data_5697 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5697 _Entry.Title ; 1H and 15N resonance assignments of the PDZ domain of ZASP in complex with the EF hand domains of alpha-actinin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-17 _Entry.Accession_date 2003-02-17 _Entry.Last_release_date 2004-04-07 _Entry.Original_release_date 2004-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yunghan Au . . . 5697 2 R. Atkinson . Andrew . 5697 3 Georgine Faulkner . . . 5697 4 Thomas Frenkiel . A. . 5697 5 Catherine Joseph . . . 5697 6 Geoff Kelly . . . 5697 7 Frederick Muskett . W. . 5697 8 Alberto Pallavicini . . . 5697 9 Annalisa Pastore . . . 5697 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5697 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 434 5697 '15N chemical shifts' 82 5697 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 . . 2004-04-07 2003-02-17 original author . 5697 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5696 'ZASP-PDZ domain' 5697 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5697 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15062084 _Citation.Full_citation . _Citation.Title ; Solution Structure of ZASP PDZ Domain; Implications for Sarcomere Ultrastructure and Enigma Family Redundancy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Cambridge, MA, U. S.)' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 4 _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 611 _Citation.Page_last 622 _Citation.Year 2004 _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 Yunghan Au . . . 5697 1 2 R. Atkinson . Andrew . 5697 1 3 R. Guerrini . . . 5697 1 4 Geoff Kelly . . . 5697 1 5 Catherine Joseph . . . 5697 1 6 S. Martin . R. . 5697 1 7 Frederick Muskett . W. . 5697 1 8 Alberto Pallavicini . . . 5697 1 9 Georgine Faulkner . . . 5697 1 10 Annalisa Pastore . . . 5697 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ZASP-PDZ_Act-EF1234 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ZASP-PDZ_Act-EF1234 _Assembly.Entry_ID 5697 _Assembly.ID 1 _Assembly.Name 'ZASP-PDZ domain in complex with Alpha-Actinin-2 EF-hand domains' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5697 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 'ZASP-PDZ Domain' 1 $ZASP-PDZ . . . native . . . . . 5697 1 2 'Alpha-Actinin-2 EF-hand domain' 2 $Act-EF1234 . . . native . . . . . 5697 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes Genbank AJ133766 . ZASP . . . ; Serine-2 has been replaced with an alanine in the molecule studied. Domain studied: residues 1-85 ; 5697 1 yes Genbank m86406 . alpha-actinin-2 . . . 'Domain studied: residues 745-894.' 5697 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ZASP-PDZ domain in complex with Alpha-Actinin-2 EF-hand domains' system 5697 1 ZASP-PDZ/Act-EF1234 abbreviation 5697 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'components of Z-disk in muscle sarcomere' 5697 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZASP-PDZ _Entity.Sf_category entity _Entity.Sf_framecode ZASP-PDZ _Entity.Entry_ID 5697 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Z-band alternatively spliced PDZ motif protein' _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 ; MAYSVTLTGPGPWGFRLQGG KDFNMPLTISRITPGSKAAQ SQLSQGDLVVAIDGVNTDTM THLEAQNKIKSASYNLSLTL QKSKR ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9139.40 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4D1E . "The Crystal Structure Of Human Muscle Alpha-actinin-2" . . . . . 98.70 876 98.03 98.68 1.12e-99 . . . . 5697 1 2 no DBJ BAD92758 . "actinin, alpha 2 variant [Homo sapiens]" . . . . . 98.70 664 98.03 98.68 1.90e-102 . . . . 5697 1 3 no DBJ BAG37672 . "unnamed protein product [Homo sapiens]" . . . . . 98.70 894 98.03 98.68 1.01e-99 . . . . 5697 1 4 no DBJ BAH11921 . "unnamed protein product [Homo sapiens]" . . . . . 98.70 803 97.37 98.03 4.71e-100 . . . . 5697 1 5 no DBJ BAH12587 . "unnamed protein product [Homo sapiens]" . . . . . 98.70 679 98.03 98.68 5.16e-102 . . . . 5697 1 6 no DBJ BAH12632 . "unnamed protein product [Homo sapiens]" . . . . . 98.70 649 98.03 98.68 2.03e-102 . . . . 5697 1 7 no EMBL CAB61269 . "alpha-actinin 2 protein [Homo sapiens]" . . . . . 98.70 894 98.03 98.68 2.95e-98 . . . . 5697 1 8 no GB AAA51583 . "alpha-actinin [Homo sapiens]" . . . . . 98.70 894 98.03 98.68 2.95e-98 . . . . 5697 1 9 no GB AAH47901 . "Actinin, alpha 2 [Homo sapiens]" . . . . . 98.70 894 98.03 98.68 2.95e-98 . . . . 5697 1 10 no GB AAH51770 . "Actinin, alpha 2 [Homo sapiens]" . . . . . 98.70 894 98.03 98.68 2.95e-98 . . . . 5697 1 11 no GB AAI02909 . "Actinin, alpha 2 [Bos taurus]" . . . . . 98.70 894 97.37 98.03 6.75e-98 . . . . 5697 1 12 no GB AIC48214 . "ACTN2, partial [synthetic construct]" . . . . . 98.70 894 98.03 98.68 2.95e-98 . . . . 5697 1 13 no REF NP_001029807 . "alpha-actinin-2 [Bos taurus]" . . . . . 98.70 894 97.37 98.03 6.75e-98 . . . . 5697 1 14 no REF NP_001094 . "alpha-actinin-2 isoform 1 [Homo sapiens]" . . . . . 98.70 894 98.03 98.68 2.95e-98 . . . . 5697 1 15 no REF NP_001230595 . "alpha-actinin-2 [Sus scrofa]" . . . . . 98.70 894 97.37 98.03 6.75e-98 . . . . 5697 1 16 no REF NP_001265272 . "alpha-actinin-2 isoform 2 [Homo sapiens]" . . . . . 98.70 894 98.03 98.68 1.01e-99 . . . . 5697 1 17 no REF NP_001265273 . "alpha-actinin-2 isoform 3 [Homo sapiens]" . . . . . 98.70 686 98.03 98.68 5.58e-102 . . . . 5697 1 18 no SP P35609 . "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" . . . . . 98.70 894 98.03 98.68 2.95e-98 . . . . 5697 1 19 no SP Q3ZC55 . "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" . . . . . 98.70 894 97.37 98.03 6.75e-98 . . . . 5697 1 20 no TPG DAA14356 . "TPA: alpha-actinin-2 [Bos taurus]" . . . . . 71.43 852 97.27 98.18 6.74e-66 . . . . 5697 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Z-band alternatively spliced PDZ motif protein' common 5697 1 ZASP-PDZ abbreviation 5697 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 . 5697 1 2 . ALA . 5697 1 3 . TYR . 5697 1 4 . SER . 5697 1 5 . VAL . 5697 1 6 . THR . 5697 1 7 . LEU . 5697 1 8 . THR . 5697 1 9 . GLY . 5697 1 10 . PRO . 5697 1 11 . GLY . 5697 1 12 . PRO . 5697 1 13 . TRP . 5697 1 14 . GLY . 5697 1 15 . PHE . 5697 1 16 . ARG . 5697 1 17 . LEU . 5697 1 18 . GLN . 5697 1 19 . GLY . 5697 1 20 . GLY . 5697 1 21 . LYS . 5697 1 22 . ASP . 5697 1 23 . PHE . 5697 1 24 . ASN . 5697 1 25 . MET . 5697 1 26 . PRO . 5697 1 27 . LEU . 5697 1 28 . THR . 5697 1 29 . ILE . 5697 1 30 . SER . 5697 1 31 . ARG . 5697 1 32 . ILE . 5697 1 33 . THR . 5697 1 34 . PRO . 5697 1 35 . GLY . 5697 1 36 . SER . 5697 1 37 . LYS . 5697 1 38 . ALA . 5697 1 39 . ALA . 5697 1 40 . GLN . 5697 1 41 . SER . 5697 1 42 . GLN . 5697 1 43 . LEU . 5697 1 44 . SER . 5697 1 45 . GLN . 5697 1 46 . GLY . 5697 1 47 . ASP . 5697 1 48 . LEU . 5697 1 49 . VAL . 5697 1 50 . VAL . 5697 1 51 . ALA . 5697 1 52 . ILE . 5697 1 53 . ASP . 5697 1 54 . GLY . 5697 1 55 . VAL . 5697 1 56 . ASN . 5697 1 57 . THR . 5697 1 58 . ASP . 