data_16512 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16512 _Entry.Title ; NMR chemical shift of synaptobrevin fragment 60-116 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-23 _Entry.Accession_date 2009-09-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jeffrey Ellena . F. . 16512 2 Binyong Liang . . . 16512 3 Maciej Wiktor . . . 16512 4 Alexander Stein . . . 16512 5 David Cafiso . S. . 16512 6 Reinhard Jahn . . . 16512 7 Lukas Tamm . K. . 16512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 151 16512 '15N chemical shifts' 55 16512 '1H chemical shifts' 200 16512 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 . . 2010-01-20 2009-09-23 update BMRB 'complete entry citation' 16512 1 . . 2009-10-05 2009-09-23 original author 'original release' 16512 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16512 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19918058 _Citation.Full_citation . _Citation.Title 'Dynamic structure of lipid-bound synaptobrevin suggests a nucleation-propagation mechanism for trans-SNARE complex formation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 106 _Citation.Journal_issue 48 _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 20306 _Citation.Page_last 20311 _Citation.Year 2009 _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 Jeffrey Ellena . F. . 16512 1 2 Binyong Liang . . . 16512 1 3 Maciej Wiktor . . . 16512 1 4 Alexander Stein . . . 16512 1 5 David Cafiso . S. . 16512 1 6 Reinhard Jahn . . . 16512 1 7 Lukas Tamm . K. . 16512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16512 _Assembly.ID 1 _Assembly.Name syb60-116 _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 . _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 syb60-116 1 $syb60-116 A . yes native no no . . . 16512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_syb60-116 _Entity.Sf_category entity _Entity.Sf_framecode syb60-116 _Entity.Entry_ID 16512 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name syb60-116 _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 ; LSELDDRADALQAGASQFET SAAKLKRKYWWKNLKMMIIL GVICAIILIIIIVYFST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16508 . synaptobrevin . . . . . 100.00 116 100.00 100.00 6.03e-32 . . . . 16512 1 2 no BMRB 16514 . syb96 . . . . . 64.91 96 100.00 100.00 4.25e-17 . . . . 16512 1 3 no BMRB 4272 . synaptobrevinII . . . . . 64.91 96 100.00 100.00 4.25e-17 . . . . 16512 1 4 no PDB 1KIL . "Three-Dimensional Structure Of The ComplexinSNARE COMPLEX" . . . . . 57.89 66 100.00 100.00 3.12e-14 . . . . 16512 1 5 no PDB 1N7S . "High Resolution Structure Of A Truncated Neuronal Snare Complex" . . . . . 52.63 63 100.00 100.00 2.35e-11 . . . . 16512 1 6 no PDB 1SFC . "Neuronal Synaptic Fusion Complex" . . . . . 64.91 96 100.00 100.00 4.25e-17 . . . . 16512 1 7 no PDB 2KOG . "Lipid-Bound Synaptobrevin Solution Nmr Structure" . . . . . 100.00 119 100.00 100.00 5.81e-32 . . . . 16512 1 8 no PDB 2N1T . "Dynamic Binding Mode Of A Synaptotagmin-1-snare Complex In Solution" . . . . . 59.65 69 100.00 100.00 6.33e-15 . . . . 16512 1 9 no PDB 3HD7 . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup C 1 2 1" . . . . . 100.00 91 100.00 100.00 2.17e-31 . . . . 16512 1 10 no PDB 3IPD . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup I 21 21 21" . . . . . 100.00 91 100.00 100.00 2.17e-31 . . . . 16512 1 11 no PDB 3J96 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state I)" . . . . . 52.63 63 100.00 100.00 2.35e-11 . . . . 16512 1 12 no PDB 3J97 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Ii)" . . . . . 52.63 63 100.00 100.00 2.35e-11 . . . . 16512 1 13 no PDB 3J98 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiia)" . . . . . 52.63 63 100.00 100.00 2.35e-11 . . . . 16512 1 14 no PDB 3J99 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiib)" . . . . . 52.63 63 100.00 100.00 2.35e-11 . . . . 16512 1 15 no PDB 5CCG . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (long Unit Cell Form)" . . . . . 52.63 63 100.00 100.00 2.35e-11 . . . . 16512 1 16 no PDB 5CCH . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 52.63 63 100.00 100.00 2.35e-11 . . . . 16512 1 17 no PDB 5CCI . "Structure Of The Mg2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 52.63 63 100.00 100.00 2.35e-11 . . . . 16512 1 18 no DBJ BAC34586 . "unnamed protein product [Mus musculus]" . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 19 no DBJ BAC34723 . "unnamed protein product [Mus musculus]" . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 20 no DBJ BAC41125 . "unnamed protein product [Mus musculus]" . . . . . 100.00 116 100.00 100.00 6.03e-32 . . . . 16512 1 21 no DBJ BAE38479 . "unnamed protein product [Mus musculus]" . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 22 no DBJ BAE40328 . "unnamed protein product [Mus musculus]" . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 23 no EMBL CAA12385 . "vesicle associated membrane protein 2 [Homo sapiens]" . . . . . 100.00 116 98.25 100.00 1.88e-31 . . . . 