data_19247 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19247 _Entry.Title ; Backbone (1H,15N, CA, CB) assignments of Populus nigra Plastocyanin (Zn) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-17 _Entry.Accession_date 2013-05-17 _Entry.Last_release_date 2015-09-03 _Entry.Original_release_date 2015-09-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; The assignments were based on those of plastocyanin (Cd) in the following reference, and validated by HNCACB experiment: Biochimica et Biophysica Acta 1707 (2005) 179-188. ; _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 Jia-Ying Guan . . . 19247 2 Marcellus Ubbink . . . 19247 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19247 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 226 19247 '15N chemical shifts' 114 19247 '1H chemical shifts' 118 19247 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 . . 2015-09-03 2013-05-17 update BMRB 'ambiguity 6 changed to 9' 19247 1 . . 2013-06-04 2013-05-17 original author 'original release' 19247 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19236 'D. crassirhizoma Plastocyanin (Zn)' 19247 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19247 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Dynamics between plastocyanin and tetralysine peptides ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jia-Ying Guan . . . 19247 1 2 Johannes Foester . . . 19247 1 3 'Jan Wouter' Drijfhout . . . 19247 1 4 Monika Timmer . . . 19247 1 5 Anneloes Blok . . . 19247 1 6 Matthias Ullmann . . . 19247 1 7 Marcellus Ubbink . . . 19247 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19247 _Assembly.ID 1 _Assembly.Name plastocyanin _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 . _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 plastocyanin 1 $plastocyanin A . yes native yes no . . . 19247 1 2 zinc 2 $entity_ZN A . no native no no . . . 19247 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_plastocyanin _Entity.Sf_category entity _Entity.Sf_framecode plastocyanin _Entity.Entry_ID 19247 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name plastocyanin _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 ; MGIDVLLGADDGSLAFVPSE FSISPGEKIVFKNNAGFPHN IVFDEDSIPSGVDASKISMS EEDLLNAKGETFEVALSNKG EYSFYCSPHQGAGMVGKVTV N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; 1.The first two residues in the sequence (MG) are not included in the assignment data. The residue numbers in the assignment correspond to the sequence starting from the third residue (I). 2.N-terminal methionine was partially processed and therefore some residues near N-terminus in space have double resonances. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 yes PDB 5PCY . . . . . . . . . . . . . . . . 19247 1 2 no BMRB 4019 . "plastocyanin peptide" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 3 no PDB 1JXG . "The 1.6 A Resolution Crystal Structure Of A Mutant Poplar Plastocyanin Bearing A 21-25 Engeneered Disulfide Bridge" . . . . . 98.02 100 97.98 97.98 3.13e-61 . . . . 19247 1 4 no PDB 1PLC . "Accuracy And Precision In Protein Crystal Structure Analysis: Restrained Least-Squares Refinement Of The Crystal Structure Of P" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 5 no PDB 1PNC . "Accuracy And Precision In Protein Crystal Structure Analysis: Two Independent Refinements Of The Structure Of Poplar Plastocyan" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 6 no PDB 1PND . "Accuracy And Precision In Protein Crystal Structure Analysis: Two Independent Refinements Of The Structure Of Poplar Plastocyan" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 7 no PDB 1TKW . "The Transient Complex Of Poplar Plastocyanin With Turnip Cytochrome F Determined With Paramagnetic Nmr" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 8 no PDB 2PCY . "The Crystal Structure Of Poplar Apoplastocyanin At 1.8- Angstroms Resolution. The Geometry Of The Copper-Binding Site Is Create" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 9 no PDB 3PCY . "The Crystal Structure Of Mercury-Substituted Poplar Plastocyanin At 1.9-Angstroms Resolution" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 10 no PDB 4DP7 . "The 1.08 Angstrom Crystal Structure Of Oxidized (cuii) Poplar Plastocyanin A At Ph 4.0" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 11 no PDB 4DP8 . "The 1.07 Angstrom Crystal Structure Of Reduced (cui) Poplar Plastocyanin A At Ph 4.0" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 12 no PDB 4DP9 . "The 1.00 Angstrom Crystal Structure Of Oxidized (cuii) Poplar Plastocyanin A At Ph 6.0" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 13 no PDB 4DPA . "The 1.05 Angstrom Crystal Structure Of Reduced (cui) Poplar Plastocyanin A At Ph 6.0" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 14 no PDB 4DPB . "The 1.00 Angstrom Crystal Structure Of Oxidized (cuii) Poplar Plastocyanin A At Ph 8.0" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 15 no PDB 4DPC . "The 1.06 Angstrom Crystal Structure Of Reduced (cui) Poplar Plastocyanin A At Ph 8.0" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 16 no PDB 4PCY . "Crystal Structure Analyses Of Reduced (Cui) Poplar Plastocyanin At Six Ph Values" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 17 no PDB 5PCY . "Crystal Structure Analyses Of Reduced (Cui) Poplar Plastocyanin At Six Ph Values" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 18 no PDB 6PCY . "Crystal Structure Analyses Of Reduced (Cui) Poplar Plastocyanin At Six Ph Values" . . . . . 98.02 99 100.00 100.00 3.83e-63 . . . . 19247 1 19 no EMBL CAA90564 . "plastocyanin a [Populus nigra]" . . . . . 100.00 168 99.01 99.01 1.09e-65 . . . . 19247 1 20 no GB ABK96770 . "unknown [Populus trichocarpa x Populus deltoides]" . . . . . 