data_5084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5084 _Entry.Title ; 1H and 15N Chemical Shift Assignments for the Complex of C-terminal Domain of Human Poly(A)-Binding Protein and 22-residue Fragment of Paip1 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-07-18 _Entry.Accession_date 2001-07-23 _Entry.Last_release_date 2003-12-08 _Entry.Original_release_date 2003-12-08 _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 G. Kozlov . . . 5084 2 N. Siddiqui . . . 5084 3 S. Coillet-Matillon . . . 5084 4 I. Ekiel . . . 5084 5 K. Gehring . . . 5084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5084 coupling_constants 1 5084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 504 5084 '15N chemical shifts' 101 5084 'coupling constants' 18 5084 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 . . 2003-12-08 2001-07-18 original author . 5084 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4915 'non-liganded C-terminal domain of PABP' 5084 BMRB 5085 'PABC-Paip2 complex' 5084 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5084 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11287632 _Citation.Full_citation . _Citation.Title ; Structure and function of the C-terminal PABC domain of human poly(A)-binding protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 98 _Citation.Journal_issue 8 _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 4409 _Citation.Page_last 4413 _Citation.Year 2001 _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 G. Kozlov . . . 5084 1 2 J. Trempe . F. . 5084 1 3 K. Khaleghpour . . . 5084 1 4 A. Kahvejian . . . 5084 1 5 I. Ekiel . . . 5084 1 6 K. Gehring . . . 5084 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'all-helical domain' 5084 1 'protein-peptide complex' 5084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PABC-Paip1_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PABC-Paip1_complex _Assembly.Entry_ID 5084 _Assembly.ID 1 _Assembly.Name 'PABC-Paip1 complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5084 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 'polyadenylate-binding protein 1 (544-636)' 1 $PABC . . . native . . . . . 5084 1 2 'polyadenylate-binding protein-interacting protein-1 (126-147)' 2 $Paip1 . . . native . . . . . 5084 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JH4 . . . . . . 5084 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PABC-Paip1 complex' system 5084 1 'PABC-Paip1 complex' abbreviation 5084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PABC _Entity.Sf_category entity _Entity.Sf_framecode PABC _Entity.Entry_ID 5084 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal domain of PABP' _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 ; GPLGSPLTASMLASAPPQEQ KQMLGERLFPLIQAMHPTLA GKITGMLLEIDNSELLHMLE SPESLRSKVDEAVAVLQAHQ AKEAAQKAVNSATGVPTV ; _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 98 _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 10337 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'N-terminal sequence GPLGS is a cloning artifact' _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 1JH4 . "Solution Structure Of The C-Terminal Pabc Domain Of Human Poly(A)-Binding Protein In Complex With The Peptide From Paip1" . . . . . 95.45 22 100.00 100.00 3.74e-04 . . . . 5084 1 2 no PDB 3NTW . "Structure Of The Mlle Domain Of Edd In Complex With A Pam2 Peptide From Paip1" . . . . . 100.00 22 100.00 100.00 6.74e-05 . . . . 5084 1 3 no EMBL CAB66854 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 479 100.00 100.00 3.23e-04 . . . . 5084 1 4 no GB AAC39697 . "polyadenylate binding protein-interacting protein-1 [Homo sapiens]" . . . . . 100.00 479 100.00 100.00 3.23e-04 . . . . 5084 1 5 no GB AAH05295 . "Poly(A) binding protein interacting protein 1 [Homo sapiens]" . . . . . 100.00 400 100.00 100.00 1.67e-04 . . . . 5084 1 6 no GB AAH15937 . "Poly(A) binding protein interacting protein 1 [Homo sapiens]" . . . . . 100.00 479 100.00 100.00 3.20e-04 . . . . 5084 1 7 no GB ABM82036 . "poly(A) binding protein interacting protein 1 [synthetic construct]" . . . . . 100.00 479 100.00 100.00 3.20e-04 . . . . 5084 1 8 no GB ABW03359 . "poly(A) binding protein interacting protein 1 [synthetic construct]" . . . . . 100.00 479 100.00 100.00 3.20e-04 . . . . 5084 1 9 no REF NP_006442 . "polyadenylate-binding protein-interacting protein 1 isoform 1 [Homo sapiens]" . . . . . 100.00 479 100.00 100.00 3.23e-04 . . . . 5084 1 10 no REF NP_877590 . "polyadenylate-binding protein-interacting protein 1 isoform 2 [Homo sapiens]" . . . . . 100.00 400 100.00 100.00 1.67e-04 . . . . 5084 1 11 no REF NP_899152 . "polyadenylate-binding protein-interacting protein 1 isoform 3 [Homo sapiens]" . . . . . 100.00 367 100.00 100.00 9.98e-05 . . . . 5084 1 12 no REF XP_003811055 . "PREDICTED: polyadenylate-binding protein-interacting protein 1 isoform X1 [Pan paniscus]" . . . . . 100.00 479 100.00 100.00 2.91e-04 . . . . 5084 1 13 no REF XP_003811056 . "PREDICTED: polyadenylate-binding protein-interacting protein 1 isoform X2 [Pan paniscus]" . . . . . 100.00 400 100.00 100.00 1.47e-04 . . . . 5084 1 14 no SP Q9H074 . "RecName: Full=Polyadenylate-binding protein-interacting protein 1; Short=PABP-interacting protein 1; Short=PAIP-1; Short=Poly(A" . . . . . 100.00 479 100.00 100.00 3.23e-04 . . . . 5084 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal domain of PABP' common 5084 1 PABC abbreviation 5084 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 . 5084 1 2 . PRO . 5084 1 3 . LEU . 5084 1 4 . GLY . 5084 1 5 . SER . 5084 1 6 . PRO . 5084 1 7 . LEU . 5084 1 8 . THR . 5084 1 9 . ALA . 5084 1 10 . SER . 5084 1 11 . MET . 5084 1 12 . LEU . 5084 1 13 . ALA . 5084 1 14 . SER . 5084 1 15 . ALA . 5084 1 16 . PRO . 5084 1 17 . PRO . 5084 1 18 . GLN . 5084 1 19 . GLU . 5084 1 20 . GLN . 5084 1 21 . LYS . 5084 1 22 . GLN . 5084 1 23 . MET . 5084 1 24 . LEU . 5084 1 25 . GLY . 5084 1 26 . GLU . 5084 1 27 . ARG . 5084 1 28 . LEU . 5084 1 29 . PHE . 5084 1 30 . PRO . 5084 1 31 . LEU . 5084 1 32 . ILE . 5084 1 33 . GLN . 5084 1 34 . ALA . 5084 1 35 . MET . 5084 1 36 . HIS . 5084 1 37 . PRO . 5084 1 38 . THR . 5084 1 39 . LEU . 5084 1 40 . ALA . 5084 1 41 . GLY . 5084 1 42 . LYS . 5084 1 43 . ILE . 5084 1 44 . THR . 5084 1 45 . GLY . 5084 1 46 . MET . 5084 1 47 . LEU . 5084 1 48 . LEU . 5084 1 49 . GLU . 5084 1 50 . ILE . 5084 1 51 . ASP . 5084 1 52 . ASN . 5084 1 53 . SER . 5084 1 54 . GLU . 5084 1 55 . LEU . 5084 1 56 . LEU . 5084 1 57 . HIS . 5084 1 58 . MET . 5084 1 59 . LEU . 5084 1 60 . GLU . 5084 1 61 . SER . 5084 1 62 . PRO . 5084 1 63 . GLU . 5084 1 64 . SER . 5084 1 65 . LEU . 5084 1 66 . ARG . 5084 1 67 . SER . 5084 1 68 . LYS . 5084 1 69 . VAL . 5084 1 70 . ASP . 5084 1 71 . GLU . 5084 1 72 . ALA . 5084 1 73 . VAL . 5084 1 74 . ALA . 5084 1 75 . VAL . 5084 1 76 . LEU . 5084 1 77 . GLN . 5084 1 78 . ALA . 5084 1 79 . HIS . 5084 1 80 . GLN . 5084 1 81 . ALA . 5084 1 82 . LYS . 5084 1 83 . GLU . 5084 1 84 . ALA . 5084 1 85 . ALA . 5084 1 86 . GLN . 5084 1 87 . LYS . 5084 1 88 . ALA . 5084 1 89 . VAL . 5084 1 90 . ASN . 5084 1 91 . SER . 5084 1 92 . ALA . 5084 1 93 . THR . 5084 1 94 . GLY . 5084 1 95 . VAL . 5084 1 96 . PRO . 5084 1 97 . THR . 5084 1 98 . VAL . 