5697 1 59 . THR . 5697 1 60 . MET . 5697 1 61 . THR . 5697 1 62 . HIS . 5697 1 63 . LEU . 5697 1 64 . GLU . 5697 1 65 . ALA . 5697 1 66 . GLN . 5697 1 67 . ASN . 5697 1 68 . LYS . 5697 1 69 . ILE . 5697 1 70 . LYS . 5697 1 71 . SER . 5697 1 72 . ALA . 5697 1 73 . SER . 5697 1 74 . TYR . 5697 1 75 . ASN . 5697 1 76 . LEU . 5697 1 77 . SER . 5697 1 78 . LEU . 5697 1 79 . THR . 5697 1 80 . LEU . 5697 1 81 . GLN . 5697 1 82 . LYS . 5697 1 83 . SER . 5697 1 84 . LYS . 5697 1 85 . ARG . 5697 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 5697 1 . ALA 2 2 5697 1 . TYR 3 3 5697 1 . SER 4 4 5697 1 . VAL 5 5 5697 1 . THR 6 6 5697 1 . LEU 7 7 5697 1 . THR 8 8 5697 1 . GLY 9 9 5697 1 . PRO 10 10 5697 1 . GLY 11 11 5697 1 . PRO 12 12 5697 1 . TRP 13 13 5697 1 . GLY 14 14 5697 1 . PHE 15 15 5697 1 . ARG 16 16 5697 1 . LEU 17 17 5697 1 . GLN 18 18 5697 1 . GLY 19 19 5697 1 . GLY 20 20 5697 1 . LYS 21 21 5697 1 . ASP 22 22 5697 1 . PHE 23 23 5697 1 . ASN 24 24 5697 1 . MET 25 25 5697 1 . PRO 26 26 5697 1 . LEU 27 27 5697 1 . THR 28 28 5697 1 . ILE 29 29 5697 1 . SER 30 30 5697 1 . ARG 31 31 5697 1 . ILE 32 32 5697 1 . THR 33 33 5697 1 . PRO 34 34 5697 1 . GLY 35 35 5697 1 . SER 36 36 5697 1 . LYS 37 37 5697 1 . ALA 38 38 5697 1 . ALA 39 39 5697 1 . GLN 40 40 5697 1 . SER 41 41 5697 1 . GLN 42 42 5697 1 . LEU 43 43 5697 1 . SER 44 44 5697 1 . GLN 45 45 5697 1 . GLY 46 46 5697 1 . ASP 47 47 5697 1 . LEU 48 48 5697 1 . VAL 49 49 5697 1 . VAL 50 50 5697 1 . ALA 51 51 5697 1 . ILE 52 52 5697 1 . ASP 53 53 5697 1 . GLY 54 54 5697 1 . VAL 55 55 5697 1 . ASN 56 56 5697 1 . THR 57 57 5697 1 . ASP 58 58 5697 1 . THR 59 59 5697 1 . MET 60 60 5697 1 . THR 61 61 5697 1 . HIS 62 62 5697 1 . LEU 63 63 5697 1 . GLU 64 64 5697 1 . ALA 65 65 5697 1 . GLN 66 66 5697 1 . ASN 67 67 5697 1 . LYS 68 68 5697 1 . ILE 69 69 5697 1 . LYS 70 70 5697 1 . SER 71 71 5697 1 . ALA 72 72 5697 1 . SER 73 73 5697 1 . TYR 74 74 5697 1 . ASN 75 75 5697 1 . LEU 76 76 5697 1 . SER 77 77 5697 1 . LEU 78 78 5697 1 . THR 79 79 5697 1 . LEU 80 80 5697 1 . GLN 81 81 5697 1 . LYS 82 82 5697 1 . SER 83 83 5697 1 . LYS 84 84 5697 1 . ARG 85 85 5697 1 stop_ save_ save_Act-EF1234 _Entity.Sf_category entity _Entity.Sf_framecode Act-EF1234 _Entity.Entry_ID 5697 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Alpha-Actinin-2 EF-hand domains' _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 ; GAMGRDAKGITQEQMNEFRA SFNHFDRRKNGLMDHEDFRA CLISMGYDLGEAEFARIMTL VDPNGQGTVTFQSFIDFMTR EPADTDTAEQVIASFRILAS DKPYILAEELRRELPPDQAQ YCIKRMPAYSGPGSVPGALD YAAFSSALYGESDL ; _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 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17163.2 _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 . . REF NP_001094 . 'actinin, alpha 2 [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . SWISS-PROT P35609 . 'Alpha-actinin-2 (Alpha-actinin skeletal muscle isoform 2) (F-actin cross-linking protein)' . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . GenBank EAW70064 . 'actinin, alpha 2, isoform CRA_a [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . GenBank EAW70065 . 'actinin, alpha 2, isoform CRA_b [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 1.42e-85 . . . . 5697 2 . . GenBank AAH47901 . 'Actinin, alpha 2 [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . GenBank AAH51770 . 'Actinin, alpha 2 [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . EMBL CAI13778 . 'actinin, alpha 2 [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . GenBank AAA51583 . alpha-actinin . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . EMBL CAB61269 . 'alpha-actinin 2 protein [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . EMBL CAH73201 . 'actinin, alpha 2 [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 2.08e-84 . . . . 5697 2 . . DBJ BAD92758 . 'actinin, alpha 2 variant [Homo sapiens]' . . . . . 98.70 664 98.03 98.68 4.33e-86 . . . . 5697 2 . . DBJ BAG37672 . 'unnamed protein product [Homo sapiens]' . . . . . 98.70 894 98.03 98.68 1.42e-85 . . . . 5697 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Alpha-Actinin-2 EF-hand domains' common 5697 2 Act-EF1234 abbreviation 5697 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 -3 GLY . 5697 2 2 -2 ALA . 5697 2 3 -1 MET . 5697 2 4 0 GLY . 5697 2 5 745 ARG . 5697 2 6 746 ASP . 5697 2 7 747 ALA . 5697 2 8 748 LYS . 5697 2 9 749 GLY . 5697 2 10 750 ILE . 5697 2 11 751 THR . 5697 2 12 752 GLN . 5697 2 13 753 GLU . 5697 2 14 754 GLN . 5697 2 15 755 MET . 5697 2 16 756 ASN . 5697 2 17 757 GLU . 5697 2 18 758 PHE . 5697 2 19 759 ARG . 5697 2 20 760 ALA . 5697 2 21 761 SER . 5697 2 22 762 PHE . 5697 2 23 763 ASN . 5697 2 24 764 HIS . 5697 2 25 765 PHE . 5697 2 26 766 ASP . 5697 2 27 767 ARG . 5697 2 28 768 ARG . 5697 2 29 769 LYS . 5697 2 30 770 ASN . 5697 2 31 771 GLY . 5697 2 32 772 LEU . 5697 2 33 773 MET . 5697 2 34 774 ASP . 5697 2 35 775 HIS . 5697 2 36 776 GLU . 5697 2 37 777 ASP . 5697 2 38 778 PHE . 5697 2 39 779 ARG . 5697 2 40 780 ALA . 5697 2 41 781 CYS . 5697 2 42 782 LEU . 5697 2 43 783 ILE . 5697 2 44 784 SER . 5697 2 45 785 MET . 5697 2 46 786 GLY . 5697 2 47 787 TYR . 5697 2 48 788 ASP . 5697 2 49 789 LEU . 5697 2 50 790 GLY . 5697 2 51 791 GLU . 5697 2 52 792 ALA . 5697 2 53 793 GLU . 5697 2 54 794 PHE . 5697 2 55 795 ALA . 5697 2 56 796 ARG . 5697 2 57 797 ILE . 5697 2 58 798 MET . 5697 2 59 799 THR . 5697 2 60 800 LEU . 5697 2 61 801 VAL . 5697 2 62 802 ASP . 5697 2 63 803 PRO . 5697 2 64 804 ASN . 5697 2 65 805 GLY . 5697 2 66 806 GLN . 5697 2 67 807 GLY . 5697 2 68 808 THR . 5697 2 69 809 VAL . 5697 2 70 810 THR . 5697 2 71 811 PHE . 5697 2 72 812 GLN . 5697 2 73 813 SER . 5697 2 74 814 PHE . 5697 2 75 815 ILE . 5697 2 76 816 ASP . 5697 2 77 817 PHE . 5697 2 78 818 MET . 5697 2 79 819 THR . 5697 2 80 820 ARG . 5697 2 81 821 GLU . 5697 2 82 822 PRO . 5697 2 83 823 ALA . 5697 2 84 824 ASP . 5697 2 85 825 THR . 5697 2 86 826 ASP . 5697 2 87 827 THR . 5697 2 88 828 ALA . 5697 2 89 829 GLU . 5697 2 90 830 GLN . 5697 2 91 831 VAL . 5697 2 92 832 ILE . 5697 2 93 833 ALA . 5697 2 94 834 SER . 5697 2 95 835 PHE . 5697 2 96 836 ARG . 5697 2 97 837 ILE . 5697 2 98 838 LEU . 5697 2 99 839 ALA . 5697 2 100 840 SER . 5697 2 101 841 ASP . 5697 2 102 842 LYS . 5697 2 103 843 PRO . 5697 2 104 844 TYR . 5697 2 105 845 ILE . 5697 2 106 846 LEU . 5697 2 107 847 ALA . 5697 2 108 848 GLU . 5697 2 109 849 GLU . 5697 2 110 850 LEU . 5697 2 111 851 ARG . 5697 2 112 852 ARG . 5697 2 113 853 GLU . 5697 2 114 854 LEU . 5697 2 115 855 PRO . 5697 2 116 856 PRO . 5697 2 117 857 ASP . 5697 2 118 858 GLN . 5697 2 119 859 ALA . 5697 2 120 860 GLN . 5697 2 121 861 TYR . 5697 2 122 862 CYS . 5697 2 123 863 ILE . 5697 2 124 864 LYS . 5697 2 125 865 ARG . 5697 2 126 866 MET . 5697 2 127 867 PRO . 5697 2 128 868 ALA . 5697 2 129 869 TYR . 5697 2 130 870 SER . 5697 2 131 871 GLY . 5697 2 132 872 PRO . 5697 2 133 873 GLY . 5697 2 134 874 SER . 5697 2 135 875 VAL . 5697 2 136 876 PRO . 5697 2 137 877 GLY . 5697 2 138 878 ALA . 