16512 1 24 no EMBL CAA53792 . "synaptobrevin [Bos taurus]" . . . . . 100.00 116 98.25 100.00 1.88e-31 . . . . 16512 1 25 no EMBL CAJ81663 . "vesicle-associated membrane protein 3 [Xenopus (Silurana) tropicalis]" . . . . . 63.16 101 97.22 97.22 4.56e-15 . . . . 16512 1 26 no GB AAA42321 . "vesicle associated membrane protein VAMP-2 [Rattus norvegicus]" . . . . . 100.00 116 100.00 100.00 6.03e-32 . . . . 16512 1 27 no GB AAA60604 . "synaptobrevin 2 (SYB2) [Homo sapiens]" . . . . . 100.00 116 98.25 100.00 1.88e-31 . . . . 16512 1 28 no GB AAB03463 . "VAMP-2 [Mus musculus]" . . . . . 100.00 116 100.00 100.00 6.03e-32 . . . . 16512 1 29 no GB AAB03490 . "cellubrevin [Mus musculus]" . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 30 no GB AAB27554 . "cellubrevin [Rattus sp.]" . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 31 no PRF 1918358A . cellubrevin . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 32 no REF NP_001016972 . "vesicle-associated membrane protein 3 [Xenopus (Silurana) tropicalis]" . . . . . 63.16 101 97.22 97.22 4.56e-15 . . . . 16512 1 33 no REF NP_001027992 . "vesicle-associated membrane protein 2 [Macaca mulatta]" . . . . . 100.00 116 100.00 100.00 5.35e-32 . . . . 16512 1 34 no REF NP_001034578 . "vesicle-associated membrane protein 3 [Gallus gallus]" . . . . . 63.16 104 97.22 97.22 3.28e-15 . . . . 16512 1 35 no REF NP_001039380 . "vesicle-associated membrane protein 3 [Bos taurus]" . . . . . 63.16 104 97.22 97.22 4.41e-15 . . . . 16512 1 36 no REF NP_001088233 . "vesicle-associated membrane protein 1 (synaptobrevin 1) [Xenopus laevis]" . . . . . 63.16 101 97.22 97.22 4.61e-15 . . . . 16512 1 37 no SP P63024 . "RecName: Full=Vesicle-associated membrane protein 3; Short=VAMP-3; AltName: Full=Cellubrevin; Short=CEB; AltName: Full=Synaptob" . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 38 no SP P63025 . "RecName: Full=Vesicle-associated membrane protein 3; Short=VAMP-3; AltName: Full=Cellubrevin; Short=CEB; AltName: Full=Synaptob" . . . . . 63.16 103 97.22 97.22 4.01e-15 . . . . 16512 1 39 no SP P63026 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 98.25 100.00 1.88e-31 . . . . 16512 1 40 no SP P63027 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 100.00 100.00 5.35e-32 . . . . 16512 1 41 no SP P63044 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 100.00 100.00 6.03e-32 . . . . 16512 1 42 no TPG DAA18807 . "TPA: vesicle-associated membrane protein 2 [Bos taurus]" . . . . . 100.00 116 98.25 100.00 1.88e-31 . . . . 16512 1 43 no TPG DAA21271 . "TPA: vesicle-associated membrane protein 3 [Bos taurus]" . . . . . 63.16 104 97.22 97.22 4.41e-15 . . . . 16512 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 . LEU . 16512 1 2 . SER . 16512 1 3 . GLU . 16512 1 4 . LEU . 16512 1 5 . ASP . 16512 1 6 . ASP . 16512 1 7 . ARG . 16512 1 8 . ALA . 16512 1 9 . ASP . 16512 1 10 . ALA . 16512 1 11 . LEU . 16512 1 12 . GLN . 16512 1 13 . ALA . 16512 1 14 . GLY . 16512 1 15 . ALA . 16512 1 16 . SER . 16512 1 17 . GLN . 16512 1 18 . PHE . 16512 1 19 . GLU . 16512 1 20 . THR . 16512 1 21 . SER . 16512 1 22 . ALA . 16512 1 23 . ALA . 16512 1 24 . LYS . 16512 1 25 . LEU . 16512 1 26 . LYS . 16512 1 27 . ARG . 16512 1 28 . LYS . 16512 1 29 . TYR . 16512 1 30 . TRP . 16512 1 31 . TRP . 16512 1 32 . LYS . 16512 1 33 . ASN . 16512 1 34 . LEU . 16512 1 35 . LYS . 16512 1 36 . MET . 16512 1 37 . MET . 16512 1 38 . ILE . 16512 1 39 . ILE . 16512 1 40 . LEU . 16512 1 41 . GLY . 16512 1 42 . VAL . 16512 1 43 . ILE . 16512 1 44 . CYS . 16512 1 45 . ALA . 16512 1 46 . ILE . 16512 1 47 . ILE . 16512 1 48 . LEU . 16512 1 49 . ILE . 16512 1 50 . ILE . 16512 1 51 . ILE . 16512 1 52 . ILE . 16512 1 53 . VAL . 16512 1 54 . TYR . 16512 1 55 . PHE . 16512 1 56 . SER . 16512 1 57 . THR . 16512 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 . LEU 1 1 16512 1 . SER 2 2 16512 1 . GLU 3 3 16512 1 . LEU 4 4 16512 1 . ASP 5 5 16512 1 . ASP 6 6 16512 1 . ARG 7 7 16512 1 . ALA 8 8 16512 1 . ASP 9 9 16512 1 . ALA 10 10 16512 1 . LEU 11 11 16512 1 . GLN 12 12 16512 1 . ALA 13 13 16512 1 . GLY 14 14 16512 1 . ALA 15 15 16512 1 . SER 16 16 16512 1 . GLN 17 17 16512 1 . PHE 18 18 16512 1 . GLU 19 19 16512 1 . THR 20 20 16512 1 . SER 21 21 16512 1 . ALA 22 22 16512 1 . ALA 23 23 16512 1 . LYS 24 24 16512 1 . LEU 25 25 16512 1 . LYS 26 26 16512 1 . ARG 27 27 16512 1 . LYS 28 28 16512 1 . TYR 29 29 16512 1 . TRP 30 30 16512 1 . TRP 31 31 16512 1 . LYS 32 32 16512 1 . ASN 33 33 16512 1 . LEU 34 34 16512 1 . LYS 35 35 16512 1 . MET 36 36 16512 1 . MET 37 37 16512 1 . ILE 38 38 16512 1 . ILE 39 39 16512 1 . LEU 40 40 16512 1 . GLY 41 41 16512 1 . VAL 42 42 16512 1 . ILE 43 43 16512 1 . CYS 44 44 16512 1 . ALA 45 45 16512 1 . ILE 46 46 16512 1 . ILE 47 47 16512 1 . LEU 48 48 16512 1 . ILE 49 49 16512 1 . ILE 50 50 16512 1 . ILE 51 51 16512 1 . ILE 52 52 16512 1 . VAL 53 53 16512 1 . TYR 54 54 16512 1 . PHE 55 55 16512 1 . SER 56 56 16512 1 . THR 57 57 16512 1 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 16512 _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 $syb60-116 . 