data_17626 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17626 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Act2-EF34 in complex with palladin peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-05 _Entry.Accession_date 2011-05-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Moriah Beck . R. . 17626 2 Sharon Campbell . L. . 17626 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17626 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17626 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 103 17626 '15N chemical shifts' 54 17626 '1H chemical shifts' 54 17626 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 2 . . 2012-03-07 2011-05-05 update BMRB 'update entry citation' 17626 1 . . 2011-10-12 2011-05-05 original author 'original release' 17626 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17627 'apo actinin-2 C-terminal EF-hand (Act2-EF34)' 17626 BMRB 4453 Act2EF34-Zr7 17626 BMRB 4454 Act2EF34-Zr7 17626 PDB 1H8B 'structure of Act2EF34-Zr7' 17626 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17626 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21925511 _Citation.Full_citation . _Citation.Title 'Structural characterization of the interactions between palladin and -actinin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 413 _Citation.Journal_issue 3 _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 712 _Citation.Page_last 725 _Citation.Year 2011 _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 Moriah Beck . R. . 17626 1 2 Carol Otey . A. . 17626 1 3 Sharon Campbell . L. . 17626 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'actin cytoskeleton' 17626 1 alpha-actinin 17626 1 palladin 17626 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17626 _Assembly.ID 1 _Assembly.Name 'Act2-EF34-palladin complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9848 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 protein 1 $Act2-EF34 A . yes native yes no . . . 17626 1 2 ligand 2 $palladin B . no native no yes . . . 17626 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1H8B . . 'solution NMR' . 'structure of Act2-EF34 bound to titin peptide' . 17626 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Act2-EF34 _Entity.Sf_category entity _Entity.Sf_framecode Act2-EF34 _Entity.Entry_ID 17626 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Act2-EF34 _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 ; GAMADTDTAEQVIASFRILA SDKPYILAEELRRELPPDQA QYCIKRMPAYSGPGSVPGAL DYAAFSSALYGESDL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; N-terminal residue of natural sequence replaced by M N-terminal GA left after cleavage from fusion protein ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'alpha-actinin C-terminal EF-hands' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8071.05 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17627 . Act2-EF34 . . . . . 100.00 75 100.00 100.00 6.08e-45 . . . . 17626 1 2 no BMRB 4453 . "alpha-actinin C-terminal EF-hands" . . . . . 100.00 75 100.00 100.00 6.08e-45 . . . . 17626 1 3 no BMRB 4454 . "alpha-actinin C-terminal EF-hands" . . . . . 100.00 75 100.00 100.00 6.08e-45 . . . . 17626 1 4 no PDB 1H8B . "Ef-Hands 3,4 From Alpha-Actinin Z-Repeat 7 From Titin" . . . . . 100.00 75 100.00 100.00 6.08e-45 . . . . 17626 1 5 no PDB 4D1E . "The Crystal Structure Of Human Muscle Alpha-actinin-2" . . . . . 96.00 876 100.00 100.00 1.12e-40 . . . . 17626 1 6 no DBJ BAB22865 . "unnamed protein product [Mus musculus]" . . . . . 96.00 225 97.22 97.22 2.48e-41 . . . . 17626 1 7 no DBJ BAD92758 . "actinin, alpha 2 variant [Homo sapiens]" . . . . . 