5084 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 5084 1 . PRO 2 2 5084 1 . LEU 3 3 5084 1 . GLY 4 4 5084 1 . SER 5 5 5084 1 . PRO 6 6 5084 1 . LEU 7 7 5084 1 . THR 8 8 5084 1 . ALA 9 9 5084 1 . SER 10 10 5084 1 . MET 11 11 5084 1 . LEU 12 12 5084 1 . ALA 13 13 5084 1 . SER 14 14 5084 1 . ALA 15 15 5084 1 . PRO 16 16 5084 1 . PRO 17 17 5084 1 . GLN 18 18 5084 1 . GLU 19 19 5084 1 . GLN 20 20 5084 1 . LYS 21 21 5084 1 . GLN 22 22 5084 1 . MET 23 23 5084 1 . LEU 24 24 5084 1 . GLY 25 25 5084 1 . GLU 26 26 5084 1 . ARG 27 27 5084 1 . LEU 28 28 5084 1 . PHE 29 29 5084 1 . PRO 30 30 5084 1 . LEU 31 31 5084 1 . ILE 32 32 5084 1 . GLN 33 33 5084 1 . ALA 34 34 5084 1 . MET 35 35 5084 1 . HIS 36 36 5084 1 . PRO 37 37 5084 1 . THR 38 38 5084 1 . LEU 39 39 5084 1 . ALA 40 40 5084 1 . GLY 41 41 5084 1 . LYS 42 42 5084 1 . ILE 43 43 5084 1 . THR 44 44 5084 1 . GLY 45 45 5084 1 . MET 46 46 5084 1 . LEU 47 47 5084 1 . LEU 48 48 5084 1 . GLU 49 49 5084 1 . ILE 50 50 5084 1 . ASP 51 51 5084 1 . ASN 52 52 5084 1 . SER 53 53 5084 1 . GLU 54 54 5084 1 . LEU 55 55 5084 1 . LEU 56 56 5084 1 . HIS 57 57 5084 1 . MET 58 58 5084 1 . LEU 59 59 5084 1 . GLU 60 60 5084 1 . SER 61 61 5084 1 . PRO 62 62 5084 1 . GLU 63 63 5084 1 . SER 64 64 5084 1 . LEU 65 65 5084 1 . ARG 66 66 5084 1 . SER 67 67 5084 1 . LYS 68 68 5084 1 . VAL 69 69 5084 1 . ASP 70 70 5084 1 . GLU 71 71 5084 1 . ALA 72 72 5084 1 . VAL 73 73 5084 1 . ALA 74 74 5084 1 . VAL 75 75 5084 1 . LEU 76 76 5084 1 . GLN 77 77 5084 1 . ALA 78 78 5084 1 . HIS 79 79 5084 1 . GLN 80 80 5084 1 . ALA 81 81 5084 1 . LYS 82 82 5084 1 . GLU 83 83 5084 1 . ALA 84 84 5084 1 . ALA 85 85 5084 1 . GLN 86 86 5084 1 . LYS 87 87 5084 1 . ALA 88 88 5084 1 . VAL 89 89 5084 1 . ASN 90 90 5084 1 . SER 91 91 5084 1 . ALA 92 92 5084 1 . THR 93 93 5084 1 . GLY 94 94 5084 1 . VAL 95 95 5084 1 . PRO 96 96 5084 1 . THR 97 97 5084 1 . VAL 98 98 5084 1 stop_ save_ save_Paip1 _Entity.Sf_category entity _Entity.Sf_framecode Paip1 _Entity.Entry_ID 5084 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'fragment of Paip1' _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 ; VLMSKLSVNAPEFYPSGYSS SY ; _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 22 _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 2426 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT Q9H074 . 'Polyadenylate-binding protein-interacting protein 1 (Poly(A)-binding protein-interacting protein 1) (PABP-interacting protein 1) (PAIP-1)' . . . . . 100.00 479 100.00 100.00 1.26e-03 . . . . 5084 2 . . REF NP_899152 . 'poly(A) binding protein interacting protein 1 isoform 3 [Homo sapiens]' . . . . . 100.00 367 100.00 100.00 5.47e-04 . . . . 5084 2 . . REF NP_877590 . 'poly(A) binding protein interacting protein 1 isoform 2 [Homo sapiens]' . . . . . 100.00 400 100.00 100.00 7.96e-04 . . . . 5084 2 . . REF NP_006442 . 'poly(A) binding protein interacting protein 1 isoform 1 [Homo sapiens]' . . . . . 100.00 479 100.00 100.00 1.26e-03 . . . . 5084 2 . . GenBank ABW03359 . 'poly(A) binding protein interacting protein 1 [synthetic construct]' . . . . . 100.00 479 100.00 100.00 1.25e-03 . . . . 5084 2 . . GenBank ABM82036 . 'poly(A) binding protein interacting protein 1 [synthetic construct]' . . . . . 100.00 479 100.00 100.00 1.25e-03 . . . . 5084 2 . . GenBank AAH15937 . 'Poly(A) binding protein interacting protein 1 [Homo sapiens]' . . . . . 100.00 479 100.00 100.00 1.25e-03 . . . . 5084 2 . . GenBank AAH05295 . 'Poly(A) binding protein interacting protein 1 [Homo sapiens]' . . . . . 100.00 400 100.00 100.00 7.96e-04 . . . . 5084 2 . . GenBank AAC39697 . 'polyadenylate binding protein-interacting protein-1 [Homo sapiens]' . . . . . 100.00 479 100.00 100.00 1.26e-03 . . . . 5084 2 . . EMBL CAB66854 . 'hypothetical protein [Homo sapiens]' . . . . . 100.00 479 100.00 100.00 1.26e-03 . . . . 5084 2 . . PDB 1JH4 . 'Solution Structure Of The C-Terminal Pabc Domain Of Human Poly(A)-Binding Protein In Complex With The Peptide From Paip1' . . . . . 95.45 22 100.00 100.00 1.28e-02 . . . . 5084 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fragment of Paip1' common 5084 2 'Paip1 (126-147)' abbreviation 5084 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 . VAL . 5084 2 2 . LEU . 5084 2 3 . MET . 5084 2 4 . SER . 5084 2 5 . LYS . 5084 2 6 . LEU . 5084 2 7 . SER . 5084 2 8 . VAL . 5084 2 9 . ASN . 5084 2 10 . ALA . 5084 2 11 . PRO . 5084 2 12 . GLU . 5084 2 13 . PHE . 5084 2 14 . TYR . 5084 2 15 . PRO . 5084 2 16 . SER . 5084 2 17 . GLY . 5084 2 18 . TYR . 5084 2 19 . SER . 5084 2 20 . SER . 5084 2 21 . SER . 5084 2 22 . TYR . 5084 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 . VAL 1 1 5084 2 . LEU 2 2 5084 2 . MET 3 3 5084 2 . SER 4 4 5084 2 . LYS 5 5 5084 2 . LEU 6 6 5084 2 . SER 7 7 5084 2 . VAL 8 8 5084 2 . ASN 9 9 5084 2 . ALA 10 10 5084 2 . PRO 11 11 5084 2 . GLU 12 12 5084 2 . PHE 13 13 5084 2 . TYR 14 14 5084 2 . PRO 15 15 5084 2 . SER 16 16 5084 2 . GLY 17 17 5084 2 . TYR 18 18 5084 2 . SER 19 19 5084 2 . SER 20 20 5084 2 . SER 21 21 5084 2 . TYR 22 22 5084 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 5084 _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 $PABC . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5084 1 2 2 $Paip1 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5084 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 5084 _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 $PABC . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5084 1 2 2 $Paip1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5084 _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 'C-terminal domain of PABP' [U-15N] . . 1 $PABC . . 3 . . mM . . . . 5084 1 2 'fragment of Paip1' [U-15N] . . 2 $Paip1 . . 3 . . mM . . . . 5084 1 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5084 1 4 NaCl . . . . . . . 0.1 . . M . . . . 5084 1 5 NaN3 . . . . . . . 1 . . mM . . . . 5084 1 6 H2O . . . . . . . 90 . . % . . . . 5084 1 7 D2O . . . . . . . 10 . . % . . . . 5084 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5084 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal domain of PABP' . . . 1 $PABC . . 3 . . mM . . . . 5084 2 2 'fragment of Paip1' . . . 2 $Paip1 . . 3 . . mM . . . . 5084 2 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5084 2 4 NaCl . . . . . . . 0.1 . . M . . . . 5084 2 5 NaN3 . . . . . . . 1 . . mM . . . . 5084 2 6 H2O . . . . . . . 90 . . % . . . . 5084 2 7 D2O . . . . . . . 10 . . % . . . . 5084 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5084 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal domain of PABP' . . . 1 $PABC . . 3 . . mM . . . . 5084 3 2 'fragment of Paip1' . . . 2 $Paip1 . . 3 . . mM . . . . 5084 3 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5084 3 4 NaCl . . . . . . . 0.1 . . M . . . . 5084 3 5 NaN3 . . . . . . . 1 . . mM . . . . 5084 3 6 D2O . . . . . . . 100 . . % . . . . 5084 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5084 _Sample.ID 4 _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 'C-terminal domain of PABP' . . . 1 $PABC . . 3 . . mM . . . . 5084 4 2 'fragment of Paip1' [U-15N] . . 2 $Paip1 . . 3 . . mM . . . . 5084 4 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5084 4 4 NaCl . . . . . . . 0.1 . . M . . . . 5084 4 5 NaN3 . . . . . . . 1 . . mM . . . . 5084 4 6 H2O . . . . . . . 90 . . % . . . . 5084 4 7 D2O . . . . . . . 10 . . % . . . . 