10116 organism . 'Rattus norvegicus' 'Norway Rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 16512 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 16512 _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 $syb60-116 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 16512 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16512 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 syb60-116 '[U-99% 13C; U-99% 15N]' . . 1 $syb60-116 . . 1 . . mM . . . . 16512 1 2 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 16512 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16512 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16512 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16512 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16512 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16512 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16512 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 16512 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16512 1 pH 6 . pH 16512 1 pressure 1 . atm 16512 1 temperature 318 . K 16512 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16512 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16512 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16512 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 16512 _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 16512 _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 . . . 16512 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 16512 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16512 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16512 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16512 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16512 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16512 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 16512 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16512 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16512 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16512 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 16512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16512 1 2 '3D HNCO' . . . 16512 1 3 '3D HNCA' . . . 16512 1 4 '3D HNCACB' . . . 16512 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 GLU H H 1 8.62 0.02 . 1 . . . . 3 GLU H . 16512 1 2 . 1 1 3 3 GLU HA H 1 4.16 0.02 . 1 . . . . 3 GLU HA . 16512 1 3 . 1 1 3 3 GLU HB2 H 1 1.92 0.02 . 1 . . . . 3 GLU HB2 . 16512 1 4 . 1 1 3 3 GLU HG2 H 1 2.16 0.02 . 1 . . . . 3 GLU HG2 . 16512 1 5 . 1 1 3 3 GLU C C 13 176.3 0.3 . 1 . . . . 3 GLU C . 16512 1 6 . 1 1 3 3 GLU CA C 13 57.2 0.3 . 1 . . . . 3 GLU CA . 16512 1 7 . 1 1 3 3 GLU CB C 13 29.5 0.3 . 1 . . . . 3 GLU CB . 16512 1 8 . 1 1 3 3 GLU N N 15 122.7 0.3 . 1 . . . . 3 GLU N . 16512 1 9 . 1 1 4 4 LEU H H 1 7.98 0.02 . 1 . . . . 4 LEU H . 16512 1 10 . 1 1 4 4 LEU HA H 1 4.21 0.02 . 1 . . . . 4 LEU HA . 16512 1 11 . 1 1 4 4 LEU HB2 H 1 1.50 0.02 . 1 . . . . 4 LEU HB2 . 16512 1 12 . 1 1 4 4 LEU HG H 1 2.24 0.02 . 1 . . . . 4 LEU HG . 16512 1 13 . 1 1 4 4 LEU C C 13 176.8 0.3 . 1 . . . . 4 LEU C . 16512 1 14 . 1 1 4 4 LEU CA C 13 55.2 0.3 . 1 . . . . 4 LEU CA . 16512 1 15 . 1 1 4 4 LEU CB C 13 42.1 0.3 . 1 . . . . 4 LEU CB . 16512 1 16 . 1 1 4 4 LEU N N 15 120.9 0.3 . 1 . . . . 4 LEU N . 16512 1 17 . 1 1 5 5 ASP H H 1 7.89 0.02 . 1 . . . . 5 ASP H . 16512 1 18 . 1 1 5 5 ASP HA H 1 4.46 0.02 . 1 . . . . 5 ASP HA . 16512 1 19 . 1 1 5 5 ASP HB2 H 1 2.60 0.02 . 1 . . . . 5 ASP HB2 . 16512 1 20 . 1 1 5 5 ASP C C 13 175.9 0.3 . 1 . . . . 5 ASP C . 16512 1 21 . 1 1 5 5 ASP CA C 13 54.5 0.3 . 1 . . . . 5 ASP CA . 16512 1 22 . 1 1 5 5 ASP CB C 13 41.2 0.3 . 1 . . . . 5 ASP CB . 16512 1 23 . 1 1 5 5 ASP N N 15 120.3 0.3 . 1 . . . . 5 ASP N . 16512 1 24 . 1 1 6 6 ASP H H 1 8.06 0.02 . 1 . . . . 6 ASP H . 16512 1 25 . 1 1 6 6 ASP HA H 1 4.43 0.02 . 1 . . . . 6 ASP HA . 16512 1 26 . 1 1 6 6 ASP HB2 H 1 2.56 0.02 . 1 . . . . 6 ASP HB2 . 16512 1 27 . 1 1 6 6 ASP C C 13 176.4 0.3 . 1 . . . . 6 ASP C . 16512 1 28 . 1 1 6 6 ASP CA C 13 54.5 0.3 . 1 . . . . 6 ASP CA . 16512 1 29 . 1 1 6 6 ASP CB C 13 40.9 0.3 . 1 . . . . 6 ASP CB . 16512 1 30 . 1 1 6 6 ASP N N 15 120.7 0.3 . 1 . . . . 6 ASP N . 16512 1 31 . 1 1 7 7 ARG H H 1 8.00 0.02 . 1 . . . . 7 ARG H . 16512 1 32 . 1 1 7 7 ARG HA H 1 4.17 0.02 . 1 . . . . 7 ARG HA . 16512 1 33 . 1 1 7 7 ARG HB3 H 1 1.77 0.02 . 1 . . . . 7 ARG HB3 . 16512 1 34 . 1 1 7 7 ARG C C 13 176.4 0.3 . 1 . . . . 7 ARG C . 16512 1 35 . 1 1 7 7 ARG CA C 13 56.2 0.3 . 1 . . . . 7 ARG CA . 16512 1 36 . 1 1 7 7 ARG CB C 13 30.3 0.3 . 1 . . . . 7 ARG CB . 16512 1 37 . 1 1 7 7 ARG N N 15 120.3 0.3 . 1 . . . . 7 ARG N . 16512 1 38 . 1 1 8 8 ALA H H 1 8.05 0.02 . 1 . . . . 8 ALA H . 16512 1 39 . 1 1 8 8 ALA HA H 1 4.13 0.02 . 1 . . . . 8 ALA HA . 16512 1 40 . 1 1 8 8 ALA HB1 H 1 1.30 0.02 . 1 . . . . 8 ALA HB . 16512 1 41 . 1 1 8 8 ALA HB2 H 1 1.30 0.02 . 1 . . . . 8 ALA HB . 