96.00 664 100.00 100.00 1.56e-40 . . . . 17626 1 8 no DBJ BAG37672 . "unnamed protein product [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 1.10e-40 . . . . 17626 1 9 no DBJ BAH11921 . "unnamed protein product [Homo sapiens]" . . . . . 96.00 803 98.61 98.61 2.68e-40 . . . . 17626 1 10 no DBJ BAH12587 . "unnamed protein product [Homo sapiens]" . . . . . 96.00 679 100.00 100.00 1.75e-40 . . . . 17626 1 11 no EMBL CAB61269 . "alpha-actinin 2 protein [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 17626 1 12 no GB AAA51583 . "alpha-actinin [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 17626 1 13 no GB AAF76325 . "alpha-actinin 2 [Mus musculus]" . . . . . 96.00 894 97.22 97.22 1.64e-39 . . . . 17626 1 14 no GB AAH47901 . "Actinin, alpha 2 [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 17626 1 15 no GB AAH51770 . "Actinin, alpha 2 [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 17626 1 16 no GB AAH89579 . "Actinin alpha 2 [Mus musculus]" . . . . . 96.00 894 97.22 97.22 1.75e-39 . . . . 17626 1 17 no REF NP_001029807 . "alpha-actinin-2 [Bos taurus]" . . . . . 96.00 894 98.61 98.61 3.51e-40 . . . . 17626 1 18 no REF NP_001094 . "alpha-actinin-2 isoform 1 [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 17626 1 19 no REF NP_001163796 . "alpha-actinin-2 [Rattus norvegicus]" . . . . . 96.00 894 97.22 97.22 1.93e-39 . . . . 17626 1 20 no REF NP_001230595 . "alpha-actinin-2 [Sus scrofa]" . . . . . 96.00 894 98.61 98.61 3.80e-40 . . . . 17626 1 21 no REF NP_001265272 . "alpha-actinin-2 isoform 2 [Homo sapiens]" . . . . . 96.00 894 100.00 100.00 1.10e-40 . . . . 17626 1 22 no SP P35609 . "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" . . . . . 96.00 894 100.00 100.00 9.84e-41 . . . . 17626 1 23 no SP Q3ZC55 . "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" . . . . . 96.00 894 98.61 98.61 3.51e-40 . . . . 17626 1 24 no SP Q9JI91 . "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" . . . . . 96.00 894 97.22 97.22 1.93e-39 . . . . 17626 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'F-actin crosslinking protein' 17626 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 . GLY . 17626 1 2 . ALA . 17626 1 3 . MET . 17626 1 4 . ALA . 17626 1 5 . ASP . 17626 1 6 . THR . 17626 1 7 . ASP . 17626 1 8 . THR . 17626 1 9 . ALA . 17626 1 10 . GLU . 17626 1 11 . GLN . 17626 1 12 . VAL . 17626 1 13 . ILE . 17626 1 14 . ALA . 17626 1 15 . SER . 17626 1 16 . PHE . 17626 1 17 . ARG . 17626 1 18 . ILE . 17626 1 19 . LEU . 17626 1 20 . ALA . 17626 1 21 . SER . 17626 1 22 . ASP . 17626 1 23 . LYS . 17626 1 24 . PRO . 17626 1 25 . TYR . 17626 1 26 . ILE . 17626 1 27 . LEU . 17626 1 28 . ALA . 17626 1 29 . GLU . 17626 1 30 . GLU . 17626 1 31 . LEU . 17626 1 32 . ARG . 17626 1 33 . ARG . 17626 1 34 . GLU . 17626 1 35 . LEU . 17626 1 36 . PRO . 17626 1 37 . PRO . 17626 1 38 . ASP . 17626 1 39 . GLN . 17626 1 40 . ALA . 17626 1 41 . GLN . 17626 1 42 . TYR . 17626 1 43 . CYS . 17626 1 44 . ILE . 17626 1 45 . LYS . 17626 1 46 . ARG . 17626 1 47 . MET . 17626 1 48 . PRO . 17626 1 49 . ALA . 17626 1 50 . TYR . 17626 1 51 . SER . 17626 1 52 . GLY . 17626 1 53 . PRO . 17626 1 54 . GLY . 17626 1 55 . SER . 17626 1 56 . VAL . 17626 1 57 . PRO . 17626 1 58 . GLY . 17626 1 59 . ALA . 17626 1 60 . LEU . 17626 1 61 . ASP . 17626 1 62 . TYR . 17626 1 63 . ALA . 17626 1 64 . ALA . 17626 1 65 . PHE . 17626 1 66 . SER . 17626 1 67 . SER . 17626 1 68 . ALA . 17626 1 69 . LEU . 17626 1 70 . TYR . 17626 1 71 . GLY . 17626 1 72 . GLU . 17626 1 73 . SER . 17626 1 74 . ASP . 17626 1 75 . LEU . 