0.02 . 1 . . . . . . . . 4890 1 41 . 1 1 9 9 CYS HB3 H 1 2.51 0.02 . 1 . . . . . . . . 4890 1 42 . 1 1 10 10 LYS H H 1 7.77 0.02 . 1 . . . . . . . . 4890 1 43 . 1 1 10 10 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 4890 1 44 . 1 1 10 10 LYS HB2 H 1 2.28 0.02 . 1 . . . . . . . . 4890 1 45 . 1 1 10 10 LYS HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4890 1 46 . 1 1 10 10 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 4890 1 47 . 1 1 10 10 LYS HG3 H 1 1.21 0.02 . 2 . . . . . . . . 4890 1 48 . 1 1 10 10 LYS HD2 H 1 1.57 0.02 . 1 . . . . . . . . 4890 1 49 . 1 1 10 10 LYS HD3 H 1 1.57 0.02 . 1 . . . . . . . . 4890 1 50 . 1 1 10 10 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 4890 1 51 . 1 1 10 10 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 4890 1 52 . 1 1 11 11 THR H H 1 8.17 0.02 . 1 . . . . . . . . 4890 1 53 . 1 1 11 11 THR HA H 1 4.24 0.02 . 1 . . . . . . . . 4890 1 54 . 1 1 11 11 THR HB H 1 4.08 0.02 . 1 . . . . . . . . 4890 1 55 . 1 1 11 11 THR HG21 H 1 1.42 0.02 . 1 . . . . . . . . 4890 1 56 . 1 1 11 11 THR HG22 H 1 1.42 0.02 . 1 . . . . . . . . 4890 1 57 . 1 1 11 11 THR HG23 H 1 1.42 0.02 . 1 . . . . . . . . 4890 1 58 . 1 1 12 12 THR H H 1 8.17 0.02 . 1 . . . . . . . . 4890 1 59 . 1 1 12 12 THR HA H 1 4.24 0.02 . 1 . . . . . . . . 4890 1 60 . 1 1 12 12 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 4890 1 61 . 1 1 12 12 THR HG21 H 1 1.42 0.02 . 1 . . . . . . . . 4890 1 62 . 1 1 12 12 THR HG22 H 1 1.42 0.02 . 1 . . . . . . . . 4890 1 63 . 1 1 12 12 THR HG23 H 1 1.42 0.02 . 1 . . . . . . . . 4890 1 64 . 1 1 13 13 LYS H H 1 8.89 0.02 . 1 . . . . . . . . 4890 1 65 . 1 1 13 13 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 4890 1 66 . 1 1 13 13 LYS HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4890 1 67 . 1 1 13 13 LYS HB3 H 1 1.29 0.02 . 1 . . . . . . . . 4890 1 68 . 1 1 13 13 LYS HG2 H 1 0.75 0.02 . 1 . . . . . . . . 4890 1 69 . 1 1 13 13 LYS HD2 H 1 1.23 0.02 . 1 . . . . . . . . 4890 1 70 . 1 1 13 13 LYS HD3 H 1 1.23 0.02 . 1 . . . . . . . . 4890 1 71 . 1 1 13 13 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 4890 1 72 . 1 1 13 13 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 4890 1 73 . 1 1 14 14 TYR H H 1 7.70 0.02 . 1 . . . . . . . . 4890 1 74 . 1 1 14 14 TYR HA H 1 4.24 0.02 . 1 . . . . . . . . 4890 1 75 . 1 1 14 14 TYR HB2 H 1 3.00 0.02 . 2 . . . . . . . . 4890 1 76 . 1 1 14 14 TYR HB3 H 1 2.96 0.02 . 2 . . . . . . . . 4890 1 77 . 1 1 14 14 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 4890 1 78 . 1 1 14 14 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 4890 1 79 . 1 1 14 14 TYR HE1 H 1 6.86 0.02 . 1 . . . . . . . . 4890 1 80 . 1 1 14 14 TYR HE2 H 1 6.86 0.02 . 1 . . . . . . . . 4890 1 81 . 1 1 15 15 ARG H H 1 7.35 0.02 . 1 . . . . . . . . 4890 1 82 . 1 1 15 15 ARG HA H 1 4.20 0.02 . 1 . . . . . . . . 4890 1 83 . 1 1 15 15 ARG HB2 H 1 2.01 0.02 . 1 . . . . . . . . 4890 1 84 . 1 1 15 15 ARG HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4890 1 85 . 1 1 15 15 ARG HG2 H 1 1.71 0.02 . 1 . . . . . . . . 4890 1 86 . 1 1 15 15 ARG HG3 H 1 1.71 0.02 . 1 . . . . . . . . 4890 1 87 . 1 1 15 15 ARG HD2 H 1 3.29 0.02 . 1 . . . . . . . . 4890 1 88 . 1 1 15 15 ARG HD3 H 1 3.29 0.02 . 1 . . . . . . . . 4890 1 89 . 1 1 15 15 ARG HE H 1 7.43 0.02 . 