5084 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5084 _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 6.3 0.1 n/a 5084 1 temperature 303 1 K 5084 1 'ionic strength' 0.1 . M 5084 1 pressure 1 . atm 5084 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5084 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.1 _Software.Details 'Bruker Spectrospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5084 1 stop_ save_ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 5084 _Software.ID 2 _Software.Name GIFA _Software.Version 4.31 _Software.Details Delsuc loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5084 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5084 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details Wuthrich loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5084 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5084 _Software.ID 4 _Software.Name ARIA _Software.Version 0.9 _Software.Details Nilges loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5084 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5084 _Software.ID 5 _Software.Name CNS _Software.Version 0.9 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5084 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5084 _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 Bruker DRX . 500 . . . 5084 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 5084 _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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5084 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5084 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5084 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 5084 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated 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_ 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 5084 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 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_ 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 5084 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _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 5084 _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 . direct 1.0 . . . . . . . . . 5084 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5084 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 . 5084 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 LEU N N 15 121.4 0.25 . 1 . . . . . . . . 5084 1 2 . 1 1 3 3 LEU H H 1 8.54 0.01 . 1 . . . . . . . . 5084 1 3 . 1 1 4 4 GLY N N 15 108.6 0.25 . 1 . . . . . . . . 5084 1 4 . 1 1 4 4 GLY H H 1 8.40 0.01 . 1 . . . . . . . . 5084 1 5 . 1 1 5 5 SER N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 6 . 1 1 5 5 SER H H 1 8.22 0.01 . 1 . . . . . . . . 5084 1 7 . 1 1 7 7 LEU N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 8 . 1 1 7 7 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 5084 1 9 . 1 1 7 7 LEU HA H 1 4.59 0.01 . 1 . . . . . . . . 5084 1 10 . 1 1 7 7 LEU HB2 H 1 1.55 0.01 . 2 . . . . . . . . 5084 1 11 . 1 1 7 7 LEU HB3 H 1 1.37 0.01 . 2 . . . . . . . . 5084 1 12 . 1 1 7 7 LEU HD11 H 1 0.91 0.01 . 2 . . . . . . . . 5084 1 13 . 1 1 7 7 LEU HD12 H 1 0.91 0.01 . 2 . . . . . . . . 5084 1 14 . 1 1 7 7 LEU HD13 H 1 0.91 0.01 . 2 . . . . . . . . 5084 1 15 . 1 1 7 7 LEU HD21 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 16 . 1 1 7 7 LEU HD22 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 17 . 1 1 7 7 LEU HD23 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 18 . 1 1 8 8 THR N N 15 113.2 0.25 . 1 . . . . . . . . 5084 1 19 . 1 1 8 8 THR H H 1 7.39 0.01 . 1 . . . . . . . . 5084 1 20 . 1 1 8 8 THR HA H 1 4.67 0.01 . 1 . . . . . . . . 5084 1 21 . 1 1 8 8 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 5084 1 22 . 1 1 8 8 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 5084 1 23 . 1 1 8 8 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 5084 1 24 . 1 1 9 9 ALA N N 15 122.9 0.25 . 1 . . . . . . . . 5084 1 25 . 1 1 9 9 ALA H H 1 9.05 0.01 . 1 . . . . . . . . 5084 1 26 . 1 1 9 9 ALA HA H 1 3.99 0.01 . 1 . . . . . . . . 5084 1 27 . 1 1 9 9 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5084 1 28 . 1 1 9 9 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5084 1 29 . 1 1 9 9 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5084 1 30 . 1 1 10 10 SER N N 15 112.7 0.25 . 1 . . . . . . . . 5084 1 31 . 1 1 10 10 SER H H 1 8.38 0.01 . 1 . . . . . . . . 5084 1 32 . 1 1 10 10 SER HA H 1 3.87 0.01 . 1 . . . . . . . . 5084 1 33 . 1 1 10 10 SER HB2 H 1 4.21 0.01 . 2 . . . . . . . . 5084 1 34 . 1 1 11 11 MET N N 15 121.4 0.25 . 1 . . . . . . . . 5084 1 35 . 1 1 11 11 MET H H 1 7.64 0.01 . 1 . . . . . . . . 5084 1 36 . 1 1 11 11 MET HA H 1 4.12 0.01 . 1 . . . . . . . . 5084 1 37 . 1 1 11 11 MET HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5084 1 38 . 1 1 11 11 MET HB3 H 1 2.14 0.01 . 2 . . . . . . . . 5084 1 39 . 1 1 11 11 MET HG2 H 1 2.60 0.01 . 2 . . . . . . . . 5084 1 40 . 1 1 11 11 MET HG3 H 1 2.54 0.01 . 2 . . . . . . . . 5084 1 41 . 1 1 12 12 LEU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 42 . 1 1 12 12 LEU H H 1 7.75 0.01 . 1 . . . . . . . . 5084 1 43 . 1 1 12 12 LEU HB2 H 1 1.70 0.01 . 2 . . . . . . . . 5084 1 44 . 1 1 12 12 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 5084 1 45 . 1 1 12 12 LEU HD11 H 1 0.93 0.01 . 2 . . . . . . . . 5084 1 46 . 1 1 12 12 LEU HD12 H 1 0.93 0.01 . 2 . . . . . . . . 5084 1 47 . 1 1 12 12 LEU HD13 H 1 0.93 0.01 . 2 . . . . . . . . 5084 1 48 . 1 1 12 12 LEU HD21 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 49 . 1 1 12 12 LEU HD22 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 50 . 1 1 12 12 LEU HD23 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 51 . 1 1 13 13 ALA N N 15 116.3 0.25 . 1 . . . . . . . . 5084 1 52 . 1 1 13 13 ALA H H 1 7.78 0.01 . 1 . . . . . . . . 5084 1 53 . 1 1 13 13 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 5084 1 54 . 1 1 13 13 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 55 . 1 1 13 13 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 56 . 1 1 13 13 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 57 . 1 1 14 14 SER N N 15 110.0 0.25 . 1 . . . . . . . . 5084 1 58 . 1 1 14 14 SER H H 1 7.42 0.01 . 1 . . . . . . . . 5084 1 59 . 1 1 14 14 SER HA H 1 4.41 0.01 . 1 . . . . . . . . 5084 1 60 . 1 1 14 14 SER HB2 H 1 3.95 0.01 . 2 . . . . . . . . 5084 1 61 . 1 1 15 15 ALA N N 15 126.0 0.25 . 1 . . . . . . . . 5084 1 62 . 1 1 15 15 ALA H H 1 7.63 0.01 . 1 . . . . . . . . 5084 1 63 . 1 1 15 15 ALA HA H 1 4.85 0.01 . 1 . . . . . . . . 5084 1 64 . 1 1 15 15 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 5084 1 65 . 1 1 15 15 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5084 1 66 . 1 1 15 15 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 5084 1 67 . 1 1 18 18 GLN N N 15 115.8 0.25 . 1 . . . . . . . . 5084 1 68 . 1 1 18 18 GLN H H 1 9.19 0.01 . 1 . . . . . . . . 5084 1 69 . 1 1 18 18 GLN HA H 1 4.20 0.01 . 1 . . . . . . . . 5084 1 70 . 1 1 18 18 GLN HB2 H 1 2.13 0.01 . 2 . . . . . . . . 5084 1 71 . 1 1 18 18 GLN HB3 H 1 2.03 0.01 . 2 . . . . . . . . 5084 1 72 . 1 1 18 18 GLN HG2 H 1 2.53 0.01 . 2 . . . . . . . . 5084 1 73 . 1 1 18 18 GLN HG3 H 1 2.43 0.01 . 2 . . . . . . . . 5084 1 74 . 1 1 19 19 GLU N N 15 119.9 0.25 . 1 . . . . . . . . 5084 1 75 . 1 1 19 19 GLU H H 1 7.61 0.01 . 1 . . . . . . . . 5084 1 76 . 1 1 19 19 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 5084 1 77 . 1 1 19 19 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5084 1 78 . 1 1 19 19 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5084 1 79 . 1 1 19 19 GLU HG2 H 1 2.33 0.01 . 2 . . . . . . . . 5084 1 80 . 1 1 20 20 GLN N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 81 . 1 1 20 20 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 5084 1 82 . 1 1 20 20 GLN HA H 1 3.94 0.01 . 