5697 2 139 879 LEU . 5697 2 140 880 ASP . 5697 2 141 881 TYR . 5697 2 142 882 ALA . 5697 2 143 883 ALA . 5697 2 144 884 PHE . 5697 2 145 885 SER . 5697 2 146 886 SER . 5697 2 147 887 ALA . 5697 2 148 888 LEU . 5697 2 149 889 TYR . 5697 2 150 890 GLY . 5697 2 151 891 GLU . 5697 2 152 892 SER . 5697 2 153 893 ASP . 5697 2 154 894 LEU . 5697 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 . GLY 1 1 5697 2 . ALA 2 2 5697 2 . MET 3 3 5697 2 . GLY 4 4 5697 2 . ARG 5 5 5697 2 . ASP 6 6 5697 2 . ALA 7 7 5697 2 . LYS 8 8 5697 2 . GLY 9 9 5697 2 . ILE 10 10 5697 2 . THR 11 11 5697 2 . GLN 12 12 5697 2 . GLU 13 13 5697 2 . GLN 14 14 5697 2 . MET 15 15 5697 2 . ASN 16 16 5697 2 . GLU 17 17 5697 2 . PHE 18 18 5697 2 . ARG 19 19 5697 2 . ALA 20 20 5697 2 . SER 21 21 5697 2 . PHE 22 22 5697 2 . ASN 23 23 5697 2 . HIS 24 24 5697 2 . PHE 25 25 5697 2 . ASP 26 26 5697 2 . ARG 27 27 5697 2 . ARG 28 28 5697 2 . LYS 29 29 5697 2 . ASN 30 30 5697 2 . GLY 31 31 5697 2 . LEU 32 32 5697 2 . MET 33 33 5697 2 . ASP 34 34 5697 2 . HIS 35 35 5697 2 . GLU 36 36 5697 2 . ASP 37 37 5697 2 . PHE 38 38 5697 2 . ARG 39 39 5697 2 . ALA 40 40 5697 2 . CYS 41 41 5697 2 . LEU 42 42 5697 2 . ILE 43 43 5697 2 . SER 44 44 5697 2 . MET 45 45 5697 2 . GLY 46 46 5697 2 . TYR 47 47 5697 2 . ASP 48 48 5697 2 . LEU 49 49 5697 2 . GLY 50 50 5697 2 . GLU 51 51 5697 2 . ALA 52 52 5697 2 . GLU 53 53 5697 2 . PHE 54 54 5697 2 . ALA 55 55 5697 2 . ARG 56 56 5697 2 . ILE 57 57 5697 2 . MET 58 58 5697 2 . THR 59 59 5697 2 . LEU 60 60 5697 2 . VAL 61 61 5697 2 . ASP 62 62 5697 2 . PRO 63 63 5697 2 . ASN 64 64 5697 2 . GLY 65 65 5697 2 . GLN 66 66 5697 2 . GLY 67 67 5697 2 . THR 68 68 5697 2 . VAL 69 69 5697 2 . THR 70 70 5697 2 . PHE 71 71 5697 2 . GLN 72 72 5697 2 . SER 73 73 5697 2 . PHE 74 74 5697 2 . ILE 75 75 5697 2 . ASP 76 76 5697 2 . PHE 77 77 5697 2 . MET 78 78 5697 2 . THR 79 79 5697 2 . ARG 80 80 5697 2 . GLU 81 81 5697 2 . PRO 82 82 5697 2 . ALA 83 83 5697 2 . ASP 84 84 5697 2 . THR 85 85 5697 2 . ASP 86 86 5697 2 . THR 87 87 5697 2 . ALA 88 88 5697 2 . GLU 89 89 5697 2 . GLN 90 90 5697 2 . VAL 91 91 5697 2 . ILE 92 92 5697 2 . ALA 93 93 5697 2 . SER 94 94 5697 2 . PHE 95 95 5697 2 . ARG 96 96 5697 2 . ILE 97 97 5697 2 . LEU 98 98 5697 2 . ALA 99 99 5697 2 . SER 100 100 5697 2 . ASP 101 101 5697 2 . LYS 102 102 5697 2 . PRO 103 103 5697 2 . TYR 104 104 5697 2 . ILE 105 105 5697 2 . LEU 106 106 5697 2 . ALA 107 107 5697 2 . GLU 108 108 5697 2 . GLU 109 109 5697 2 . LEU 110 110 5697 2 . ARG 111 111 5697 2 . ARG 112 112 5697 2 . GLU 113 113 5697 2 . LEU 114 114 5697 2 . PRO 115 115 5697 2 . PRO 116 116 5697 2 . ASP 117 117 5697 2 . GLN 118 118 5697 2 . ALA 119 119 5697 2 . GLN 120 120 5697 2 . TYR 121 121 5697 2 . CYS 122 122 5697 2 . ILE 123 123 5697 2 . LYS 124 124 5697 2 . ARG 125 125 5697 2 . MET 126 126 5697 2 . PRO 127 127 5697 2 . ALA 128 128 5697 2 . TYR 129 129 5697 2 . SER 130 130 5697 2 . GLY 131 131 5697 2 . PRO 132 132 5697 2 . GLY 133 133 5697 2 . SER 134 134 5697 2 . VAL 135 135 5697 2 . PRO 136 136 5697 2 . GLY 137 137 5697 2 . ALA 138 138 5697 2 . LEU 139 139 5697 2 . ASP 140 140 5697 2 . TYR 141 141 5697 2 . ALA 142 142 5697 2 . ALA 143 143 5697 2 . PHE 144 144 5697 2 . SER 145 145 5697 2 . SER 146 146 5697 2 . ALA 147 147 5697 2 . LEU 148 148 5697 2 . TYR 149 149 5697 2 . GLY 150 150 5697 2 . GLU 151 151 5697 2 . SER 152 152 5697 2 . ASP 153 153 5697 2 . LEU 154 154 5697 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 5697 _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 $ZASP-PDZ . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . 'Cardiac and Skeletal Muscle' . . . . . . . . . . . . . . . . 5697 1 2 2 $Act-EF1234 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . 'Cardiac and Skeletal Muscle' . . . . . . . . . . . . . . . . 5697 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 5697 _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 $ZASP-PDZ . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5697 1 2 2 $Act-EF1234 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5697 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5697 _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 'Z-band alternatively spliced PDZ motif protein' [U-15N] . . 1 $ZASP-PDZ . . 0.14 . . mM . . . . 5697 1 2 'Alpha-Actinin-2 EF-hand domains' . . . 2 $Act-EF1234 . . 0.28 . . mM . . . . 5697 1 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5697 1 4 'sodium azide' . . . . . . . 0.2 . . '% v/v' . . . . 5697 1 5 'deuterium oxide' . . . . . . . 10 . . '% v/v' . . . . 5697 1 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5697 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 0.2 n/a 5697 1 temperature 300 1 K 5697 1 'ionic strength' 0.02 0.001 M 5697 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5697 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5697 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5697 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 5697 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5697 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5697 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _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 5697 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian UnityPlus . 500 . . . 5697 1 2 NMR_spectrometer_2 Varian UnityPlus . 600 . . . 5697 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 5697 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5697 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5697 1 3 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5697 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5697 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5697 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5697 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 5697 _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 . . . . . . . . . 5697 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5697 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_Assignment_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_1 _Assigned_chem_shift_list.Entry_ID 5697 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $Sample_1 . 5697 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 2 . 1 1 1 1 MET H H 1 8.53 0.02 . 1 . . . . . . . . 5697 1 3 . 1 1 2 2 ALA N N 15 125.10 0.05 . 1 . . . . . . . . 5697 1 4 . 1 1 2 2 ALA H H 1 8.06 0.02 . 1 . . . . . . . . 5697 1 5 . 1 1 2 2 ALA HA H 1 5.20 0.02 . 1 . . . . . . . . 5697 1 6 . 1 1 2 2 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 7 . 1 1 2 2 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 8 . 1 1 2 2 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 9 . 1 1 3 3 TYR N N 15 118.90 0.05 . 1 . . . . . . . . 5697 1 10 . 1 1 3 3 TYR H H 1 8.84 0.02 . 1 . . . . . . . . 5697 1 11 . 1 1 3 3 TYR HA H 1 4.82 0.02 . 1 . . . . . . . . 5697 1 12 . 1 1 3 3 TYR HB2 H 1 2.92 0.02 . 1 . . . . . . . . 5697 1 13 . 1 1 3 3 TYR HB3 H 1 2.92 0.02 . 1 . . . . . . . . 5697 1 14 . 