1 . . . . . . . . 4890 1 90 . 1 1 16 16 ASN H H 1 8.01 0.02 . 1 . . . . . . . . 4890 1 91 . 1 1 16 16 ASN HA H 1 5.12 0.02 . 1 . . . . . . . . 4890 1 92 . 1 1 16 16 ASN HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4890 1 93 . 1 1 16 16 ASN HB3 H 1 2.86 0.02 . 2 . . . . . . . . 4890 1 94 . 1 1 16 16 ASN HD21 H 1 7.19 0.02 . 1 . . . . . . . . 4890 1 95 . 1 1 16 16 ASN HD22 H 1 7.10 0.02 . 1 . . . . . . . . 4890 1 96 . 1 1 17 17 PRO HA H 1 4.62 0.02 . 1 . . . . . . . . 4890 1 97 . 1 1 17 17 PRO HB2 H 1 2.45 0.02 . 1 . . . . . . . . 4890 1 98 . 1 1 17 17 PRO HB3 H 1 2.45 0.02 . 1 . . . . . . . . 4890 1 99 . 1 1 17 17 PRO HG2 H 1 2.06 0.02 . 2 . . . . . . . . 4890 1 100 . 1 1 17 17 PRO HG3 H 1 2.04 0.02 . 2 . . . . . . . . 4890 1 101 . 1 1 17 17 PRO HD2 H 1 3.85 0.02 . 2 . . . . . . . . 4890 1 102 . 1 1 17 17 PRO HD3 H 1 3.50 0.02 . 2 . . . . . . . . 4890 1 103 . 1 1 18 18 SER H H 1 7.68 0.02 . 1 . . . . . . . . 4890 1 104 . 1 1 18 18 SER HA H 1 4.54 0.02 . 1 . . . . . . . . 4890 1 105 . 1 1 18 18 SER HB2 H 1 3.97 0.02 . 1 . . . . . . . . 4890 1 106 . 1 1 18 18 SER HB3 H 1 3.97 0.02 . 1 . . . . . . . . 4890 1 107 . 1 1 19 19 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 4890 1 108 . 1 1 19 19 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 4890 1 109 . 1 1 19 19 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4890 1 110 . 1 1 19 19 LEU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4890 1 111 . 1 1 19 19 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 4890 1 112 . 1 1 19 19 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 4890 1 113 . 1 1 19 19 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 4890 1 114 . 1 1 19 19 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 4890 1 115 . 1 1 19 19 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 4890 1 116 . 1 1 19 19 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 4890 1 117 . 1 1 19 19 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 4890 1 118 . 1 1 20 20 LYS H H 1 8.83 0.02 . 1 . . . . . . . . 4890 1 119 . 1 1 20 20 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . 4890 1 120 . 1 1 20 20 LYS HB2 H 1 1.74 0.02 . 1 . . . . . . . . 4890 1 121 . 1 1 20 20 LYS HB3 H 1 1.74 0.02 . 1 . . . . . . . . 4890 1 122 . 1 1 20 20 LYS HG2 H 1 1.33 0.02 . 1 . . . . . . . . 4890 1 123 . 1 1 20 20 LYS HG3 H 1 1.33 0.02 . 1 . . . . . . . . 4890 1 124 . 1 1 20 20 LYS HD2 H 1 1.52 0.02 . 1 . . . . . . . . 4890 1 125 . 1 1 20 20 LYS HD3 H 1 1.52 0.02 . 1 . . . . . . . . 4890 1 126 . 1 1 20 20 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4890 1 127 . 1 1 20 20 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4890 1 128 . 1 1 21 21 LEU H H 1 8.65 0.02 . 1 . . . . . . . . 4890 1 129 . 1 1 21 21 LEU HA H 1 4.47 0.02 . 1 . . . . . . . . 4890 1 130 . 1 1 21 21 LEU HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4890 1 131 . 1 1 21 21 LEU HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4890 1 132 . 1 1 21 21 LEU HG H 1 1.25 0.02 . 1 . . . . . . . . 4890 1 133 . 1 1 21 21 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4890 1 134 . 1 1 21 21 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4890 1 135 . 1 1 21 21 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4890 1 136 . 1 1 21 21 LEU HD21 H 1 0.66 0.02 . 2 . . . . . . . . 