16512 1 42 . 1 1 8 8 ALA HB3 H 1 1.30 0.02 . 1 . . . . 8 ALA HB . 16512 1 43 . 1 1 8 8 ALA C C 13 177.8 0.3 . 1 . . . . 8 ALA C . 16512 1 44 . 1 1 8 8 ALA CA C 13 53.2 0.3 . 1 . . . . 8 ALA CA . 16512 1 45 . 1 1 8 8 ALA CB C 13 18.8 0.3 . 1 . . . . 8 ALA CB . 16512 1 46 . 1 1 8 8 ALA N N 15 123.8 0.3 . 1 . . . . 8 ALA N . 16512 1 47 . 1 1 9 9 ASP H H 1 8.06 0.02 . 1 . . . . 9 ASP H . 16512 1 48 . 1 1 9 9 ASP HA H 1 4.40 0.02 . 1 . . . . 9 ASP HA . 16512 1 49 . 1 1 9 9 ASP HB2 H 1 2.55 0.02 . 1 . . . . 9 ASP HB2 . 16512 1 50 . 1 1 9 9 ASP C C 13 176.5 0.3 . 1 . . . . 9 ASP C . 16512 1 51 . 1 1 9 9 ASP CA C 13 54.6 0.3 . 1 . . . . 9 ASP CA . 16512 1 52 . 1 1 9 9 ASP CB C 13 40.7 0.3 . 1 . . . . 9 ASP CB . 16512 1 53 . 1 1 9 9 ASP N N 15 118.4 0.3 . 1 . . . . 9 ASP N . 16512 1 54 . 1 1 10 10 ALA H H 1 7.89 0.02 . 1 . . . . 10 ALA H . 16512 1 55 . 1 1 10 10 ALA HA H 1 4.13 0.02 . 1 . . . . 10 ALA HA . 16512 1 56 . 1 1 10 10 ALA HB1 H 1 1.29 0.02 . 1 . . . . 10 ALA HB . 16512 1 57 . 1 1 10 10 ALA HB2 H 1 1.29 0.02 . 1 . . . . 10 ALA HB . 16512 1 58 . 1 1 10 10 ALA HB3 H 1 1.29 0.02 . 1 . . . . 10 ALA HB . 16512 1 59 . 1 1 10 10 ALA C C 13 178.1 0.3 . 1 . . . . 10 ALA C . 16512 1 60 . 1 1 10 10 ALA CA C 13 53.1 0.3 . 1 . . . . 10 ALA CA . 16512 1 61 . 1 1 10 10 ALA CB C 13 18.9 0.3 . 1 . . . . 10 ALA CB . 16512 1 62 . 1 1 10 10 ALA N N 15 123.2 0.3 . 1 . . . . 10 ALA N . 16512 1 63 . 1 1 11 11 LEU H H 1 7.91 0.02 . 1 . . . . 11 LEU H . 16512 1 64 . 1 1 11 11 LEU HA H 1 4.15 0.02 . 1 . . . . 11 LEU HA . 16512 1 65 . 1 1 11 11 LEU HB2 H 1 1.50 0.02 . 1 . . . . 11 LEU HB2 . 16512 1 66 . 1 1 11 11 LEU C C 13 177.7 0.3 . 1 . . . . 11 LEU C . 16512 1 67 . 1 1 11 11 LEU CA C 13 55.7 0.3 . 1 . . . . 11 LEU CA . 16512 1 68 . 1 1 11 11 LEU CB C 13 41.8 0.3 . 1 . . . . 11 LEU CB . 16512 1 69 . 1 1 11 11 LEU N N 15 119.4 0.3 . 1 . . . . 11 LEU N . 16512 1 70 . 1 1 12 12 GLN H H 1 7.94 0.02 . 1 . . . . 12 GLN H . 16512 1 71 . 1 1 12 12 GLN HA H 1 4.16 0.02 . 1 . . . . 12 GLN HA . 16512 1 72 . 1 1 12 12 GLN HB3 H 1 2.02 0.02 . 1 . . . . 12 GLN HB3 . 16512 1 73 . 1 1 12 12 GLN C C 13 176.0 0.3 . 1 . . . . 12 GLN C . 16512 1 74 . 1 1 12 12 GLN CA C 13 56.0 0.3 . 1 . . . . 12 GLN CA . 16512 1 75 . 1 1 12 12 GLN CB C 13 28.9 0.3 . 1 . . . . 12 GLN CB . 16512 1 76 . 1 1 12 12 GLN N N 15 119.5 0.3 . 1 . . . . 12 GLN N . 16512 1 77 . 1 1 13 13 ALA H H 1 8.03 0.02 . 1 . . . . 13 ALA H . 16512 1 78 . 1 1 13 13 ALA HA H 1 4.16 0.02 . 1 . . . . 13 ALA HA . 16512 1 79 . 1 1 13 13 ALA HB1 H 1 1.30 0.02 . 1 . . . . 13 ALA HB . 16512 1 80 . 1 1 13 13 ALA HB2 H 1 1.30 0.02 . 1 . . . . 13 ALA HB . 16512 1 81 . 1 1 13 13 ALA HB3 H 1 1.30 0.02 . 1 . . . . 13 ALA HB . 16512 1 82 . 1 1 13 13 ALA C C 13 178.3 0.3 . 1 . . . . 13 ALA C . 16512 1 83 . 1 1 13 13 ALA CA C 13 53.0 0.3 . 1 . . . . 13 ALA CA . 16512 1 84 . 1 1 13 13 ALA CB C 13 18.8 0.3 . 1 . . . . 13 ALA CB . 16512 1 85 . 1 1 13 13 ALA N N 15 124.0 0.3 . 1 . . . . 13 ALA N . 16512 1 86 . 1 1 14 14 GLY H H 1 8.14 0.02 . 1 . . . . 14 GLY H . 16512 1 87 . 1 1 14 14 GLY HA2 H 1 3.82 0.02 . 1 . . . . 14 GLY HA2 . 16512 1 88 . 1 1 14 14 GLY C C 13 174.0 0.3 . 1 . . . . 14 GLY C . 16512 1 89 . 1 1 14 14 GLY CA C 13 45.5 0.3 . 1 . . . . 14 GLY CA . 16512 1 90 . 1 1 14 14 GLY N N 15 107.5 0.3 . 1 . . . . 14 GLY N . 16512 1 91 . 1 1 15 15 ALA H H 1 7.95 0.02 . 1 . . . . 15 ALA H . 16512 1 92 . 1 1 15 15 ALA HA H 1 4.21 0.02 . 1 . . . . 15 ALA HA . 16512 1 93 . 1 1 15 15 ALA HB1 H 1 1.33 0.02 . 1 . . . . 15 ALA HB . 16512 1 94 . 1 1 15 15 ALA HB2 H 1 1.33 0.02 . 1 . . . . 15 ALA HB . 16512 1 95 . 1 1 15 15 ALA HB3 H 1 1.33 0.02 . 1 . . . . 15 ALA HB . 16512 1 96 . 1 1 15 15 ALA C C 13 178.0 0.3 . 1 . . . . 15 ALA C . 16512 1 97 . 1 1 15 15 ALA CA C 13 52.8 0.3 . 1 . . . . 15 ALA CA . 16512 1 98 . 1 1 15 15 ALA CB C 13 19.1 0.3 . 1 . . . . 15 ALA CB . 16512 1 99 . 1 1 15 15 ALA N N 15 123.2 0.3 . 1 . . . . 15 ALA N . 16512 1 100 . 1 1 16 16 SER H H 1 8.14 0.02 . 1 . . . . 16 SER H . 16512 1 101 . 1 1 16 16 SER HA H 1 4.32 0.02 . 1 . . . . 16 SER HA . 16512 1 102 . 1 1 16 16 SER HB2 H 1 3.83 0.02 . 1 . . . . 16 SER HB2 . 16512 1 103 . 1 1 16 16 SER C C 13 175.1 0.3 . 1 . . . . 16 SER C . 16512 1 104 . 1 1 16 16 SER CA C 13 58.7 0.3 . 1 . . . . 16 SER CA . 16512 1 105 . 1 1 16 16 SER CB C 13 63.7 0.3 . 1 . . . . 16 SER CB . 16512 1 106 . 1 1 16 16 SER N N 15 114.3 0.3 . 1 . . . . 16 SER N . 16512 1 107 . 1 1 17 17 GLN H H 1 8.25 0.02 . 1 . . . . 17 GLN H . 16512 1 108 . 1 1 17 17 GLN HA H 1 4.11 0.02 . 1 . . . . 17 GLN HA . 16512 1 109 . 1 1 17 17 GLN HB3 H 1 1.87 0.02 . 1 . . . . 17 GLN HB3 . 16512 1 110 . 1 1 17 17 GLN C C 13 176.3 0.3 . 1 . . . . 17 GLN C . 16512 1 111 . 1 1 17 17 GLN CA C 13 56.7 0.3 . 1 . . . . 17 GLN CA . 16512 1 112 . 1 1 17 17 GLN CB C 13 28.7 0.3 . 1 . . . . 17 GLN CB . 16512 1 113 . 1 1 17 17 GLN N N 15 121.7 0.3 . 1 . . . . 17 GLN N . 16512 1 114 . 1 1 18 18 PHE H H 1 8.06 0.02 . 1 . . . . 18 PHE H . 16512 1 115 . 1 1 18 18 PHE HA H 1 4.43 0.02 . 1 . . . . 18 PHE HA . 16512 1 116 . 