1 . . . . . . . . 5084 1 83 . 1 1 20 20 GLN HB2 H 1 2.50 0.01 . 2 . . . . . . . . 5084 1 84 . 1 1 20 20 GLN HB3 H 1 2.32 0.01 . 2 . . . . . . . . 5084 1 85 . 1 1 20 20 GLN HG2 H 1 2.61 0.01 . 2 . . . . . . . . 5084 1 86 . 1 1 20 20 GLN HG3 H 1 2.50 0.01 . 2 . . . . . . . . 5084 1 87 . 1 1 20 20 GLN HE21 H 1 6.70 0.01 . 2 . . . . . . . . 5084 1 88 . 1 1 20 20 GLN HE22 H 1 7.57 0.01 . 2 . . . . . . . . 5084 1 89 . 1 1 21 21 LYS N N 15 113.2 0.25 . 1 . . . . . . . . 5084 1 90 . 1 1 21 21 LYS H H 1 7.57 0.01 . 1 . . . . . . . . 5084 1 91 . 1 1 21 21 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 5084 1 92 . 1 1 21 21 LYS HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5084 1 93 . 1 1 21 21 LYS HB3 H 1 1.68 0.01 . 2 . . . . . . . . 5084 1 94 . 1 1 21 21 LYS HG2 H 1 1.85 0.01 . 2 . . . . . . . . 5084 1 95 . 1 1 22 22 GLN N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 96 . 1 1 22 22 GLN H H 1 7.64 0.01 . 1 . . . . . . . . 5084 1 97 . 1 1 22 22 GLN HA H 1 3.96 0.01 . 1 . . . . . . . . 5084 1 98 . 1 1 22 22 GLN HB2 H 1 2.33 0.01 . 2 . . . . . . . . 5084 1 99 . 1 1 22 22 GLN HG2 H 1 2.56 0.01 . 2 . . . . . . . . 5084 1 100 . 1 1 23 23 MET N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 101 . 1 1 23 23 MET H H 1 8.39 0.01 . 1 . . . . . . . . 5084 1 102 . 1 1 23 23 MET HA H 1 4.06 0.01 . 1 . . . . . . . . 5084 1 103 . 1 1 23 23 MET HB2 H 1 2.22 0.01 . 2 . . . . . . . . 5084 1 104 . 1 1 23 23 MET HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5084 1 105 . 1 1 23 23 MET HG2 H 1 2.79 0.01 . 2 . . . . . . . . 5084 1 106 . 1 1 23 23 MET HG3 H 1 2.60 0.01 . 2 . . . . . . . . 5084 1 107 . 1 1 24 24 LEU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 108 . 1 1 24 24 LEU H H 1 7.75 0.01 . 1 . . . . . . . . 5084 1 109 . 1 1 24 24 LEU HA H 1 3.79 0.01 . 1 . . . . . . . . 5084 1 110 . 1 1 24 24 LEU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5084 1 111 . 1 1 24 24 LEU HB3 H 1 1.10 0.01 . 2 . . . . . . . . 5084 1 112 . 1 1 24 24 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 113 . 1 1 24 24 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 114 . 1 1 24 24 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 115 . 1 1 24 24 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 116 . 1 1 24 24 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 117 . 1 1 24 24 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 118 . 1 1 25 25 GLY N N 15 108.6 0.25 . 1 . . . . . . . . 5084 1 119 . 1 1 25 25 GLY H H 1 9.03 0.01 . 1 . . . . . . . . 5084 1 120 . 1 1 25 25 GLY HA2 H 1 2.96 0.01 . 2 . . . . . . . . 5084 1 121 . 1 1 25 25 GLY HA3 H 1 2.60 0.01 . 2 . . . . . . . . 5084 1 122 . 1 1 26 26 GLU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 123 . 1 1 26 26 GLU H H 1 8.52 0.01 . 1 . . . . . . . . 5084 1 124 . 1 1 26 26 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5084 1 125 . 1 1 26 26 GLU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 5084 1 126 . 1 1 27 27 ARG N N 15 114.7 0.25 . 1 . . . . . . . . 5084 1 127 . 1 1 27 27 ARG H H 1 7.18 0.01 . 1 . . . . . . . . 5084 1 128 . 1 1 27 27 ARG HA H 1 4.18 0.01 . 1 . . . . . . . . 5084 1 129 . 1 1 27 27 ARG HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5084 1 130 . 1 1 27 27 ARG HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5084 1 131 . 1 1 27 27 ARG HD2 H 1 3.23 0.01 . 2 . . . . . . . . 5084 1 132 . 1 1 27 27 ARG HD3 H 1 3.19 0.01 . 2 . . . . . . . . 5084 1 133 . 1 1 27 27 ARG HE H 1 7.48 0.01 . 1 . . . . . . . . 5084 1 134 . 1 1 28 28 LEU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 135 . 1 1 28 28 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5084 1 136 . 1 1 28 28 LEU HA H 1 3.85 0.01 . 1 . . . . . . . . 5084 1 137 . 1 1 28 28 LEU HB2 H 1 1.68 0.01 . 2 . . . . . . . . 5084 1 138 . 1 1 28 28 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 139 . 1 1 28 28 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 140 . 1 1 28 28 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 141 . 1 1 29 29 PHE N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 142 . 1 1 29 29 PHE H H 1 8.45 0.01 . 1 . . . . . . . . 5084 1 143 . 1 1 29 29 PHE HA H 1 4.33 0.01 . 1 . . . . . . . . 5084 1 144 . 1 1 29 29 PHE HB2 H 1 3.30 0.01 . 2 . . . . . . . . 5084 1 145 . 1 1 29 29 PHE HB3 H 1 3.18 0.01 . 2 . . . . . . . . 5084 1 146 . 1 1 29 29 PHE HD1 H 1 7.12 0.01 . 3 . . . . . . . . 5084 1 147 . 1 1 29 29 PHE HE1 H 1 7.26 0.01 . 3 . . . . . . . . 5084 1 148 . 1 1 30 30 PRO HA H 1 4.21 0.01 . 1 . . . . . . . . 5084 1 149 . 1 1 31 31 LEU N N 15 115.8 0.25 . 1 . . . . . . . . 5084 1 150 . 1 1 31 31 LEU H H 1 6.81 0.01 . 1 . . . . . . . . 5084 1 151 . 1 1 31 31 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 5084 1 152 . 1 1 31 31 LEU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5084 1 153 . 1 1 31 31 LEU HB3 H 1 1.21 0.01 . 2 . . . . . . . . 5084 1 154 . 1 1 31 31 LEU HG H 1 1.77 0.01 . 1 . . . . . . . . 5084 1 155 . 1 1 31 31 LEU HD11 H 1 0.97 0.01 . 2 . . . . . . . . 5084 1 156 . 1 1 31 31 LEU HD12 H 1 0.97 0.01 . 2 . . . . . . . . 5084 1 157 . 1 1 31 31 LEU HD13 H 1 0.97 0.01 . 2 . . . . . . . . 5084 1 158 . 1 1 31 31 LEU HD21 H 1 0.88 0.01 . 2 . . . . . . . . 5084 1 159 . 1 1 31 31 LEU HD22 H 1 0.88 0.01 . 2 . . . . . . . . 5084 1 160 . 1 1 31 31 LEU HD23 H 1 0.88 0.01 . 2 . . . . . . . . 5084 1 161 . 1 1 32 32 ILE N N 15 119.4 0.25 . 1 . . . . . . . . 5084 1 162 . 1 1 32 32 ILE H H 1 7.89 0.01 . 1 . . . . . . . . 5084 1 163 . 1 1 32 32 ILE HA H 1 3.65 0.01 . 1 . . . . . . . . 5084 1 164 . 1 1 32 32 ILE HB H 1 1.70 0.01 . 1 . . . . . . . . 5084 1 165 . 1 1 32 32 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 166 . 1 1 32 32 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 167 . 1 1 32 32 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 168 . 1 1 32 32 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5084 1 169 . 1 1 32 32 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5084 1 170 . 1 1 32 32 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5084 1 171 . 1 1 33 33 GLN N N 15 122.4 0.25 . 1 . . . . . . . . 5084 1 172 . 1 1 33 33 GLN H H 1 8.94 0.01 . 1 . . . . . . . . 5084 1 173 . 1 1 33 33 GLN HA H 1 3.49 0.01 . 1 . . . . . . . . 5084 1 174 . 1 1 33 33 GLN HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5084 1 175 . 1 1 33 33 GLN HG2 H 1 2.10 0.01 . 2 . . . . . . . . 5084 1 176 . 1 1 34 34 ALA N N 15 115.2 0.25 . 1 . . . . . . . . 5084 1 177 . 1 1 34 34 ALA H H 1 6.81 0.01 . 1 . . . . . . . . 5084 1 178 . 1 1 34 34 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 5084 1 179 . 1 1 34 34 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 5084 1 180 . 1 1 34 34 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5084 1 181 . 1 1 34 34 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5084 1 182 . 1 1 35 35 MET N N 15 114.2 0.25 . 1 . . . . . . . . 5084 1 183 . 1 1 35 35 MET H H 1 7.20 0.01 . 1 . . . . . . . . 5084 1 184 . 1 1 35 35 MET HA H 1 4.18 0.01 . 1 . . . . . . . . 5084 1 185 . 1 1 35 35 MET HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5084 1 186 . 1 1 35 35 MET HB3 H 1 1.86 0.01 . 2 . . . . . . . . 5084 1 187 . 1 1 35 35 MET HG2 H 1 2.76 0.01 . 2 . . . . . . . . 5084 1 188 . 1 1 35 35 MET HG3 H 1 2.50 0.01 . 2 . . . . . . . . 5084 1 189 . 1 1 36 36 HIS N N 15 114.7 0.25 . 1 . . . . . . . . 5084 1 190 . 1 1 36 36 HIS H H 1 8.12 0.01 . 1 . . . . . . . . 5084 1 191 . 1 1 36 36 HIS HA H 1 4.87 0.01 . 1 . . . . . . . . 5084 1 192 . 1 1 36 36 HIS HB2 H 1 2.95 0.01 . 2 . . . . . . . . 