17626 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 . GLY 1 1 17626 1 . ALA 2 2 17626 1 . MET 3 3 17626 1 . ALA 4 4 17626 1 . ASP 5 5 17626 1 . THR 6 6 17626 1 . ASP 7 7 17626 1 . THR 8 8 17626 1 . ALA 9 9 17626 1 . GLU 10 10 17626 1 . GLN 11 11 17626 1 . VAL 12 12 17626 1 . ILE 13 13 17626 1 . ALA 14 14 17626 1 . SER 15 15 17626 1 . PHE 16 16 17626 1 . ARG 17 17 17626 1 . ILE 18 18 17626 1 . LEU 19 19 17626 1 . ALA 20 20 17626 1 . SER 21 21 17626 1 . ASP 22 22 17626 1 . LYS 23 23 17626 1 . PRO 24 24 17626 1 . TYR 25 25 17626 1 . ILE 26 26 17626 1 . LEU 27 27 17626 1 . ALA 28 28 17626 1 . GLU 29 29 17626 1 . GLU 30 30 17626 1 . LEU 31 31 17626 1 . ARG 32 32 17626 1 . ARG 33 33 17626 1 . GLU 34 34 17626 1 . LEU 35 35 17626 1 . PRO 36 36 17626 1 . PRO 37 37 17626 1 . ASP 38 38 17626 1 . GLN 39 39 17626 1 . ALA 40 40 17626 1 . GLN 41 41 17626 1 . TYR 42 42 17626 1 . CYS 43 43 17626 1 . ILE 44 44 17626 1 . LYS 45 45 17626 1 . ARG 46 46 17626 1 . MET 47 47 17626 1 . PRO 48 48 17626 1 . ALA 49 49 17626 1 . TYR 50 50 17626 1 . SER 51 51 17626 1 . GLY 52 52 17626 1 . PRO 53 53 17626 1 . GLY 54 54 17626 1 . SER 55 55 17626 1 . VAL 56 56 17626 1 . PRO 57 57 17626 1 . GLY 58 58 17626 1 . ALA 59 59 17626 1 . LEU 60 60 17626 1 . ASP 61 61 17626 1 . TYR 62 62 17626 1 . ALA 63 63 17626 1 . ALA 64 64 17626 1 . PHE 65 65 17626 1 . SER 66 66 17626 1 . SER 67 67 17626 1 . ALA 68 68 17626 1 . LEU 69 69 17626 1 . TYR 70 70 17626 1 . GLY 71 71 17626 1 . GLU 72 72 17626 1 . SER 73 73 17626 1 . ASP 74 74 17626 1 . LEU 75 75 17626 1 stop_ save_ save_palladin _Entity.Sf_category entity _Entity.Sf_framecode palladin _Entity.Entry_ID 17626 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name palladin _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 HGQTPAAFLSALLPSQP _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 235-252 of 90kDa (isoform #4) of palladin' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'minimal actinin binding site of palladin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1777 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 DBJ BAA76836 . "KIAA0992 protein [Homo sapiens]" . . . . . 100.00 772 100.00 100.00 7.57e-01 . . . . 17626 2 2 no DBJ BAG09933 . "palladin [synthetic construct]" . . . . . 100.00 672 100.00 100.00 6.14e-01 . . . . 17626 2 3 no GB AAG00079 . "90 kDa actin-associated protein palladin [Mus musculus]" . . . . . 94.12 323 100.00 100.00 9.73e+00 . . . . 17626 2 4 no GB EDL87206 . "rCG59206 [Rattus norvegicus]" . . . . . 94.12 580 100.00 100.00 6.50e+00 . . . . 17626 2 5 no REF XP_004852973 . "PREDICTED: palladin isoform X1 [Heterocephalus glaber]" . . . . . 94.12 1370 100.00 100.00 6.22e+00 . . . . 17626 2 6 no REF XP_004852974 . "PREDICTED: palladin isoform X2 [Heterocephalus glaber]" . . . . . 94.12 1154 100.00 100.00 7.16e+00 . . . . 17626 2 7 no REF XP_005003446 . "PREDICTED: LOW QUALITY PROTEIN: palladin [Cavia porcellus]" . . . . . 94.12 1375 100.00 100.00 6.45e+00 . . . . 17626 2 8 no REF XP_005369855 . "PREDICTED: palladin isoform X1 [Microtus ochrogaster]" . . . . . 94.12 1407 100.00 100.00 6.53e+00 . . . . 17626 2 9 no REF XP_005369857 . "PREDICTED: palladin isoform X3 [Microtus ochrogaster]" . . . . . 94.12 1001 100.00 100.00 7.44e+00 . . . . 17626 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cytoskeletal protein required for organization of normal actin cytoskeleton; scaffolding protein' 17626 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 . HIS . 17626 2 2 . GLY . 17626 2 3 . GLN . 17626 2 4 . THR . 17626 2 5 . PRO . 17626 2 6 . ALA . 17626 2 7 . ALA . 17626 2 8 . PHE . 17626 2 9 . LEU . 17626 2 10 . SER . 17626 2 11 . ALA . 17626 2 12 . LEU . 17626 2 13 . LEU . 17626 2 14 . PRO . 17626 2 15 . SER . 