data_16159 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16159 _Entry.Title ; Beta1A Integrin Cytoplasmic Tail 1H and 15N Chemical Shift Assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-03 _Entry.Accession_date 2009-02-03 _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 'Full 1H and 15N chemical shift assignments at pH 5.0 and backbone 1H and 15N chemical shift assignments at pH 6.1 for the cytoplasmic tail of the beta1A integrin.' _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 Nicholas Anthis . J. . 16159 2 Kate Wegener . L. . 16159 3 Iain Campbell . D. . 16159 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16159 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 100 16159 '1H chemical shifts' 347 16159 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 . . 2010-01-21 2009-02-03 update BMRB 'complete entry citation' 16159 1 . . 2009-10-07 2009-02-03 original author 'original release' 16159 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15552 'Assigments of cytoplasmic tail of the human beta3 integrin' 16159 BMRB 16158 Beta-1A 16159 BMRB 16162 Beta-1A-His6 16159 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16159 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19798053 _Citation.Full_citation . _Citation.Title 'The structure of an integrin/talin complex reveals the basis of inside-out signal transduction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 28 _Citation.Journal_issue 22 _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 3623 _Citation.Page_last 3632 _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 Nicholas Anthis . J. . 16159 1 2 Kate Wegener . L. . 16159 1 3 Feng Ye . . . 16159 1 4 Chungho Kim . . . 16159 1 5 Benjamin Goult . T. . 16159 1 6 Edward Lowe . D. . 16159 1 7 Ioannis Vakonakis . . . 16159 1 8 Neil Bate . . . 16159 1 9 David Critchley . R. . 16159 1 10 Mark Ginsberg . H. . 16159 1 11 Iain Campbell . D. . 16159 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16159 _Assembly.ID 1 _Assembly.Name 'beta1A integrin tail' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 5710 _Assembly.Enzyme_commission_number . _Assembly.Details 'beta1A integrin tail' _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 'beta1A integrin tail' 1 $beta1A_integrin A . yes native no no . . . 16159 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta1A_integrin _Entity.Sf_category entity _Entity.Sf_framecode beta1A_integrin _Entity.Entry_ID 16159 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta1A_integrin _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 ; GPKLLMIIHDRREFAKFEKE KMNAKWDTGENPIYKSAVTT VVNPKYEGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Numbering should be 752-798, starting from 3rd residue (K)' _Entity.Polymer_author_seq_details 'This is the cytoplasmic tail of the beta1A integrin tail. The first two residues (GP) are a cloning artifact.' _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 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'beta1A cytoplasmic tail' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5710 _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 UNP P05556 . "Integrin beta-1" . . . . . . . . . . . . . . 16159 1 2 no DBJ BAC39546 . "unnamed protein product [Mus musculus]" . . . . . 89.80 92 100.00 100.00 9.69e-23 . . . . 16159 1 3 no DBJ BAC40532 . "unnamed protein product [Mus musculus]" . . . . . 89.80 798 100.00 100.00 2.23e-22 . . . . 16159 1 4 no DBJ BAE39731 . "unnamed protein product [Mus musculus]" . . . . . 89.80 798 100.00 100.00 2.23e-22 . . . . 