4890 1 137 . 1 1 21 21 LEU HD22 H 1 0.66 0.02 . 2 . . . . . . . . 4890 1 138 . 1 1 21 21 LEU HD23 H 1 0.66 0.02 . 2 . . . . . . . . 4890 1 139 . 1 1 22 22 MET H H 1 8.56 0.02 . 1 . . . . . . . . 4890 1 140 . 1 1 22 22 MET HA H 1 5.37 0.02 . 1 . . . . . . . . 4890 1 141 . 1 1 22 22 MET HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4890 1 142 . 1 1 22 22 MET HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4890 1 143 . 1 1 22 22 MET HG2 H 1 2.36 0.02 . 2 . . . . . . . . 4890 1 144 . 1 1 22 22 MET HG3 H 1 2.18 0.02 . 2 . . . . . . . . 4890 1 145 . 1 1 23 23 VAL H H 1 9.32 0.02 . 1 . . . . . . . . 4890 1 146 . 1 1 23 23 VAL HA H 1 4.93 0.02 . 1 . . . . . . . . 4890 1 147 . 1 1 23 23 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 4890 1 148 . 1 1 23 23 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 4890 1 149 . 1 1 23 23 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 4890 1 150 . 1 1 23 23 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 4890 1 151 . 1 1 23 23 VAL HG21 H 1 0.82 0.02 . 2 . . . . . . . . 4890 1 152 . 1 1 23 23 VAL HG22 H 1 0.82 0.02 . 2 . . . . . . . . 4890 1 153 . 1 1 23 23 VAL HG23 H 1 0.82 0.02 . 2 . . . . . . . . 4890 1 154 . 1 1 24 24 ASN H H 1 7.78 0.02 . 1 . . . . . . . . 4890 1 155 . 1 1 24 24 ASN HA H 1 4.99 0.02 . 1 . . . . . . . . 4890 1 156 . 1 1 24 24 ASN HB2 H 1 3.04 0.02 . 1 . . . . . . . . 4890 1 157 . 1 1 24 24 ASN HB3 H 1 3.04 0.02 . 1 . . . . . . . . 4890 1 158 . 1 1 24 24 ASN HD21 H 1 6.57 0.02 . 1 . . . . . . . . 4890 1 159 . 1 1 24 24 ASN HD22 H 1 6.57 0.02 . 1 . . . . . . . . 4890 1 160 . 1 1 25 25 VAL H H 1 9.87 0.02 . 1 . . . . . . . . 4890 1 161 . 1 1 25 25 VAL HA H 1 3.91 0.02 . 1 . . . . . . . . 4890 1 162 . 1 1 25 25 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 4890 1 163 . 1 1 25 25 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 4890 1 164 . 1 1 25 25 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 4890 1 165 . 1 1 25 25 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4890 1 166 . 1 1 25 25 VAL HG21 H 1 0.93 0.02 . 2 . . . . . . . . 4890 1 167 . 1 1 25 25 VAL HG22 H 1 0.93 0.02 . 2 . . . . . . . . 4890 1 168 . 1 1 25 25 VAL HG23 H 1 0.93 0.02 . 2 . . . . . . . . 4890 1 169 . 1 1 26 26 CYS H H 1 7.04 0.02 . 1 . . . . . . . . 4890 1 170 . 1 1 26 26 CYS HA H 1 4.62 0.02 . 1 . . . . . . . . 4890 1 171 . 1 1 26 26 CYS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 4890 1 172 . 1 1 26 26 CYS HB3 H 1 2.75 0.02 . 1 . . . . . . . . 4890 1 173 . 1 1 27 27 GLY H H 1 7.67 0.02 . 1 . . . . . . . . 4890 1 174 . 1 1 27 27 GLY HA2 H 1 3.50 0.02 . 2 . . . . . . . . 4890 1 175 . 1 1 27 27 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 4890 1 176 . 1 1 28 28 HIS H H 1 8.14 0.02 . 1 . . . . . . . . 4890 1 177 . 1 1 28 28 HIS HA H 1 5.07 0.02 . 1 . . . . . . . . 4890 1 178 . 1 1 28 28 HIS HB2 H 1 3.11 0.02 . 1 . . . . . . . . 4890 1 179 . 1 1 28 28 HIS HB3 H 1 3.40 0.02 . 1 . . . . . . . . 4890 1 180 . 1 1 28 28 HIS HD2 H 1 7.28 0.02 . 1 . . . . . . . . 4890 1 181 . 1 1 28 28 HIS HE1 H 1 7.88 0.02 . 1 . . . . . . . . 4890 1 182 . 1 1 29 29 THR H H 1 9.07 0.02 . 1 . . . . . . . . 4890 1 183 . 1 1 29 29 THR HA H 1 5.09 0.02 . 1 . . . . . . . . 4890 1 184 . 1 1 29 29 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 4890 1 185 . 