100.00 168 98.02 98.02 1.20e-64 . . . . 19247 1 21 no GB EEE94750 . "Plastocyanin family protein [Populus trichocarpa]" . . . . . 100.00 168 99.01 99.01 1.09e-65 . . . . 19247 1 22 no REF XP_002307754 . "Plastocyanin family protein [Populus trichocarpa]" . . . . . 100.00 168 99.01 99.01 1.09e-65 . . . . 19247 1 23 no REF XP_011003094 . "PREDICTED: plastocyanin A, chloroplastic [Populus euphratica]" . . . . . 100.00 168 98.02 98.02 1.46e-64 . . . . 19247 1 24 no SP P00299 . "RecName: Full=Plastocyanin A, chloroplastic; Flags: Precursor" . . . . . 100.00 168 99.01 99.01 1.09e-65 . . . . 19247 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 -1 MET . 19247 1 2 0 GLY . 19247 1 3 1 ILE . 19247 1 4 2 ASP . 19247 1 5 3 VAL . 19247 1 6 4 LEU . 19247 1 7 5 LEU . 19247 1 8 6 GLY . 19247 1 9 7 ALA . 19247 1 10 8 ASP . 19247 1 11 9 ASP . 19247 1 12 10 GLY . 19247 1 13 11 SER . 19247 1 14 12 LEU . 19247 1 15 13 ALA . 19247 1 16 14 PHE . 19247 1 17 15 VAL . 19247 1 18 16 PRO . 19247 1 19 17 SER . 19247 1 20 18 GLU . 19247 1 21 19 PHE . 19247 1 22 20 SER . 19247 1 23 21 ILE . 19247 1 24 22 SER . 19247 1 25 23 PRO . 19247 1 26 24 GLY . 19247 1 27 25 GLU . 19247 1 28 26 LYS . 19247 1 29 27 ILE . 19247 1 30 28 VAL . 19247 1 31 29 PHE . 19247 1 32 30 LYS . 19247 1 33 31 ASN . 19247 1 34 32 ASN . 19247 1 35 33 ALA . 19247 1 36 34 GLY . 19247 1 37 35 PHE . 19247 1 38 36 PRO . 19247 1 39 37 HIS . 19247 1 40 38 ASN . 19247 1 41 39 ILE . 19247 1 42 40 VAL . 19247 1 43 41 PHE . 19247 1 44 42 ASP . 19247 1 45 43 GLU . 19247 1 46 44 ASP . 19247 1 47 45 SER . 19247 1 48 46 ILE . 19247 1 49 47 PRO . 19247 1 50 48 SER . 19247 1 51 49 GLY . 19247 1 52 50 VAL . 19247 1 53 51 ASP . 19247 1 54 52 ALA . 19247 1 55 53 SER . 19247 1 56 54 LYS . 19247 1 57 55 ILE . 19247 1 58 56 SER . 19247 1 59 57 MET . 19247 1 60 58 SER . 19247 1 61 59 GLU . 19247 1 62 60 GLU . 19247 1 63 61 ASP . 19247 1 64 62 LEU . 19247 1 65 63 LEU . 19247 1 66 64 ASN . 19247 1 67 65 ALA . 19247 1 68 66 LYS . 19247 1 69 67 GLY . 19247 1 70 68 GLU . 19247 1 71 69 THR . 19247 1 72 70 PHE . 19247 1 73 71 GLU . 19247 1 74 72 VAL . 19247 1 75 73 ALA . 19247 1 76 74 LEU . 19247 1 77 75 SER . 19247 1 78 76 ASN . 19247 1 79 77 LYS . 19247 1 80 78 GLY . 19247 1 81 79 GLU . 19247 1 82 80 TYR . 19247 1 83 81 SER . 19247 1 84 82 PHE . 19247 1 85 83 TYR . 19247 1 86 84 CYS . 19247 1 87 85 SER . 19247 1 88 86 PRO . 19247 1 89 87 HIS . 19247 1 90 88 GLN . 19247 1 91 89 GLY . 19247 1 92 90 ALA . 19247 1 93 91 GLY . 19247 1 94 92 MET . 19247 1 95 93 VAL . 19247 1 96 94 GLY . 19247 1 97 95 LYS . 19247 1 98 96 VAL . 19247 1 99 97 THR . 19247 1 100 98 VAL . 19247 1 101 99 ASN . 19247 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19247 1 . GLY 2 2 19247 1 . ILE 3 3 19247 1 . ASP 4 4 19247 1 . VAL 5 5 19247 1 . LEU 6 6 19247 1 . LEU 7 7 19247 1 . GLY 8 8 19247 1 . ALA 9 9 19247 1 . ASP 10 10 19247 1 . ASP 11 11 19247 1 . GLY 12 12 19247 1 . SER 13 13 19247 1 . LEU 14 14 19247 1 . ALA 15 15 19247 1 . PHE 16 16 19247 1 . VAL 17 17 19247 1 . PRO 18 18 19247 1 . SER 19 19 19247 1 . GLU 20 20 19247 1 . PHE 21 21 19247 1 . SER 22 22 19247 1 . ILE 23 23 19247 1 . SER 24 24 19247 1 . PRO 25 25 19247 1 . GLY 26 26 19247 1 . GLU 27 27 19247 1 . LYS 28 28 19247 1 . ILE 29 29 19247 1 . VAL 30 30 19247 1 . PHE 31 31 19247 1 . LYS 32 32 19247 1 . ASN 33 33 19247 1 . ASN 34 34 19247 1 . ALA 35 35 19247 1 . GLY 36 36 19247 1 . PHE 37 37 19247 1 . PRO 38 38 19247 1 . HIS 39 39 19247 1 . ASN 40 40 19247 1 . ILE 41 41 19247 1 . VAL 42 42 19247 1 . PHE 43 43 19247 1 . ASP 44 44 19247 1 . GLU 45 45 19247 1 . ASP 46 46 19247 1 . SER 47 47 19247 1 . ILE 48 48 19247 1 . PRO 49 49 19247 1 . SER 50 50 19247 1 . GLY 51 51 19247 1 . VAL 52 52 19247 1 . ASP 53 53 19247 1 . ALA 54 54 19247 1 . SER 55 55 19247 1 . LYS 56 56 19247 1 . ILE 57 57 19247 1 . SER 58 58 19247 1 . MET 59 59 19247 1 . SER 60 60 19247 1 . GLU 61 61 19247 1 . GLU 62 62 19247 1 . ASP 63 63 19247 1 . LEU 64 64 19247 1 . LEU 65 65 19247 1 . ASN 66 66 19247 1 . ALA 67 67 19247 1 . LYS 68 68 19247 1 . GLY 69 69 19247 1 . GLU 70 70 19247 1 . THR 71 71 19247 1 . PHE 72 72 19247 1 . GLU 73 73 19247 1 . VAL 74 74 19247 1 . ALA 75 75 19247 1 . LEU 76 76 19247 1 . SER 77 77 19247 1 . ASN 78 78 19247 1 . LYS 79 79 19247 1 . GLY 80 80 19247 1 . GLU 81 81 19247 1 . TYR 82 82 19247 1 . SER 83 83 19247 1 . PHE 84 84 19247 1 . TYR 85 85 19247 1 . CYS 86 86 19247 1 . SER 87 87 19247 1 . PRO 88 88 19247 1 . HIS 89 89 19247 1 . GLN 90 90 19247 1 . GLY 91 91 19247 1 . ALA 92 92 19247 1 . GLY 93 93 19247 1 . MET 94 94 19247 1 . VAL 95 95 19247 1 . GLY 96 96 19247 1 . LYS 97 97 19247 1 . VAL 98 98 19247 1 . THR 99 99 19247 1 . VAL 100 100 19247 1 . ASN 101 101 19247 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19247 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19247 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19247 2 ZN 'Three letter code' 19247 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 1 ZN $chem_comp_ZN 19247 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19247 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 19247 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $plastocyanin . 3691 plasmid . 'Populus nigra' 'Lombardy poplar' . . Eukaryota Viridiplantae Populus nigra . . . . . . . . . . . . . 