5084 1 193 . 1 1 36 36 HIS HB3 H 1 2.50 0.01 . 2 . . . . . . . . 5084 1 194 . 1 1 36 36 HIS HD2 H 1 6.63 0.01 . 1 . . . . . . . . 5084 1 195 . 1 1 36 36 HIS HE1 H 1 7.96 0.01 . 1 . . . . . . . . 5084 1 196 . 1 1 38 38 THR N N 15 108.0 0.25 . 1 . . . . . . . . 5084 1 197 . 1 1 38 38 THR H H 1 8.27 0.01 . 1 . . . . . . . . 5084 1 198 . 1 1 38 38 THR HA H 1 4.43 0.01 . 1 . . . . . . . . 5084 1 199 . 1 1 38 38 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . 5084 1 200 . 1 1 38 38 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . 5084 1 201 . 1 1 38 38 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . 5084 1 202 . 1 1 39 39 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 5084 1 203 . 1 1 39 39 LEU HA H 1 4.79 0.01 . 1 . . . . . . . . 5084 1 204 . 1 1 39 39 LEU HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5084 1 205 . 1 1 39 39 LEU HB3 H 1 1.41 0.01 . 2 . . . . . . . . 5084 1 206 . 1 1 39 39 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 207 . 1 1 39 39 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 208 . 1 1 39 39 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 209 . 1 1 40 40 ALA N N 15 121.4 0.25 . 1 . . . . . . . . 5084 1 210 . 1 1 40 40 ALA H H 1 7.42 0.01 . 1 . . . . . . . . 5084 1 211 . 1 1 40 40 ALA HA H 1 3.81 0.01 . 1 . . . . . . . . 5084 1 212 . 1 1 40 40 ALA HB1 H 1 1.20 0.01 . 1 . . . . . . . . 5084 1 213 . 1 1 40 40 ALA HB2 H 1 1.20 0.01 . 1 . . . . . . . . 5084 1 214 . 1 1 40 40 ALA HB3 H 1 1.20 0.01 . 1 . . . . . . . . 5084 1 215 . 1 1 41 41 GLY N N 15 109.1 0.25 . 1 . . . . . . . . 5084 1 216 . 1 1 41 41 GLY H H 1 9.30 0.01 . 1 . . . . . . . . 5084 1 217 . 1 1 41 41 GLY HA2 H 1 4.39 0.01 . 2 . . . . . . . . 5084 1 218 . 1 1 42 42 LYS N N 15 125.5 0.25 . 1 . . . . . . . . 5084 1 219 . 1 1 42 42 LYS H H 1 8.52 0.01 . 1 . . . . . . . . 5084 1 220 . 1 1 42 42 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 5084 1 221 . 1 1 42 42 LYS HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5084 1 222 . 1 1 42 42 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 5084 1 223 . 1 1 42 42 LYS HG2 H 1 1.74 0.01 . 2 . . . . . . . . 5084 1 224 . 1 1 42 42 LYS HG3 H 1 1.49 0.01 . 2 . . . . . . . . 5084 1 225 . 1 1 43 43 ILE N N 15 117.3 0.25 . 1 . . . . . . . . 5084 1 226 . 1 1 43 43 ILE H H 1 8.67 0.01 . 1 . . . . . . . . 5084 1 227 . 1 1 43 43 ILE HA H 1 3.67 0.01 . 1 . . . . . . . . 5084 1 228 . 1 1 43 43 ILE HB H 1 1.67 0.01 . 1 . . . . . . . . 5084 1 229 . 1 1 43 43 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 230 . 1 1 43 43 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 231 . 1 1 43 43 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 232 . 1 1 43 43 ILE HD11 H 1 0.57 0.01 . 1 . . . . . . . . 5084 1 233 . 1 1 43 43 ILE HD12 H 1 0.57 0.01 . 1 . . . . . . . . 5084 1 234 . 1 1 43 43 ILE HD13 H 1 0.57 0.01 . 1 . . . . . . . . 5084 1 235 . 1 1 44 44 THR N N 15 114.7 0.25 . 1 . . . . . . . . 5084 1 236 . 1 1 44 44 THR H H 1 8.44 0.01 . 1 . . . . . . . . 5084 1 237 . 1 1 44 44 THR HA H 1 4.64 0.01 . 1 . . . . . . . . 5084 1 238 . 1 1 44 44 THR HB H 1 3.58 0.01 . 1 . . . . . . . . 5084 1 239 . 1 1 44 44 THR HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5084 1 240 . 1 1 44 44 THR HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5084 1 241 . 1 1 44 44 THR HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5084 1 242 . 1 1 45 45 GLY N N 15 106.0 0.25 . 1 . . . . . . . . 5084 1 243 . 1 1 45 45 GLY H H 1 7.86 0.01 . 1 . . . . . . . . 5084 1 244 . 1 1 45 45 GLY HA2 H 1 4.53 0.01 . 2 . . . . . . . . 5084 1 245 . 1 1 45 45 GLY HA3 H 1 3.69 0.01 . 2 . . . . . . . . 5084 1 246 . 1 1 46 46 MET H H 1 8.17 0.01 . 1 . . . . . . . . 5084 1 247 . 1 1 46 46 MET HA H 1 3.97 0.01 . 1 . . . . . . . . 5084 1 248 . 1 1 46 46 MET HB2 H 1 2.27 0.01 . 2 . . . . . . . . 5084 1 249 . 1 1 46 46 MET HB3 H 1 2.00 0.01 . 2 . . . . . . . . 5084 1 250 . 1 1 46 46 MET HG2 H 1 2.71 0.01 . 2 . . . . . . . . 5084 1 251 . 1 1 46 46 MET HG3 H 1 2.52 0.01 . 2 . . . . . . . . 5084 1 252 . 1 1 47 47 LEU N N 15 118.8 0.25 . 1 . . . . . . . . 5084 1 253 . 1 1 47 47 LEU H H 1 8.32 0.01 . 1 . . . . . . . . 5084 1 254 . 1 1 47 47 LEU HA H 1 3.93 0.01 . 1 . . . . . . . . 5084 1 255 . 1 1 47 47 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5084 1 256 . 1 1 47 47 LEU HB3 H 1 1.53 0.01 . 2 . . . . . . . . 5084 1 257 . 1 1 47 47 LEU HG H 1 1.90 0.01 . 1 . . . . . . . . 5084 1 258 . 1 1 47 47 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 259 . 1 1 47 47 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 260 . 1 1 47 47 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 261 . 1 1 47 47 LEU HD21 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 262 . 1 1 47 47 LEU HD22 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 263 . 1 1 47 47 LEU HD23 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 264 . 1 1 48 48 LEU N N 15 114.8 0.25 . 1 . . . . . . . . 5084 1 265 . 1 1 48 48 LEU H H 1 7.94 0.01 . 1 . . . . . . . . 5084 1 266 . 1 1 48 48 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 5084 1 267 . 1 1 48 48 LEU HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5084 1 268 . 1 1 48 48 LEU HD11 H 1 0.60 0.01 . 2 . . . . . . . . 5084 1 269 . 1 1 48 48 LEU HD12 H 1 0.60 0.01 . 2 . . . . . . . . 5084 1 270 . 1 1 48 48 LEU HD13 H 1 0.60 0.01 . 2 . . . . . . . . 5084 1 271 . 1 1 48 48 LEU HD21 H 1 0.46 0.01 . 2 . . . . . . . . 5084 1 272 . 1 1 48 48 LEU HD22 H 1 0.46 0.01 . 2 . . . . . . . . 5084 1 273 . 1 1 48 48 LEU HD23 H 1 0.46 0.01 . 2 . . . . . . . . 5084 1 274 . 1 1 49 49 GLU N N 15 114.7 0.25 . 1 . . . . . . . . 5084 1 275 . 1 1 49 49 GLU H H 1 7.19 0.01 . 1 . . . . . . . . 5084 1 276 . 1 1 49 49 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 5084 1 277 . 1 1 49 49 GLU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5084 1 278 . 1 1 49 49 GLU HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5084 1 279 . 1 1 49 49 GLU HG2 H 1 2.63 0.01 . 2 . . . . . . . . 5084 1 280 . 1 1 50 50 ILE N N 15 119.4 0.25 . 1 . . . . . . . . 5084 1 281 . 1 1 50 50 ILE H H 1 7.81 0.01 . 1 . . . . . . . . 5084 1 282 . 1 1 50 50 ILE HA H 1 3.97 0.01 . 1 . . . . . . . . 5084 1 283 . 1 1 50 50 ILE HB H 1 2.14 0.01 . 1 . . . . . . . . 5084 1 284 . 1 1 50 50 ILE HG21 H 1 1.00 0.01 . 1 . . . . . . . . 5084 1 285 . 1 1 50 50 ILE HG22 H 1 1.00 0.01 . 1 . . . . . . . . 5084 1 286 . 1 1 50 50 ILE HG23 H 1 1.00 0.01 . 1 . . . . . . . . 5084 1 287 . 1 1 50 50 ILE HG12 H 1 1.63 0.01 . 2 . . . . . . . . 5084 1 288 . 1 1 50 50 ILE HG13 H 1 1.51 0.01 . 2 . . . . . . . . 5084 1 289 . 1 1 50 50 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 5084 1 290 . 1 1 50 50 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 5084 1 291 . 1 1 50 50 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 5084 1 292 . 1 1 51 51 ASP N N 15 117.8 0.25 . 1 . . . . . . . . 5084 1 293 . 1 1 51 51 ASP H H 1 7.80 0.01 . 1 . . . . . . . . 5084 1 294 . 1 1 51 51 ASP HA H 1 4.27 0.01 . 1 . . . . . . . . 5084 1 295 . 1 1 51 51 ASP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 5084 1 296 . 1 1 51 51 ASP HB3 H 1 2.65 0.01 . 2 . . . . . . . . 5084 1 297 . 1 1 52 52 ASN N N 15 122.4 0.25 . 1 . . . . . . . . 5084 1 298 . 1 1 52 52 ASN H H 1 8.69 0.01 . 1 . . . . . . . . 5084 1 299 . 1 1 52 52 ASN HA H 1 4.29 0.01 . 1 . . . . . . . . 5084 1 300 . 1 1 52 52 ASN HB2 H 1 2.90 0.01 . 2 . . . . . . . . 5084 1 301 . 1 1 52 52 ASN HB3 H 1 2.55 0.01 . 2 . . . . . . . . 5084 1 302 . 1 1 52 52 ASN HD21 H 1 7.32 0.01 . 2 . . . . . . . . 