1 1 29 29 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 4890 1 186 . 1 1 29 29 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 4890 1 187 . 1 1 29 29 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 4890 1 188 . 1 1 30 30 LEU H H 1 8.94 0.02 . 1 . . . . . . . . 4890 1 189 . 1 1 30 30 LEU HA H 1 5.03 0.02 . 1 . . . . . . . . 4890 1 190 . 1 1 30 30 LEU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4890 1 191 . 1 1 30 30 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 4890 1 192 . 1 1 30 30 LEU HG H 1 1.01 0.02 . 1 . . . . . . . . 4890 1 193 . 1 1 30 30 LEU HD11 H 1 0.66 0.02 . 2 . . . . . . . . 4890 1 194 . 1 1 30 30 LEU HD12 H 1 0.66 0.02 . 2 . . . . . . . . 4890 1 195 . 1 1 30 30 LEU HD13 H 1 0.66 0.02 . 2 . . . . . . . . 4890 1 196 . 1 1 30 30 LEU HD21 H 1 0.01 0.02 . 2 . . . . . . . . 4890 1 197 . 1 1 30 30 LEU HD22 H 1 0.01 0.02 . 2 . . . . . . . . 4890 1 198 . 1 1 30 30 LEU HD23 H 1 0.01 0.02 . 2 . . . . . . . . 4890 1 199 . 1 1 31 31 CYS H H 1 9.37 0.02 . 1 . . . . . . . . 4890 1 200 . 1 1 31 31 CYS HA H 1 5.43 0.02 . 1 . . . . . . . . 4890 1 201 . 1 1 31 31 CYS HB2 H 1 3.47 0.02 . 1 . . . . . . . . 4890 1 202 . 1 1 31 31 CYS HB3 H 1 2.79 0.02 . 1 . . . . . . . . 4890 1 203 . 1 1 32 32 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 4890 1 204 . 1 1 32 32 GLU HA H 1 3.72 0.02 . 1 . . . . . . . . 4890 1 205 . 1 1 32 32 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4890 1 206 . 1 1 32 32 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4890 1 207 . 1 1 32 32 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 4890 1 208 . 1 1 32 32 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 4890 1 209 . 1 1 33 33 SER H H 1 7.97 0.02 . 1 . . . . . . . . 4890 1 210 . 1 1 33 33 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 4890 1 211 . 1 1 33 33 SER HB2 H 1 4.09 0.02 . 1 . . . . . . . . 4890 1 212 . 1 1 33 33 SER HB3 H 1 4.05 0.02 . 1 . . . . . . . . 4890 1 213 . 1 1 34 34 CYS H H 1 8.96 0.02 . 1 . . . . . . . . 4890 1 214 . 1 1 34 34 CYS HA H 1 3.96 0.02 . 1 . . . . . . . . 4890 1 215 . 1 1 34 34 CYS HB2 H 1 2.82 0.02 . 1 . . . . . . . . 4890 1 216 . 1 1 34 34 CYS HB3 H 1 3.32 0.02 . 1 . . . . . . . . 4890 1 217 . 1 1 35 35 VAL H H 1 8.59 0.02 . 1 . . . . . . . . 4890 1 218 . 1 1 35 35 VAL HA H 1 3.34 0.02 . 1 . . . . . . . . 4890 1 219 . 1 1 35 35 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 4890 1 220 . 1 1 35 35 VAL HG11 H 1 0.39 0.02 . 2 . . . . . . . . 4890 1 221 . 1 1 35 35 VAL HG12 H 1 0.39 0.02 . 2 . . . . . . . . 4890 1 222 . 1 1 35 35 VAL HG13 H 1 0.39 0.02 . 2 . . . . . . . . 4890 1 223 . 1 1 35 35 VAL HG21 H 1 0.01 0.02 . 2 . . . . . . . . 4890 1 224 . 1 1 35 35 VAL HG22 H 1 0.01 0.02 . 2 . . . . . . . . 4890 1 225 . 1 1 35 35 VAL HG23 H 1 0.01 0.02 . 2 . . . . . . . . 4890 1 226 . 1 1 36 36 ASP H H 1 8.08 0.02 . 1 . . . . . . . . 4890 1 227 . 1 1 36 36 ASP HA H 1 4.30 0.02 . 1 . . . . . . . . 4890 1 228 . 1 1 36 36 ASP HB2 H 1 2.61 0.02 . 1 . . . . . . . . 4890 1 229 . 1 1 36 36 ASP HB3 H 1 2.74 0.02 . 1 . . . . . . . . 4890 1 230 . 1 1 37 37 LEU H H 1 7.66 0.02 . 1 . . . . . . . . 4890 1 231 . 1 1 37 37 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4890 1 232 . 1 1 37 37 LEU HB2 H 1 2.28 0.02 . 2 . . . . . . . . 4890 1 233 . 1 1 37 37 LEU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4890 1 234 . 