16159 1 5 no DBJ BAF84386 . "unnamed protein product [Homo sapiens]" . . . . . 89.80 798 100.00 100.00 2.53e-22 . . . . 16159 1 6 no DBJ BAG72587 . "integrin, beta 1 [synthetic construct]" . . . . . 89.80 798 100.00 100.00 2.58e-22 . . . . 16159 1 7 no EMBL CAA30790 . "unnamed protein product [Homo sapiens]" . . . . . 89.80 798 100.00 100.00 2.66e-22 . . . . 16159 1 8 no EMBL CAA33272 . "Fn receptor beta prechain [Mus musculus]" . . . . . 89.80 798 100.00 100.00 2.23e-22 . . . . 16159 1 9 no EMBL CAA68738 . "pre-integrin (AA -20 to 778) [Mus musculus]" . . . . . 89.80 798 100.00 100.00 2.23e-22 . . . . 16159 1 10 no EMBL CAD97649 . "hypothetical protein [Homo sapiens]" . . . . . 89.80 823 100.00 100.00 4.81e-22 . . . . 16159 1 11 no EMBL CAF97757 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 89.80 871 100.00 100.00 2.46e-22 . . . . 16159 1 12 no GB AAA48926 . "integrin precursor [Gallus gallus]" . . . . . 89.80 803 100.00 100.00 2.25e-22 . . . . 16159 1 13 no GB AAA49889 . "integrin beta-1 subunit precursor [Xenopus laevis]" . . . . . 89.80 798 100.00 100.00 2.23e-22 . . . . 16159 1 14 no GB AAA49890 . "integrin beta-1* subunit precursor [Xenopus laevis]" . . . . . 89.80 798 97.73 97.73 1.07e-21 . . . . 16159 1 15 no GB AAA59182 . "integrin beta-1 subunit (cytoplasmic domain), partial [Homo sapiens]" . . . . . 53.06 38 100.00 100.00 3.19e-09 . . . . 16159 1 16 no GB AAA74402 . "integrin beta-1 subunit, partial [Homo sapiens]" . . . . . 53.06 26 100.00 100.00 1.14e-08 . . . . 16159 1 17 no PIR PH0104 . "integrin beta 1 chain 3'v - human (fragment)" . . . . . 53.06 38 100.00 100.00 3.19e-09 . . . . 16159 1 18 no REF NP_001030143 . "integrin beta-1 precursor [Danio rerio]" . . . . . 89.80 798 97.73 100.00 5.58e-22 . . . . 16159 1 19 no REF NP_001030159 . "integrin, beta 1b precursor [Danio rerio]" . . . . . 89.80 795 97.73 97.73 1.07e-21 . . . . 16159 1 20 no REF NP_001034343 . "integrin beta-1 precursor [Gallus gallus]" . . . . . 89.80 803 100.00 100.00 2.25e-22 . . . . 16159 1 21 no REF NP_001041625 . "integrin beta-1 precursor [Felis catus]" . . . . . 89.80 798 97.73 97.73 2.10e-21 . . . . 16159 1 22 no REF NP_001081286 . "integrin beta-1-A precursor [Xenopus laevis]" . . . . . 89.80 798 100.00 100.00 2.23e-22 . . . . 16159 1 23 no SP A5Z1X6 . "RecName: Full=Integrin beta-1; AltName: Full=Fibronectin receptor subunit beta; AltName: Full=VLA-4 subunit beta; AltName: CD_a" . . . . . 89.80 798 97.73 100.00 5.01e-22 . . . . 16159 1 24 no SP B0FYY4 . "RecName: Full=Integrin beta-1; AltName: Full=Fibronectin receptor subunit beta; AltName: Full=Integrin subunit beta-1; AltName:" . . . . . 95.92 798 100.00 100.00 3.51e-24 . . . . 16159 1 25 no SP P05556 . "RecName: Full=Integrin beta-1; AltName: Full=Fibronectin receptor subunit beta; AltName: Full=Glycoprotein IIa; Short=GPIIA; Al" . . . . . 89.80 798 100.00 100.00 2.58e-22 . . . . 16159 1 26 no SP P07228 . "RecName: Full=Integrin beta-1; AltName: Full=CSAT antigen; AltName: Full=JG22 antigen; AltName: Full=RGD-receptor; Flags: Precu" . . . . . 89.80 803 100.00 100.00 2.25e-22 . . . . 16159 1 27 no SP P09055 . "RecName: Full=Integrin beta-1; AltName: Full=Fibronectin receptor subunit beta; AltName: Full=VLA-4 subunit beta; AltName: CD_a" . . . . . 89.80 798 100.00 100.00 2.23e-22 . . . . 16159 1 28 no TPG DAA23553 . "TPA: integrin beta-1 precursor [Bos taurus]" . . . . . 89.80 798 100.00 100.00 2.23e-22 . . . . 16159 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cell adhesion' 16159 1 'cell migration' 16159 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 1 750 GLY . 16159 1 2 751 PRO . 