1 1 3 3 TYR HD1 H 1 6.72 0.02 . 1 . . . . . . . . 5697 1 15 . 1 1 3 3 TYR HD2 H 1 6.72 0.02 . 1 . . . . . . . . 5697 1 16 . 1 1 4 4 SER N N 15 115.20 0.05 . 1 . . . . . . . . 5697 1 17 . 1 1 4 4 SER H H 1 8.51 0.02 . 1 . . . . . . . . 5697 1 18 . 1 1 4 4 SER HA H 1 5.36 0.02 . 1 . . . . . . . . 5697 1 19 . 1 1 4 4 SER HB2 H 1 3.59 0.02 . 1 . . . . . . . . 5697 1 20 . 1 1 4 4 SER HB3 H 1 3.59 0.02 . 1 . . . . . . . . 5697 1 21 . 1 1 5 5 VAL N N 15 120.00 0.05 . 1 . . . . . . . . 5697 1 22 . 1 1 5 5 VAL H H 1 8.65 0.02 . 1 . . . . . . . . 5697 1 23 . 1 1 5 5 VAL HA H 1 4.46 0.02 . 1 . . . . . . . . 5697 1 24 . 1 1 5 5 VAL HB H 1 1.77 0.02 . 1 . . . . . . . . 5697 1 25 . 1 1 5 5 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 5697 1 26 . 1 1 5 5 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 5697 1 27 . 1 1 5 5 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 5697 1 28 . 1 1 5 5 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5697 1 29 . 1 1 5 5 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5697 1 30 . 1 1 5 5 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5697 1 31 . 1 1 6 6 THR N N 15 121.30 0.05 . 1 . . . . . . . . 5697 1 32 . 1 1 6 6 THR H H 1 8.55 0.02 . 1 . . . . . . . . 5697 1 33 . 1 1 6 6 THR HA H 1 5.05 0.02 . 1 . . . . . . . . 5697 1 34 . 1 1 6 6 THR HB H 1 3.80 0.02 . 1 . . . . . . . . 5697 1 35 . 1 1 6 6 THR HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5697 1 36 . 1 1 6 6 THR HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5697 1 37 . 1 1 6 6 THR HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5697 1 38 . 1 1 7 7 LEU N N 15 128.20 0.05 . 1 . . . . . . . . 5697 1 39 . 1 1 7 7 LEU H H 1 9.24 0.02 . 1 . . . . . . . . 5697 1 40 . 1 1 7 7 LEU HA H 1 4.65 0.02 . 1 . . . . . . . . 5697 1 41 . 1 1 7 7 LEU HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5697 1 42 . 1 1 7 7 LEU HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5697 1 43 . 1 1 7 7 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 5697 1 44 . 1 1 7 7 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5697 1 45 . 1 1 7 7 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5697 1 46 . 1 1 7 7 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5697 1 47 . 1 1 7 7 LEU HD21 H 1 0.69 0.02 . 2 . . . . . . . . 5697 1 48 . 1 1 7 7 LEU HD22 H 1 0.69 0.02 . 2 . . . . . . . . 5697 1 49 . 1 1 7 7 LEU HD23 H 1 0.69 0.02 . 2 . . . . . . . . 5697 1 50 . 1 1 8 8 THR N N 15 118.70 0.05 . 1 . . . . . . . . 5697 1 51 . 1 1 8 8 THR H H 1 8.78 0.02 . 1 . . . . . . . . 5697 1 52 . 1 1 8 8 THR HA H 1 4.49 0.02 . 1 . . . . . . . . 5697 1 53 . 1 1 8 8 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 5697 1 54 . 1 1 8 8 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 5697 1 55 . 1 1 8 8 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 5697 1 56 . 1 1 9 9 GLY N N 15 114.20 0.05 . 1 . . . . . . . . 5697 1 57 . 1 1 9 9 GLY H H 1 8.58 0.02 . 1 . . . . . . . . 5697 1 58 . 1 1 9 9 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 5697 1 59 . 1 1 9 9 GLY HA3 H 1 3.64 0.02 . 2 . . . . . . . . 5697 1 60 . 1 1 10 10 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 5697 1 61 . 1 1 11 11 GLY N N 15 107.50 0.05 . 1 . . . . . . . . 5697 1 62 . 1 1 11 11 GLY H H 1 7.97 0.02 . 1 . . . . . . . . 5697 1 63 . 1 1 11 11 GLY HA2 H 1 2.20 0.02 . 2 . . . . . . . . 5697 1 64 . 1 1 11 11 GLY HA3 H 1 2.09 0.02 . 2 . . . . . . . . 5697 1 65 . 1 1 13 13 TRP N N 15 119.30 0.05 . 1 . . . . . . . . 5697 1 66 . 1 1 13 13 TRP H H 1 8.10 0.02 . 1 . . . . . . . . 5697 1 67 . 1 1 13 13 TRP NE1 N 15 127.80 0.05 . 1 . . . . . . . . 5697 1 68 . 1 1 13 13 TRP HE1 H 1 9.76 0.02 . 1 . . . . . . . . 5697 1 69 . 1 1 14 14 GLY N N 15 102.50 0.05 . 1 . . . . . . . . 5697 1 70 . 1 1 14 14 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 5697 1 71 . 1 1 15 15 PHE N N 15 112.20 0.05 . 1 . . . . . . . . 5697 1 72 . 1 1 15 15 PHE H H 1 6.87 0.02 . 1 . . . . . . . . 5697 1 73 . 1 1 16 16 ARG N N 15 119.90 0.05 . 1 . . . . . . . . 5697 1 74 . 1 1 16 16 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 5697 1 75 . 1 1 17 17 LEU N N 15 125.00 0.05 . 1 . . . . . . . . 5697 1 76 . 1 1 17 17 LEU H H 1 8.96 0.02 . 1 . . . . . . . . 5697 1 77 . 1 1 17 17 LEU HA H 1 5.23 0.02 . 1 . . . . . . . . 5697 1 78 . 1 1 18 18 GLN N N 15 123.20 0.05 . 1 . . . . . . . . 5697 1 79 . 1 1 18 18 GLN H H 1 9.26 0.02 . 1 . . . . . . . . 5697 1 80 . 1 1 18 18 GLN HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5697 1 81 . 1 1 18 18 GLN HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5697 1 82 . 1 1 18 18 GLN HG2 H 1 2.17 0.02 . 1 . . . . . . . . 5697 1 83 . 1 1 18 18 GLN HG3 H 1 2.17 0.02 . 1 . . . . . . . . 5697 1 84 . 1 1 19 19 GLY N N 15 108.30 0.05 . 1 . . . . . . . . 5697 1 85 . 1 1 19 19 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 5697 1 86 . 1 1 19 19 GLY HA2 H 1 4.57 0.02 . 2 . . . . . . . . 5697 1 87 . 1 1 19 19 GLY HA3 H 1 3.40 0.02 . 2 . . . . . . . . 5697 1 88 . 1 1 20 20 GLY N N 15 104.50 0.05 . 1 . . . . . . . . 5697 1 89 . 1 1 20 20 GLY H H 1 7.77 0.02 . 1 . . . . . . . . 5697 1 90 . 1 1 20 20 GLY HA2 H 1 4.85 0.02 . 2 . . . . . . . . 5697 1 91 . 1 1 20 20 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 5697 1 92 . 1 1 21 21 LYS N N 15 122.90 0.05 . 1 . . . . . . . . 5697 1 93 . 1 1 21 21 LYS H H 1 8.79 0.02 . 1 . . . . . . . . 5697 1 94 . 1 1 21 21 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 5697 1 95 . 1 1 21 21 LYS HB2 H 1 1.36 0.02 . 2 . . . . . . . . 5697 1 96 . 1 1 21 21 LYS HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5697 1 97 . 1 1 21 21 LYS HG2 H 1 1.30 0.02 . 1 . . . . . . . . 5697 1 98 . 1 1 21 21 LYS HG3 H 1 1.30 0.02 . 1 . . . . . . . . 5697 1 99 . 1 1 21 21 LYS HD2 H 1 1.69 0.02 . 2 . . . . . . . . 5697 1 100 . 1 1 21 21 LYS HD3 H 1 1.43 0.02 . 2 . . . . . . . . 5697 1 101 . 1 1 22 22 ASP N N 15 113.80 0.05 . 1 . . . . . . . . 5697 1 102 . 1 1 22 22 ASP H H 1 10.77 0.02 . 1 . . . . . . . . 5697 1 103 . 1 1 22 22 ASP HA H 1 4.18 0.02 . 1 . . . . . . . . 5697 1 104 . 1 1 22 22 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5697 1 105 . 1 1 22 22 ASP HB3 H 1 2.41 0.02 . 2 . . . . . . . . 5697 1 106 . 1 1 23 23 PHE N N 15 117.70 0.05 . 1 . . . . . . . . 5697 1 107 . 1 1 23 23 PHE H H 1 7.84 0.02 . 1 . . . . . . . . 5697 1 108 . 1 1 23 23 PHE HA H 1 4.43 0.02 . 1 . . . . . . . . 5697 1 109 . 1 1 23 23 PHE HB2 H 1 3.40 0.02 . 2 . . . . . . . . 5697 1 110 . 1 1 23 23 PHE HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5697 1 111 . 1 1 24 24 ASN N N 15 115.90 0.05 . 1 . . . . . . . . 5697 1 112 . 1 1 24 24 ASN H H 1 7.99 0.02 . 1 . . . . . . . . 5697 1 113 . 1 1 24 24 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 5697 1 114 . 1 1 24 24 ASN HB2 H 1 3.04 0.02 . 2 . . . . . . . . 5697 1 115 . 1 1 24 24 ASN HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5697 1 116 . 1 1 25 25 MET N N 15 114.20 0.05 . 1 . . . . . . . . 5697 1 117 . 1 1 25 25 MET H H 1 7.35 0.02 . 1 . . . . . . . . 5697 1 118 . 