19247 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 19247 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $plastocyanin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 19247 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19247 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19247 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19247 ZN [Zn++] SMILES CACTVS 3.341 19247 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19247 ZN [Zn+2] SMILES ACDLabs 10.04 19247 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19247 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19247 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19247 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19247 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19247 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19247 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 plastocyanin '[U-13C; U-15N]' . . 1 $plastocyanin . . 0.25 . . mM 0.01 . . . 19247 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19247 1 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 19247 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10 mM sodium phosphate' 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' 10 . mM 19247 1 pH 6.5 . pH 19247 1 pressure 1 . atm 19247 1 temperature 300 . K 19247 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19247 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19247 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19247 1 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 19247 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19247 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19247 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 19247 _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 HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19247 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 19247 _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 carbon' . . . . ppm 54.03 internal direct 1.0 . . . . . . . . . 19247 1 H 1 water protons . . . . ppm 4.734 internal direct 1.0 . . . . . . . . . 19247 1 N 15 DSS nitrogen . . . . ppm 118.53 internal direct 1.0 . . . . . . . . . 19247 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 19247 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Estimated from the spectral resolution after zero filling.' _Assigned_chem_shift_list.Details ; Side chain resonance assignments were taken from the following reference: Christian Lange et al. Biochimica et Biophysica Acta 1707 (2005)179-188. ; _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 '3D HNCACB' . . . 19247 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 ILE CA C 13 59.767 0.1 . 9 . . . . 1 ILE CA . 19247 1 2 . 1 1 3 3 ILE CB C 13 38.607 0.1 . 9 . . . . 1 ILE CB . 19247 1 3 . 1 1 4 4 ASP H H 1 8.310 0.01 . 9 . . . . 2 ASP H . 19247 1 4 . 1 1 4 4 ASP CA C 13 53.102 0.1 . 9 . . . . 2 ASP CA . 19247 1 5 . 1 1 4 4 ASP CB C 13 41.587 0.1 . 9 . . . . 2 ASP CB . 19247 1 6 . 1 1 4 4 ASP N N 15 111.506 0.2 . 9 . . . . 2 ASP N . 19247 1 7 . 1 1 5 5 VAL H H 1 8.773 0.01 . 9 . . . . 3 VAL H . 19247 1 8 . 1 1 5 5 VAL CA C 13 60.640 0.1 . 9 . . . . 3 VAL CA . 19247 1 9 . 1 1 5 5 VAL CB C 13 35.083 0.1 . 9 . . . . 3 VAL CB . 19247 1 10 . 1 1 5 5 VAL N N 15 124.297 0.2 . 9 . . . . 3 VAL N . 19247 1 11 . 1 1 6 6 LEU H H 1 8.963 0.01 . 1 . . . . 4 LEU H . 19247 1 12 . 1 1 6 6 LEU CA C 13 54.685 0.1 . 1 . . . . 4 LEU CA . 19247 1 13 . 1 1 6 6 LEU CB C 13 42.581 0.1 . 1 . . . . 4 LEU CB . 19247 1 14 . 1 1 6 6 LEU N N 15 126.341 0.2 . 1 . . . . 4 LEU N . 19247 1 15 . 1 1 7 7 LEU H H 1 8.626 0.01 . 1 . . . . 5 LEU H . 19247 1 16 . 1 1 7 7 LEU CA C 13 53.186 0.1 . 1 . . . . 5 LEU CA . 19247 1 17 . 1 1 7 7 LEU CB C 13 41.426 0.1 . 1 . . . . 5 LEU CB . 19247 1 18 . 1 1 7 7 LEU N N 15 119.727 0.2 . 1 . . . . 5 LEU N . 19247 1 19 . 1 1 8 8 GLY H H 1 7.816 0.01 . 1 . . . . 6 GLY H . 19247 1 20 . 1 1 8 8 GLY CA C 13 44.369 0.1 . 1 . . . . 6 GLY CA . 19247 1 21 . 1 1 8 8 GLY N N 15 116.570 0.2 . 1 . . . . 6 GLY N . 19247 1 22 . 1 1 9 9 ALA H H 1 7.995 0.01 . 1 . . . . 7 ALA H . 19247 1 23 . 1 1 9 9 ALA CA C 13 50.760 0.1 . 1 . . . . 7 ALA CA . 19247 1 24 . 1 1 9 9 ALA CB C 13 20.872 0.1 . 1 . . . . 7 ALA CB . 19247 1 25 . 1 1 9 9 ALA N N 15 125.403 0.2 . 1 . . . . 7 ALA N . 19247 1 26 . 1 1 10 10 ASP H H 1 8.935 0.01 . 1 . . . . 8 ASP H . 19247 1 27 . 1 1 10 10 ASP CA C 13 57.513 0.1 . 1 . . . . 8 ASP CA . 19247 1 28 . 1 1 10 10 ASP CB C 13 39.981 0.1 . 1 . . . . 8 ASP CB . 19247 1 29 . 1 1 10 10 ASP N N 15 120.217 0.2 . 1 . . . . 8 ASP N . 19247 1 30 . 1 1 11 11 ASP H H 1 7.627 0.01 . 1 . . . . 9 ASP H . 19247 1 31 . 1 1 11 11 ASP CA C 13 53.426 0.1 . 1 . . . . 9 ASP CA . 19247 1 32 . 1 1 11 11 ASP CB C 13 39.592 0.1 . 1 . . . . 9 ASP CB . 19247 1 33 . 1 1 11 11 ASP N N 15 115.664 0.2 . 1 . . . . 9 ASP N . 19247 1 34 . 1 1 12 12 GLY H H 1 8.189 0.01 . 1 . . . . 10 GLY H . 19247 1 35 . 1 1 12 12 GLY CA C 13 44.711 0.1 . 1 . . . . 10 GLY CA . 19247 1 36 . 1 1 12 12 GLY N N 15 109.023 0.2 . 1 . . . . 10 GLY N . 19247 1 37 . 1 1 13 13 SER H H 1 8.046 0.01 . 1 . . . . 11 SER H . 19247 1 38 . 1 1 13 13 SER CA C 13 60.357 0.1 . 1 . . . . 11 SER CA . 19247 1 39 . 1 1 13 13 SER CB C 13 63.095 0.1 . 1 . . . . 11 SER CB . 19247 1 40 . 1 1 13 13 SER N N 15 116.096 0.2 . 1 . . . . 11 SER N . 19247 1 41 . 1 1 14 14 LEU H H 1 8.682 0.01 . 1 . . . . 12 LEU H . 19247 1 42 . 1 1 14 14 LEU CA C 13 53.165 0.1 . 1 . . . . 12 LEU CA . 19247 1 43 . 1 1 14 14 LEU CB C 13 39.117 0.1 . 1 . . . . 12 LEU CB . 19247 1 44 . 1 1 14 14 LEU N N 15 126.218 0.2 . 1 . . . . 12 LEU N . 19247 1 45 . 1 1 15 15 ALA H H 1 7.351 0.01 . 1 . . . . 13 ALA H . 19247 1 46 . 1 1 15 15 ALA CA C 13 50.062 0.1 . 1 . . . . 13 ALA CA . 19247 1 47 . 1 1 15 15 ALA CB C 13 22.393 0.1 . 1 . . . . 13 ALA CB . 19247 1 48 . 1 1 15 15 ALA N N 15 124.897 0.2 . 1 . . . . 13 ALA N . 19247 1 49 . 1 1 16 16 PHE H H 1 9.077 0.01 . 1 . . . . 14 PHE H . 19247 1 50 . 1 1 16 16 PHE CA C 13 58.352 0.1 . 1 . . . . 14 PHE CA . 19247 1 51 . 1 1 16 16 PHE CB C 13 40.453 0.1 . 1 . . . . 14 PHE CB . 19247 1 52 . 1 1 16 16 PHE N N 15 121.508 0.2 . 1 . . . . 14 PHE N . 19247 1 53 . 1 1 17 17 VAL H H 1 8.823 0.01 . 1 . . . . 