5084 1 303 . 1 1 52 52 ASN HD22 H 1 6.51 0.01 . 2 . . . . . . . . 5084 1 304 . 1 1 53 53 SER N N 15 114.2 0.25 . 1 . . . . . . . . 5084 1 305 . 1 1 53 53 SER H H 1 8.63 0.01 . 1 . . . . . . . . 5084 1 306 . 1 1 53 53 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 5084 1 307 . 1 1 53 53 SER HB2 H 1 3.93 0.01 . 2 . . . . . . . . 5084 1 308 . 1 1 54 54 GLU N N 15 123.5 0.25 . 1 . . . . . . . . 5084 1 309 . 1 1 54 54 GLU H H 1 7.41 0.01 . 1 . . . . . . . . 5084 1 310 . 1 1 54 54 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 5084 1 311 . 1 1 54 54 GLU HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5084 1 312 . 1 1 54 54 GLU HB3 H 1 2.10 0.01 . 2 . . . . . . . . 5084 1 313 . 1 1 54 54 GLU HG2 H 1 2.35 0.01 . 2 . . . . . . . . 5084 1 314 . 1 1 54 54 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 5084 1 315 . 1 1 55 55 LEU N N 15 120.3 0.25 . 1 . . . . . . . . 5084 1 316 . 1 1 55 55 LEU H H 1 7.81 0.01 . 1 . . . . . . . . 5084 1 317 . 1 1 55 55 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 5084 1 318 . 1 1 55 55 LEU HB2 H 1 2.14 0.01 . 2 . . . . . . . . 5084 1 319 . 1 1 55 55 LEU HB3 H 1 1.11 0.01 . 2 . . . . . . . . 5084 1 320 . 1 1 55 55 LEU HG H 1 1.69 0.01 . 1 . . . . . . . . 5084 1 321 . 1 1 55 55 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 322 . 1 1 55 55 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 323 . 1 1 55 55 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 324 . 1 1 55 55 LEU HD21 H 1 0.74 0.01 . 2 . . . . . . . . 5084 1 325 . 1 1 55 55 LEU HD22 H 1 0.74 0.01 . 2 . . . . . . . . 5084 1 326 . 1 1 55 55 LEU HD23 H 1 0.74 0.01 . 2 . . . . . . . . 5084 1 327 . 1 1 56 56 LEU N N 15 117.3 0.25 . 1 . . . . . . . . 5084 1 328 . 1 1 56 56 LEU H H 1 8.39 0.01 . 1 . . . . . . . . 5084 1 329 . 1 1 56 56 LEU HA H 1 3.93 0.01 . 1 . . . . . . . . 5084 1 330 . 1 1 56 56 LEU HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5084 1 331 . 1 1 56 56 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 332 . 1 1 56 56 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 333 . 1 1 56 56 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 334 . 1 1 57 57 HIS N N 15 115.8 0.25 . 1 . . . . . . . . 5084 1 335 . 1 1 57 57 HIS H H 1 7.45 0.01 . 1 . . . . . . . . 5084 1 336 . 1 1 57 57 HIS HA H 1 4.54 0.01 . 1 . . . . . . . . 5084 1 337 . 1 1 57 57 HIS HB2 H 1 3.51 0.01 . 2 . . . . . . . . 5084 1 338 . 1 1 57 57 HIS HB3 H 1 3.34 0.01 . 2 . . . . . . . . 5084 1 339 . 1 1 57 57 HIS HD2 H 1 7.35 0.01 . 1 . . . . . . . . 5084 1 340 . 1 1 58 58 MET N N 15 118.4 0.25 . 1 . . . . . . . . 5084 1 341 . 1 1 58 58 MET H H 1 8.28 0.01 . 1 . . . . . . . . 5084 1 342 . 1 1 58 58 MET HA H 1 3.85 0.01 . 1 . . . . . . . . 5084 1 343 . 1 1 58 58 MET HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5084 1 344 . 1 1 58 58 MET HG2 H 1 2.74 0.01 . 2 . . . . . . . . 5084 1 345 . 1 1 59 59 LEU N N 15 115.2 0.25 . 1 . . . . . . . . 5084 1 346 . 1 1 59 59 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 5084 1 347 . 1 1 59 59 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 5084 1 348 . 1 1 59 59 LEU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5084 1 349 . 1 1 59 59 LEU HB3 H 1 1.54 0.01 . 2 . . . . . . . . 5084 1 350 . 1 1 59 59 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . 5084 1 351 . 1 1 59 59 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . 5084 1 352 . 1 1 59 59 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . 5084 1 353 . 1 1 59 59 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 354 . 1 1 59 59 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 355 . 1 1 59 59 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 356 . 1 1 60 60 GLU N N 15 115.7 0.25 . 1 . . . . . . . . 5084 1 357 . 1 1 60 60 GLU H H 1 7.28 0.01 . 1 . . . . . . . . 5084 1 358 . 1 1 60 60 GLU HA H 1 4.43 0.01 . 1 . . . . . . . . 5084 1 359 . 1 1 60 60 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 5084 1 360 . 1 1 60 60 GLU HG2 H 1 2.37 0.01 . 2 . . . . . . . . 5084 1 361 . 1 1 61 61 SER N N 15 113.2 0.25 . 1 . . . . . . . . 5084 1 362 . 1 1 61 61 SER H H 1 7.35 0.01 . 1 . . . . . . . . 5084 1 363 . 1 1 61 61 SER HA H 1 5.05 0.01 . 1 . . . . . . . . 5084 1 364 . 1 1 61 61 SER HB2 H 1 3.57 0.01 . 2 . . . . . . . . 5084 1 365 . 1 1 61 61 SER HB3 H 1 3.45 0.01 . 2 . . . . . . . . 5084 1 366 . 1 1 63 63 GLU N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 367 . 1 1 63 63 GLU H H 1 9.01 0.01 . 1 . . . . . . . . 5084 1 368 . 1 1 63 63 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 5084 1 369 . 1 1 63 63 GLU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5084 1 370 . 1 1 63 63 GLU HB3 H 1 1.96 0.01 . 2 . . . . . . . . 5084 1 371 . 1 1 63 63 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 5084 1 372 . 1 1 63 63 GLU HG3 H 1 2.35 0.01 . 2 . . . . . . . . 5084 1 373 . 1 1 64 64 SER N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 374 . 1 1 64 64 SER H H 1 7.82 0.01 . 1 . . . . . . . . 5084 1 375 . 1 1 64 64 SER HA H 1 4.37 0.01 . 1 . . . . . . . . 5084 1 376 . 1 1 64 64 SER HB2 H 1 3.96 0.01 . 2 . . . . . . . . 5084 1 377 . 1 1 65 65 LEU N N 15 122.4 0.25 . 1 . . . . . . . . 5084 1 378 . 1 1 65 65 LEU H H 1 7.92 0.01 . 1 . . . . . . . . 5084 1 379 . 1 1 65 65 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 5084 1 380 . 1 1 65 65 LEU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5084 1 381 . 1 1 65 65 LEU HB3 H 1 1.78 0.01 . 2 . . . . . . . . 5084 1 382 . 1 1 65 65 LEU HD11 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 383 . 1 1 65 65 LEU HD12 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 384 . 1 1 65 65 LEU HD13 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 385 . 1 1 66 66 ARG N N 15 117.2 0.25 . 1 . . . . . . . . 5084 1 386 . 1 1 66 66 ARG H H 1 8.38 0.01 . 1 . . . . . . . . 5084 1 387 . 1 1 66 66 ARG HA H 1 3.79 0.01 . 1 . . . . . . . . 5084 1 388 . 1 1 66 66 ARG HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5084 1 389 . 1 1 66 66 ARG HG2 H 1 1.73 0.01 . 2 . . . . . . . . 5084 1 390 . 1 1 66 66 ARG HD2 H 1 3.27 0.01 . 2 . . . . . . . . 5084 1 391 . 1 1 67 67 SER N N 15 111.1 0.25 . 1 . . . . . . . . 5084 1 392 . 1 1 67 67 SER H H 1 7.75 0.01 . 1 . . . . . . . . 5084 1 393 . 1 1 67 67 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 5084 1 394 . 1 1 67 67 SER HB2 H 1 4.04 0.01 . 2 . . . . . . . . 5084 1 395 . 1 1 68 68 LYS N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 396 . 1 1 68 68 LYS H H 1 7.59 0.01 . 1 . . . . . . . . 5084 1 397 . 1 1 68 68 LYS HA H 1 4.26 0.01 . 1 . . . . . . . . 5084 1 398 . 1 1 68 68 LYS HB2 H 1 2.07 0.01 . 2 . . . . . . . . 5084 1 399 . 1 1 68 68 LYS HB3 H 1 1.86 0.01 . 2 . . . . . . . . 5084 1 400 . 1 1 68 68 LYS HG2 H 1 1.60 0.01 . 2 . . . . . . . . 5084 1 401 . 1 1 69 69 VAL N N 15 120.9 0.25 . 1 . . . . . . . . 5084 1 402 . 1 1 69 69 VAL H H 1 8.75 0.01 . 1 . . . . . . . . 5084 1 403 . 1 1 69 69 VAL HA H 1 3.51 0.01 . 1 . . . . . . . . 5084 1 404 . 1 1 69 69 VAL HB H 1 2.30 0.01 . 1 . . . . . . . . 5084 1 405 . 1 1 69 69 VAL HG11 H 1 1.11 0.01 . 2 . . . . . . . . 5084 1 406 . 1 1 69 69 VAL HG12 H 1 1.11 0.01 . 2 . . . . . . . . 5084 1 407 . 1 1 69 69 VAL HG13 H 1 1.11 0.01 . 2 . . . . . . . . 5084 1 408 . 1 1 69 69 VAL HG21 H 1 1.02 0.01 . 2 . . . . . . . . 5084 1 409 . 1 1 69 69 VAL HG22 H 1 1.02 0.01 . 2 . . . . . . . . 5084 1 410 . 1 1 69 69 VAL HG23 H 1 1.02 0.01 . 2 . . . . . . . . 5084 1 411 . 1 1 70 70 ASP N N 15 118.8 0.25 . 1 . . . . . . . . 5084 1 412 . 1 1 70 70 ASP H H 1 8.66 0.01 . 