1 1 25 25 MET HA H 1 4.96 0.02 . 1 . . . . . . . . 5697 1 119 . 1 1 25 25 MET HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5697 1 120 . 1 1 25 25 MET HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5697 1 121 . 1 1 25 25 MET HG2 H 1 2.61 0.02 . 1 . . . . . . . . 5697 1 122 . 1 1 25 25 MET HG3 H 1 2.61 0.02 . 1 . . . . . . . . 5697 1 123 . 1 1 26 26 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 5697 1 124 . 1 1 26 26 PRO HB2 H 1 2.22 0.02 . 2 . . . . . . . . 5697 1 125 . 1 1 27 27 LEU N N 15 123.50 0.05 . 1 . . . . . . . . 5697 1 126 . 1 1 27 27 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 5697 1 127 . 1 1 27 27 LEU HA H 1 4.85 0.02 . 1 . . . . . . . . 5697 1 128 . 1 1 27 27 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5697 1 129 . 1 1 27 27 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 5697 1 130 . 1 1 27 27 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 5697 1 131 . 1 1 27 27 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 5697 1 132 . 1 1 27 27 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 5697 1 133 . 1 1 27 27 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 5697 1 134 . 1 1 27 27 LEU HD21 H 1 0.70 0.02 . 2 . . . . . . . . 5697 1 135 . 1 1 27 27 LEU HD22 H 1 0.70 0.02 . 2 . . . . . . . . 5697 1 136 . 1 1 27 27 LEU HD23 H 1 0.70 0.02 . 2 . . . . . . . . 5697 1 137 . 1 1 28 28 THR N N 15 118.90 0.05 . 1 . . . . . . . . 5697 1 138 . 1 1 28 28 THR H H 1 9.22 0.02 . 1 . . . . . . . . 5697 1 139 . 1 1 28 28 THR HA H 1 5.15 0.02 . 1 . . . . . . . . 5697 1 140 . 1 1 28 28 THR HB H 1 3.70 0.02 . 1 . . . . . . . . 5697 1 141 . 1 1 28 28 THR HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5697 1 142 . 1 1 28 28 THR HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5697 1 143 . 1 1 28 28 THR HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5697 1 144 . 1 1 29 29 ILE N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 145 . 1 1 29 29 ILE H H 1 8.32 0.02 . 1 . . . . . . . . 5697 1 146 . 1 1 29 29 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . 5697 1 147 . 1 1 29 29 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . 5697 1 148 . 1 1 29 29 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . 5697 1 149 . 1 1 30 30 SER N N 15 125.50 0.05 . 1 . . . . . . . . 5697 1 150 . 1 1 30 30 SER H H 1 9.15 0.02 . 1 . . . . . . . . 5697 1 151 . 1 1 30 30 SER HA H 1 4.54 0.02 . 1 . . . . . . . . 5697 1 152 . 1 1 30 30 SER HB2 H 1 3.82 0.02 . 2 . . . . . . . . 5697 1 153 . 1 1 30 30 SER HB3 H 1 3.43 0.02 . 2 . . . . . . . . 5697 1 154 . 1 1 31 31 ARG N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 155 . 1 1 31 31 ARG H H 1 7.42 0.02 . 1 . . . . . . . . 5697 1 156 . 1 1 31 31 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . 5697 1 157 . 1 1 31 31 ARG HB2 H 1 1.71 0.02 . 1 . . . . . . . . 5697 1 158 . 1 1 31 31 ARG HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5697 1 159 . 1 1 31 31 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5697 1 160 . 1 1 31 31 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5697 1 161 . 1 1 32 32 ILE N N 15 124.60 0.05 . 1 . . . . . . . . 5697 1 162 . 1 1 32 32 ILE H H 1 8.68 0.02 . 1 . . . . . . . . 5697 1 163 . 1 1 32 32 ILE HA H 1 4.65 0.02 . 1 . . . . . . . . 5697 1 164 . 1 1 32 32 ILE HG21 H 1 0.70 0.02 . 1 . . . . . . . . 5697 1 165 . 1 1 32 32 ILE HG22 H 1 0.70 0.02 . 1 . . . . . . . . 5697 1 166 . 1 1 32 32 ILE HG23 H 1 0.70 0.02 . 1 . . . . . . . . 5697 1 167 . 1 1 33 33 THR N N 15 127.90 0.05 . 1 . . . . . . . . 5697 1 168 . 1 1 33 33 THR H H 1 9.19 0.02 . 1 . . . . . . . . 5697 1 169 . 1 1 33 33 THR HA H 1 4.34 0.02 . 1 . . . . . . . . 5697 1 170 . 1 1 33 33 THR HB H 1 3.91 0.02 . 1 . . . . . . . . 5697 1 171 . 1 1 33 33 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 172 . 1 1 33 33 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 173 . 1 1 33 33 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 174 . 1 1 35 35 GLY N N 15 111.00 0.05 . 1 . . . . . . . . 5697 1 175 . 1 1 35 35 GLY H H 1 8.86 0.02 . 1 . . . . . . . . 5697 1 176 . 1 1 35 35 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 5697 1 177 . 1 1 35 35 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 5697 1 178 . 1 1 36 36 SER N N 15 114.40 0.05 . 1 . . . . . . . . 5697 1 179 . 1 1 36 36 SER H H 1 7.41 0.02 . 1 . . . . . . . . 5697 1 180 . 1 1 36 36 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5697 1 181 . 1 1 36 36 SER HB2 H 1 3.75 0.02 . 1 . . . . . . . . 5697 1 182 . 1 1 36 36 SER HB3 H 1 3.75 0.02 . 1 . . . . . . . . 5697 1 183 . 1 1 37 37 LYS N N 15 120.40 0.05 . 1 . . . . . . . . 5697 1 184 . 1 1 37 37 LYS H H 1 9.02 0.02 . 1 . . . . . . . . 5697 1 185 . 1 1 37 37 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 5697 1 186 . 1 1 37 37 LYS HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5697 1 187 . 1 1 37 37 LYS HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5697 1 188 . 1 1 37 37 LYS HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5697 1 189 . 1 1 37 37 LYS HG3 H 1 1.62 0.02 . 1 . . . . . . . . 5697 1 190 . 1 1 37 37 LYS HD2 H 1 2.03 0.02 . 1 . . . . . . . . 5697 1 191 . 1 1 37 37 LYS HD3 H 1 2.03 0.02 . 1 . . . . . . . . 5697 1 192 . 1 1 38 38 ALA N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 193 . 1 1 38 38 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 5697 1 194 . 1 1 39 39 ALA N N 15 121.00 0.05 . 1 . . . . . . . . 5697 1 195 . 1 1 39 39 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 5697 1 196 . 1 1 39 39 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 5697 1 197 . 1 1 39 39 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 5697 1 198 . 1 1 39 39 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5697 1 199 . 1 1 39 39 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5697 1 200 . 1 1 40 40 GLN N N 15 117.00 0.05 . 1 . . . . . . . . 5697 1 201 . 1 1 40 40 GLN H H 1 7.63 0.02 . 1 . . . . . . . . 5697 1 202 . 1 1 40 40 GLN HA H 1 4.29 0.02 . 1 . . . . . . . . 5697 1 203 . 1 1 40 40 GLN HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5697 1 204 . 1 1 40 40 GLN HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5697 1 205 . 1 1 40 40 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5697 1 206 . 1 1 40 40 GLN HG3 H 1 2.36 0.02 . 2 . . . . . . . . 5697 1 207 . 1 1 41 41 SER N N 15 115.40 0.05 . 1 . . . . . . . . 5697 1 208 . 1 1 41 41 SER H H 1 7.59 0.02 . 1 . . . . . . . . 5697 1 209 . 1 1 41 41 SER HA H 1 4.69 0.02 . 1 . . . . . . . . 5697 1 210 . 1 1 41 41 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 5697 1 211 . 1 1 41 41 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . 5697 1 212 . 1 1 42 42 GLN N N 15 113.80 0.05 . 1 . . . . . . . . 5697 1 213 . 1 1 42 42 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 5697 1 214 . 1 1 42 42 GLN HA H 1 3.98 0.02 . 1 . . . . . . . . 5697 1 215 . 1 1 42 42 GLN HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5697 1 216 . 1 1 42 42 GLN HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5697 1 217 . 