15 VAL H . 19247 1 54 . 1 1 17 17 VAL CA C 13 59.312 0.1 . 1 . . . . 15 VAL CA . 19247 1 55 . 1 1 17 17 VAL CB C 13 34.208 0.1 . 1 . . . . 15 VAL CB . 19247 1 56 . 1 1 17 17 VAL N N 15 121.844 0.2 . 1 . . . . 15 VAL N . 19247 1 57 . 1 1 18 18 PRO CA C 13 63.632 0.1 . 1 . . . . 16 PRO CA . 19247 1 58 . 1 1 18 18 PRO CB C 13 35.038 0.1 . 1 . . . . 16 PRO CB . 19247 1 59 . 1 1 19 19 SER H H 1 8.160 0.01 . 1 . . . . 17 SER H . 19247 1 60 . 1 1 19 19 SER CA C 13 59.209 0.1 . 1 . . . . 17 SER CA . 19247 1 61 . 1 1 19 19 SER CB C 13 64.626 0.1 . 1 . . . . 17 SER CB . 19247 1 62 . 1 1 19 19 SER N N 15 108.028 0.2 . 1 . . . . 17 SER N . 19247 1 63 . 1 1 20 20 GLU H H 1 7.500 0.01 . 1 . . . . 18 GLU H . 19247 1 64 . 1 1 20 20 GLU CA C 13 55.260 0.1 . 1 . . . . 18 GLU CA . 19247 1 65 . 1 1 20 20 GLU CB C 13 32.275 0.1 . 1 . . . . 18 GLU CB . 19247 1 66 . 1 1 20 20 GLU N N 15 120.234 0.2 . 1 . . . . 18 GLU N . 19247 1 67 . 1 1 21 21 PHE H H 1 7.632 0.01 . 1 . . . . 19 PHE H . 19247 1 68 . 1 1 21 21 PHE CA C 13 55.999 0.1 . 1 . . . . 19 PHE CA . 19247 1 69 . 1 1 21 21 PHE CB C 13 39.071 0.1 . 1 . . . . 19 PHE CB . 19247 1 70 . 1 1 21 21 PHE N N 15 119.307 0.2 . 1 . . . . 19 PHE N . 19247 1 71 . 1 1 22 22 SER H H 1 8.626 0.01 . 9 . . . . 20 SER H . 19247 1 72 . 1 1 22 22 SER CA C 13 56.669 0.1 . 9 . . . . 20 SER CA . 19247 1 73 . 1 1 22 22 SER CB C 13 66.271 0.1 . 9 . . . . 20 SER CB . 19247 1 74 . 1 1 22 22 SER N N 15 115.636 0.2 . 9 . . . . 20 SER N . 19247 1 75 . 1 1 23 23 ILE H H 1 8.716 0.01 . 1 . . . . 21 ILE H . 19247 1 76 . 1 1 23 23 ILE CA C 13 59.622 0.1 . 9 . . . . 21 ILE CA . 19247 1 77 . 1 1 23 23 ILE CB C 13 42.714 0.1 . 9 . . . . 21 ILE CB . 19247 1 78 . 1 1 23 23 ILE N N 15 116.801 0.2 . 1 . . . . 21 ILE N . 19247 1 79 . 1 1 24 24 SER H H 1 8.228 0.01 . 9 . . . . 22 SER H . 19247 1 80 . 1 1 24 24 SER CA C 13 56.992 0.1 . 9 . . . . 22 SER CA . 19247 1 81 . 1 1 24 24 SER CB C 13 63.176 0.1 . 9 . . . . 22 SER CB . 19247 1 82 . 1 1 24 24 SER N N 15 117.124 0.2 . 9 . . . . 22 SER N . 19247 1 83 . 1 1 25 25 PRO CA C 13 64.519 0.1 . 9 . . . . 23 PRO CA . 19247 1 84 . 1 1 25 25 PRO CB C 13 31.467 0.1 . 9 . . . . 23 PRO CB . 19247 1 85 . 1 1 26 26 GLY H H 1 9.095 0.01 . 9 . . . . 24 GLY H . 19247 1 86 . 1 1 26 26 GLY CA C 13 44.958 0.1 . 9 . . . . 24 GLY CA . 19247 1 87 . 1 1 26 26 GLY N N 15 114.271 0.2 . 9 . . . . 24 GLY N . 19247 1 88 . 1 1 27 27 GLU H H 1 7.801 0.01 . 9 . . . . 25 GLU H . 19247 1 89 . 1 1 27 27 GLU CA C 13 56.603 0.1 . 9 . . . . 25 GLU CA . 19247 1 90 . 1 1 27 27 GLU CB C 13 30.652 0.1 . 9 . . . . 25 GLU CB . 19247 1 91 . 1 1 27 27 GLU N N 15 123.377 0.2 . 9 . . . . 25 GLU N . 19247 1 92 . 1 1 28 28 LYS H H 1 8.040 0.01 . 9 . . . . 26 LYS H . 19247 1 93 . 1 1 28 28 LYS CA C 13 56.167 0.1 . 9 . . . . 26 LYS CA . 19247 1 94 . 1 1 28 28 LYS CB C 13 33.675 0.1 . 9 . . . . 26 LYS CB . 19247 1 95 . 1 1 28 28 LYS N N 15 122.610 0.2 . 9 . . . . 26 LYS N . 19247 1 96 . 1 1 29 29 ILE H H 1 8.858 0.01 . 9 . . . . 27 ILE H . 19247 1 97 . 1 1 29 29 ILE CA C 13 60.654 0.1 . 9 . . . . 27 ILE CA . 19247 1 98 . 1 1 29 29 ILE CB C 13 39.110 0.1 . 9 . . . . 27 ILE CB . 19247 1 99 . 1 1 29 29 ILE N N 15 125.285 0.2 . 9 . . . . 27 ILE N . 19247 1 100 . 1 1 30 30 VAL H H 1 8.437 0.01 . 9 . . . . 28 VAL H . 19247 1 101 . 1 1 30 30 VAL CA C 13 61.634 0.1 . 9 . . . . 28 VAL CA . 19247 1 102 . 1 1 30 30 VAL CB C 13 31.141 0.1 . 9 . . . . 28 VAL CB . 19247 1 103 . 1 1 30 30 VAL N N 15 127.171 0.2 . 9 . . . . 28 VAL N . 19247 1 104 . 1 1 31 31 PHE H H 1 9.042 0.01 . 1 . . . . 29 PHE H . 19247 1 105 . 1 1 31 31 PHE CA C 13 57.184 0.1 . 1 . . . . 29 PHE CA . 19247 1 106 . 1 1 31 31 PHE CB C 13 39.291 0.1 . 1 . . . . 29 PHE CB . 19247 1 107 . 1 1 31 31 PHE N N 15 126.860 0.2 . 1 . . . . 29 PHE N . 19247 1 108 . 1 1 32 32 LYS H H 1 9.138 0.01 . 9 . . . . 30 LYS H . 19247 1 109 . 1 1 32 32 LYS CA C 13 54.883 0.1 . 9 . . . . 30 LYS CA . 19247 1 110 . 1 1 32 32 LYS CB C 13 35.111 0.1 . 9 . . . . 30 LYS CB . 19247 1 111 . 1 1 32 32 LYS N N 15 122.912 0.2 . 9 . . . . 30 LYS N . 19247 1 112 . 1 1 33 33 ASN H H 1 9.229 0.01 . 1 . . . . 31 ASN H . 19247 1 113 . 1 1 33 33 ASN CA C 13 54.465 0.1 . 1 . . . . 31 ASN CA . 19247 1 114 . 1 1 33 33 ASN CB C 13 38.453 0.1 . 1 . . . . 31 ASN CB . 19247 1 115 . 1 1 33 33 ASN N N 15 127.078 0.2 . 1 . . . . 31 ASN N . 19247 1 116 . 1 1 34 34 ASN H H 1 9.016 0.01 . 1 . . . . 32 ASN H . 19247 1 117 . 1 1 34 34 ASN CA C 13 56.504 0.1 . 1 . . . . 32 ASN CA . 19247 1 118 . 1 1 34 34 ASN CB C 13 42.509 0.1 . 1 . . . . 32 ASN CB . 19247 1 119 . 1 1 34 34 ASN N N 15 129.512 0.2 . 1 . . . . 32 ASN N . 19247 1 120 . 1 1 35 35 ALA H H 1 8.647 0.01 . 1 . . . . 33 ALA H . 19247 1 121 . 1 1 35 35 ALA CA C 13 52.288 0.1 . 1 . . . . 33 ALA CA . 19247 1 122 . 1 1 35 35 ALA CB C 13 22.051 0.1 . 1 . . . . 33 ALA CB . 19247 1 123 . 1 1 35 35 ALA N N 15 120.136 0.2 . 1 . . . . 33 ALA N . 19247 1 124 . 1 1 36 36 GLY H H 1 7.750 0.01 . 1 . . . . 34 GLY H . 19247 1 125 . 1 1 36 36 GLY CA C 13 47.513 0.1 . 1 . . . . 34 GLY CA . 19247 1 126 . 1 1 36 36 GLY N N 15 116.778 0.2 . 1 . . . . 34 GLY N . 19247 1 127 . 1 1 37 37 PHE H H 1 5.720 0.01 . 1 . . . . 35 PHE H . 19247 1 128 . 1 1 37 37 PHE CA C 13 52.801 0.1 . 1 . . . . 35 PHE CA . 19247 1 129 . 1 1 37 37 PHE CB C 13 36.981 0.1 . 1 . . . . 35 PHE CB . 19247 1 130 . 1 1 37 37 PHE N N 15 114.854 0.2 . 1 . . . . 35 PHE N . 19247 1 131 . 1 1 38 38 PRO CA C 13 62.476 0.1 . 1 . . . . 36 PRO CA . 19247 1 132 . 1 1 38 38 PRO CB C 13 36.820 0.1 . 1 . . . . 36 PRO CB . 19247 1 133 . 1 1 39 39 HIS H H 1 7.852 0.01 . 1 . . . . 37 HIS H . 19247 1 134 . 1 1 39 39 HIS CA C 13 53.923 0.1 . 1 . . . . 37 HIS CA . 19247 1 135 . 1 1 39 39 HIS CB C 13 36.590 0.1 . 1 . . . . 37 HIS CB . 19247 1 136 . 1 1 39 39 HIS N N 15 110.490 0.2 . 1 . . . . 