16159 1 3 752 LYS . 16159 1 4 753 LEU . 16159 1 5 754 LEU . 16159 1 6 755 MET . 16159 1 7 756 ILE . 16159 1 8 757 ILE . 16159 1 9 758 HIS . 16159 1 10 759 ASP . 16159 1 11 760 ARG . 16159 1 12 761 ARG . 16159 1 13 762 GLU . 16159 1 14 763 PHE . 16159 1 15 764 ALA . 16159 1 16 765 LYS . 16159 1 17 766 PHE . 16159 1 18 767 GLU . 16159 1 19 768 LYS . 16159 1 20 769 GLU . 16159 1 21 770 LYS . 16159 1 22 771 MET . 16159 1 23 772 ASN . 16159 1 24 773 ALA . 16159 1 25 774 LYS . 16159 1 26 775 TRP . 16159 1 27 776 ASP . 16159 1 28 777 THR . 16159 1 29 778 GLY . 16159 1 30 779 GLU . 16159 1 31 780 ASN . 16159 1 32 781 PRO . 16159 1 33 782 ILE . 16159 1 34 783 TYR . 16159 1 35 784 LYS . 16159 1 36 785 SER . 16159 1 37 786 ALA . 16159 1 38 787 VAL . 16159 1 39 788 THR . 16159 1 40 789 THR . 16159 1 41 790 VAL . 16159 1 42 791 VAL . 16159 1 43 792 ASN . 16159 1 44 793 PRO . 16159 1 45 794 LYS . 16159 1 46 795 TYR . 16159 1 47 796 GLU . 16159 1 48 797 GLY . 16159 1 49 798 LYS . 16159 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16159 1 . PRO 2 2 16159 1 . LYS 3 3 16159 1 . LEU 4 4 16159 1 . LEU 5 5 16159 1 . MET 6 6 16159 1 . ILE 7 7 16159 1 . ILE 8 8 16159 1 . HIS 9 9 16159 1 . ASP 10 10 16159 1 . ARG 11 11 16159 1 . ARG 12 12 16159 1 . GLU 13 13 16159 1 . PHE 14 14 16159 1 . ALA 15 15 16159 1 . LYS 16 16 16159 1 . PHE 17 17 16159 1 . GLU 18 18 16159 1 . LYS 19 19 16159 1 . GLU 20 20 16159 1 . LYS 21 21 16159 1 . MET 22 22 16159 1 . ASN 23 23 16159 1 . ALA 24 24 16159 1 . LYS 25 25 16159 1 . TRP 26 26 16159 1 . ASP 27 27 16159 1 . THR 28 28 16159 1 . GLY 29 29 16159 1 . GLU 30 30 16159 1 . ASN 31 31 16159 1 . PRO 32 32 16159 1 . ILE 33 33 16159 1 . TYR 34 34 16159 1 . LYS 35 35 16159 1 . SER 36 36 16159 1 . ALA 37 37 16159 1 . VAL 38 38 16159 1 . THR 39 39 16159 1 . THR 40 40 16159 1 . VAL 41 41 16159 1 . VAL 42 42 16159 1 . ASN 43 43 16159 1 . PRO 44 44 16159 1 . LYS 45 45 16159 1 . TYR 46 46 16159 1 . GLU 47 47 16159 1 . GLY 48 48 16159 1 . LYS 49 49 16159 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 16159 _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 $beta1A_integrin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . ITGB1 . . . . 16159 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 16159 _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 $beta1A_integrin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET16b . . . . . . 16159 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_pH_6.1 _Sample.Sf_category sample _Sample.Sf_framecode pH_6.1 _Sample.Entry_ID 16159 _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 D2O [U-2H] . . . . . . 5 . . % . . . . 16159 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16159 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16159 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16159 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16159 1 6 'beta1A integrin' [U-15N] . . 1 $beta1A_integrin . . 0.05 . . mM . . . . 16159 1 stop_ save_ save_pH_5.0 _Sample.Sf_category sample _Sample.Sf_framecode pH_5.0 _Sample.Entry_ID 16159 _Sample.ID 2 _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 D2O [U-2H] . . . . . . 5 . . % . . . . 16159 2 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16159 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16159 2 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16159 2 5 'beta1A integrin' [U-15N] . . 1 $beta1A_integrin . . 1 . . mM . . . . 