1 1 18 18 PHE HB3 H 1 3.08 0.02 . 1 . . . . 18 PHE HB3 . 16512 1 117 . 1 1 18 18 PHE C C 13 175.8 0.3 . 1 . . . . 18 PHE C . 16512 1 118 . 1 1 18 18 PHE CA C 13 58.6 0.3 . 1 . . . . 18 PHE CA . 16512 1 119 . 1 1 18 18 PHE CB C 13 39.2 0.3 . 1 . . . . 18 PHE CB . 16512 1 120 . 1 1 18 18 PHE N N 15 119.6 0.3 . 1 . . . . 18 PHE N . 16512 1 121 . 1 1 19 19 GLU H H 1 8.04 0.02 . 1 . . . . 19 GLU H . 16512 1 122 . 1 1 19 19 GLU HA H 1 4.11 0.02 . 1 . . . . 19 GLU HA . 16512 1 123 . 1 1 19 19 GLU HB2 H 1 1.97 0.02 . 1 . . . . 19 GLU HB2 . 16512 1 124 . 1 1 19 19 GLU HG2 H 1 2.16 0.02 . 1 . . . . 19 GLU HG2 . 16512 1 125 . 1 1 19 19 GLU C C 13 177.0 0.3 . 1 . . . . 19 GLU C . 16512 1 126 . 1 1 19 19 GLU CA C 13 57.5 0.3 . 1 . . . . 19 GLU CA . 16512 1 127 . 1 1 19 19 GLU CB C 13 30.1 0.3 . 1 . . . . 19 GLU CB . 16512 1 128 . 1 1 19 19 GLU N N 15 120.8 0.3 . 1 . . . . 19 GLU N . 16512 1 129 . 1 1 20 20 THR H H 1 7.96 0.02 . 1 . . . . 20 THR H . 16512 1 130 . 1 1 20 20 THR HA H 1 4.15 0.02 . 1 . . . . 20 THR HA . 16512 1 131 . 1 1 20 20 THR HB H 1 4.24 0.02 . 1 . . . . 20 THR HB . 16512 1 132 . 1 1 20 20 THR HG21 H 1 1.15 0.02 . 1 . . . . 20 THR HG2 . 16512 1 133 . 1 1 20 20 THR HG22 H 1 1.15 0.02 . 1 . . . . 20 THR HG2 . 16512 1 134 . 1 1 20 20 THR HG23 H 1 1.15 0.02 . 1 . . . . 20 THR HG2 . 16512 1 135 . 1 1 20 20 THR C C 13 175.5 0.3 . 1 . . . . 20 THR C . 16512 1 136 . 1 1 20 20 THR CA C 13 63.0 0.3 . 1 . . . . 20 THR CA . 16512 1 137 . 1 1 20 20 THR CB C 13 69.4 0.3 . 1 . . . . 20 THR CB . 16512 1 138 . 1 1 20 20 THR CG2 C 13 21.8 0.3 . 1 . . . . 20 THR CG2 . 16512 1 139 . 1 1 20 20 THR N N 15 113.9 0.3 . 1 . . . . 20 THR N . 16512 1 140 . 1 1 21 21 SER H H 1 8.19 0.02 . 1 . . . . 21 SER H . 16512 1 141 . 1 1 21 21 SER C C 13 177.1 0.3 . 1 . . . . 21 SER C . 16512 1 142 . 1 1 21 21 SER CA C 13 60.5 0.3 . 1 . . . . 21 SER CA . 16512 1 143 . 1 1 21 21 SER CB C 13 63.2 0.3 . 1 . . . . 21 SER CB . 16512 1 144 . 1 1 21 21 SER N N 15 117.6 0.3 . 1 . . . . 21 SER N . 16512 1 145 . 1 1 22 22 ALA H H 1 8.31 0.02 . 1 . . . . 22 ALA H . 16512 1 146 . 1 1 22 22 ALA HA H 1 3.90 0.02 . 1 . . . . 22 ALA HA . 16512 1 147 . 1 1 22 22 ALA HB1 H 1 1.26 0.02 . 1 . . . . 22 ALA HB . 16512 1 148 . 1 1 22 22 ALA HB2 H 1 1.26 0.02 . 1 . . . . 22 ALA HB . 16512 1 149 . 1 1 22 22 ALA HB3 H 1 1.26 0.02 . 1 . . . . 22 ALA HB . 16512 1 150 . 1 1 22 22 ALA C C 13 178.4 0.3 . 1 . . . . 22 ALA C . 16512 1 151 . 1 1 22 22 ALA CA C 13 54.4 0.3 . 1 . . . . 22 ALA CA . 16512 1 152 . 1 1 22 22 ALA CB C 13 18.4 0.3 . 1 . . . . 22 ALA CB . 16512 1 153 . 1 1 22 22 ALA N N 15 124.2 0.3 . 1 . . . . 22 ALA N . 16512 1 154 . 1 1 23 23 ALA H H 1 7.81 0.02 . 1 . . . . 23 ALA H . 16512 1 155 . 1 1 23 23 ALA HA H 1 3.95 0.02 . 1 . . . . 23 ALA HA . 16512 1 156 . 1 1 23 23 ALA HB1 H 1 1.37 0.02 . 1 . . . . 23 ALA HB . 16512 1 157 . 1 1 23 23 ALA HB2 H 1 1.37 0.02 . 1 . . . . 23 ALA HB . 16512 1 158 . 1 1 23 23 ALA HB3 H 1 1.37 0.02 . 1 . . . . 23 ALA HB . 16512 1 159 . 1 1 23 23 ALA C C 13 179.4 0.3 . 1 . . . . 23 ALA C . 16512 1 160 . 1 1 23 23 ALA CA C 13 54.3 0.3 . 1 . . . . 23 ALA CA . 16512 1 161 . 1 1 23 23 ALA CB C 13 18.4 0.3 . 1 . . . . 23 ALA CB . 16512 1 162 . 1 1 23 23 ALA N N 15 119.8 0.3 . 1 . . . . 23 ALA N . 16512 1 163 . 1 1 24 24 LYS H H 1 7.70 0.02 . 1 . . . . 24 LYS H . 16512 1 164 . 1 1 24 24 LYS HA H 1 3.96 0.02 . 1 . . . . 24 LYS HA . 16512 1 165 . 1 1 24 24 LYS HB3 H 1 1.77 0.02 . 1 . . . . 24 LYS HB3 . 16512 1 166 . 1 1 24 24 LYS C C 13 178.0 0.3 . 1 . . . . 24 LYS C . 16512 1 167 . 1 1 24 24 LYS CA C 13 58.2 0.3 . 1 . . . . 24 LYS CA . 16512 1 168 . 1 1 24 24 LYS CB C 13 32.4 0.3 . 1 . . . . 24 LYS CB . 16512 1 169 . 1 1 24 24 LYS N N 15 117.7 0.3 . 1 . . . . 24 LYS N . 16512 1 170 . 1 1 25 25 LEU H H 1 7.76 0.02 . 1 . . . . 25 LEU H . 16512 1 171 . 1 1 25 25 LEU HA H 1 4.06 0.02 . 1 . . . . 25 LEU HA . 16512 1 172 . 1 1 25 25 LEU HB2 H 1 1.47 0.02 . 1 . . . . 25 LEU HB2 . 16512 1 173 . 1 1 25 25 LEU C C 13 177.9 0.3 . 1 . . . . 25 LEU C . 16512 1 174 . 1 1 25 25 LEU CA C 13 56.6 0.3 . 1 . . . . 25 LEU CA . 16512 1 175 . 1 1 25 25 LEU CB C 13 41.9 0.3 . 1 . . . . 25 LEU CB . 16512 1 176 . 1 1 25 25 LEU N N 15 119.7 0.3 . 1 . . . . 25 LEU N . 16512 1 177 . 1 1 26 26 LYS H H 1 7.86 0.02 . 1 . . . . 26 LYS H . 16512 1 178 . 1 1 26 26 LYS HA H 1 3.90 0.02 . 1 . . . . 26 LYS HA . 16512 1 179 . 1 1 26 26 LYS HB3 H 1 1.77 0.02 . 1 . . . . 26 LYS HB3 . 16512 1 180 . 1 1 26 26 LYS C C 13 177.2 0.3 . 1 . . . . 26 LYS C . 16512 1 181 . 1 1 26 26 LYS CA C 13 58.0 0.3 . 1 . . . . 26 LYS CA . 16512 1 182 . 1 1 26 26 LYS CB C 13 32.4 0.3 . 1 . . . . 26 LYS CB . 16512 1 183 . 1 1 26 26 LYS N N 15 118.9 0.3 . 1 . . . . 26 LYS N . 16512 1 184 . 1 1 27 27 ARG H H 1 7.69 0.02 . 1 . . . . 27 ARG H . 16512 1 185 . 1 1 27 27 ARG HA H 1 3.96 0.02 . 1 . . . . 27 ARG HA . 16512 1 186 . 1 1 27 27 ARG HB3 H 1 1.74 0.02 . 1 . . . . 27 ARG HB3 . 16512 1 187 . 1 1 27 27 ARG C C 13 176.8 0.3 . 1 . . . . 27 ARG C . 16512 1 188 . 1 1 27 27 ARG CA C 13 57.4 0.3 . 1 . . . . 27 ARG CA . 