17626 2 16 . GLN . 17626 2 17 . PRO . 17626 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 . HIS 1 1 17626 2 . GLY 2 2 17626 2 . GLN 3 3 17626 2 . THR 4 4 17626 2 . PRO 5 5 17626 2 . ALA 6 6 17626 2 . ALA 7 7 17626 2 . PHE 8 8 17626 2 . LEU 9 9 17626 2 . SER 10 10 17626 2 . ALA 11 11 17626 2 . LEU 12 12 17626 2 . LEU 13 13 17626 2 . PRO 14 14 17626 2 . SER 15 15 17626 2 . GLN 16 16 17626 2 . PRO 17 17 17626 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 17626 _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 $Act2-EF34 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17626 1 2 2 $palladin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17626 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 17626 _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 $Act2-EF34 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET9d . . . 'N-terminal 6-His tag followed by TEV protease site' . . 17626 1 2 2 $palladin . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17626 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17626 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Act2-EF34 '[U-100% 15N]' . . 1 $Act2-EF34 . . . 0.2 0.5 mM . . . . 17626 1 2 palladin 'natural abundance' . . 2 $palladin . . . 0.5 2 mM . . . . 17626 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17626 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 17626 1 5 TCEP 'natural abundance' . . . . . . . 2 5 mM . . . . 17626 1 6 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 17626 1 7 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17626 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17626 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17626 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _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 Act2-EF34 '[U-100% 13C; U-100% 15N]' . . 1 $Act2-EF34 . . . 0.2 0.5 mM . . . . 17626 2 2 palladin 'natural abundance' . . 2 $palladin . . . 0.5 2 mM . . . . 17626 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17626 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 17626 2 5 TCEP 'natural abundance' . . . . . . . 2 5 mM . . . . 17626 2 6 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 17626 2 7 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17626 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17626 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17626 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 17626 1 pH 6.6 . pH 17626 1 pressure 1 . atm 17626 1 temperature 300 . K 17626 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17626 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17626 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17626 1 stop_ save_ save_NMRViewJ _Software.Sf_category software _Software.Sf_framecode NMRViewJ _Software.Entry_ID 17626 _Software.ID 2 _Software.Name NMRViewJ _Software.Version 8.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17626 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17626 2 'data analysis' 17626 2 'peak picking' 17626 2 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 17626 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17626 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17626 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'without cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17626 _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 Varian INOVA . 600 . . . 17626 1 2 spectrometer_2 Varian INOVA . 700 cryoprobe . . 17626 1 3 spectrometer_3 Varian INOVA . 700 'without cryoprobe' . . 