16159 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16159 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 . pH 16159 1 pressure 1.0 . atm 16159 1 temperature 298 . K 16159 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16159 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 . pH 16159 2 pressure 1.0 . atm 16159 2 temperature 298 . K 16159 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16159 _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' . . 16159 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16159 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16159 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16159 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16159 2 stop_ save_ save_Omega_Spectrometer_Operating_Software _Software.Sf_category software _Software.Sf_framecode Omega_Spectrometer_Operating_Software _Software.Entry_ID 16159 _Software.ID 3 _Software.Name 'Omega Spectrometer Operating Software' _Software.Version 'Beta 6.0.3b2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GE . . 16159 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16159 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 16159 _Software.ID 4 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Boucher and Stevens' . . 16159 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16159 4 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 16159 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer GE _NMR_spectrometer.Model OMEGA _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 16159 _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 GE OMEGA . 600 . . . 16159 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 16159 _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 $pH_6.1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16159 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $pH_5.0 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16159 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $pH_5.0 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16159 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $pH_5.0 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16159 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 16159 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16159 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16159 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 16159 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 2 '3D 1H-15N NOESY' . . . 16159 1 3 '3D 1H-15N TOCSY' . . . 16159 1 4 '2D 1H-15N HSQC' . . . 16159 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 2 2 PRO HA H 1 4.479 0.000 . 1 . . . . 751 PRO HA . 16159 1 2 . 1 1 3 3 LYS H H 1 8.470 0.002 . 1 . . . . 752 LYS H . 16159 1 3 . 1 1 3 3 LYS HA H 1 4.290 0.006 . 1 . . . . 752 LYS HA . 16159 1 4 . 1 1 3 3 LYS HB2 H 1 1.795 0.002 . 1 . . . . 752 LYS HB2 . 16159 1 5 . 1 1 3 3 LYS HB3 H 1 1.795 0.002 . 1 . . . . 752 LYS HB3 . 16159 1 6 . 1 1 3 3 LYS HG2 H 1 1.463 0.000 . 1 . . . . 752 LYS HG2 . 16159 1 7 . 1 1 3 3 LYS HG3 H 1 1.463 0.000 . 1 . . . . 752 LYS HG3 . 16159 1 8 . 1 1 3 3 LYS N N 15 122.253 0.049 . 1 . . . . 752 LYS N . 16159 1 9 . 1 1 4 4 LEU H H 1 8.253 0.002 . 1 . . . . 753 LEU H . 16159 1 10 . 1 1 4 4 LEU HA H 1 4.357 0.000 . 1 . . . . 753 LEU HA . 16159 1 11 . 1 1 4 4 LEU HB2 H 1 1.597 0.000 . 1 . . . . 753 LEU HB2 . 16159 1 12 . 1 1 4 4 LEU HB3 H 1 1.597 0.000 . 1 . . . . 753 LEU HB3 . 16159 1 13 . 1 1 4 4 LEU N N 15 124.361 0.088 . 1 . . . . 753 LEU N . 16159 1 14 . 1 1 5 5 LEU H H 1 8.226 0.001 . 1 . . . . 754 LEU H . 16159 1 15 . 1 1 5 5 LEU HA H 1 4.358 0.001 . 1 . . . . 754 LEU HA . 16159 1 16 . 1 1 5 5 LEU HB2 H 1 1.590 0.001 . 1 . . . . 754 LEU HB2 . 16159 1 17 . 1 1 5 5 LEU HB3 H 1 1.590 0.001 . 