1 . . . . . . . . 5084 1 413 . 1 1 70 70 ASP HA H 1 4.37 0.01 . 1 . . . . . . . . 5084 1 414 . 1 1 70 70 ASP HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5084 1 415 . 1 1 70 70 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5084 1 416 . 1 1 71 71 GLU N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 417 . 1 1 71 71 GLU H H 1 7.67 0.01 . 1 . . . . . . . . 5084 1 418 . 1 1 71 71 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 5084 1 419 . 1 1 71 71 GLU HB2 H 1 2.21 0.01 . 2 . . . . . . . . 5084 1 420 . 1 1 71 71 GLU HG2 H 1 2.48 0.01 . 2 . . . . . . . . 5084 1 421 . 1 1 71 71 GLU HG3 H 1 2.11 0.01 . 2 . . . . . . . . 5084 1 422 . 1 1 72 72 ALA N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 423 . 1 1 72 72 ALA H H 1 8.25 0.01 . 1 . . . . . . . . 5084 1 424 . 1 1 72 72 ALA HA H 1 3.84 0.01 . 1 . . . . . . . . 5084 1 425 . 1 1 72 72 ALA HB1 H 1 1.58 0.01 . 1 . . . . . . . . 5084 1 426 . 1 1 72 72 ALA HB2 H 1 1.58 0.01 . 1 . . . . . . . . 5084 1 427 . 1 1 72 72 ALA HB3 H 1 1.58 0.01 . 1 . . . . . . . . 5084 1 428 . 1 1 73 73 VAL N N 15 117.3 0.25 . 1 . . . . . . . . 5084 1 429 . 1 1 73 73 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 5084 1 430 . 1 1 73 73 VAL HA H 1 3.30 0.01 . 1 . . . . . . . . 5084 1 431 . 1 1 73 73 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 5084 1 432 . 1 1 73 73 VAL HG11 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 433 . 1 1 73 73 VAL HG12 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 434 . 1 1 73 73 VAL HG13 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 435 . 1 1 73 73 VAL HG21 H 1 0.54 0.01 . 2 . . . . . . . . 5084 1 436 . 1 1 73 73 VAL HG22 H 1 0.54 0.01 . 2 . . . . . . . . 5084 1 437 . 1 1 73 73 VAL HG23 H 1 0.54 0.01 . 2 . . . . . . . . 5084 1 438 . 1 1 74 74 ALA N N 15 122.1 0.25 . 1 . . . . . . . . 5084 1 439 . 1 1 74 74 ALA H H 1 7.57 0.01 . 1 . . . . . . . . 5084 1 440 . 1 1 74 74 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 5084 1 441 . 1 1 74 74 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 5084 1 442 . 1 1 74 74 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5084 1 443 . 1 1 74 74 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 5084 1 444 . 1 1 75 75 VAL N N 15 120.9 0.25 . 1 . . . . . . . . 5084 1 445 . 1 1 75 75 VAL H H 1 8.33 0.01 . 1 . . . . . . . . 5084 1 446 . 1 1 75 75 VAL HA H 1 3.73 0.01 . 1 . . . . . . . . 5084 1 447 . 1 1 75 75 VAL HB H 1 2.23 0.01 . 1 . . . . . . . . 5084 1 448 . 1 1 75 75 VAL HG11 H 1 1.10 0.01 . 2 . . . . . . . . 5084 1 449 . 1 1 75 75 VAL HG12 H 1 1.10 0.01 . 2 . . . . . . . . 5084 1 450 . 1 1 75 75 VAL HG13 H 1 1.10 0.01 . 2 . . . . . . . . 5084 1 451 . 1 1 75 75 VAL HG21 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 452 . 1 1 75 75 VAL HG22 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 453 . 1 1 75 75 VAL HG23 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 454 . 1 1 76 76 LEU N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 455 . 1 1 76 76 LEU H H 1 7.97 0.01 . 1 . . . . . . . . 5084 1 456 . 1 1 76 76 LEU HA H 1 3.90 0.01 . 1 . . . . . . . . 5084 1 457 . 1 1 76 76 LEU HB2 H 1 2.11 0.01 . 2 . . . . . . . . 5084 1 458 . 1 1 76 76 LEU HB3 H 1 1.63 0.01 . 2 . . . . . . . . 5084 1 459 . 1 1 76 76 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 460 . 1 1 76 76 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 461 . 1 1 76 76 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 462 . 1 1 77 77 GLN N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 463 . 1 1 77 77 GLN H H 1 8.62 0.01 . 1 . . . . . . . . 5084 1 464 . 1 1 77 77 GLN HA H 1 4.13 0.01 . 1 . . . . . . . . 5084 1 465 . 1 1 77 77 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . 5084 1 466 . 1 1 77 77 GLN HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5084 1 467 . 1 1 77 77 GLN HG2 H 1 2.63 0.01 . 2 . . . . . . . . 5084 1 468 . 1 1 77 77 GLN HG3 H 1 2.36 0.01 . 2 . . . . . . . . 5084 1 469 . 1 1 78 78 ALA N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 470 . 1 1 78 78 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 5084 1 471 . 1 1 78 78 ALA HA H 1 4.26 0.01 . 1 . . . . . . . . 5084 1 472 . 1 1 78 78 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5084 1 473 . 1 1 78 78 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5084 1 474 . 1 1 78 78 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5084 1 475 . 1 1 79 79 HIS N N 15 118.4 0.25 . 1 . . . . . . . . 5084 1 476 . 1 1 79 79 HIS H H 1 8.17 0.01 . 1 . . . . . . . . 5084 1 477 . 1 1 79 79 HIS HA H 1 4.50 0.01 . 1 . . . . . . . . 5084 1 478 . 1 1 79 79 HIS HB2 H 1 3.34 0.01 . 2 . . . . . . . . 5084 1 479 . 1 1 79 79 HIS HB3 H 1 3.24 0.01 . 2 . . . . . . . . 5084 1 480 . 1 1 79 79 HIS HD2 H 1 7.18 0.01 . 1 . . . . . . . . 5084 1 481 . 1 1 81 81 ALA H H 1 8.01 0.01 . 1 . . . . . . . . 5084 1 482 . 1 1 81 81 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 5084 1 483 . 1 1 81 81 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 484 . 1 1 81 81 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 485 . 1 1 81 81 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 486 . 1 1 82 82 LYS N N 15 119.6 0.25 . 1 . . . . . . . . 5084 1 487 . 1 1 82 82 LYS H H 1 7.91 0.01 . 1 . . . . . . . . 5084 1 488 . 1 1 82 82 LYS HA H 1 4.16 0.01 . 1 . . . . . . . . 5084 1 489 . 1 1 82 82 LYS HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5084 1 490 . 1 1 82 82 LYS HG2 H 1 2.22 0.01 . 2 . . . . . . . . 5084 1 491 . 1 1 84 84 ALA N N 15 122.0 0.25 . 1 . . . . . . . . 5084 1 492 . 1 1 84 84 ALA H H 1 8.14 0.01 . 1 . . . . . . . . 5084 1 493 . 1 1 85 85 ALA N N 15 120.4 0.25 . 1 . . . . . . . . 5084 1 494 . 1 1 85 85 ALA H H 1 7.98 0.01 . 1 . . . . . . . . 5084 1 495 . 1 1 86 86 GLN N N 15 117.5 0.25 . 1 . . . . . . . . 5084 1 496 . 1 1 86 86 GLN H H 1 8.04 0.01 . 1 . . . . . . . . 5084 1 497 . 1 1 87 87 LYS N N 15 120.4 0.25 . 1 . . . . . . . . 5084 1 498 . 1 1 87 87 LYS H H 1 8.09 0.01 . 1 . . . . . . . . 5084 1 499 . 1 1 88 88 ALA N N 15 123.5 0.25 . 1 . . . . . . . . 5084 1 500 . 1 1 88 88 ALA H H 1 8.10 0.01 . 1 . . . . . . . . 5084 1 501 . 1 1 89 89 VAL N N 15 118.0 0.25 . 1 . . . . . . . . 5084 1 502 . 1 1 89 89 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 5084 1 503 . 1 1 90 90 ASN N N 15 121.3 0.25 . 1 . . . . . . . . 5084 1 504 . 1 1 90 90 ASN H H 1 8.45 0.01 . 1 . . . . . . . . 5084 1 505 . 1 1 91 91 SER N N 15 116.0 0.25 . 1 . . . . . . . . 5084 1 506 . 1 1 91 91 SER H H 1 8.32 0.01 . 1 . . . . . . . . 5084 1 507 . 1 1 92 92 ALA N N 15 125.4 0.25 . 1 . . . . . . . . 5084 1 508 . 1 1 92 92 ALA H H 1 8.40 0.01 . 1 . . . . . . . . 5084 1 509 . 1 1 93 93 THR N N 15 111.1 0.25 . 1 . . . . . . . . 5084 1 510 . 1 1 93 93 THR H H 1 8.10 0.01 . 1 . . . . . . . . 5084 1 511 . 1 1 94 94 GLY N N 15 110.6 0.25 . 1 . . . . . . . . 5084 1 512 . 1 1 94 94 GLY H H 1 8.34 0.01 . 1 . . . . . . . . 5084 1 513 . 1 1 95 95 VAL N N 15 119.9 0.25 . 1 . . . . . . . . 5084 1 514 . 1 1 95 95 VAL H H 1 7.98 0.01 . 1 . . . . . . . . 5084 1 515 . 1 1 97 97 THR N N 15 115.2 0.25 . 1 . . . . . . . . 5084 1 516 . 1 1 97 97 THR H H 1 8.37 0.01 . 1 . . . . . . . . 5084 1 517 . 1 1 98 98 VAL N N 15 125.6 0.25 . 1 . . . . . . . . 5084 1 518 . 1 1 98 98 VAL H H 1 7.78 0.01 . 1 . . . . . . . . 5084 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5084 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 . 5084 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 4 4 SER N N 15 114.8 0.25 . 1 . . . . . . . . 5084 2 2 . 2 2 4 4 SER H H 1 8.37 0.01 . 