17626 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 17626 _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 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17626 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17626 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17626 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17626 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17626 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17626 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17626 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17626 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17626 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 17626 1 2 '3D CBCA(CO)NH' . . . 17626 1 3 '3D HNCO' . . . 17626 1 4 '3D HNCACB' . . . 17626 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 3 3 MET H H 1 8.48 . . 1 . . . . 3 MET HN . 17626 1 2 . 1 1 3 3 MET CA C 13 55.62 . . 1 . . . . 3 MET CA . 17626 1 3 . 1 1 3 3 MET CB C 13 32.9 . . 1 . . . . 3 MET CB . 17626 1 4 . 1 1 3 3 MET N N 15 119.49 . . 1 . . . . 3 MET N . 17626 1 5 . 1 1 4 4 ALA H H 1 8.35 . . 1 . . . . 4 ALA HN . 17626 1 6 . 1 1 4 4 ALA CA C 13 52.64 . . 1 . . . . 4 ALA CA . 17626 1 7 . 1 1 4 4 ALA CB C 13 19.28 . . 1 . . . . 4 ALA CB . 17626 1 8 . 1 1 4 4 ALA N N 15 124.85 . . 1 . . . . 4 ALA N . 17626 1 9 . 1 1 5 5 ASP H H 1 8.39 . . 1 . . . . 5 ASP HN . 17626 1 10 . 1 1 5 5 ASP CA C 13 54.65 . . 1 . . . . 5 ASP CA . 17626 1 11 . 1 1 5 5 ASP CB C 13 41.09 . . 1 . . . . 5 ASP CB . 17626 1 12 . 1 1 5 5 ASP N N 15 119.76 . . 1 . . . . 5 ASP N . 17626 1 13 . 1 1 6 6 THR H H 1 8.08 . . 1 . . . . 6 THR HN . 17626 1 14 . 1 1 6 6 THR CA C 13 62.6 . . 1 . . . . 6 THR CA . 17626 1 15 . 1 1 6 6 THR CB C 13 70.22 . . 1 . . . . 6 THR CB . 17626 1 16 . 1 1 6 6 THR N N 15 113.22 . . 1 . . . . 6 THR N . 17626 1 17 . 1 1 7 7 ASP H H 1 8.43 . . 1 . . . . 7 ASP HN . 17626 1 18 . 1 1 7 7 ASP CA C 13 55.13 . . 1 . . . . 7 ASP CA . 17626 1 19 . 1 1 7 7 ASP CB C 13 41.01 . . 1 . . . . 7 ASP CB . 17626 1 20 . 1 1 7 7 ASP N N 15 122.71 . . 1 . . . . 7 ASP N . 17626 1 21 . 1 1 9 9 ALA H H 1 8.52 . . 1 . . . . 9 ALA HN . 17626 1 22 . 1 1 9 9 ALA N N 15 122.51 . . 1 . . . . 9 ALA N . 17626 1 23 . 1 1 11 11 GLN H H 1 8.01 . . 1 . . . . 11 GLN HN . 17626 1 24 . 1 1 11 11 GLN CA C 13 58.75 . . 1 . . . . 11 GLN CA . 17626 1 25 . 1 1 11 11 GLN CB C 13 28.74 . . 1 . . . . 11 GLN CB . 17626 1 26 . 1 1 11 11 GLN N N 15 119.71 . . 1 . . . . 11 GLN N . 17626 1 27 . 1 1 13 13 ILE H H 1 8.64 . . 1 . . . . 13 ILE HN . 17626 1 28 . 1 1 13 13 ILE CA C 13 67.81 . . 1 . . . . 13 ILE CA . 17626 1 29 . 1 1 13 13 ILE CB C 13 38.03 . . 1 . . . . 13 ILE CB . 17626 1 30 . 1 1 13 13 ILE N N 15 120.97 . . 1 . . . . 13 ILE N . 17626 1 31 . 1 1 15 15 SER H H 1 7.81 . . 1 . . . . 15 SER HN . 17626 1 32 . 1 1 15 15 SER CA C 13 61.96 . . 1 . . . . 15 SER CA . 17626 1 33 . 1 1 15 15 SER CB C 13 64.95 . . 1 . . . . 15 SER CB . 17626 1 34 . 1 1 15 15 SER N N 15 114.16 . . 1 . . . . 15 SER N . 17626 1 35 . 1 1 16 16 PHE CA C 13 55.93 . . 1 . . . . 16 PHE CA . 17626 1 36 . 1 1 16 16 PHE CB C 13 32.41 . . 1 . . . . 16 PHE CB . 17626 1 37 . 1 1 17 17 ARG H H 1 8.38 . . 1 . . . . 17 ARG HN . 17626 1 38 . 1 1 17 17 ARG CA C 13 60.48 . . 1 . . . . 17 ARG CA . 17626 1 39 . 1 1 17 17 ARG CB C 13 29.55 . . 1 . . . . 17 ARG CB . 17626 1 40 . 1 1 17 17 ARG N N 15 119.19 . . 1 . . . . 17 ARG N . 17626 1 41 . 1 1 18 18 ILE H H 1 7.39 . . 1 . . . . 18 ILE HN . 17626 1 42 . 1 1 18 18 ILE CA C 13 65.14 . . 1 . . . . 18 ILE CA . 17626 1 43 . 1 1 18 18 ILE CB C 13 37.97 . . 1 . . . . 18 ILE CB . 17626 1 44 . 1 1 18 18 ILE N N 15 118.80 . . 1 . . . . 18 ILE N . 17626 1 45 . 1 1 19 19 LEU H H 1 7.56 . . 1 . . . . 19 LEU HN . 