1 1 37 37 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 4890 1 235 . 1 1 37 37 LEU HD11 H 1 1.37 0.02 . 2 . . . . . . . . 4890 1 236 . 1 1 37 37 LEU HD12 H 1 1.37 0.02 . 2 . . . . . . . . 4890 1 237 . 1 1 37 37 LEU HD13 H 1 1.37 0.02 . 2 . . . . . . . . 4890 1 238 . 1 1 37 37 LEU HD21 H 1 1.20 0.02 . 2 . . . . . . . . 4890 1 239 . 1 1 37 37 LEU HD22 H 1 1.20 0.02 . 2 . . . . . . . . 4890 1 240 . 1 1 37 37 LEU HD23 H 1 1.20 0.02 . 2 . . . . . . . . 4890 1 241 . 1 1 38 38 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 4890 1 242 . 1 1 38 38 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4890 1 243 . 1 1 38 38 LEU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4890 1 244 . 1 1 38 38 LEU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4890 1 245 . 1 1 38 38 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 4890 1 246 . 1 1 38 38 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 4890 1 247 . 1 1 38 38 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 4890 1 248 . 1 1 38 38 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 4890 1 249 . 1 1 38 38 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 4890 1 250 . 1 1 38 38 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 4890 1 251 . 1 1 38 38 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 4890 1 252 . 1 1 39 39 PHE H H 1 8.21 0.02 . 1 . . . . . . . . 4890 1 253 . 1 1 39 39 PHE HA H 1 4.58 0.02 . 1 . . . . . . . . 4890 1 254 . 1 1 39 39 PHE HB2 H 1 3.02 0.02 . 1 . . . . . . . . 4890 1 255 . 1 1 39 39 PHE HB3 H 1 3.17 0.02 . 1 . . . . . . . . 4890 1 256 . 1 1 39 39 PHE HD1 H 1 7.34 0.02 . 1 . . . . . . . . 4890 1 257 . 1 1 39 39 PHE HD2 H 1 7.34 0.02 . 1 . . . . . . . . 4890 1 258 . 1 1 39 39 PHE HE1 H 1 7.14 0.02 . 1 . . . . . . . . 4890 1 259 . 1 1 39 39 PHE HE2 H 1 7.14 0.02 . 1 . . . . . . . . 4890 1 260 . 1 1 39 39 PHE HZ H 1 7.08 0.02 . 1 . . . . . . . . 4890 1 261 . 1 1 40 40 VAL H H 1 7.34 0.02 . 1 . . . . . . . . 4890 1 262 . 1 1 40 40 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 4890 1 263 . 1 1 40 40 VAL HB H 1 2.27 0.02 . 1 . . . . . . . . 4890 1 264 . 1 1 40 40 VAL HG11 H 1 1.09 0.02 . 2 . . . . . . . . 4890 1 265 . 1 1 40 40 VAL HG12 H 1 1.09 0.02 . 2 . . . . . . . . 4890 1 266 . 1 1 40 40 VAL HG13 H 1 1.09 0.02 . 2 . . . . . . . . 4890 1 267 . 1 1 40 40 VAL HG21 H 1 1.04 0.02 . 2 . . . . . . . . 4890 1 268 . 1 1 40 40 VAL HG22 H 1 1.04 0.02 . 2 . . . . . . . . 4890 1 269 . 1 1 40 40 VAL HG23 H 1 1.04 0.02 . 2 . . . . . . . . 4890 1 270 . 1 1 41 41 ARG H H 1 8.71 0.02 . 1 . . . . . . . . 4890 1 271 . 1 1 41 41 ARG HA H 1 4.45 0.02 . 1 . . . . . . . . 4890 1 272 . 1 1 41 41 ARG HB2 H 1 2.18 0.02 . 1 . . . . . . . . 4890 1 273 . 1 1 41 41 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4890 1 274 . 1 1 41 41 ARG HG2 H 1 1.76 0.02 . 1 . . . . . . . . 4890 1 275 . 1 1 41 41 ARG HG3 H 1 1.72 0.02 . 1 . . . . . . . . 4890 1 276 . 1 1 41 41 ARG HD2 H 1 3.29 0.02 . 1 . . . . . . . . 4890 1 277 . 1 1 41 41 ARG HD3 H 1 3.25 0.02 . 1 . . . . . . . . 4890 1 278 . 1 1 42 42 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 4890 1 279 . 1 1 42 42 GLY HA2 H 1 4.53 0.02 . 2 . . . . . . . . 4890 1 280 . 1 1 42 42 GLY HA3 H 1 3.75 0.02 . 2 . . . . . . . . 4890 1 281 . 1 1 43 43 ALA H H 1 7.72 0.02 . 