37 HIS N . 19247 1 137 . 1 1 40 40 ASN H H 1 9.196 0.01 . 1 . . . . 38 ASN H . 19247 1 138 . 1 1 40 40 ASN HD21 H 1 7.043 0.01 . 2 . . . . 38 ASN HD21 . 19247 1 139 . 1 1 40 40 ASN HD22 H 1 6.242 0.01 . 2 . . . . 38 ASN HD22 . 19247 1 140 . 1 1 40 40 ASN CA C 13 52.665 0.1 . 1 . . . . 38 ASN CA . 19247 1 141 . 1 1 40 40 ASN CB C 13 39.938 0.1 . 1 . . . . 38 ASN CB . 19247 1 142 . 1 1 40 40 ASN N N 15 120.640 0.2 . 1 . . . . 38 ASN N . 19247 1 143 . 1 1 40 40 ASN ND2 N 15 107.207 0.2 . 1 . . . . 38 ASN ND2 . 19247 1 144 . 1 1 41 41 ILE H H 1 6.082 0.01 . 1 . . . . 39 ILE H . 19247 1 145 . 1 1 41 41 ILE CA C 13 61.926 0.1 . 1 . . . . 39 ILE CA . 19247 1 146 . 1 1 41 41 ILE CB C 13 40.275 0.1 . 1 . . . . 39 ILE CB . 19247 1 147 . 1 1 41 41 ILE N N 15 112.929 0.2 . 1 . . . . 39 ILE N . 19247 1 148 . 1 1 42 42 VAL H H 1 8.605 0.01 . 1 . . . . 40 VAL H . 19247 1 149 . 1 1 42 42 VAL CA C 13 61.156 0.1 . 1 . . . . 40 VAL CA . 19247 1 150 . 1 1 42 42 VAL CB C 13 34.729 0.1 . 1 . . . . 40 VAL CB . 19247 1 151 . 1 1 42 42 VAL N N 15 126.702 0.2 . 1 . . . . 40 VAL N . 19247 1 152 . 1 1 43 43 PHE H H 1 8.529 0.01 . 1 . . . . 41 PHE H . 19247 1 153 . 1 1 43 43 PHE CA C 13 57.890 0.1 . 1 . . . . 41 PHE CA . 19247 1 154 . 1 1 43 43 PHE CB C 13 39.587 0.1 . 1 . . . . 41 PHE CB . 19247 1 155 . 1 1 43 43 PHE N N 15 123.281 0.2 . 1 . . . . 41 PHE N . 19247 1 156 . 1 1 44 44 ASP H H 1 8.385 0.01 . 1 . . . . 42 ASP H . 19247 1 157 . 1 1 44 44 ASP CA C 13 53.752 0.1 . 1 . . . . 42 ASP CA . 19247 1 158 . 1 1 44 44 ASP CB C 13 42.319 0.1 . 1 . . . . 42 ASP CB . 19247 1 159 . 1 1 44 44 ASP N N 15 121.620 0.2 . 1 . . . . 42 ASP N . 19247 1 160 . 1 1 45 45 GLU H H 1 8.748 0.01 . 1 . . . . 43 GLU H . 19247 1 161 . 1 1 45 45 GLU CA C 13 59.063 0.1 . 1 . . . . 43 GLU CA . 19247 1 162 . 1 1 45 45 GLU CB C 13 29.609 0.1 . 1 . . . . 43 GLU CB . 19247 1 163 . 1 1 45 45 GLU N N 15 126.012 0.2 . 1 . . . . 43 GLU N . 19247 1 164 . 1 1 46 46 ASP H H 1 8.314 0.01 . 1 . . . . 44 ASP H . 19247 1 165 . 1 1 46 46 ASP CA C 13 55.370 0.1 . 1 . . . . 44 ASP CA . 19247 1 166 . 1 1 46 46 ASP CB C 13 41.475 0.1 . 1 . . . . 44 ASP CB . 19247 1 167 . 1 1 46 46 ASP N N 15 117.902 0.2 . 1 . . . . 44 ASP N . 19247 1 168 . 1 1 47 47 SER H H 1 8.125 0.01 . 1 . . . . 45 SER H . 19247 1 169 . 1 1 47 47 SER CA C 13 56.751 0.1 . 1 . . . . 45 SER CA . 19247 1 170 . 1 1 47 47 SER CB C 13 64.331 0.1 . 1 . . . . 45 SER CB . 19247 1 171 . 1 1 47 47 SER N N 15 116.782 0.2 . 1 . . . . 45 SER N . 19247 1 172 . 1 1 48 48 ILE H H 1 7.060 0.01 . 1 . . . . 46 ILE H . 19247 1 173 . 1 1 48 48 ILE CA C 13 58.830 0.1 . 1 . . . . 46 ILE CA . 19247 1 174 . 1 1 48 48 ILE CB C 13 39.453 0.1 . 1 . . . . 46 ILE CB . 19247 1 175 . 1 1 48 48 ILE N N 15 115.277 0.2 . 1 . . . . 46 ILE N . 19247 1 176 . 1 1 49 49 PRO CA C 13 59.772 0.1 . 1 . . . . 47 PRO CA . 19247 1 177 . 1 1 49 49 PRO CB C 13 31.977 0.1 . 1 . . . . 47 PRO CB . 19247 1 178 . 1 1 50 50 SER H H 1 8.235 0.01 . 1 . . . . 48 SER H . 19247 1 179 . 1 1 50 50 SER CA C 13 59.766 0.1 . 1 . . . . 48 SER CA . 19247 1 180 . 1 1 50 50 SER CB C 13 63.320 0.1 . 1 . . . . 48 SER CB . 19247 1 181 . 1 1 50 50 SER N N 15 115.801 0.2 . 1 . . . . 48 SER N . 19247 1 182 . 1 1 51 51 GLY H H 1 8.729 0.01 . 1 . . . . 49 GLY H . 19247 1 183 . 1 1 51 51 GLY CA C 13 45.111 0.1 . 1 . . . . 49 GLY CA . 19247 1 184 . 1 1 51 51 GLY N N 15 113.150 0.2 . 1 . . . . 49 GLY N . 19247 1 185 . 1 1 52 52 VAL H H 1 7.372 0.01 . 1 . . . . 50 VAL H . 19247 1 186 . 1 1 52 52 VAL CA C 13 62.264 0.1 . 1 . . . . 50 VAL CA . 19247 1 187 . 1 1 52 52 VAL CB C 13 32.428 0.1 . 1 . . . . 50 VAL CB . 19247 1 188 . 1 1 52 52 VAL N N 15 121.379 0.2 . 1 . . . . 50 VAL N . 19247 1 189 . 1 1 53 53 ASP H H 1 8.251 0.01 . 1 . . . . 51 ASP H . 19247 1 190 . 1 1 53 53 ASP CA C 13 52.255 0.1 . 1 . . . . 51 ASP CA . 19247 1 191 . 1 1 53 53 ASP CB C 13 41.037 0.1 . 1 . . . . 51 ASP CB . 19247 1 192 . 1 1 53 53 ASP N N 15 126.998 0.2 . 1 . . . . 51 ASP N . 19247 1 193 . 1 1 54 54 ALA H H 1 9.348 0.01 . 1 . . . . 52 ALA H . 19247 1 194 . 1 1 54 54 ALA CA C 13 54.955 0.1 . 1 . . . . 52 ALA CA . 19247 1 195 . 1 1 54 54 ALA CB C 13 18.475 0.1 . 1 . . . . 52 ALA CB . 19247 1 196 . 1 1 54 54 ALA N N 15 130.323 0.2 . 1 . . . . 52 ALA N . 19247 1 197 . 1 1 55 55 SER H H 1 8.617 0.01 . 1 . . . . 53 SER H . 19247 1 198 . 1 1 55 55 SER CA C 13 61.476 0.1 . 1 . . . . 53 SER CA . 19247 1 199 . 1 1 55 55 SER CB C 13 63.133 0.1 . 1 . . . . 53 SER CB . 19247 1 200 . 1 1 55 55 SER N N 15 114.484 0.2 . 1 . . . . 53 SER N . 19247 1 201 . 1 1 56 56 LYS H H 1 7.314 0.01 . 1 . . . . 54 LYS H . 19247 1 202 . 1 1 56 56 LYS CA C 13 56.768 0.1 . 1 . . . . 54 LYS CA . 19247 1 203 . 1 1 56 56 LYS CB C 13 32.960 0.1 . 1 . . . . 54 LYS CB . 19247 1 204 . 1 1 56 56 LYS N N 15 119.133 0.2 . 1 . . . . 54 LYS N . 19247 1 205 . 1 1 57 57 ILE H H 1 6.984 0.01 . 1 . . . . 55 ILE H . 19247 1 206 . 1 1 57 57 ILE CA C 13 61.159 0.1 . 1 . . . . 55 ILE CA . 19247 1 207 . 1 1 57 57 ILE CB C 13 38.301 0.1 . 1 . . . . 55 ILE CB . 19247 1 208 . 1 1 57 57 ILE N N 15 109.906 0.2 . 1 . . . . 55 ILE N . 19247 1 209 . 1 1 58 58 SER H H 1 6.649 0.01 . 1 . . . . 56 SER H . 19247 1 210 . 1 1 58 58 SER CA C 13 58.175 0.1 . 1 . . . . 56 SER CA . 19247 1 211 . 1 1 58 58 SER CB C 13 67.137 0.1 . 1 . . . . 56 SER CB . 19247 1 212 . 1 1 58 58 SER N N 15 110.478 0.2 . 1 . . . . 56 SER N . 19247 1 213 . 1 1 59 59 MET H H 1 8.247 0.01 . 9 . . . . 57 MET H . 19247 1 214 . 1 1 59 59 MET CA C 13 56.539 0.1 . 9 . . . . 57 MET CA . 19247 1 215 . 1 1 59 59 MET CB C 13 33.121 0.1 . 9 . . . . 57 MET CB . 19247 1 216 . 1 1 59 59 MET N N 15 122.878 0.2 . 9 . . . . 57 MET N . 19247 1 217 . 1 1 60 60 SER H H 1 8.548 0.01 . 1 . . . . 58 SER H . 19247 1 218 . 1 1 60 60 SER CA C 13 58.501 0.1 . 1 . . . . 58 SER CA . 19247 1 219 . 