1 1 42 42 GLN HG2 H 1 2.17 0.02 . 2 . . . . . . . . 5697 1 218 . 1 1 42 42 GLN HG3 H 1 2.13 0.02 . 2 . . . . . . . . 5697 1 219 . 1 1 43 43 LEU N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 220 . 1 1 43 43 LEU H H 1 7.79 0.02 . 1 . . . . . . . . 5697 1 221 . 1 1 43 43 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 5697 1 222 . 1 1 43 43 LEU HB2 H 1 1.38 0.02 . 2 . . . . . . . . 5697 1 223 . 1 1 43 43 LEU HB3 H 1 1.06 0.02 . 2 . . . . . . . . 5697 1 224 . 1 1 43 43 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 5697 1 225 . 1 1 43 43 LEU HD11 H 1 0.49 0.02 . 2 . . . . . . . . 5697 1 226 . 1 1 43 43 LEU HD12 H 1 0.49 0.02 . 2 . . . . . . . . 5697 1 227 . 1 1 43 43 LEU HD13 H 1 0.49 0.02 . 2 . . . . . . . . 5697 1 228 . 1 1 43 43 LEU HD21 H 1 0.47 0.02 . 2 . . . . . . . . 5697 1 229 . 1 1 43 43 LEU HD22 H 1 0.47 0.02 . 2 . . . . . . . . 5697 1 230 . 1 1 43 43 LEU HD23 H 1 0.47 0.02 . 2 . . . . . . . . 5697 1 231 . 1 1 44 44 SER N N 15 113.60 0.05 . 1 . . . . . . . . 5697 1 232 . 1 1 44 44 SER H H 1 7.16 0.02 . 1 . . . . . . . . 5697 1 233 . 1 1 44 44 SER HA H 1 4.65 0.02 . 1 . . . . . . . . 5697 1 234 . 1 1 44 44 SER HB2 H 1 3.58 0.02 . 1 . . . . . . . . 5697 1 235 . 1 1 44 44 SER HB3 H 1 3.58 0.02 . 1 . . . . . . . . 5697 1 236 . 1 1 45 45 GLN N N 15 124.50 0.05 . 1 . . . . . . . . 5697 1 237 . 1 1 45 45 GLN H H 1 8.69 0.02 . 1 . . . . . . . . 5697 1 238 . 1 1 45 45 GLN HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5697 1 239 . 1 1 45 45 GLN HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5697 1 240 . 1 1 45 45 GLN HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5697 1 241 . 1 1 45 45 GLN HG3 H 1 2.10 0.02 . 2 . . . . . . . . 5697 1 242 . 1 1 46 46 GLY N N 15 115.40 0.05 . 1 . . . . . . . . 5697 1 243 . 1 1 46 46 GLY H H 1 9.43 0.02 . 1 . . . . . . . . 5697 1 244 . 1 1 46 46 GLY HA2 H 1 4.34 0.02 . 2 . . . . . . . . 5697 1 245 . 1 1 46 46 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 5697 1 246 . 1 1 47 47 ASP N N 15 121.40 0.05 . 1 . . . . . . . . 5697 1 247 . 1 1 47 47 ASP H H 1 7.53 0.02 . 1 . . . . . . . . 5697 1 248 . 1 1 47 47 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 5697 1 249 . 1 1 47 47 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5697 1 250 . 1 1 47 47 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . 5697 1 251 . 1 1 48 48 LEU N N 15 120.50 0.05 . 1 . . . . . . . . 5697 1 252 . 1 1 48 48 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 5697 1 253 . 1 1 48 48 LEU HA H 1 4.62 0.02 . 1 . . . . . . . . 5697 1 254 . 1 1 48 48 LEU HB2 H 1 1.58 0.02 . 2 . . . . . . . . 5697 1 255 . 1 1 48 48 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 5697 1 256 . 1 1 48 48 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 5697 1 257 . 1 1 48 48 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 258 . 1 1 48 48 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 259 . 1 1 48 48 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 260 . 1 1 48 48 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 5697 1 261 . 1 1 48 48 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 5697 1 262 . 1 1 48 48 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 5697 1 263 . 1 1 49 49 VAL N N 15 122.30 0.05 . 1 . . . . . . . . 5697 1 264 . 1 1 49 49 VAL H H 1 8.32 0.02 . 1 . . . . . . . . 5697 1 265 . 1 1 49 49 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . 5697 1 266 . 1 1 49 49 VAL HB H 1 1.81 0.02 . 1 . . . . . . . . 5697 1 267 . 1 1 49 49 VAL HG11 H 1 0.55 0.02 . 2 . . . . . . . . 5697 1 268 . 1 1 49 49 VAL HG12 H 1 0.55 0.02 . 2 . . . . . . . . 5697 1 269 . 1 1 49 49 VAL HG13 H 1 0.55 0.02 . 2 . . . . . . . . 5697 1 270 . 1 1 49 49 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 5697 1 271 . 1 1 49 49 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 5697 1 272 . 1 1 49 49 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 5697 1 273 . 1 1 50 50 VAL N N 15 126.00 0.05 . 1 . . . . . . . . 5697 1 274 . 1 1 50 50 VAL H H 1 8.71 0.02 . 1 . . . . . . . . 5697 1 275 . 1 1 50 50 VAL HA H 1 4.06 0.02 . 1 . . . . . . . . 5697 1 276 . 1 1 50 50 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 5697 1 277 . 1 1 50 50 VAL HG11 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 278 . 1 1 50 50 VAL HG12 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 279 . 1 1 50 50 VAL HG13 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 280 . 1 1 50 50 VAL HG21 H 1 0.60 0.02 . 2 . . . . . . . . 5697 1 281 . 1 1 50 50 VAL HG22 H 1 0.60 0.02 . 2 . . . . . . . . 5697 1 282 . 1 1 50 50 VAL HG23 H 1 0.60 0.02 . 2 . . . . . . . . 5697 1 283 . 1 1 51 51 ALA N N 15 121.40 0.05 . 1 . . . . . . . . 5697 1 284 . 1 1 51 51 ALA H H 1 7.93 0.02 . 1 . . . . . . . . 5697 1 285 . 1 1 51 51 ALA HA H 1 5.11 0.02 . 1 . . . . . . . . 5697 1 286 . 1 1 51 51 ALA HB1 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 287 . 1 1 51 51 ALA HB2 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 288 . 1 1 51 51 ALA HB3 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 289 . 1 1 52 52 ILE N N 15 118.90 0.05 . 1 . . . . . . . . 5697 1 290 . 1 1 52 52 ILE H H 1 8.21 0.02 . 1 . . . . . . . . 5697 1 291 . 1 1 52 52 ILE HA H 1 4.23 0.02 . 1 . . . . . . . . 5697 1 292 . 1 1 52 52 ILE HB H 1 1.20 0.02 . 1 . . . . . . . . 5697 1 293 . 1 1 52 52 ILE HG21 H 1 0.66 0.02 . 1 . . . . . . . . 5697 1 294 . 1 1 52 52 ILE HG22 H 1 0.66 0.02 . 1 . . . . . . . . 5697 1 295 . 1 1 52 52 ILE HG23 H 1 0.66 0.02 . 1 . . . . . . . . 5697 1 296 . 1 1 52 52 ILE HG12 H 1 0.53 0.02 . 1 . . . . . . . . 5697 1 297 . 1 1 52 52 ILE HG13 H 1 0.53 0.02 . 1 . . . . . . . . 5697 1 298 . 1 1 52 52 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 5697 1 299 . 1 1 52 52 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 5697 1 300 . 1 1 52 52 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 5697 1 301 . 1 1 53 53 ASP N N 15 129.50 0.05 . 1 . . . . . . . . 5697 1 302 . 1 1 53 53 ASP H H 1 9.69 0.02 . 1 . . . . . . . . 5697 1 303 . 1 1 53 53 ASP HA H 1 4.21 0.02 . 1 . . . . . . . . 5697 1 304 . 1 1 53 53 ASP HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5697 1 305 . 1 1 54 54 GLY N N 15 101.50 0.05 . 1 . . . . . . . . 5697 1 306 . 1 1 54 54 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 5697 1 307 . 1 1 54 54 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 5697 1 308 . 1 1 54 54 GLY HA3 H 1 3.39 0.02 . 2 . . . . . . . . 5697 1 309 . 1 1 55 55 VAL N N 15 123.50 0.05 . 1 . . . . . . . . 5697 1 310 . 1 1 55 55 VAL H H 1 7.91 0.02 . 1 . . . . . . . . 5697 1 311 . 1 1 55 55 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 5697 1 312 . 1 1 55 55 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 5697 1 313 . 1 1 55 55 VAL HG11 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 314 . 1 1 55 55 VAL HG12 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 315 . 1 1 55 55 VAL HG13 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 316 . 1 1 55 55 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 317 . 