1 . . . . . . . . 4890 1 282 . 1 1 43 43 ALA HA H 1 5.23 0.02 . 1 . . . . . . . . 4890 1 283 . 1 1 43 43 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 4890 1 284 . 1 1 43 43 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 4890 1 285 . 1 1 43 43 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 4890 1 286 . 1 1 44 44 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 4890 1 287 . 1 1 44 44 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 4890 1 288 . 1 1 44 44 GLY HA3 H 1 3.37 0.02 . 2 . . . . . . . . 4890 1 289 . 1 1 45 45 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 4890 1 290 . 1 1 45 45 ASN HA H 1 5.28 0.02 . 1 . . . . . . . . 4890 1 291 . 1 1 45 45 ASN HB2 H 1 2.24 0.02 . 1 . . . . . . . . 4890 1 292 . 1 1 45 45 ASN HB3 H 1 2.41 0.02 . 1 . . . . . . . . 4890 1 293 . 1 1 45 45 ASN HD21 H 1 7.35 0.02 . 1 . . . . . . . . 4890 1 294 . 1 1 45 45 ASN HD22 H 1 6.83 0.02 . 1 . . . . . . . . 4890 1 295 . 1 1 46 46 CYS H H 1 9.18 0.02 . 1 . . . . . . . . 4890 1 296 . 1 1 46 46 CYS HA H 1 4.53 0.02 . 1 . . . . . . . . 4890 1 297 . 1 1 46 46 CYS HB2 H 1 3.20 0.02 . 1 . . . . . . . . 4890 1 298 . 1 1 46 46 CYS HB3 H 1 3.31 0.02 . 1 . . . . . . . . 4890 1 299 . 1 1 47 47 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 4890 1 300 . 1 1 47 47 PRO HB2 H 1 2.38 0.02 . 2 . . . . . . . . 4890 1 301 . 1 1 47 47 PRO HB3 H 1 2.20 0.02 . 2 . . . . . . . . 4890 1 302 . 1 1 47 47 PRO HG2 H 1 2.05 0.02 . 1 . . . . . . . . 4890 1 303 . 1 1 47 47 PRO HG3 H 1 2.05 0.02 . 1 . . . . . . . . 4890 1 304 . 1 1 47 47 PRO HD2 H 1 4.52 0.02 . 2 . . . . . . . . 4890 1 305 . 1 1 47 47 PRO HD3 H 1 4.02 0.02 . 2 . . . . . . . . 4890 1 306 . 1 1 48 48 GLU H H 1 8.87 0.02 . 1 . . . . . . . . 4890 1 307 . 1 1 48 48 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 4890 1 308 . 1 1 48 48 GLU HB2 H 1 1.54 0.02 . 1 . . . . . . . . 4890 1 309 . 1 1 48 48 GLU HB3 H 1 1.37 0.02 . 1 . . . . . . . . 4890 1 310 . 1 1 48 48 GLU HG2 H 1 1.82 0.02 . 2 . . . . . . . . 4890 1 311 . 1 1 48 48 GLU HG3 H 1 1.65 0.02 . 2 . . . . . . . . 4890 1 312 . 1 1 49 49 CYS H H 1 7.97 0.02 . 1 . . . . . . . . 4890 1 313 . 1 1 49 49 CYS HA H 1 5.11 0.02 . 1 . . . . . . . . 4890 1 314 . 1 1 49 49 CYS HB2 H 1 3.53 0.02 . 2 . . . . . . . . 4890 1 315 . 1 1 49 49 CYS HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4890 1 316 . 1 1 50 50 GLY H H 1 8.36 0.02 . 1 . . . . . . . . 4890 1 317 . 1 1 50 50 GLY HA2 H 1 4.30 0.02 . 2 . . . . . . . . 4890 1 318 . 1 1 50 50 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 4890 1 319 . 1 1 51 51 THR H H 1 8.24 0.02 . 1 . . . . . . . . 4890 1 320 . 1 1 51 51 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 4890 1 321 . 1 1 51 51 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 4890 1 322 . 1 1 51 51 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4890 1 323 . 1 1 51 51 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4890 1 324 . 1 1 51 51 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4890 1 325 . 1 1 52 52 PRO HA H 1 4.82 0.02 . 1 . . . . . . . . 4890 1 326 . 1 1 52 52 PRO HB2 H 1 2.36 0.02 . 2 . . . . . . . . 4890 1 327 . 1 1 52 52 PRO HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4890 1 328 . 1 1 52 52 PRO HG2 H 1 2.19 0.02 . 2 . . . . . . . . 4890 1 329 . 1 1 52 52 PRO HG3 H 1 2.02 0.02 . 