1 1 60 60 SER CB C 13 63.507 0.1 . 1 . . . . 58 SER CB . 19247 1 220 . 1 1 60 60 SER N N 15 116.149 0.2 . 1 . . . . 58 SER N . 19247 1 221 . 1 1 61 61 GLU H H 1 8.597 0.01 . 1 . . . . 59 GLU H . 19247 1 222 . 1 1 61 61 GLU CA C 13 59.727 0.1 . 1 . . . . 59 GLU CA . 19247 1 223 . 1 1 61 61 GLU CB C 13 29.481 0.1 . 1 . . . . 59 GLU CB . 19247 1 224 . 1 1 61 61 GLU N N 15 123.249 0.2 . 1 . . . . 59 GLU N . 19247 1 225 . 1 1 62 62 GLU H H 1 8.047 0.01 . 1 . . . . 60 GLU H . 19247 1 226 . 1 1 62 62 GLU CA C 13 56.379 0.1 . 1 . . . . 60 GLU CA . 19247 1 227 . 1 1 62 62 GLU CB C 13 29.807 0.1 . 1 . . . . 60 GLU CB . 19247 1 228 . 1 1 62 62 GLU N N 15 113.752 0.2 . 1 . . . . 60 GLU N . 19247 1 229 . 1 1 63 63 ASP H H 1 7.601 0.01 . 1 . . . . 61 ASP H . 19247 1 230 . 1 1 63 63 ASP CA C 13 54.053 0.1 . 1 . . . . 61 ASP CA . 19247 1 231 . 1 1 63 63 ASP CB C 13 42.146 0.1 . 1 . . . . 61 ASP CB . 19247 1 232 . 1 1 63 63 ASP N N 15 122.874 0.2 . 1 . . . . 61 ASP N . 19247 1 233 . 1 1 64 64 LEU H H 1 7.723 0.01 . 1 . . . . 62 LEU H . 19247 1 234 . 1 1 64 64 LEU CA C 13 53.521 0.1 . 1 . . . . 62 LEU CA . 19247 1 235 . 1 1 64 64 LEU CB C 13 46.619 0.1 . 1 . . . . 62 LEU CB . 19247 1 236 . 1 1 64 64 LEU N N 15 118.620 0.2 . 1 . . . . 62 LEU N . 19247 1 237 . 1 1 65 65 LEU H H 1 8.882 0.01 . 1 . . . . 63 LEU H . 19247 1 238 . 1 1 65 65 LEU CA C 13 54.079 0.1 . 1 . . . . 63 LEU CA . 19247 1 239 . 1 1 65 65 LEU CB C 13 40.339 0.1 . 1 . . . . 63 LEU CB . 19247 1 240 . 1 1 65 65 LEU N N 15 120.055 0.2 . 1 . . . . 63 LEU N . 19247 1 241 . 1 1 66 66 ASN H H 1 8.467 0.01 . 1 . . . . 64 ASN H . 19247 1 242 . 1 1 66 66 ASN HD21 H 1 7.631 0.01 . 2 . . . . 64 ASN HD21 . 19247 1 243 . 1 1 66 66 ASN HD22 H 1 6.865 0.01 . 2 . . . . 64 ASN HD22 . 19247 1 244 . 1 1 66 66 ASN CA C 13 54.798 0.1 . 1 . . . . 64 ASN CA . 19247 1 245 . 1 1 66 66 ASN CB C 13 42.104 0.1 . 1 . . . . 64 ASN CB . 19247 1 246 . 1 1 66 66 ASN N N 15 125.051 0.2 . 1 . . . . 64 ASN N . 19247 1 247 . 1 1 66 66 ASN ND2 N 15 113.543 0.2 . 1 . . . . 64 ASN ND2 . 19247 1 248 . 1 1 67 67 ALA H H 1 8.349 0.01 . 1 . . . . 65 ALA H . 19247 1 249 . 1 1 67 67 ALA CA C 13 50.116 0.1 . 1 . . . . 65 ALA CA . 19247 1 250 . 1 1 67 67 ALA CB C 13 21.550 0.1 . 1 . . . . 65 ALA CB . 19247 1 251 . 1 1 67 67 ALA N N 15 121.571 0.2 . 1 . . . . 65 ALA N . 19247 1 252 . 1 1 68 68 LYS H H 1 8.538 0.01 . 1 . . . . 66 LYS H . 19247 1 253 . 1 1 68 68 LYS CA C 13 58.672 0.1 . 1 . . . . 66 LYS CA . 19247 1 254 . 1 1 68 68 LYS CB C 13 32.495 0.1 . 1 . . . . 66 LYS CB . 19247 1 255 . 1 1 68 68 LYS N N 15 125.305 0.2 . 1 . . . . 66 LYS N . 19247 1 256 . 1 1 69 69 GLY H H 1 8.806 0.01 . 1 . . . . 67 GLY H . 19247 1 257 . 1 1 69 69 GLY CA C 13 45.134 0.1 . 1 . . . . 67 GLY CA . 19247 1 258 . 1 1 69 69 GLY N N 15 113.913 0.2 . 1 . . . . 67 GLY N . 19247 1 259 . 1 1 70 70 GLU H H 1 7.183 0.01 . 1 . . . . 68 GLU H . 19247 1 260 . 1 1 70 70 GLU CA C 13 58.183 0.1 . 1 . . . . 68 GLU CA . 19247 1 261 . 1 1 70 70 GLU CB C 13 32.332 0.1 . 1 . . . . 68 GLU CB . 19247 1 262 . 1 1 70 70 GLU N N 15 120.264 0.2 . 1 . . . . 68 GLU N . 19247 1 263 . 1 1 71 71 THR H H 1 8.382 0.01 . 9 . . . . 69 THR H . 19247 1 264 . 1 1 71 71 THR CA C 13 59.483 0.1 . 9 . . . . 69 THR CA . 19247 1 265 . 1 1 71 71 THR CB C 13 73.636 0.1 . 9 . . . . 69 THR CB . 19247 1 266 . 1 1 71 71 THR N N 15 111.163 0.2 . 9 . . . . 69 THR N . 19247 1 267 . 1 1 72 72 PHE H H 1 8.632 0.01 . 9 . . . . 70 PHE H . 19247 1 268 . 1 1 72 72 PHE CA C 13 57.888 0.1 . 9 . . . . 70 PHE CA . 19247 1 269 . 1 1 72 72 PHE CB C 13 43.721 0.1 . 9 . . . . 70 PHE CB . 19247 1 270 . 1 1 72 72 PHE N N 15 121.117 0.2 . 9 . . . . 70 PHE N . 19247 1 271 . 1 1 73 73 GLU H H 1 7.826 0.01 . 9 . . . . 71 GLU H . 19247 1 272 . 1 1 73 73 GLU CA C 13 54.012 0.1 . 9 . . . . 71 GLU CA . 19247 1 273 . 1 1 73 73 GLU CB C 13 32.757 0.1 . 9 . . . . 71 GLU CB . 19247 1 274 . 1 1 73 73 GLU N N 15 126.571 0.2 . 9 . . . . 71 GLU N . 19247 1 275 . 1 1 74 74 VAL H H 1 8.509 0.01 . 9 . . . . 72 VAL H . 19247 1 276 . 1 1 74 74 VAL CA C 13 60.243 0.1 . 9 . . . . 72 VAL CA . 19247 1 277 . 1 1 74 74 VAL CB C 13 35.506 0.1 . 9 . . . . 72 VAL CB . 19247 1 278 . 1 1 74 74 VAL N N 15 120.216 0.2 . 9 . . . . 72 VAL N . 19247 1 279 . 1 1 75 75 ALA H H 1 8.235 0.01 . 1 . . . . 73 ALA H . 19247 1 280 . 1 1 75 75 ALA CA C 13 50.393 0.1 . 1 . . . . 73 ALA CA . 19247 1 281 . 1 1 75 75 ALA CB C 13 20.611 0.1 . 1 . . . . 73 ALA CB . 19247 1 282 . 1 1 75 75 ALA N N 15 129.277 0.2 . 1 . . . . 73 ALA N . 19247 1 283 . 1 1 76 76 LEU H H 1 7.595 0.01 . 9 . . . . 74 LEU H . 19247 1 284 . 1 1 76 76 LEU CA C 13 53.459 0.1 . 9 . . . . 74 LEU CA . 19247 1 285 . 1 1 76 76 LEU CB C 13 43.462 0.1 . 9 . . . . 74 LEU CB . 19247 1 286 . 1 1 76 76 LEU N N 15 120.661 0.2 . 9 . . . . 74 LEU N . 19247 1 287 . 1 1 77 77 SER H H 1 8.685 0.01 . 1 . . . . 75 SER H . 19247 1 288 . 1 1 77 77 SER CA C 13 59.705 0.1 . 1 . . . . 75 SER CA . 19247 1 289 . 1 1 77 77 SER CB C 13 64.976 0.1 . 1 . . . . 75 SER CB . 19247 1 290 . 1 1 77 77 SER N N 15 115.564 0.2 . 1 . . . . 75 SER N . 19247 1 291 . 1 1 78 78 ASN H H 1 7.901 0.01 . 1 . . . . 76 ASN H . 19247 1 292 . 1 1 78 78 ASN CA C 13 53.955 0.1 . 1 . . . . 76 ASN CA . 19247 1 293 . 1 1 78 78 ASN CB C 13 37.542 0.1 . 1 . . . . 76 ASN CB . 19247 1 294 . 1 1 78 78 ASN N N 15 120.283 0.2 . 1 . . . . 76 ASN N . 19247 1 295 . 1 1 79 79 LYS H H 1 8.726 0.01 . 1 . . . . 77 LYS H . 19247 1 296 . 1 1 79 79 LYS CA C 13 58.096 0.1 . 1 . . . . 77 LYS CA . 19247 1 297 . 1 1 79 79 LYS CB C 13 33.510 0.1 . 1 . . . . 77 LYS CB . 19247 1 298 . 1 1 79 79 LYS N N 15 124.846 0.2 . 1 . . . . 77 LYS N . 19247 1 299 . 1 1 80 80 GLY H H 1 8.683 0.01 . 9 . . . . 78 GLY H . 19247 1 300 . 1 1 80 80 GLY CA C 13 43.705 0.1 . 9 . . . . 78 GLY CA . 19247 1 301 . 1 1 80 80 GLY N N 15 108.545 0.2 . 