17626 1 46 . 1 1 19 19 LEU CA C 13 54.37 . . 1 . . . . 19 LEU CA . 17626 1 47 . 1 1 19 19 LEU CB C 13 42.47 . . 1 . . . . 19 LEU CB . 17626 1 48 . 1 1 19 19 LEU N N 15 122.75 . . 1 . . . . 19 LEU N . 17626 1 49 . 1 1 20 20 ALA H H 1 8.11 . . 1 . . . . 20 ALA HN . 17626 1 50 . 1 1 20 20 ALA CA C 13 51.46 . . 1 . . . . 20 ALA CA . 17626 1 51 . 1 1 20 20 ALA CB C 13 18.75 . . 1 . . . . 20 ALA CB . 17626 1 52 . 1 1 20 20 ALA N N 15 119.39 . . 1 . . . . 20 ALA N . 17626 1 53 . 1 1 22 22 ASP H H 1 8.77 . . 1 . . . . 22 ASP HN . 17626 1 54 . 1 1 22 22 ASP CA C 13 56.15 . . 1 . . . . 22 ASP CA . 17626 1 55 . 1 1 22 22 ASP CB C 13 40.15 . . 1 . . . . 22 ASP CB . 17626 1 56 . 1 1 22 22 ASP N N 15 111.73 . . 1 . . . . 22 ASP N . 17626 1 57 . 1 1 23 23 LYS H H 1 7.24 . . 1 . . . . 23 LYS HN . 17626 1 58 . 1 1 23 23 LYS CA C 13 56.15 . . 1 . . . . 23 LYS CA . 17626 1 59 . 1 1 23 23 LYS CB C 13 31.55 . . 1 . . . . 23 LYS CB . 17626 1 60 . 1 1 23 23 LYS N N 15 118.91 . . 1 . . . . 23 LYS N . 17626 1 61 . 1 1 25 25 TYR H H 1 6.51 . . 1 . . . . 25 TYR HN . 17626 1 62 . 1 1 25 25 TYR CA C 13 54.73 . . 1 . . . . 25 TYR CA . 17626 1 63 . 1 1 25 25 TYR CB C 13 40.54 . . 1 . . . . 25 TYR CB . 17626 1 64 . 1 1 25 25 TYR N N 15 114.03 . . 1 . . . . 25 TYR N . 17626 1 65 . 1 1 26 26 ILE H H 1 9.16 . . 1 . . . . 26 ILE HN . 17626 1 66 . 1 1 26 26 ILE CA C 13 59.12 . . 1 . . . . 26 ILE CA . 17626 1 67 . 1 1 26 26 ILE CB C 13 44.06 . . 1 . . . . 26 ILE CB . 17626 1 68 . 1 1 26 26 ILE N N 15 116.97 . . 1 . . . . 26 ILE N . 17626 1 69 . 1 1 27 27 LEU H H 1 8.83 . . 1 . . . . 27 LEU HN . 17626 1 70 . 1 1 27 27 LEU CA C 13 53.24 . . 1 . . . . 27 LEU CA . 17626 1 71 . 1 1 27 27 LEU CB C 13 44.19 . . 1 . . . . 27 LEU CB . 17626 1 72 . 1 1 27 27 LEU N N 15 124.34 . . 1 . . . . 27 LEU N . 17626 1 73 . 1 1 28 28 ALA H H 1 9.76 . . 1 . . . . 28 ALA HN . 17626 1 74 . 1 1 28 28 ALA CA C 13 56.39 . . 1 . . . . 28 ALA CA . 17626 1 75 . 1 1 28 28 ALA CB C 13 17.77 . . 1 . . . . 28 ALA CB . 17626 1 76 . 1 1 28 28 ALA N N 15 126.32 . . 1 . . . . 28 ALA N . 17626 1 77 . 1 1 29 29 GLU H H 1 9.36 . . 1 . . . . 29 GLU HN . 17626 1 78 . 1 1 29 29 GLU CA C 13 59.82 . . 1 . . . . 29 GLU CA . 17626 1 79 . 1 1 29 29 GLU CB C 13 28.93 . . 1 . . . . 29 GLU CB . 17626 1 80 . 1 1 29 29 GLU N N 15 114.29 . . 1 . . . . 29 GLU N . 17626 1 81 . 1 1 30 30 GLU H H 1 7.19 . . 1 . . . . 30 GLU HN . 17626 1 82 . 1 1 30 30 GLU CA C 13 59.11 . . 1 . . . . 30 GLU CA . 17626 1 83 . 1 1 30 30 GLU CB C 13 28.97 . . 1 . . . . 30 GLU CB . 17626 1 84 . 1 1 30 30 GLU N N 15 118.72 . . 1 . . . . 30 GLU N . 17626 1 85 . 1 1 31 31 LEU H H 1 7.43 . . 1 . . . . 31 LEU HN . 17626 1 86 . 1 1 31 31 LEU CA C 13 58.73 . . 1 . . . . 31 LEU CA . 17626 1 87 . 1 1 31 31 LEU CB C 13 42.56 . . 1 . . . . 31 LEU CB . 17626 1 88 . 1 1 31 31 LEU N N 15 118.44 . . 1 . . . . 31 LEU N . 17626 1 89 . 1 1 32 32 ARG H H 1 8.22 . . 1 . . . . 32 ARG HN . 17626 1 90 . 1 1 32 32 ARG CA C 13 58.72 . . 1 . . . . 32 ARG CA . 17626 1 91 . 1 1 32 32 ARG CB C 13 30.34 . . 1 . . . . 32 ARG CB . 17626 1 92 . 1 1 32 32 ARG N N 15 113.92 . . 1 . . . . 32 ARG N . 17626 1 93 . 1 1 33 33 ARG H H 1 7.48 . . 1 . . . . 33 ARG HN . 17626 1 94 . 1 1 33 33 ARG CA C 13 58.75 . . 1 . . . . 33 ARG CA . 17626 1 95 . 1 1 33 33 ARG CB C 13 30.96 . . 1 . . . . 33 ARG CB . 17626 1 96 . 1 1 33 33 ARG N N 15 116.87 . . 1 . . . . 33 ARG N . 17626 1 97 . 1 1 34 34 GLU H H 1 7.21 . . 1 . . . . 34 GLU HN . 17626 1 98 . 1 1 34 34 GLU CA C 13 56.57 . . 1 . . . . 34 GLU CA . 17626 1 99 . 1 1 34 34 GLU CB C 13 32.64 . . 1 . . . . 34 GLU CB . 17626 1 100 . 1 1 34 34 GLU N N 15 113.12 . . 1 . . . . 34 GLU N . 17626 1 101 . 