16512 1 189 . 1 1 27 27 ARG CB C 13 30.4 0.3 . 1 . . . . 27 ARG CB . 16512 1 190 . 1 1 27 27 ARG N N 15 118.3 0.3 . 1 . . . . 27 ARG N . 16512 1 191 . 1 1 28 28 LYS H H 1 7.71 0.02 . 1 . . . . 28 LYS H . 16512 1 192 . 1 1 28 28 LYS HA H 1 3.96 0.02 . 1 . . . . 28 LYS HA . 16512 1 193 . 1 1 28 28 LYS HB3 H 1 1.76 0.02 . 1 . . . . 28 LYS HB3 . 16512 1 194 . 1 1 28 28 LYS C C 13 176.9 0.3 . 1 . . . . 28 LYS C . 16512 1 195 . 1 1 28 28 LYS CA C 13 57.3 0.3 . 1 . . . . 28 LYS CA . 16512 1 196 . 1 1 28 28 LYS CB C 13 32.7 0.3 . 1 . . . . 28 LYS CB . 16512 1 197 . 1 1 28 28 LYS N N 15 118.7 0.3 . 1 . . . . 28 LYS N . 16512 1 198 . 1 1 29 29 TYR H H 1 7.83 0.02 . 1 . . . . 29 TYR H . 16512 1 199 . 1 1 29 29 TYR N N 15 116.7 0.3 . 1 . . . . 29 TYR N . 16512 1 200 . 1 1 30 30 TRP H H 1 7.78 0.02 . 1 . . . . 30 TRP H . 16512 1 201 . 1 1 30 30 TRP N N 15 120.5 0.3 . 1 . . . . 30 TRP N . 16512 1 202 . 1 1 31 31 TRP H H 1 6.95 0.02 . 1 . . . . 31 TRP H . 16512 1 203 . 1 1 31 31 TRP CA C 13 57.5 0.3 . 1 . . . . 31 TRP CA . 16512 1 204 . 1 1 31 31 TRP N N 15 120.0 0.3 . 1 . . . . 31 TRP N . 16512 1 205 . 1 1 32 32 LYS H H 1 7.28 0.02 . 1 . . . . 32 LYS H . 16512 1 206 . 1 1 32 32 LYS HA H 1 4.00 0.02 . 1 . . . . 32 LYS HA . 16512 1 207 . 1 1 32 32 LYS HB3 H 1 1.75 0.02 . 1 . . . . 32 LYS HB3 . 16512 1 208 . 1 1 32 32 LYS C C 13 175.8 0.3 . 1 . . . . 32 LYS C . 16512 1 209 . 1 1 32 32 LYS CA C 13 57.0 0.3 . 1 . . . . 32 LYS CA . 16512 1 210 . 1 1 32 32 LYS CB C 13 32.2 0.3 . 1 . . . . 32 LYS CB . 16512 1 211 . 1 1 32 32 LYS N N 15 117.4 0.3 . 1 . . . . 32 LYS N . 16512 1 212 . 1 1 33 33 ASN H H 1 7.55 0.02 . 1 . . . . 33 ASN H . 16512 1 213 . 1 1 33 33 ASN HA H 1 4.68 0.02 . 1 . . . . 33 ASN HA . 16512 1 214 . 1 1 33 33 ASN HB2 H 1 2.76 0.02 . 1 . . . . 33 ASN HB2 . 16512 1 215 . 1 1 33 33 ASN C C 13 174.7 0.3 . 1 . . . . 33 ASN C . 16512 1 216 . 1 1 33 33 ASN CA C 13 52.9 0.3 . 1 . . . . 33 ASN CA . 16512 1 217 . 1 1 33 33 ASN CB C 13 39.5 0.3 . 1 . . . . 33 ASN CB . 16512 1 218 . 1 1 33 33 ASN N N 15 117.5 0.3 . 1 . . . . 33 ASN N . 16512 1 219 . 1 1 34 34 LEU H H 1 8.35 0.02 . 1 . . . . 34 LEU H . 16512 1 220 . 1 1 34 34 LEU C C 13 177.5 0.3 . 1 . . . . 34 LEU C . 16512 1 221 . 1 1 34 34 LEU CA C 13 58.1 0.3 . 1 . . . . 34 LEU CA . 16512 1 222 . 1 1 34 34 LEU CB C 13 41.8 0.3 . 1 . . . . 34 LEU CB . 16512 1 223 . 1 1 34 34 LEU N N 15 124.3 0.3 . 1 . . . . 34 LEU N . 16512 1 224 . 1 1 35 35 LYS H H 1 8.09 0.02 . 1 . . . . 35 LYS H . 16512 1 225 . 1 1 35 35 LYS HA H 1 3.64 0.02 . 1 . . . . 35 LYS HA . 16512 1 226 . 1 1 35 35 LYS HB3 H 1 1.76 0.02 . 1 . . . . 35 LYS HB3 . 16512 1 227 . 1 1 35 35 LYS HE2 H 1 2.78 0.02 . 1 . . . . 35 LYS HE2 . 16512 1 228 . 1 1 35 35 LYS C C 13 177.6 0.3 . 1 . . . . 35 LYS C . 16512 1 229 . 1 1 35 35 LYS CA C 13 60.5 0.3 . 1 . . . . 35 LYS CA . 16512 1 230 . 1 1 35 35 LYS CB C 13 32.0 0.3 . 1 . . . . 35 LYS CB . 16512 1 231 . 1 1 35 35 LYS N N 15 117.5 0.3 . 1 . . . . 35 LYS N . 16512 1 232 . 1 1 36 36 MET H H 1 7.85 0.02 . 1 . . . . 36 MET H . 16512 1 233 . 1 1 36 36 MET HA H 1 4.11 0.02 . 1 . . . . 36 MET HA . 16512 1 234 . 1 1 36 36 MET HB2 H 1 1.97 0.02 . 1 . . . . 36 MET HB2 . 16512 1 235 . 1 1 36 36 MET C C 13 177.6 0.3 . 1 . . . . 36 MET C . 16512 1 236 . 1 1 36 36 MET N N 15 115.3 0.3 . 1 . . . . 36 MET N . 16512 1 237 . 1 1 37 37 MET H H 1 7.89 0.02 . 1 . . . . 37 MET H . 16512 1 238 . 1 1 37 37 MET HA H 1 4.09 0.02 . 1 . . . . 37 MET HA . 16512 1 239 . 1 1 37 37 MET HB2 H 1 1.82 0.02 . 1 . . . . 37 MET HB2 . 16512 1 240 . 1 1 37 37 MET HE1 H 1 2.16 0.02 . 1 . . . . 37 MET HE . 16512 1 241 . 1 1 37 37 MET HE2 H 1 2.16 0.02 . 1 . . . . 37 MET HE . 16512 1 242 . 1 1 37 37 MET HE3 H 1 2.16 0.02 . 1 . . . . 37 MET HE . 16512 1 243 . 1 1 37 37 MET C C 13 177.7 0.3 . 1 . . . . 37 MET C . 16512 1 244 . 1 1 37 37 MET CA C 13 58.1 0.3 . 1 . . . . 37 MET CA . 16512 1 245 . 1 1 37 37 MET CB C 13 31.9 0.3 . 1 . . . . 37 MET CB . 16512 1 246 . 1 1 37 37 MET N N 15 116.4 0.3 . 1 . . . . 37 MET N . 16512 1 247 . 1 1 38 38 ILE H H 1 8.10 0.02 . 1 . . . . 38 ILE H . 16512 1 248 . 1 1 38 38 ILE HA H 1 3.56 0.02 . 1 . . . . 38 ILE HA . 16512 1 249 . 1 1 38 38 ILE HB H 1 1.92 0.02 . 1 . . . . 38 ILE HB . 16512 1 250 . 1 1 38 38 ILE C C 13 177.1 0.3 . 1 . . . . 38 ILE C . 16512 1 251 . 1 1 38 38 ILE CA C 13 65.4 0.3 . 1 . . . . 38 ILE CA . 16512 1 252 . 1 1 38 38 ILE CB C 13 37.2 0.3 . 1 . . . . 38 ILE CB . 16512 1 253 . 1 1 38 38 ILE N N 15 117.9 0.3 . 1 . . . . 38 ILE N . 16512 1 254 . 1 1 39 39 ILE H H 1 7.77 0.02 . 1 . . . . 39 ILE H . 16512 1 255 . 1 1 39 39 ILE HA H 1 3.43 0.02 . 1 . . . . 39 ILE HA . 16512 1 256 . 1 1 39 39 ILE HB H 1 1.92 0.02 . 1 . . . . 39 ILE HB . 16512 1 257 . 1 1 39 39 ILE C C 13 177.1 0.3 . 1 . . . . 39 ILE C . 16512 1 258 . 1 1 39 39 ILE CA C 13 65.8 0.3 . 1 . . . . 39 ILE CA . 16512 1 259 . 1 1 39 39 ILE N N 15 118.6 0.3 . 1 . . . . 39 ILE N . 16512 1 260 . 1 1 40 40 LEU H H 1 8.22 0.02 . 1 . . . . 40 LEU H . 16512 1 261 . 1 1 40 40 LEU HA H 1 3.92 0.02 . 1 . . . . 40 LEU HA . 16512 1 262 . 