9 . . . . 78 GLY N . 19247 1 302 . 1 1 81 81 GLU H H 1 8.224 0.01 . 1 . . . . 79 GLU H . 19247 1 303 . 1 1 81 81 GLU CA C 13 56.043 0.1 . 1 . . . . 79 GLU CA . 19247 1 304 . 1 1 81 81 GLU CB C 13 31.997 0.1 . 1 . . . . 79 GLU CB . 19247 1 305 . 1 1 81 81 GLU N N 15 119.480 0.2 . 1 . . . . 79 GLU N . 19247 1 306 . 1 1 82 82 TYR H H 1 9.513 0.01 . 1 . . . . 80 TYR H . 19247 1 307 . 1 1 82 82 TYR CA C 13 56.546 0.1 . 1 . . . . 80 TYR CA . 19247 1 308 . 1 1 82 82 TYR CB C 13 39.778 0.1 . 1 . . . . 80 TYR CB . 19247 1 309 . 1 1 82 82 TYR N N 15 122.951 0.2 . 1 . . . . 80 TYR N . 19247 1 310 . 1 1 83 83 SER H H 1 8.268 0.01 . 1 . . . . 81 SER H . 19247 1 311 . 1 1 83 83 SER CA C 13 58.369 0.1 . 1 . . . . 81 SER CA . 19247 1 312 . 1 1 83 83 SER CB C 13 64.760 0.1 . 1 . . . . 81 SER CB . 19247 1 313 . 1 1 83 83 SER N N 15 119.025 0.2 . 1 . . . . 81 SER N . 19247 1 314 . 1 1 84 84 PHE H H 1 7.978 0.01 . 1 . . . . 82 PHE H . 19247 1 315 . 1 1 84 84 PHE CA C 13 55.108 0.1 . 1 . . . . 82 PHE CA . 19247 1 316 . 1 1 84 84 PHE CB C 13 41.152 0.1 . 1 . . . . 82 PHE CB . 19247 1 317 . 1 1 84 84 PHE N N 15 120.151 0.2 . 1 . . . . 82 PHE N . 19247 1 318 . 1 1 85 85 TYR H H 1 9.183 0.01 . 1 . . . . 83 TYR H . 19247 1 319 . 1 1 85 85 TYR CA C 13 56.128 0.1 . 1 . . . . 83 TYR CA . 19247 1 320 . 1 1 85 85 TYR CB C 13 41.213 0.1 . 1 . . . . 83 TYR CB . 19247 1 321 . 1 1 85 85 TYR N N 15 115.679 0.2 . 1 . . . . 83 TYR N . 19247 1 322 . 1 1 86 86 CYS H H 1 7.804 0.01 . 1 . . . . 84 CYS H . 19247 1 323 . 1 1 86 86 CYS CA C 13 56.227 0.1 . 1 . . . . 84 CYS CA . 19247 1 324 . 1 1 86 86 CYS CB C 13 29.468 0.1 . 1 . . . . 84 CYS CB . 19247 1 325 . 1 1 86 86 CYS N N 15 121.558 0.2 . 1 . . . . 84 CYS N . 19247 1 326 . 1 1 87 87 SER H H 1 10.226 0.01 . 1 . . . . 85 SER H . 19247 1 327 . 1 1 87 87 SER CA C 13 64.804 0.1 . 1 . . . . 85 SER CA . 19247 1 328 . 1 1 87 87 SER CB C 13 61.346 0.1 . 1 . . . . 85 SER CB . 19247 1 329 . 1 1 87 87 SER N N 15 126.858 0.2 . 1 . . . . 85 SER N . 19247 1 330 . 1 1 88 88 PRO CA C 13 65.143 0.1 . 1 . . . . 86 PRO CA . 19247 1 331 . 1 1 88 88 PRO CB C 13 30.364 0.1 . 1 . . . . 86 PRO CB . 19247 1 332 . 1 1 89 89 HIS H H 1 7.189 0.01 . 1 . . . . 87 HIS H . 19247 1 333 . 1 1 89 89 HIS CA C 13 54.112 0.1 . 1 . . . . 87 HIS CA . 19247 1 334 . 1 1 89 89 HIS CB C 13 34.882 0.1 . 1 . . . . 87 HIS CB . 19247 1 335 . 1 1 89 89 HIS N N 15 112.823 0.2 . 1 . . . . 87 HIS N . 19247 1 336 . 1 1 90 90 GLN H H 1 7.982 0.01 . 1 . . . . 88 GLN H . 19247 1 337 . 1 1 90 90 GLN HE21 H 1 6.731 0.01 . 2 . . . . 88 GLN HE21 . 19247 1 338 . 1 1 90 90 GLN HE22 H 1 6.189 0.01 . 2 . . . . 88 GLN HE22 . 19247 1 339 . 1 1 90 90 GLN CA C 13 60.882 0.1 . 1 . . . . 88 GLN CA . 19247 1 340 . 1 1 90 90 GLN CB C 13 28.550 0.1 . 1 . . . . 88 GLN CB . 19247 1 341 . 1 1 90 90 GLN N N 15 115.395 0.2 . 1 . . . . 88 GLN N . 19247 1 342 . 1 1 90 90 GLN NE2 N 15 110.786 0.2 . 1 . . . . 88 GLN NE2 . 19247 1 343 . 1 1 91 91 GLY H H 1 8.964 0.01 . 1 . . . . 89 GLY H . 19247 1 344 . 1 1 91 91 GLY CA C 13 46.307 0.1 . 1 . . . . 89 GLY CA . 19247 1 345 . 1 1 91 91 GLY N N 15 108.839 0.2 . 1 . . . . 89 GLY N . 19247 1 346 . 1 1 92 92 ALA H H 1 7.296 0.01 . 1 . . . . 90 ALA H . 19247 1 347 . 1 1 92 92 ALA CA C 13 51.443 0.1 . 1 . . . . 90 ALA CA . 19247 1 348 . 1 1 92 92 ALA CB C 13 19.119 0.1 . 1 . . . . 90 ALA CB . 19247 1 349 . 1 1 92 92 ALA N N 15 121.585 0.2 . 1 . . . . 90 ALA N . 19247 1 350 . 1 1 93 93 GLY H H 1 7.829 0.01 . 1 . . . . 91 GLY H . 19247 1 351 . 1 1 93 93 GLY CA C 13 45.357 0.1 . 1 . . . . 91 GLY CA . 19247 1 352 . 1 1 93 93 GLY N N 15 110.686 0.2 . 1 . . . . 91 GLY N . 19247 1 353 . 1 1 94 94 MET H H 1 7.758 0.01 . 1 . . . . 92 MET H . 19247 1 354 . 1 1 94 94 MET CA C 13 56.889 0.1 . 1 . . . . 92 MET CA . 19247 1 355 . 1 1 94 94 MET CB C 13 30.379 0.1 . 1 . . . . 92 MET CB . 19247 1 356 . 1 1 94 94 MET N N 15 121.849 0.2 . 1 . . . . 92 MET N . 19247 1 357 . 1 1 95 95 VAL H H 1 8.016 0.01 . 1 . . . . 93 VAL H . 19247 1 358 . 1 1 95 95 VAL CA C 13 58.742 0.1 . 1 . . . . 93 VAL CA . 19247 1 359 . 1 1 95 95 VAL CB C 13 35.986 0.1 . 1 . . . . 93 VAL CB . 19247 1 360 . 1 1 95 95 VAL N N 15 121.870 0.2 . 1 . . . . 93 VAL N . 19247 1 361 . 1 1 96 96 GLY H H 1 8.258 0.01 . 1 . . . . 94 GLY H . 19247 1 362 . 1 1 96 96 GLY CA C 13 45.220 0.1 . 1 . . . . 94 GLY CA . 19247 1 363 . 1 1 96 96 GLY N N 15 112.491 0.2 . 1 . . . . 94 GLY N . 19247 1 364 . 1 1 97 97 LYS H H 1 8.394 0.01 . 1 . . . . 95 LYS H . 19247 1 365 . 1 1 97 97 LYS CA C 13 55.788 0.1 . 1 . . . . 95 LYS CA . 19247 1 366 . 1 1 97 97 LYS CB C 13 36.670 0.1 . 1 . . . . 95 LYS CB . 19247 1 367 . 1 1 97 97 LYS N N 15 120.037 0.2 . 1 . . . . 95 LYS N . 19247 1 368 . 1 1 98 98 VAL H H 1 9.022 0.01 . 1 . . . . 96 VAL H . 19247 1 369 . 1 1 98 98 VAL CA C 13 56.907 0.1 . 1 . . . . 96 VAL CA . 19247 1 370 . 1 1 98 98 VAL CB C 13 33.502 0.1 . 1 . . . . 96 VAL CB . 19247 1 371 . 1 1 98 98 VAL N N 15 122.497 0.2 . 1 . . . . 96 VAL N . 19247 1 372 . 1 1 99 99 THR H H 1 8.244 0.01 . 1 . . . . 97 THR H . 19247 1 373 . 1 1 99 99 THR CA C 13 61.770 0.1 . 1 . . . . 97 THR CA . 19247 1 374 . 1 1 99 99 THR CB C 13 70.286 0.1 . 1 . . . . 97 THR CB . 19247 1 375 . 1 1 99 99 THR N N 15 124.734 0.2 . 1 . . . . 97 THR N . 19247 1 376 . 1 1 100 100 VAL H H 1 9.236 0.01 . 1 . . . . 98 VAL H . 19247 1 377 . 1 1 100 100 VAL CA C 13 60.945 0.1 . 1 . . . . 98 VAL CA . 19247 1 378 . 1 1 100 100 VAL CB C 13 31.571 0.1 . 1 . . . . 98 VAL CB . 19247 1 379 . 1 1 100 100 VAL N N 15 129.027 0.2 . 1 . . . . 98 VAL N . 19247 1 380 . 1 1 101 101 ASN H H 1 8.648 0.01 . 1 . . . . 99 ASN H . 19247 1 381 . 1 1 101 101 ASN HD21 H 1 7.418 0.01 . 2 . . . . 99 ASN HD21 . 19247 1 382 . 1 1 101 101 ASN HD22 H 1 6.683 0.01 . 2 . . . . 99 ASN HD22 . 19247 1 383 . 1 1 101 101 ASN CA C 13 55.421 0.1 . 