1 1 35 35 LEU H H 1 7.77 . . 1 . . . . 35 LEU HN . 17626 1 102 . 1 1 35 35 LEU CA C 13 51.88 . . 1 . . . . 35 LEU CA . 17626 1 103 . 1 1 35 35 LEU CB C 13 42.92 . . 1 . . . . 35 LEU CB . 17626 1 104 . 1 1 35 35 LEU N N 15 117.89 . . 1 . . . . 35 LEU N . 17626 1 105 . 1 1 39 39 GLN H H 1 9.01 . . 1 . . . . 38 GLN HN . 17626 1 106 . 1 1 39 39 GLN CA C 13 57.62 . . 1 . . . . 38 GLN CA . 17626 1 107 . 1 1 39 39 GLN CB C 13 39.66 . . 1 . . . . 38 GLN CB . 17626 1 108 . 1 1 39 39 GLN N N 15 116.59 . . 1 . . . . 38 GLN N . 17626 1 109 . 1 1 40 40 ALA H H 1 7.64 . . 1 . . . . 39 ALA HN . 17626 1 110 . 1 1 40 40 ALA CA C 13 59.09 . . 1 . . . . 39 ALA CA . 17626 1 111 . 1 1 40 40 ALA CB C 13 17.41 . . 1 . . . . 39 ALA CB . 17626 1 112 . 1 1 40 40 ALA N N 15 121.34 . . 1 . . . . 39 ALA N . 17626 1 113 . 1 1 41 41 GLN H H 1 8.88 . . 1 . . . . 40 GLN HN . 17626 1 114 . 1 1 41 41 GLN CA C 13 56.53 . . 1 . . . . 40 GLN CA . 17626 1 115 . 1 1 41 41 GLN CB C 13 17.41 . . 1 . . . . 40 GLN CB . 17626 1 116 . 1 1 41 41 GLN N N 15 122.70 . . 1 . . . . 40 GLN N . 17626 1 117 . 1 1 42 42 TYR H H 1 8.36 . . 1 . . . . 41 TYR HN . 17626 1 118 . 1 1 42 42 TYR CA C 13 58.89 . . 1 . . . . 41 TYR CA . 17626 1 119 . 1 1 42 42 TYR CB C 13 28.13 . . 1 . . . . 41 TYR CB . 17626 1 120 . 1 1 42 42 TYR N N 15 115.43 . . 1 . . . . 41 TYR N . 17626 1 121 . 1 1 43 43 CYS H H 1 7.71 . . 1 . . . . 42 CYS HN . 17626 1 122 . 1 1 43 43 CYS N N 15 120.10 . . 1 . . . . 42 CYS N . 17626 1 123 . 1 1 45 45 LYS H H 1 8.49 . . 1 . . . . 44 LYS HN . 17626 1 124 . 1 1 45 45 LYS CA C 13 66.09 . . 1 . . . . 44 LYS CA . 17626 1 125 . 1 1 45 45 LYS CB C 13 38.56 . . 1 . . . . 44 LYS CB . 17626 1 126 . 1 1 45 45 LYS N N 15 120.27 . . 1 . . . . 44 LYS N . 17626 1 127 . 1 1 46 46 ARG H H 1 7.72 . . 1 . . . . 45 ARG HN . 17626 1 128 . 1 1 46 46 ARG CA C 13 57.29 . . 1 . . . . 45 ARG CA . 17626 1 129 . 1 1 46 46 ARG CB C 13 32.8 . . 1 . . . . 45 ARG CB . 17626 1 130 . 1 1 46 46 ARG N N 15 114.89 . . 1 . . . . 45 ARG N . 17626 1 131 . 1 1 47 47 MET H H 1 7.27 . . 1 . . . . 46 MET HN . 17626 1 132 . 1 1 47 47 MET CA C 13 56.16 . . 1 . . . . 46 MET CA . 17626 1 133 . 1 1 47 47 MET CB C 13 32.24 . . 1 . . . . 46 MET CB . 17626 1 134 . 1 1 47 47 MET N N 15 115.14 . . 1 . . . . 46 MET N . 17626 1 135 . 1 1 48 48 PRO CA C 13 56.99 . . 1 . . . . 47 PRO CA . 17626 1 136 . 1 1 48 48 PRO CB C 13 43.49 . . 1 . . . . 47 PRO CB . 17626 1 137 . 1 1 48 48 PRO N N 15 127.44 . . 1 . . . . 47 PRO N . 17626 1 138 . 1 1 50 50 TYR H H 1 8.51 . . 1 . . . . 49 TYR HN . 17626 1 139 . 1 1 50 50 TYR CA C 13 52.81 . . 1 . . . . 49 TYR CA . 17626 1 140 . 1 1 50 50 TYR CB C 13 18.38 . . 1 . . . . 49 TYR CB . 17626 1 141 . 1 1 50 50 TYR N N 15 122.19 . . 1 . . . . 49 TYR N . 17626 1 142 . 1 1 51 51 SER H H 1 8.31 . . 1 . . . . 50 SER HN . 17626 1 143 . 1 1 51 51 SER CA C 13 57.69 . . 1 . . . . 50 SER CA . 17626 1 144 . 1 1 51 51 SER CB C 13 38.96 . . 1 . . . . 50 SER CB . 17626 1 145 . 1 1 51 51 SER N N 15 122.71 . . 1 . . . . 50 SER N . 17626 1 146 . 1 1 52 52 GLY H H 1 8.76 . . 1 . . . . 51 GLY HN . 17626 1 147 . 1 1 52 52 GLY CA C 13 56.73 . . 1 . . . . 51 GLY CA . 17626 1 148 . 1 1 52 52 GLY N N 15 124.49 . . 1 . . . . 51 GLY N . 17626 1 149 . 1 1 56 56 VAL CA C 13 45.7 . . 1 . . . . 54 VAL CA . 17626 1 150 . 1 1 56 56 VAL CB C 13 60 . . 1 . . . . 54 VAL CB . 17626 1 151 . 1 1 57 57 PRO CA C 13 59.91 . . 1 . . . . 55 PRO CA . 17626 1 152 . 1 1 57 57 PRO CB C 13 63.17 . . 1 . . . . 55 PRO CB . 17626 1 153 . 1 1 57 57 PRO N N 15 111.80 . . 1 . . . . 55 PRO N . 17626 1 154 . 1 1 58 58 GLY H H 1 6.29 . . 1 . . . . 56 GLY HN . 17626 1 155 . 1 1 58 58 GLY CA C 13 58.06 . . 