1 1 55 55 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 318 . 1 1 55 55 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 319 . 1 1 56 56 ASN N N 15 126.60 0.05 . 1 . . . . . . . . 5697 1 320 . 1 1 56 56 ASN H H 1 8.67 0.02 . 1 . . . . . . . . 5697 1 321 . 1 1 56 56 ASN HA H 1 4.91 0.02 . 1 . . . . . . . . 5697 1 322 . 1 1 56 56 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . 5697 1 323 . 1 1 56 56 ASN HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5697 1 324 . 1 1 57 57 THR N N 15 112.30 0.05 . 1 . . . . . . . . 5697 1 325 . 1 1 57 57 THR H H 1 8.05 0.02 . 1 . . . . . . . . 5697 1 326 . 1 1 57 57 THR HA H 1 4.56 0.02 . 1 . . . . . . . . 5697 1 327 . 1 1 57 57 THR HB H 1 4.52 0.02 . 1 . . . . . . . . 5697 1 328 . 1 1 57 57 THR HG21 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 329 . 1 1 57 57 THR HG22 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 330 . 1 1 57 57 THR HG23 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 331 . 1 1 58 58 ASP N N 15 123.10 0.05 . 1 . . . . . . . . 5697 1 332 . 1 1 58 58 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 5697 1 333 . 1 1 58 58 ASP HA H 1 4.28 0.02 . 1 . . . . . . . . 5697 1 334 . 1 1 58 58 ASP HB2 H 1 2.72 0.02 . 1 . . . . . . . . 5697 1 335 . 1 1 58 58 ASP HB3 H 1 2.72 0.02 . 1 . . . . . . . . 5697 1 336 . 1 1 59 59 THR N N 15 106.10 0.05 . 1 . . . . . . . . 5697 1 337 . 1 1 59 59 THR H H 1 7.67 0.02 . 1 . . . . . . . . 5697 1 338 . 1 1 59 59 THR HA H 1 4.31 0.02 . 1 . . . . . . . . 5697 1 339 . 1 1 59 59 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5697 1 340 . 1 1 59 59 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 5697 1 341 . 1 1 59 59 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 5697 1 342 . 1 1 59 59 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 5697 1 343 . 1 1 60 60 MET N N 15 121.50 0.05 . 1 . . . . . . . . 5697 1 344 . 1 1 60 60 MET H H 1 7.80 0.02 . 1 . . . . . . . . 5697 1 345 . 1 1 60 60 MET HA H 1 4.67 0.02 . 1 . . . . . . . . 5697 1 346 . 1 1 60 60 MET HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5697 1 347 . 1 1 60 60 MET HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5697 1 348 . 1 1 60 60 MET HG2 H 1 2.54 0.02 . 1 . . . . . . . . 5697 1 349 . 1 1 60 60 MET HG3 H 1 2.54 0.02 . 1 . . . . . . . . 5697 1 350 . 1 1 61 61 THR N N 15 113.50 0.05 . 1 . . . . . . . . 5697 1 351 . 1 1 61 61 THR H H 1 8.62 0.02 . 1 . . . . . . . . 5697 1 352 . 1 1 61 61 THR HA H 1 4.45 0.02 . 1 . . . . . . . . 5697 1 353 . 1 1 61 61 THR HB H 1 4.69 0.02 . 1 . . . . . . . . 5697 1 354 . 1 1 61 61 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 5697 1 355 . 1 1 61 61 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 5697 1 356 . 1 1 61 61 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 5697 1 357 . 1 1 62 62 HIS N N 15 122.80 0.05 . 1 . . . . . . . . 5697 1 358 . 1 1 62 62 HIS H H 1 10.32 0.02 . 1 . . . . . . . . 5697 1 359 . 1 1 62 62 HIS HA H 1 3.99 0.02 . 1 . . . . . . . . 5697 1 360 . 1 1 62 62 HIS HB2 H 1 3.58 0.02 . 2 . . . . . . . . 5697 1 361 . 1 1 62 62 HIS HB3 H 1 3.44 0.02 . 2 . . . . . . . . 5697 1 362 . 1 1 63 63 LEU N N 15 117.30 0.05 . 1 . . . . . . . . 5697 1 363 . 1 1 63 63 LEU H H 1 9.03 0.02 . 1 . . . . . . . . 5697 1 364 . 1 1 63 63 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 5697 1 365 . 1 1 63 63 LEU HB2 H 1 1.61 0.02 . 1 . . . . . . . . 5697 1 366 . 1 1 63 63 LEU HB3 H 1 1.61 0.02 . 1 . . . . . . . . 5697 1 367 . 1 1 63 63 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5697 1 368 . 1 1 63 63 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 369 . 1 1 63 63 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 370 . 1 1 63 63 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 371 . 1 1 63 63 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 372 . 1 1 63 63 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 373 . 1 1 63 63 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 374 . 1 1 64 64 GLU N N 15 118.60 0.05 . 1 . . . . . . . . 5697 1 375 . 1 1 64 64 GLU H H 1 7.69 0.02 . 1 . . . . . . . . 5697 1 376 . 1 1 64 64 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 5697 1 377 . 1 1 64 64 GLU HB2 H 1 2.20 0.02 . 2 . . . . . . . . 5697 1 378 . 1 1 64 64 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5697 1 379 . 1 1 64 64 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5697 1 380 . 1 1 64 64 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5697 1 381 . 1 1 65 65 ALA N N 15 122.30 0.05 . 1 . . . . . . . . 5697 1 382 . 1 1 65 65 ALA H H 1 8.06 0.02 . 1 . . . . . . . . 5697 1 383 . 1 1 65 65 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 5697 1 384 . 1 1 65 65 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 385 . 1 1 65 65 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 386 . 1 1 65 65 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 387 . 1 1 66 66 GLN N N 15 117.00 0.05 . 1 . . . . . . . . 5697 1 388 . 1 1 66 66 GLN H H 1 8.49 0.02 . 1 . . . . . . . . 5697 1 389 . 1 1 66 66 GLN HA H 1 3.94 0.02 . 1 . . . . . . . . 5697 1 390 . 1 1 66 66 GLN HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5697 1 391 . 1 1 66 66 GLN HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5697 1 392 . 1 1 67 67 ASN N N 15 117.40 0.05 . 1 . . . . . . . . 5697 1 393 . 1 1 67 67 ASN H H 1 8.68 0.02 . 1 . . . . . . . . 5697 1 394 . 1 1 67 67 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 5697 1 395 . 1 1 67 67 ASN HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5697 1 396 . 1 1 67 67 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5697 1 397 . 1 1 68 68 LYS N N 15 122.30 0.05 . 1 . . . . . . . . 5697 1 398 . 1 1 68 68 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 5697 1 399 . 1 1 68 68 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 5697 1 400 . 1 1 68 68 LYS HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5697 1 401 . 1 1 68 68 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5697 1 402 . 1 1 68 68 LYS HG2 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 403 . 1 1 68 68 LYS HG3 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 404 . 1 1 68 68 LYS HD2 H 1 1.40 0.02 . 1 . . . . . . . . 5697 1 405 . 1 1 68 68 LYS HD3 H 1 1.40 0.02 . 1 . . . . . . . . 5697 1 406 . 1 1 69 69 ILE N N 15 118.90 0.05 . 1 . . . . . . . . 5697 1 407 . 1 1 69 69 ILE H H 1 7.83 0.02 . 1 . . . . . . . . 5697 1 408 . 1 1 69 69 ILE HA H 1 3.68 0.02 . 1 . . . . . . . . 5697 1 409 . 1 1 69 69 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 5697 1 410 . 1 1 69 69 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5697 1 411 . 1 1 69 69 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5697 1 412 . 1 1 69 69 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5697 1 413 . 1 1 69 69 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 5697 1 414 . 1 1 69 69 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 5697 1 415 . 1 1 69 69 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 5697 1 416 . 