2 . . . . . . . . 4890 1 330 . 1 1 52 52 PRO HD2 H 1 4.09 0.02 . 1 . . . . . . . . 4890 1 331 . 1 1 52 52 PRO HD3 H 1 3.79 0.02 . 1 . . . . . . . . 4890 1 332 . 1 1 53 53 LEU H H 1 9.02 0.02 . 1 . . . . . . . . 4890 1 333 . 1 1 53 53 LEU HA H 1 4.82 0.02 . 1 . . . . . . . . 4890 1 334 . 1 1 53 53 LEU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4890 1 335 . 1 1 53 53 LEU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4890 1 336 . 1 1 53 53 LEU HG H 1 1.25 0.02 . 1 . . . . . . . . 4890 1 337 . 1 1 53 53 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 4890 1 338 . 1 1 53 53 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 4890 1 339 . 1 1 53 53 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 4890 1 340 . 1 1 53 53 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 4890 1 341 . 1 1 53 53 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 4890 1 342 . 1 1 53 53 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 4890 1 343 . 1 1 54 54 ARG H H 1 9.18 0.02 . 1 . . . . . . . . 4890 1 344 . 1 1 54 54 ARG HA H 1 4.52 0.02 . 1 . . . . . . . . 4890 1 345 . 1 1 54 54 ARG HD2 H 1 3.75 0.02 . 1 . . . . . . . . 4890 1 346 . 1 1 54 54 ARG HD3 H 1 3.75 0.02 . 1 . . . . . . . . 4890 1 347 . 1 1 55 55 LYS H H 1 8.87 0.02 . 1 . . . . . . . . 4890 1 348 . 1 1 55 55 LYS HA H 1 4.97 0.02 . 1 . . . . . . . . 4890 1 349 . 1 1 55 55 LYS HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4890 1 350 . 1 1 55 55 LYS HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4890 1 351 . 1 1 55 55 LYS HG2 H 1 1.73 0.02 . 1 . . . . . . . . 4890 1 352 . 1 1 55 55 LYS HG3 H 1 1.73 0.02 . 1 . . . . . . . . 4890 1 353 . 1 1 55 55 LYS HD2 H 1 1.80 0.02 . 1 . . . . . . . . 4890 1 354 . 1 1 55 55 LYS HD3 H 1 1.80 0.02 . 1 . . . . . . . . 4890 1 355 . 1 1 55 55 LYS HE2 H 1 3.22 0.02 . 1 . . . . . . . . 4890 1 356 . 1 1 55 55 LYS HE3 H 1 3.22 0.02 . 1 . . . . . . . . 4890 1 357 . 1 1 56 56 SER H H 1 8.84 0.02 . 1 . . . . . . . . 4890 1 358 . 1 1 56 56 SER HA H 1 4.97 0.02 . 1 . . . . . . . . 4890 1 359 . 1 1 56 56 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 4890 1 360 . 1 1 56 56 SER HB3 H 1 3.71 0.02 . 1 . . . . . . . . 4890 1 361 . 1 1 57 57 ASN H H 1 7.20 0.02 . 1 . . . . . . . . 4890 1 362 . 1 1 57 57 ASN HA H 1 4.96 0.02 . 1 . . . . . . . . 4890 1 363 . 1 1 57 57 ASN HB2 H 1 2.99 0.02 . 1 . . . . . . . . 4890 1 364 . 1 1 57 57 ASN HB3 H 1 2.70 0.02 . 1 . . . . . . . . 4890 1 365 . 1 1 57 57 ASN HD21 H 1 7.83 0.02 . 1 . . . . . . . . 4890 1 366 . 1 1 57 57 ASN HD22 H 1 6.36 0.02 . 1 . . . . . . . . 4890 1 367 . 1 1 58 58 PHE H H 1 7.59 0.02 . 1 . . . . . . . . 4890 1 368 . 1 1 58 58 PHE HA H 1 4.61 0.02 . 1 . . . . . . . . 4890 1 369 . 1 1 58 58 PHE HB2 H 1 3.07 0.02 . 1 . . . . . . . . 4890 1 370 . 1 1 58 58 PHE HB3 H 1 2.97 0.02 . 1 . . . . . . . . 4890 1 371 . 1 1 58 58 PHE HD1 H 1 7.29 0.02 . 1 . . . . . . . . 4890 1 372 . 1 1 58 58 PHE HD2 H 1 7.29 0.02 . 1 . . . . . . . . 4890 1 373 . 1 1 58 58 PHE HE1 H 1 6.90 0.02 . 1 . . . . . . . . 4890 1 374 . 1 1 58 58 PHE HE2 H 1 6.90 0.02 . 1 . . . . . . . . 4890 1 375 . 1 1 58 58 PHE HZ H 1 6.90 0.02 . 1 . . . . . . . . 4890 1 376 . 1 1 59 59 ARG H H 1 9.12 0.02 . 1 . . . . . . . . 4890 1 377 . 1 1 59 59 ARG HA H 1 4.81 0.02 . 1 . . . . . . . . 4890 1 378 . 