1 . . . . 99 ASN CA . 19247 1 384 . 1 1 101 101 ASN CB C 13 42.042 0.1 . 1 . . . . 99 ASN CB . 19247 1 385 . 1 1 101 101 ASN N N 15 132.462 0.2 . 1 . . . . 99 ASN N . 19247 1 386 . 1 1 101 101 ASN ND2 N 15 112.230 0.2 . 1 . . . . 99 ASN ND2 . 19247 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19247 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Estimated from the spectral resolution after zero filling.' _Assigned_chem_shift_list.Details ; Some residues have double resonances due to partially processed N-terminal methionine. Side chain resonance assignments were taken from the following reference: Christian Lange et al. Biochimica et Biophysica Acta 1707 (2005)179-188. ; _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 '3D HNCACB' . . . 19247 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 . 1 1 3 3 ILE CA C 13 59.731 0.1 . 9 . . . . 1 ILE CA . 19247 2 2 . 1 1 3 3 ILE CB C 13 40.898 0.1 . 9 . . . . 1 ILE CB . 19247 2 3 . 1 1 4 4 ASP H H 1 7.793 0.01 . 9 . . . . 2 ASP H . 19247 2 4 . 1 1 4 4 ASP CA C 13 52.866 0.1 . 9 . . . . 2 ASP CA . 19247 2 5 . 1 1 4 4 ASP CB C 13 42.052 0.1 . 9 . . . . 2 ASP CB . 19247 2 6 . 1 1 4 4 ASP N N 15 126.557 0.2 . 9 . . . . 2 ASP N . 19247 2 7 . 1 1 5 5 VAL H H 1 8.810 0.01 . 9 . . . . 3 VAL H . 19247 2 8 . 1 1 5 5 VAL CA C 13 60.624 0.1 . 9 . . . . 3 VAL CA . 19247 2 9 . 1 1 5 5 VAL CB C 13 34.860 0.1 . 9 . . . . 3 VAL CB . 19247 2 10 . 1 1 5 5 VAL N N 15 124.473 0.2 . 9 . . . . 3 VAL N . 19247 2 11 . 1 1 22 22 SER H H 1 8.592 0.01 . 9 . . . . 20 SER H . 19247 2 12 . 1 1 22 22 SER CA C 13 56.744 0.1 . 9 . . . . 20 SER CA . 19247 2 13 . 1 1 22 22 SER CB C 13 66.301 0.1 . 9 . . . . 20 SER CB . 19247 2 14 . 1 1 22 22 SER N N 15 115.606 0.2 . 9 . . . . 20 SER N . 19247 2 15 . 1 1 23 23 ILE CA C 13 59.708 0.1 . 9 . . . . 21 ILE CA . 19247 2 16 . 1 1 23 23 ILE CB C 13 43.036 0.1 . 9 . . . . 21 ILE CB . 19247 2 17 . 1 1 24 24 SER H H 1 8.406 0.01 . 9 . . . . 22 SER H . 19247 2 18 . 1 1 24 24 SER CA C 13 56.786 0.1 . 9 . . . . 22 SER CA . 19247 2 19 . 1 1 24 24 SER CB C 13 63.291 0.1 . 9 . . . . 22 SER CB . 19247 2 20 . 1 1 24 24 SER N N 15 117.743 0.2 . 9 . . . . 22 SER N . 19247 2 21 . 1 1 25 25 PRO CA C 13 64.389 0.1 . 9 . . . . 23 PRO CA . 19247 2 22 . 1 1 25 25 PRO CB C 13 31.488 0.1 . 9 . . . . 23 PRO CB . 19247 2 23 . 1 1 26 26 GLY H H 1 9.216 0.01 . 9 . . . . 24 GLY H . 19247 2 24 . 1 1 26 26 GLY CA C 13 44.977 0.1 . 9 . . . . 24 GLY CA . 19247 2 25 . 1 1 26 26 GLY N N 15 113.639 0.2 . 9 . . . . 24 GLY N . 19247 2 26 . 1 1 27 27 GLU H H 1 7.655 0.01 . 9 . . . . 25 GLU H . 19247 2 27 . 1 1 27 27 GLU CA C 13 56.991 0.1 . 9 . . . . 25 GLU CA . 19247 2 28 . 1 1 27 27 GLU CB C 13 31.063 0.1 . 9 . . . . 25 GLU CB . 19247 2 29 . 1 1 27 27 GLU N N 15 122.031 0.2 . 9 . . . . 25 GLU N . 19247 2 30 . 1 1 28 28 LYS H H 1 7.981 0.01 . 9 . . . . 26 LYS H . 19247 2 31 . 1 1 28 28 LYS CA C 13 56.195 0.1 . 9 . . . . 26 LYS CA . 19247 2 32 . 1 1 28 28 LYS CB C 13 33.986 0.1 . 9 . . . . 26 LYS CB . 19247 2 33 . 1 1 28 28 LYS N N 15 120.767 0.2 . 9 . . . . 26 LYS N . 19247 2 34 . 1 1 29 29 ILE H H 1 8.867 0.01 . 9 . . . . 27 ILE H . 19247 2 35 . 1 1 29 29 ILE CA C 13 60.343 0.1 . 9 . . . . 27 ILE CA . 19247 2 36 . 1 1 29 29 ILE CB C 13 39.643 0.1 . 9 . . . . 27 ILE CB . 19247 2 37 . 1 1 29 29 ILE N N 15 125.962 0.2 . 9 . . . . 27 ILE N . 19247 2 38 . 1 1 30 30 VAL H H 1 8.468 0.01 . 9 . . . . 28 VAL H . 19247 2 39 . 1 1 30 30 VAL CA C 13 61.645 0.1 . 9 . . . . 28 VAL CA . 19247 2 40 . 1 1 30 30 VAL CB C 13 31.394 0.1 . 9 . . . . 28 VAL CB . 19247 2 41 . 1 1 30 30 VAL N N 15 126.622 0.2 . 9 . . . . 28 VAL N . 19247 2 42 . 1 1 32 32 LYS H H 1 9.173 0.01 . 9 . . . . 30 LYS H . 19247 2 43 . 1 1 32 32 LYS CA C 13 54.839 0.1 . 9 . . . . 30 LYS CA . 19247 2 44 . 1 1 32 32 LYS CB C 13 35.191 0.1 . 9 . . . . 30 LYS CB . 19247 2 45 . 1 1 32 32 LYS N N 15 123.160 0.2 . 9 . . . . 30 LYS N . 19247 2 46 . 1 1 59 59 MET H H 1 8.213 0.01 . 9 . . . . 57 MET H . 19247 2 47 . 1 1 59 59 MET CA C 13 56.750 0.1 . 9 . . . . 57 MET CA . 19247 2 48 . 1 1 59 59 MET CB C 13 33.548 0.1 . 9 . . . . 57 MET CB . 19247 2 49 . 1 1 59 59 MET N N 15 122.813 0.2 . 9 . . . . 57 MET N . 19247 2 50 . 1 1 71 71 THR H H 1 8.373 0.01 . 9 . . . . 69 THR H . 19247 2 51 . 1 1 71 71 THR CA C 13 59.381 0.1 . 9 . . . . 69 THR CA . 19247 2 52 . 1 1 71 71 THR CB C 13 73.687 0.1 . 9 . . . . 69 THR CB . 19247 2 53 . 1 1 71 71 THR N N 15 110.943 0.2 . 9 . . . . 69 THR N . 19247 2 54 . 1 1 72 72 PHE H H 1 8.661 0.01 . 9 . . . . 70 PHE H . 19247 2 55 . 1 1 72 72 PHE CA C 13 57.872 0.1 . 9 . . . . 70 PHE CA . 19247 2 56 . 1 1 72 72 PHE CB C 13 43.784 0.1 . 9 . . . . 70 PHE CB . 19247 2 57 . 1 1 72 72 PHE N N 15 121.041 0.2 . 9 . . . . 70 PHE N . 19247 2 58 . 1 1 73 73 GLU H H 1 7.789 0.01 . 9 . . . . 71 GLU H . 19247 2 59 . 1 1 73 73 GLU CA C 13 54.006 0.1 . 9 . . . . 71 GLU CA . 19247 2 60 . 1 1 73 73 GLU CB C 13 32.746 0.1 . 9 . . . . 71 GLU CB . 19247 2 61 . 1 1 73 73 GLU N N 15 126.573 0.2 . 9 . . . . 71 GLU N . 19247 2 62 . 1 1 74 74 VAL H H 1 8.568 0.01 . 9 . . . . 72 VAL H . 19247 2 63 . 1 1 74 74 VAL CA C 13 60.214 0.1 . 9 . . . . 72 VAL CA . 19247 2 64 . 1 1 74 74 VAL CB C 13 35.526 0.1 . 9 . . . . 72 VAL CB . 19247 2 65 . 1 1 74 74 VAL N N 15 120.459 0.2 . 9 . . . . 72 VAL N . 19247 2 66 . 1 1 76 76 LEU H H 1 7.556 0.01 . 9 . . . . 74 LEU H . 19247 2 67 . 1 1 76 76 LEU CA C 13 53.358 0.1 . 9 . . . . 74 LEU CA . 19247 2 68 . 1 1 76 76 LEU CB C 13 43.487 0.1 . 9 . . . . 74 LEU CB . 19247 2 69 . 1 1 76 76 LEU N N 15 120.616 0.2 . 9 . . . . 74 LEU N . 19247 2 70 . 1 1 80 80 GLY H H 1 8.745 0.01 . 9 . . . . 78 GLY H . 19247 2 71 . 1 1 80 80 GLY CA C 13 43.699 0.1 . 9 . . . . 78 GLY CA . 19247 2 72 . 1 1 80 80 GLY N N 15 108.538 0.2 . 9 . . . . 78 GLY N . 19247 2 stop_ save_