1 1 70 70 LYS N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 417 . 1 1 70 70 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 5697 1 418 . 1 1 70 70 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 5697 1 419 . 1 1 70 70 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 5697 1 420 . 1 1 70 70 LYS HG2 H 1 1.63 0.02 . 2 . . . . . . . . 5697 1 421 . 1 1 71 71 SER N N 15 112.00 0.05 . 1 . . . . . . . . 5697 1 422 . 1 1 71 71 SER H H 1 7.68 0.02 . 1 . . . . . . . . 5697 1 423 . 1 1 71 71 SER HA H 1 4.70 0.02 . 1 . . . . . . . . 5697 1 424 . 1 1 71 71 SER HB2 H 1 4.03 0.02 . 2 . . . . . . . . 5697 1 425 . 1 1 71 71 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 5697 1 426 . 1 1 72 72 ALA N N 15 126.40 0.05 . 1 . . . . . . . . 5697 1 427 . 1 1 72 72 ALA H H 1 7.32 0.02 . 1 . . . . . . . . 5697 1 428 . 1 1 72 72 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 5697 1 429 . 1 1 72 72 ALA HB1 H 1 1.64 0.02 . 1 . . . . . . . . 5697 1 430 . 1 1 72 72 ALA HB2 H 1 1.64 0.02 . 1 . . . . . . . . 5697 1 431 . 1 1 72 72 ALA HB3 H 1 1.64 0.02 . 1 . . . . . . . . 5697 1 432 . 1 1 73 73 SER N N 15 117.70 0.05 . 1 . . . . . . . . 5697 1 433 . 1 1 73 73 SER H H 1 8.59 0.02 . 1 . . . . . . . . 5697 1 434 . 1 1 73 73 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 5697 1 435 . 1 1 73 73 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 5697 1 436 . 1 1 73 73 SER HB3 H 1 3.71 0.02 . 1 . . . . . . . . 5697 1 437 . 1 1 74 74 TYR N N 15 120.20 0.05 . 1 . . . . . . . . 5697 1 438 . 1 1 74 74 TYR H H 1 8.30 0.02 . 1 . . . . . . . . 5697 1 439 . 1 1 74 74 TYR HB2 H 1 3.03 0.02 . 1 . . . . . . . . 5697 1 440 . 1 1 74 74 TYR HB3 H 1 3.03 0.02 . 1 . . . . . . . . 5697 1 441 . 1 1 75 75 ASN N N 15 116.50 0.05 . 1 . . . . . . . . 5697 1 442 . 1 1 75 75 ASN H H 1 8.17 0.02 . 1 . . . . . . . . 5697 1 443 . 1 1 75 75 ASN HA H 1 5.14 0.02 . 1 . . . . . . . . 5697 1 444 . 1 1 75 75 ASN HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5697 1 445 . 1 1 75 75 ASN HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5697 1 446 . 1 1 76 76 LEU N N 15 121.80 0.05 . 1 . . . . . . . . 5697 1 447 . 1 1 76 76 LEU H H 1 8.34 0.02 . 1 . . . . . . . . 5697 1 448 . 1 1 76 76 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 5697 1 449 . 1 1 76 76 LEU HB2 H 1 0.55 0.02 . 2 . . . . . . . . 5697 1 450 . 1 1 76 76 LEU HB3 H 1 0.49 0.02 . 2 . . . . . . . . 5697 1 451 . 1 1 76 76 LEU HG H 1 0.84 0.02 . 1 . . . . . . . . 5697 1 452 . 1 1 76 76 LEU HD11 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 453 . 1 1 76 76 LEU HD12 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 454 . 1 1 76 76 LEU HD13 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 455 . 1 1 77 77 SER N N 15 122.90 0.05 . 1 . . . . . . . . 5697 1 456 . 1 1 77 77 SER H H 1 8.89 0.02 . 1 . . . . . . . . 5697 1 457 . 1 1 77 77 SER HA H 1 5.35 0.02 . 1 . . . . . . . . 5697 1 458 . 1 1 77 77 SER HB2 H 1 3.70 0.02 . 1 . . . . . . . . 5697 1 459 . 1 1 77 77 SER HB3 H 1 3.70 0.02 . 1 . . . . . . . . 5697 1 460 . 1 1 78 78 LEU N N 15 124.80 0.05 . 1 . . . . . . . . 5697 1 461 . 1 1 78 78 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 5697 1 462 . 1 1 78 78 LEU HA H 1 4.94 0.02 . 1 . . . . . . . . 5697 1 463 . 1 1 78 78 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5697 1 464 . 1 1 78 78 LEU HB3 H 1 1.05 0.02 . 2 . . . . . . . . 5697 1 465 . 1 1 78 78 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 5697 1 466 . 1 1 78 78 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 467 . 1 1 78 78 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 468 . 1 1 78 78 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 469 . 1 1 79 79 THR N N 15 118.70 0.05 . 1 . . . . . . . . 5697 1 470 . 1 1 79 79 THR H H 1 8.41 0.02 . 1 . . . . . . . . 5697 1 471 . 1 1 79 79 THR HA H 1 4.69 0.02 . 1 . . . . . . . . 5697 1 472 . 1 1 79 79 THR HB H 1 3.63 0.02 . 1 . . . . . . . . 5697 1 473 . 1 1 79 79 THR HG21 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 474 . 1 1 79 79 THR HG22 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 475 . 1 1 79 79 THR HG23 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 476 . 1 1 80 80 LEU N N 15 128.80 0.05 . 1 . . . . . . . . 5697 1 477 . 1 1 80 80 LEU H H 1 9.14 0.02 . 1 . . . . . . . . 5697 1 478 . 1 1 80 80 LEU HA H 1 5.54 0.02 . 1 . . . . . . . . 5697 1 479 . 1 1 80 80 LEU HB2 H 1 1.17 0.02 . 1 . . . . . . . . 5697 1 480 . 1 1 80 80 LEU HB3 H 1 1.17 0.02 . 1 . . . . . . . . 5697 1 481 . 1 1 80 80 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 5697 1 482 . 1 1 80 80 LEU HD11 H 1 0.52 0.02 . 2 . . . . . . . . 5697 1 483 . 1 1 80 80 LEU HD12 H 1 0.52 0.02 . 2 . . . . . . . . 5697 1 484 . 1 1 80 80 LEU HD13 H 1 0.52 0.02 . 2 . . . . . . . . 5697 1 485 . 1 1 80 80 LEU HD21 H 1 0.46 0.02 . 2 . . . . . . . . 5697 1 486 . 1 1 80 80 LEU HD22 H 1 0.46 0.02 . 2 . . . . . . . . 5697 1 487 . 1 1 80 80 LEU HD23 H 1 0.46 0.02 . 2 . . . . . . . . 5697 1 488 . 1 1 81 81 GLN N N 15 117.00 0.05 . 1 . . . . . . . . 5697 1 489 . 1 1 81 81 GLN H H 1 8.66 0.02 . 1 . . . . . . . . 5697 1 490 . 1 1 81 81 GLN HA H 1 4.86 0.02 . 1 . . . . . . . . 5697 1 491 . 1 1 81 81 GLN HB2 H 1 1.82 0.02 . 1 . . . . . . . . 5697 1 492 . 1 1 81 81 GLN HB3 H 1 1.82 0.02 . 1 . . . . . . . . 5697 1 493 . 1 1 82 82 LYS N N 15 123.30 0.05 . 1 . . . . . . . . 5697 1 494 . 1 1 82 82 LYS H H 1 8.65 0.02 . 1 . . . . . . . . 5697 1 495 . 1 1 82 82 LYS HA H 1 4.39 0.02 . 1 . . . . . . . . 5697 1 496 . 1 1 82 82 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5697 1 497 . 1 1 82 82 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5697 1 498 . 1 1 82 82 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 5697 1 499 . 1 1 82 82 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 5697 1 500 . 1 1 82 82 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 5697 1 501 . 1 1 82 82 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 5697 1 502 . 1 1 83 83 SER N N 15 117.80 0.05 . 1 . . . . . . . . 5697 1 503 . 1 1 83 83 SER H H 1 8.52 0.02 . 1 . . . . . . . . 5697 1 504 . 1 1 83 83 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 5697 1 505 . 1 1 83 83 SER HB2 H 1 3.81 0.02 . 1 . . . . . . . . 5697 1 506 . 1 1 83 83 SER HB3 H 1 3.81 0.02 . 1 . . . . . . . . 5697 1 507 . 1 1 84 84 LYS N N 15 123.40 0.05 . 1 . . . . . . . . 5697 1 508 . 1 1 84 84 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 5697 1 509 . 1 1 84 84 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 5697 1 510 . 1 1 84 84 LYS HB2 H 1 1.70 0.02 . 1 . . . . . . . . 5697 1 511 . 1 1 84 84 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 5697 1 512 . 1 1 85 85 ARG N N 15 128.20 0.05 . 1 . . . . . . . . 5697 1 513 . 1 1 85 85 ARG H H 1 7.99 0.02 . 1 . . . . . . . . 5697 1 514 . 1 1 85 85 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 5697 1 515 . 1 1 85 85 ARG HB2 H 1 1.65 0.02 . 1 . . . . . . . . 5697 1 516 . 1 1 85 85 ARG HB3 H 1 1.65 0.02 . 1 . . . . . . . . 5697 1 stop_ save_