1 1 40 40 LEU HB2 H 1 1.55 0.02 . 1 . . . . 40 LEU HB2 . 16512 1 263 . 1 1 40 40 LEU C C 13 178.7 0.3 . 1 . . . . 40 LEU C . 16512 1 264 . 1 1 40 40 LEU CA C 13 58.1 0.3 . 1 . . . . 40 LEU CA . 16512 1 265 . 1 1 40 40 LEU CB C 13 41.5 0.3 . 1 . . . . 40 LEU CB . 16512 1 266 . 1 1 40 40 LEU N N 15 117.8 0.3 . 1 . . . . 40 LEU N . 16512 1 267 . 1 1 41 41 GLY H H 1 8.48 0.02 . 1 . . . . 41 GLY H . 16512 1 268 . 1 1 41 41 GLY HA2 H 1 3.48 0.02 . 1 . . . . 41 GLY HA2 . 16512 1 269 . 1 1 41 41 GLY C C 13 174.2 0.3 . 1 . . . . 41 GLY C . 16512 1 270 . 1 1 41 41 GLY CA C 13 47.7 0.3 . 1 . . . . 41 GLY CA . 16512 1 271 . 1 1 41 41 GLY N N 15 107.2 0.3 . 1 . . . . 41 GLY N . 16512 1 272 . 1 1 42 42 VAL H H 1 8.36 0.02 . 1 . . . . 42 VAL H . 16512 1 273 . 1 1 42 42 VAL HA H 1 3.42 0.02 . 1 . . . . 42 VAL HA . 16512 1 274 . 1 1 42 42 VAL HB H 1 2.18 0.02 . 1 . . . . 42 VAL HB . 16512 1 275 . 1 1 42 42 VAL HG11 H 1 0.77 0.02 . 1 . . . . 42 VAL HG1 . 16512 1 276 . 1 1 42 42 VAL HG12 H 1 0.77 0.02 . 1 . . . . 42 VAL HG1 . 16512 1 277 . 1 1 42 42 VAL HG13 H 1 0.77 0.02 . 1 . . . . 42 VAL HG1 . 16512 1 278 . 1 1 42 42 VAL HG21 H 1 0.91 0.02 . 1 . . . . 42 VAL HG2 . 16512 1 279 . 1 1 42 42 VAL HG22 H 1 0.91 0.02 . 1 . . . . 42 VAL HG2 . 16512 1 280 . 1 1 42 42 VAL HG23 H 1 0.91 0.02 . 1 . . . . 42 VAL HG2 . 16512 1 281 . 1 1 42 42 VAL C C 13 177.3 0.3 . 1 . . . . 42 VAL C . 16512 1 282 . 1 1 42 42 VAL CA C 13 67.1 0.3 . 1 . . . . 42 VAL CA . 16512 1 283 . 1 1 42 42 VAL CB C 13 31.0 0.3 . 1 . . . . 42 VAL CB . 16512 1 284 . 1 1 42 42 VAL N N 15 120.8 0.3 . 1 . . . . 42 VAL N . 16512 1 285 . 1 1 43 43 ILE H H 1 8.09 0.02 . 1 . . . . 43 ILE H . 16512 1 286 . 1 1 43 43 ILE HA H 1 3.53 0.02 . 1 . . . . 43 ILE HA . 16512 1 287 . 1 1 43 43 ILE HB H 1 1.97 0.02 . 1 . . . . 43 ILE HB . 16512 1 288 . 1 1 43 43 ILE C C 13 177.4 0.3 . 1 . . . . 43 ILE C . 16512 1 289 . 1 1 43 43 ILE CB C 13 37.1 0.3 . 1 . . . . 43 ILE CB . 16512 1 290 . 1 1 43 43 ILE N N 15 118.6 0.3 . 1 . . . . 43 ILE N . 16512 1 291 . 1 1 44 44 CYS H H 1 8.34 0.02 . 1 . . . . 44 CYS H . 16512 1 292 . 1 1 44 44 CYS HA H 1 3.79 0.02 . 1 . . . . 44 CYS HA . 16512 1 293 . 1 1 44 44 CYS HB2 H 1 3.03 0.02 . 1 . . . . 44 CYS HB2 . 16512 1 294 . 1 1 44 44 CYS HB3 H 1 2.45 0.02 . 2 . . . . 44 CYS HB3 . 16512 1 295 . 1 1 44 44 CYS C C 13 175.7 0.3 . 1 . . . . 44 CYS C . 16512 1 296 . 1 1 44 44 CYS CA C 13 64.8 0.3 . 1 . . . . 44 CYS CA . 16512 1 297 . 1 1 44 44 CYS CB C 13 26.6 0.3 . 1 . . . . 44 CYS CB . 16512 1 298 . 1 1 44 44 CYS N N 15 116.4 0.3 . 1 . . . . 44 CYS N . 16512 1 299 . 1 1 45 45 ALA H H 1 8.21 0.02 . 1 . . . . 45 ALA H . 16512 1 300 . 1 1 45 45 ALA HA H 1 3.79 0.02 . 1 . . . . 45 ALA HA . 16512 1 301 . 1 1 45 45 ALA HB1 H 1 1.34 0.02 . 1 . . . . 45 ALA HB . 16512 1 302 . 1 1 45 45 ALA HB2 H 1 1.34 0.02 . 1 . . . . 45 ALA HB . 16512 1 303 . 1 1 45 45 ALA HB3 H 1 1.34 0.02 . 1 . . . . 45 ALA HB . 16512 1 304 . 1 1 45 45 ALA C C 13 178.3 0.3 . 1 . . . . 45 ALA C . 16512 1 305 . 1 1 45 45 ALA CB C 13 17.5 0.3 . 1 . . . . 45 ALA CB . 16512 1 306 . 1 1 45 45 ALA N N 15 120.4 0.3 . 1 . . . . 45 ALA N . 16512 1 307 . 1 1 46 46 ILE H H 1 8.07 0.02 . 1 . . . . 46 ILE H . 16512 1 308 . 1 1 46 46 ILE HA H 1 3.42 0.02 . 1 . . . . 46 ILE HA . 16512 1 309 . 1 1 46 46 ILE HB H 1 1.97 0.02 . 1 . . . . 46 ILE HB . 16512 1 310 . 1 1 46 46 ILE C C 13 177.2 0.3 . 1 . . . . 46 ILE C . 16512 1 311 . 1 1 46 46 ILE CA C 13 65.5 0.3 . 1 . . . . 46 ILE CA . 16512 1 312 . 1 1 46 46 ILE CB C 13 37.2 0.3 . 1 . . . . 46 ILE CB . 16512 1 313 . 1 1 46 46 ILE N N 15 116.3 0.3 . 1 . . . . 46 ILE N . 16512 1 314 . 1 1 47 47 ILE H H 1 8.03 0.02 . 1 . . . . 47 ILE H . 16512 1 315 . 1 1 47 47 ILE HA H 1 3.42 0.02 . 1 . . . . 47 ILE HA . 16512 1 316 . 1 1 47 47 ILE HB H 1 1.97 0.02 . 1 . . . . 47 ILE HB . 16512 1 317 . 1 1 47 47 ILE HD11 H 1 0.63 0.02 . 1 . . . . 47 ILE HD1 . 16512 1 318 . 1 1 47 47 ILE HD12 H 1 0.63 0.02 . 1 . . . . 47 ILE HD1 . 16512 1 319 . 1 1 47 47 ILE HD13 H 1 0.63 0.02 . 1 . . . . 47 ILE HD1 . 16512 1 320 . 1 1 47 47 ILE C C 13 176.5 0.3 . 1 . . . . 47 ILE C . 16512 1 321 . 1 1 47 47 ILE CA C 13 65.8 0.3 . 1 . . . . 47 ILE CA . 16512 1 322 . 1 1 47 47 ILE N N 15 118.7 0.3 . 1 . . . . 47 ILE N . 16512 1 323 . 1 1 48 48 LEU H H 1 8.18 0.02 . 1 . . . . 48 LEU H . 16512 1 324 . 1 1 48 48 LEU HA H 1 3.87 0.02 . 1 . . . . 48 LEU HA . 16512 1 325 . 1 1 48 48 LEU HB2 H 1 1.50 0.02 . 1 . . . . 48 LEU HB2 . 16512 1 326 . 1 1 48 48 LEU C C 13 178.2 0.3 . 1 . . . . 48 LEU C . 16512 1 327 . 1 1 48 48 LEU CA C 13 58.5 0.3 . 1 . . . . 48 LEU CA . 16512 1 328 . 1 1 48 48 LEU CB C 13 41.4 0.3 . 1 . . . . 48 LEU CB . 16512 1 329 . 1 1 48 48 LEU N N 15 118.3 0.3 . 1 . . . . 48 LEU N . 16512 1 330 . 1 1 49 49 ILE H H 1 8.21 0.02 . 1 . . . . 49 ILE H . 16512 1 331 . 1 1 49 49 ILE HA H 1 3.48 0.02 . 1 . . . . 49 ILE HA . 16512 1 332 . 1 1 49 49 ILE HB H 1 1.97 0.02 . 1 . . . . 49 ILE HB . 16512 1 333 . 1 1 49 49 ILE C C 13 177.2 0.3 . 1 . . . . 49 ILE C . 16512 1 334 . 1 1 49 49 ILE CA C 13 65.9 0.3 . 1 . . . . 