1 . . . . . . . . 5084 2 3 . 2 2 5 5 LYS N N 15 124.0 0.25 . 1 . . . . . . . . 5084 2 4 . 2 2 5 5 LYS H H 1 8.80 0.01 . 1 . . . . . . . . 5084 2 5 . 2 2 5 5 LYS HA H 1 4.39 0.01 . 1 . . . . . . . . 5084 2 6 . 2 2 5 5 LYS HB2 H 1 1.67 0.01 . 2 . . . . . . . . 5084 2 7 . 2 2 5 5 LYS HG2 H 1 1.94 0.01 . 2 . . . . . . . . 5084 2 8 . 2 2 5 5 LYS HG3 H 1 1.47 0.01 . 2 . . . . . . . . 5084 2 9 . 2 2 6 6 LEU N N 15 120.9 0.25 . 1 . . . . . . . . 5084 2 10 . 2 2 6 6 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5084 2 11 . 2 2 6 6 LEU HA H 1 4.45 0.01 . 1 . . . . . . . . 5084 2 12 . 2 2 6 6 LEU HB2 H 1 1.74 0.01 . 2 . . . . . . . . 5084 2 13 . 2 2 6 6 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 5084 2 14 . 2 2 6 6 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 5084 2 15 . 2 2 6 6 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 5084 2 16 . 2 2 7 7 SER N N 15 114.7 0.25 . 1 . . . . . . . . 5084 2 17 . 2 2 7 7 SER H H 1 9.03 0.01 . 1 . . . . . . . . 5084 2 18 . 2 2 7 7 SER HB2 H 1 3.91 0.01 . 2 . . . . . . . . 5084 2 19 . 2 2 8 8 VAL N N 15 121.4 0.25 . 1 . . . . . . . . 5084 2 20 . 2 2 8 8 VAL H H 1 8.52 0.01 . 1 . . . . . . . . 5084 2 21 . 2 2 8 8 VAL HA H 1 3.93 0.01 . 1 . . . . . . . . 5084 2 22 . 2 2 8 8 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5084 2 23 . 2 2 8 8 VAL HG11 H 1 0.70 0.01 . 2 . . . . . . . . 5084 2 24 . 2 2 8 8 VAL HG12 H 1 0.70 0.01 . 2 . . . . . . . . 5084 2 25 . 2 2 8 8 VAL HG13 H 1 0.70 0.01 . 2 . . . . . . . . 5084 2 26 . 2 2 8 8 VAL HG21 H 1 0.46 0.01 . 2 . . . . . . . . 5084 2 27 . 2 2 8 8 VAL HG22 H 1 0.46 0.01 . 2 . . . . . . . . 5084 2 28 . 2 2 8 8 VAL HG23 H 1 0.46 0.01 . 2 . . . . . . . . 5084 2 29 . 2 2 9 9 ASN N N 15 117.3 0.25 . 1 . . . . . . . . 5084 2 30 . 2 2 9 9 ASN H H 1 7.94 0.01 . 1 . . . . . . . . 5084 2 31 . 2 2 9 9 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 5084 2 32 . 2 2 9 9 ASN HB2 H 1 2.89 0.01 . 2 . . . . . . . . 5084 2 33 . 2 2 9 9 ASN HB3 H 1 2.44 0.01 . 2 . . . . . . . . 5084 2 34 . 2 2 10 10 ALA N N 15 125.0 0.25 . 1 . . . . . . . . 5084 2 35 . 2 2 10 10 ALA H H 1 7.12 0.01 . 1 . . . . . . . . 5084 2 36 . 2 2 10 10 ALA HA H 1 4.33 0.01 . 1 . . . . . . . . 5084 2 37 . 2 2 10 10 ALA HB1 H 1 1.26 0.01 . 1 . . . . . . . . 5084 2 38 . 2 2 10 10 ALA HB2 H 1 1.26 0.01 . 1 . . . . . . . . 5084 2 39 . 2 2 10 10 ALA HB3 H 1 1.26 0.01 . 1 . . . . . . . . 5084 2 40 . 2 2 12 12 GLU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 2 41 . 2 2 12 12 GLU H H 1 8.44 0.01 . 1 . . . . . . . . 5084 2 42 . 2 2 12 12 GLU HA H 1 3.89 0.01 . 1 . . . . . . . . 5084 2 43 . 2 2 12 12 GLU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5084 2 44 . 2 2 13 13 PHE N N 15 122.4 0.25 . 1 . . . . . . . . 5084 2 45 . 2 2 13 13 PHE HA H 1 4.42 0.01 . 1 . . . . . . . . 5084 2 46 . 2 2 13 13 PHE HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5084 2 47 . 2 2 13 13 PHE HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5084 2 48 . 2 2 13 13 PHE HD1 H 1 6.89 0.01 . 3 . . . . . . . . 5084 2 49 . 2 2 13 13 PHE HE1 H 1 6.95 0.01 . 3 . . . . . . . . 5084 2 50 . 2 2 13 13 PHE HZ H 1 7.18 0.01 . 1 . . . . . . . . 5084 2 51 . 2 2 14 14 TYR N N 15 121.4 0.25 . 1 . . . . . . . . 5084 2 52 . 2 2 14 14 TYR H H 1 7.04 0.01 . 1 . . . . . . . . 5084 2 53 . 2 2 14 14 TYR HA H 1 4.07 0.01 . 1 . . . . . . . . 5084 2 54 . 2 2 14 14 TYR HB2 H 1 2.32 0.01 . 2 . . . . . . . . 5084 2 55 . 2 2 14 14 TYR HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5084 2 56 . 2 2 14 14 TYR HD1 H 1 6.64 0.01 . 3 . . . . . . . . 5084 2 57 . 2 2 14 14 TYR HE1 H 1 6.77 0.01 . 3 . . . . . . . . 5084 2 58 . 2 2 15 15 PRO HA H 1 4.08 0.01 . 1 . . . . . . . . 5084 2 59 . 2 2 16 16 SER N N 15 117.8 0.25 . 1 . . . . . . . . 5084 2 60 . 2 2 16 16 SER H H 1 9.35 0.01 . 1 . . . . . . . . 5084 2 61 . 2 2 16 16 SER HA H 1 4.17 0.01 . 1 . . . . . . . . 5084 2 62 . 2 2 16 16 SER HB2 H 1 3.84 0.01 . 2 . . . . . . . . 5084 2 63 . 2 2 17 17 GLY N N 15 111.6 0.25 . 1 . . . . . . . . 5084 2 64 . 2 2 17 17 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 5084 2 65 . 2 2 17 17 GLY HA2 H 1 3.98 0.01 . 2 . . . . . . . . 5084 2 66 . 2 2 17 17 GLY HA3 H 1 3.82 0.01 . 2 . . . . . . . . 5084 2 67 . 2 2 18 18 TYR N N 15 120.4 0.25 . 1 . . . . . . . . 5084 2 68 . 2 2 18 18 TYR H H 1 7.77 0.01 . 1 . . . . . . . . 5084 2 69 . 2 2 18 18 TYR HA H 1 4.36 0.01 . 1 . . . . . . . . 5084 2 70 . 2 2 18 18 TYR HB2 H 1 2.93 0.01 . 2 . . . . . . . . 5084 2 71 . 2 2 18 18 TYR HB3 H 1 2.83 0.01 . 2 . . . . . . . . 5084 2 72 . 2 2 18 18 TYR HD1 H 1 6.96 0.01 . 3 . . . . . . . . 5084 2 73 . 2 2 18 18 TYR HE1 H 1 6.80 0.01 . 3 . . . . . . . . 5084 2 74 . 2 2 19 19 SER N N 15 117.8 0.25 . 1 . . . . . . . . 5084 2 75 . 2 2 19 19 SER H H 1 7.97 0.01 . 1 . . . . . . . . 5084 2 76 . 2 2 19 19 SER HA H 1 4.26 0.01 . 1 . . . . . . . . 5084 2 77 . 2 2 19 19 SER HB2 H 1 3.72 0.01 . 2 . . . . . . . . 5084 2 78 . 2 2 19 19 SER HB3 H 1 3.66 0.01 . 2 . . . . . . . . 5084 2 79 . 2 2 20 20 SER N N 15 116.9 0.25 . 1 . . . . . . . . 5084 2 80 . 2 2 20 20 SER H H 1 8.10 0.01 . 1 . . . . . . . . 5084 2 81 . 2 2 21 21 SER N N 15 117.2 0.25 . 1 . . . . . . . . 5084 2 82 . 2 2 21 21 SER H H 1 8.19 0.01 . 1 . . . . . . . . 5084 2 83 . 2 2 22 22 TYR N N 15 125.8 0.25 . 1 . . . . . . . . 5084 2 84 . 2 2 22 22 TYR H H 1 7.64 0.01 . 1 . . . . . . . . 5084 2 85 . 2 2 22 22 TYR HB2 H 1 3.06 0.01 . 2 . . . . . . . . 5084 2 86 . 2 2 22 22 TYR HB3 H 1 2.88 0.01 . 2 . . . . . . . . 5084 2 87 . 2 2 22 22 TYR HD1 H 1 7.09 0.01 . 3 . . . . . . . . 5084 2 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5084 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5084 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 2 2 2 2 LEU H . . . . 2 2 2 2 LEU HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5084 1 2 3JHNHA . 2 2 3 3 MET H . . . . 2 2 3 3 MET HA . . . 7.5 . . 0.5 . . . . . . . . . . . 5084 1 3 3JHNHA . 2 2 4 4 SER H . . . . 2 2 4 4 SER HA . . . 6.6 . . 0.5 . . . . . . . . . . . 5084 1 4 3JHNHA . 2 2 5 5 LYS H . . . . 2 2 5 5 LYS HA . . . 8.3 . . 0.5 . . . . . . . . . . . 5084 1 5 3JHNHA . 2 2 6 6 LEU H . . . . 2 2 6 6 LEU HA . . . 6.2 . . 0.5 . . . . . . . . . . . 5084 1 6 3JHNHA . 2 2 7 7 SER H . . . . 2 2 7 7 SER HA . . . 8.4 . . 0.5 . . . . . . . . . . . 5084 1 7 3JHNHA . 2 2 9 9 ASN H . . . . 2 2 9 9 ASN HA . . . 4.6 . . 0.5 . . . . . . . . . . . 5084 1 8 3JHNHA . 2 2 10 10 ALA H . . . . 2 2 10 10 ALA HA . . . 2.8 . . 0.5 . . . . . . . . . . . 5084 1 9 3JHNHA . 2 2 12 12 GLU H . . . . 2 2 12 12 GLU HA . . . 4.5 . . 0.5 . . . . . . . . . . . 5084 1 10 3JHNHA . 2 2 13 13 PHE H . . . . 2 2 13 13 PHE HA . . . 9.8 . . 0.5 . . . . . . . . . . . 5084 1 11 3JHNHA . 2 2 14 14 TYR H . . . . 2 2 14 14 TYR HA . . . 8.6 . . 0.5 . . . . . . . . . . . 5084 1 12 3JHNHA . 2 2 16 16 SER H . . . . 2 2 16 16 SER HA . . . 4.7 . . 0.5 . . . . . . . . . . . 5084 1 13 3JHNHA . 2 2 17 17 GLY H . . . . 2 2 17 17 GLY HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5084 1 14 3JHNHA . 2 2 18 18 TYR H . . . . 2 2 18 18 TYR HA . . . 5.4 . . 0.5 . . . . . . . . . . . 5084 1 15 3JHNHA . 2 2 19 19 SER H . . . . 2 2 19 19 SER HA . . . 7.4 . . 0.5 . . . . . . . . . . . 5084 1 16 3JHNHA . 2 2 20 20 SER H . . . . 2 2 20 20 SER HA . . . 7.8 . . 0.5 . . . . . . . . . . . 5084 1 17 3JHNHA . 2 2 21 21 SER H . . . . 2 2 21 21 SER HA . . . 8.9 . . 0.5 . . . . . . . . . . . 5084 1 18 3JHNHA . 2 2 22 22 TYR H . . . . 2 2 22 22 TYR HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5084 1 stop_ save_