1 1 59 59 ARG HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4890 1 379 . 1 1 59 59 ARG HB3 H 1 1.76 0.02 . 1 . . . . . . . . 4890 1 380 . 1 1 59 59 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 4890 1 381 . 1 1 59 59 ARG HG3 H 1 1.51 0.02 . 2 . . . . . . . . 4890 1 382 . 1 1 59 59 ARG HD2 H 1 3.18 0.02 . 2 . . . . . . . . 4890 1 383 . 1 1 59 59 ARG HD3 H 1 3.15 0.02 . 2 . . . . . . . . 4890 1 384 . 1 1 60 60 VAL H H 1 8.61 0.02 . 1 . . . . . . . . 4890 1 385 . 1 1 60 60 VAL HA H 1 4.20 0.02 . 1 . . . . . . . . 4890 1 386 . 1 1 60 60 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4890 1 387 . 1 1 60 60 VAL HG11 H 1 1.04 0.02 . 2 . . . . . . . . 4890 1 388 . 1 1 60 60 VAL HG12 H 1 1.04 0.02 . 2 . . . . . . . . 4890 1 389 . 1 1 60 60 VAL HG13 H 1 1.04 0.02 . 2 . . . . . . . . 4890 1 390 . 1 1 60 60 VAL HG21 H 1 0.97 0.02 . 2 . . . . . . . . 4890 1 391 . 1 1 60 60 VAL HG22 H 1 0.97 0.02 . 2 . . . . . . . . 4890 1 392 . 1 1 60 60 VAL HG23 H 1 0.97 0.02 . 2 . . . . . . . . 4890 1 393 . 1 1 61 61 GLN H H 1 8.81 0.02 . 1 . . . . . . . . 4890 1 394 . 1 1 61 61 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 4890 1 395 . 1 1 61 61 GLN HB2 H 1 1.86 0.02 . 1 . . . . . . . . 4890 1 396 . 1 1 61 61 GLN HB3 H 1 1.60 0.02 . 1 . . . . . . . . 4890 1 397 . 1 1 61 61 GLN HG2 H 1 1.93 0.02 . 1 . . . . . . . . 4890 1 398 . 1 1 61 61 GLN HG3 H 1 1.93 0.02 . 1 . . . . . . . . 4890 1 399 . 1 1 62 62 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 4890 1 400 . 1 1 62 62 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 4890 1 401 . 1 1 62 62 LEU HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4890 1 402 . 1 1 62 62 LEU HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4890 1 403 . 1 1 62 62 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 4890 1 404 . 1 1 62 62 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 4890 1 405 . 1 1 62 62 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 4890 1 406 . 1 1 62 62 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 4890 1 407 . 1 1 62 62 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 4890 1 408 . 1 1 62 62 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 4890 1 409 . 1 1 63 63 PHE H H 1 8.50 0.02 . 1 . . . . . . . . 4890 1 410 . 1 1 63 63 PHE HA H 1 4.63 0.02 . 1 . . . . . . . . 4890 1 411 . 1 1 63 63 PHE HB2 H 1 2.95 0.02 . 1 . . . . . . . . 4890 1 412 . 1 1 63 63 PHE HB3 H 1 3.21 0.02 . 1 . . . . . . . . 4890 1 413 . 1 1 63 63 PHE HD1 H 1 7.29 0.02 . 1 . . . . . . . . 4890 1 414 . 1 1 63 63 PHE HD2 H 1 7.29 0.02 . 1 . . . . . . . . 4890 1 415 . 1 1 64 64 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 4890 1 416 . 1 1 64 64 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 4890 1 417 . 1 1 64 64 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4890 1 418 . 1 1 64 64 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4890 1 419 . 1 1 64 64 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 4890 1 420 . 1 1 64 64 GLU HG3 H 1 2.11 0.02 . 2 . . . . . . . . 4890 1 421 . 1 1 65 65 ASP H H 1 8.02 0.02 . 1 . . . . . . . . 4890 1 422 . 1 1 65 65 ASP HA H 1 4.38 0.02 . 1 . . . . . . . . 4890 1 423 . 1 1 65 65 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 4890 1 424 . 1 1 65 65 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4890 1 stop_ save_