49 ILE CA . 16512 1 335 . 1 1 49 49 ILE CB C 13 37.2 0.3 . 1 . . . . 49 ILE CB . 16512 1 336 . 1 1 49 49 ILE N N 15 117.9 0.3 . 1 . . . . 49 ILE N . 16512 1 337 . 1 1 50 50 ILE H H 1 8.19 0.02 . 1 . . . . 50 ILE H . 16512 1 338 . 1 1 50 50 ILE HA H 1 3.43 0.02 . 1 . . . . 50 ILE HA . 16512 1 339 . 1 1 50 50 ILE HB H 1 2.08 0.02 . 1 . . . . 50 ILE HB . 16512 1 340 . 1 1 50 50 ILE C C 13 177.4 0.3 . 1 . . . . 50 ILE C . 16512 1 341 . 1 1 50 50 ILE CA C 13 66.1 0.3 . 1 . . . . 50 ILE CA . 16512 1 342 . 1 1 50 50 ILE CB C 13 37.1 0.3 . 1 . . . . 50 ILE CB . 16512 1 343 . 1 1 50 50 ILE N N 15 119.2 0.3 . 1 . . . . 50 ILE N . 16512 1 344 . 1 1 51 51 ILE H H 1 8.26 0.02 . 1 . . . . 51 ILE H . 16512 1 345 . 1 1 51 51 ILE HA H 1 3.63 0.02 . 1 . . . . 51 ILE HA . 16512 1 346 . 1 1 51 51 ILE HB H 1 2.10 0.02 . 1 . . . . 51 ILE HB . 16512 1 347 . 1 1 51 51 ILE C C 13 177.6 0.3 . 1 . . . . 51 ILE C . 16512 1 348 . 1 1 51 51 ILE CA C 13 66.1 0.3 . 1 . . . . 51 ILE CA . 16512 1 349 . 1 1 51 51 ILE CB C 13 37.4 0.3 . 1 . . . . 51 ILE CB . 16512 1 350 . 1 1 51 51 ILE N N 15 119.0 0.3 . 1 . . . . 51 ILE N . 16512 1 351 . 1 1 52 52 ILE H H 1 8.43 0.02 . 1 . . . . 52 ILE H . 16512 1 352 . 1 1 52 52 ILE HA H 1 3.58 0.02 . 1 . . . . 52 ILE HA . 16512 1 353 . 1 1 52 52 ILE HB H 1 1.97 0.02 . 1 . . . . 52 ILE HB . 16512 1 354 . 1 1 52 52 ILE HG21 H 1 0.79 0.02 . 1 . . . . 52 ILE HG2 . 16512 1 355 . 1 1 52 52 ILE HG22 H 1 0.79 0.02 . 1 . . . . 52 ILE HG2 . 16512 1 356 . 1 1 52 52 ILE HG23 H 1 0.79 0.02 . 1 . . . . 52 ILE HG2 . 16512 1 357 . 1 1 52 52 ILE C C 13 178.9 0.3 . 1 . . . . 52 ILE C . 16512 1 358 . 1 1 52 52 ILE CA C 13 65.8 0.3 . 1 . . . . 52 ILE CA . 16512 1 359 . 1 1 52 52 ILE CB C 13 37.5 0.3 . 1 . . . . 52 ILE CB . 16512 1 360 . 1 1 52 52 ILE N N 15 119.2 0.3 . 1 . . . . 52 ILE N . 16512 1 361 . 1 1 53 53 VAL H H 1 8.71 0.02 . 1 . . . . 53 VAL H . 16512 1 362 . 1 1 53 53 VAL HA H 1 3.43 0.02 . 1 . . . . 53 VAL HA . 16512 1 363 . 1 1 53 53 VAL HB H 1 2.13 0.02 . 1 . . . . 53 VAL HB . 16512 1 364 . 1 1 53 53 VAL HG11 H 1 0.71 0.02 . 1 . . . . 53 VAL HG1 . 16512 1 365 . 1 1 53 53 VAL HG12 H 1 0.71 0.02 . 1 . . . . 53 VAL HG1 . 16512 1 366 . 1 1 53 53 VAL HG13 H 1 0.71 0.02 . 1 . . . . 53 VAL HG1 . 16512 1 367 . 1 1 53 53 VAL HG21 H 1 0.95 0.02 . 1 . . . . 53 VAL HG2 . 16512 1 368 . 1 1 53 53 VAL HG22 H 1 0.95 0.02 . 1 . . . . 53 VAL HG2 . 16512 1 369 . 1 1 53 53 VAL HG23 H 1 0.95 0.02 . 1 . . . . 53 VAL HG2 . 16512 1 370 . 1 1 53 53 VAL C C 13 178.2 0.3 . 1 . . . . 53 VAL C . 16512 1 371 . 1 1 53 53 VAL CA C 13 67.1 0.3 . 1 . . . . 53 VAL CA . 16512 1 372 . 1 1 53 53 VAL CB C 13 31.1 0.3 . 1 . . . . 53 VAL CB . 16512 1 373 . 1 1 53 53 VAL N N 15 120.1 0.3 . 1 . . . . 53 VAL N . 16512 1 374 . 1 1 54 54 TYR H H 1 8.75 0.02 . 1 . . . . 54 TYR H . 16512 1 375 . 1 1 54 54 TYR HA H 1 3.87 0.02 . 1 . . . . 54 TYR HA . 16512 1 376 . 1 1 54 54 TYR HB3 H 1 2.86 0.02 . 1 . . . . 54 TYR HB3 . 16512 1 377 . 1 1 54 54 TYR C C 13 177.1 0.3 . 1 . . . . 54 TYR C . 16512 1 378 . 1 1 54 54 TYR CA C 13 62.2 0.3 . 1 . . . . 54 TYR CA . 16512 1 379 . 1 1 54 54 TYR CB C 13 38.5 0.3 . 1 . . . . 54 TYR CB . 16512 1 380 . 1 1 54 54 TYR N N 15 120.1 0.3 . 1 . . . . 54 TYR N . 16512 1 381 . 1 1 55 55 PHE H H 1 8.11 0.02 . 1 . . . . 55 PHE H . 16512 1 382 . 1 1 55 55 PHE HA H 1 4.37 0.02 . 1 . . . . 55 PHE HA . 16512 1 383 . 1 1 55 55 PHE HB2 H 1 2.97 0.02 . 1 . . . . 55 PHE HB2 . 16512 1 384 . 1 1 55 55 PHE HB3 H 1 3.31 0.02 . 2 . . . . 55 PHE HB3 . 16512 1 385 . 1 1 55 55 PHE C C 13 176.1 0.3 . 1 . . . . 55 PHE C . 16512 1 386 . 1 1 55 55 PHE CA C 13 60.1 0.3 . 1 . . . . 55 PHE CA . 16512 1 387 . 1 1 55 55 PHE CB C 13 39.2 0.3 . 1 . . . . 55 PHE CB . 16512 1 388 . 1 1 55 55 PHE N N 15 113.2 0.3 . 1 . . . . 55 PHE N . 16512 1 389 . 1 1 56 56 SER H H 1 7.72 0.02 . 1 . . . . 56 SER H . 16512 1 390 . 1 1 56 56 SER HA H 1 4.48 0.02 . 1 . . . . 56 SER HA . 16512 1 391 . 1 1 56 56 SER HB2 H 1 3.92 0.02 . 1 . . . . 56 SER HB2 . 16512 1 392 . 1 1 56 56 SER C C 13 173.2 0.3 . 1 . . . . 56 SER C . 16512 1 393 . 1 1 56 56 SER CA C 13 59.7 0.3 . 1 . . . . 56 SER CA . 16512 1 394 . 1 1 56 56 SER CB C 13 64.4 0.3 . 1 . . . . 56 SER CB . 16512 1 395 . 1 1 56 56 SER N N 15 114.1 0.3 . 1 . . . . 56 SER N . 16512 1 396 . 1 1 57 57 THR H H 1 7.15 0.02 . 1 . . . . 57 THR H . 16512 1 397 . 1 1 57 57 THR HA H 1 4.04 0.02 . 1 . . . . 57 THR HA . 16512 1 398 . 1 1 57 57 THR HB H 1 4.12 0.02 . 1 . . . . 57 THR HB . 16512 1 399 . 1 1 57 57 THR HG21 H 1 1.08 0.02 . 1 . . . . 57 THR HG2 . 16512 1 400 . 1 1 57 57 THR HG22 H 1 1.08 0.02 . 1 . . . . 57 THR HG2 . 16512 1 401 . 1 1 57 57 THR HG23 H 1 1.08 0.02 . 1 . . . . 57 THR HG2 . 16512 1 402 . 1 1 57 57 THR C C 13 178.4 0.3 . 1 . . . . 57 THR C . 16512 1 403 . 1 1 57 57 THR CA C 13 63.1 0.3 . 1 . . . . 57 THR CA . 16512 1 404 . 1 1 57 57 THR CB C 13 70.9 0.3 . 1 . . . . 57 THR CB . 16512 1 405 . 1 1 57 57 THR CG2 C 13 22.2 0.3 . 1 . . . . 57 THR CG2 . 16512 1 406 . 1 1 57 57 THR N N 15 118.1 0.3 . 1 . . . . 57 THR N . 16512 1 stop_ save_