1 . . . . 56 GLY CA . 17626 1 156 . 1 1 58 58 GLY N N 15 114.26 . . 1 . . . . 56 GLY N . 17626 1 157 . 1 1 60 60 LEU H H 1 8.63 . . 1 . . . . 58 LEU HN . 17626 1 158 . 1 1 60 60 LEU CA C 13 44.8 . . 1 . . . . 58 LEU CA . 17626 1 159 . 1 1 60 60 LEU CB C 13 20 . . 1 . . . . 58 LEU CB . 17626 1 160 . 1 1 60 60 LEU N N 15 112.10 . . 1 . . . . 58 LEU N . 17626 1 161 . 1 1 61 61 ASP H H 1 7.79 . . 1 . . . . 59 ASP HN . 17626 1 162 . 1 1 61 61 ASP CA C 13 53.72 . . 1 . . . . 59 ASP CA . 17626 1 163 . 1 1 61 61 ASP CB C 13 44.81 . . 1 . . . . 59 ASP CB . 17626 1 164 . 1 1 61 61 ASP N N 15 121.77 . . 1 . . . . 59 ASP N . 17626 1 165 . 1 1 62 62 TYR H H 1 9.40 . . 1 . . . . 60 TYR HN . 17626 1 166 . 1 1 62 62 TYR CA C 13 54.58 . . 1 . . . . 60 TYR CA . 17626 1 167 . 1 1 62 62 TYR CB C 13 43.8 . . 1 . . . . 60 TYR CB . 17626 1 168 . 1 1 62 62 TYR N N 15 126.65 . . 1 . . . . 60 TYR N . 17626 1 169 . 1 1 63 63 ALA H H 1 9.20 . . 1 . . . . 61 ALA HN . 17626 1 170 . 1 1 63 63 ALA CA C 13 52.29 . . 1 . . . . 61 ALA CA . 17626 1 171 . 1 1 63 63 ALA CB C 13 41.26 . . 1 . . . . 61 ALA CB . 17626 1 172 . 1 1 63 63 ALA N N 15 121.96 . . 1 . . . . 61 ALA N . 17626 1 173 . 1 1 64 64 ALA H H 1 7.14 . . 1 . . . . 62 ALA HN . 17626 1 174 . 1 1 64 64 ALA CA C 13 58.71 . . 1 . . . . 62 ALA CA . 17626 1 175 . 1 1 64 64 ALA CB C 13 37.22 . . 1 . . . . 62 ALA CB . 17626 1 176 . 1 1 64 64 ALA N N 15 122.80 . . 1 . . . . 62 ALA N . 17626 1 177 . 1 1 65 65 PHE H H 1 8.52 . . 1 . . . . 63 PHE HN . 17626 1 178 . 1 1 65 65 PHE N N 15 132.99 . . 1 . . . . 63 PHE N . 17626 1 179 . 1 1 66 66 SER H H 1 7.90 . . 1 . . . . 64 SER HN . 17626 1 180 . 1 1 66 66 SER CA C 13 54.63 . . 1 . . . . 64 SER CA . 17626 1 181 . 1 1 66 66 SER CB C 13 18.56 . . 1 . . . . 64 SER CB . 17626 1 182 . 1 1 66 66 SER N N 15 122.77 . . 1 . . . . 64 SER N . 17626 1 183 . 1 1 67 67 SER H H 1 7.35 . . 1 . . . . 65 SER HN . 17626 1 184 . 1 1 67 67 SER CA C 13 59.97 . . 1 . . . . 65 SER CA . 17626 1 185 . 1 1 67 67 SER CB C 13 41.59 . . 1 . . . . 65 SER CB . 17626 1 186 . 1 1 67 67 SER N N 15 117.26 . . 1 . . . . 65 SER N . 17626 1 187 . 1 1 69 69 LEU H H 1 8.34 . . 1 . . . . 67 LEU HN . 17626 1 188 . 1 1 69 69 LEU CA C 13 59.59 . . 1 . . . . 67 LEU CA . 17626 1 189 . 1 1 69 69 LEU CB C 13 61.46 . . 1 . . . . 67 LEU CB . 17626 1 190 . 1 1 69 69 LEU N N 15 117.45 . . 1 . . . . 67 LEU N . 17626 1 191 . 1 1 70 70 TYR H H 1 7.76 . . 1 . . . . 68 TYR HN . 17626 1 192 . 1 1 70 70 TYR CA C 13 58.31 . . 1 . . . . 68 TYR CA . 17626 1 193 . 1 1 70 70 TYR CB C 13 41.41 . . 1 . . . . 68 TYR CB . 17626 1 194 . 1 1 70 70 TYR N N 15 123.24 . . 1 . . . . 68 TYR N . 17626 1 195 . 1 1 71 71 GLY H H 1 7.46 . . 1 . . . . 69 GLY HN . 17626 1 196 . 1 1 71 71 GLY CA C 13 57 . . 1 . . . . 69 GLY CA . 17626 1 197 . 1 1 71 71 GLY N N 15 118.07 . . 1 . . . . 69 GLY N . 17626 1 198 . 1 1 73 73 SER H H 1 7.77 . . 1 . . . . 71 SER HN . 17626 1 199 . 1 1 73 73 SER CA C 13 45.5 . . 1 . . . . 71 SER CA . 17626 1 200 . 1 1 73 73 SER CB C 13 50 . . 1 . . . . 71 SER CB . 17626 1 201 . 1 1 73 73 SER N N 15 109.22 . . 1 . . . . 71 SER N . 17626 1 202 . 1 1 74 74 ASP H H 1 8.35 . . 1 . . . . 72 ASP HN . 17626 1 203 . 1 1 74 74 ASP CA C 13 56.43 . . 1 . . . . 72 ASP CA . 17626 1 204 . 1 1 74 74 ASP CB C 13 30.45 . . 1 . . . . 72 ASP CB . 17626 1 205 . 1 1 74 74 ASP N N 15 120.38 . . 1 . . . . 72 ASP N . 17626 1 206 . 1 1 75 75 LEU H H 1 8.35 . . 1 . . . . 73 LEU HN . 17626 1 207 . 1 1 75 75 LEU CA C 13 58.51 . . 1 . . . . 73 LEU CA . 17626 1 208 . 1 1 75 75 LEU CB C 13 64.47 . . 1 . . . . 73 LEU CB . 17626 1 209 . 1 1 75 75 LEU N N 15 117.00 . . 1 . . . . 73 LEU N . 17626 1 stop_ save_