1 . . . . 754 LEU HB3 . 16159 1 18 . 1 1 5 5 LEU HD11 H 1 0.893 0.000 . 1 . . . . 754 LEU HD11 . 16159 1 19 . 1 1 5 5 LEU HD12 H 1 0.893 0.000 . 1 . . . . 754 LEU HD12 . 16159 1 20 . 1 1 5 5 LEU HD13 H 1 0.893 0.000 . 1 . . . . 754 LEU HD13 . 16159 1 21 . 1 1 5 5 LEU HD21 H 1 0.893 0.000 . 1 . . . . 754 LEU HD21 . 16159 1 22 . 1 1 5 5 LEU HD22 H 1 0.893 0.000 . 1 . . . . 754 LEU HD22 . 16159 1 23 . 1 1 5 5 LEU HD23 H 1 0.893 0.000 . 1 . . . . 754 LEU HD23 . 16159 1 24 . 1 1 5 5 LEU N N 15 123.650 0.014 . 1 . . . . 754 LEU N . 16159 1 25 . 1 1 6 6 MET H H 1 8.252 0.001 . 1 . . . . 755 MET H . 16159 1 26 . 1 1 6 6 MET HA H 1 4.492 0.004 . 1 . . . . 755 MET HA . 16159 1 27 . 1 1 6 6 MET HB2 H 1 1.996 0.009 . 1 . . . . 755 MET HB2 . 16159 1 28 . 1 1 6 6 MET HB3 H 1 1.996 0.009 . 1 . . . . 755 MET HB3 . 16159 1 29 . 1 1 6 6 MET HG2 H 1 2.515 0.000 . 1 . . . . 755 MET HG2 . 16159 1 30 . 1 1 6 6 MET HG3 H 1 2.515 0.000 . 1 . . . . 755 MET HG3 . 16159 1 31 . 1 1 6 6 MET N N 15 121.874 0.001 . 1 . . . . 755 MET N . 16159 1 32 . 1 1 7 7 ILE H H 1 8.124 0.003 . 1 . . . . 756 ILE H . 16159 1 33 . 1 1 7 7 ILE HA H 1 4.116 0.000 . 1 . . . . 756 ILE HA . 16159 1 34 . 1 1 7 7 ILE HB H 1 1.788 0.000 . 1 . . . . 756 ILE HB . 16159 1 35 . 1 1 7 7 ILE HG12 H 1 1.134 0.000 . 2 . . . . 756 ILE HG12 . 16159 1 36 . 1 1 7 7 ILE HG13 H 1 1.423 0.000 . 2 . . . . 756 ILE HG13 . 16159 1 37 . 1 1 7 7 ILE HG21 H 1 0.749 0.007 . 1 . . . . 756 ILE HG21 . 16159 1 38 . 1 1 7 7 ILE HG22 H 1 0.749 0.007 . 1 . . . . 756 ILE HG22 . 16159 1 39 . 1 1 7 7 ILE HG23 H 1 0.749 0.007 . 1 . . . . 756 ILE HG23 . 16159 1 40 . 1 1 7 7 ILE N N 15 123.096 0.005 . 1 . . . . 756 ILE N . 16159 1 41 . 1 1 8 8 ILE H H 1 8.190 0.003 . 1 . . . . 757 ILE H . 16159 1 42 . 1 1 8 8 ILE HA H 1 4.119 0.003 . 1 . . . . 757 ILE HA . 16159 1 43 . 1 1 8 8 ILE HB H 1 1.790 0.003 . 1 . . . . 757 ILE HB . 16159 1 44 . 1 1 8 8 ILE HG12 H 1 1.132 0.000 . 2 . . . . 757 ILE HG12 . 16159 1 45 . 1 1 8 8 ILE HG13 H 1 1.402 0.003 . 2 . . . . 757 ILE HG13 . 16159 1 46 . 1 1 8 8 ILE HG21 H 1 0.827 0.005 . 1 . . . . 757 ILE HG21 . 16159 1 47 . 1 1 8 8 ILE HG22 H 1 0.827 0.005 . 1 . . . . 757 ILE HG22 . 16159 1 48 . 1 1 8 8 ILE HG23 H 1 0.827 0.005 . 1 . . . . 757 ILE HG23 . 16159 1 49 . 1 1 8 8 ILE N N 15 125.448 0.022 . 1 . . . . 757 ILE N . 16159 1 50 . 1 1 9 9 HIS H H 1 8.627 0.002 . 1 . . . . 758 HIS H . 16159 1 51 . 1 1 9 9 HIS HA H 1 4.754 0.000 . 1 . . . . 758 HIS HA . 16159 1 52 . 1 1 9 9 HIS HB2 H 1 3.145 0.001 . 2 . . . . 758 HIS HB2 . 16159 1 53 . 1 1 9 9 HIS HB3 H 1 3.210 0.000 . 2 . . . . 758 HIS HB3 . 16159 1 54 . 1 1 9 9 HIS N N 15 123.194 0.044 . 1 . . . . 758 HIS N . 16159 1 55 . 1 1 10 10 ASP H H 1 8.349 0.005 . 1 . . . . 759 ASP H . 16159 1 56 . 1 1 10 10 ASP HA H 1 4.609 0.004 . 1 . . . . 759 ASP HA . 16159 1 57 . 1 1 10 10 ASP HB2 H 1 2.704 0.007 . 1 . . . . 759 ASP HB2 . 16159 1 58 . 1 1 10 10 ASP HB3 H 1 2.704 0.007 . 1 . . . . 759 ASP HB3 . 16159 1 59 . 1 1 10 10 ASP N N 15 121.824 0.011 . 1 . . . . 759 ASP N . 16159 1 60 . 1 1 11 11 ARG H H 1 8.475 0.001 . 1 . . . . 760 ARG H . 16159 1 61 . 1 1 11 11 ARG HA H 1 4.222 0.000 . 1 . . . . 760 ARG HA . 16159 1 62 . 1 1 11 11 ARG HB2 H 1 1.924 0.000 . 1 . . . . 760 ARG HB2 . 16159 1 63 . 1 1 11 11 ARG HB3 H 1 1.924 0.000 . 1 . . . . 760 ARG HB3 . 16159 1 64 . 1 1 11 11 ARG HD2 H 1 3.188 0.004 . 1 . . . . 760 ARG HD2 . 16159 1 65 . 1 1 11 11 ARG HD3 H 1 3.188 0.004 . 1 . . . . 760 ARG HD3 . 16159 1 66 . 1 1 11 11 ARG HE H 1 7.242 0.002 . 1 . . . . 760 ARG HE . 16159 1 67 . 1 1 11 11 ARG HG2 H 1 1.642 0.001 . 1 . . . . 760 ARG HG2 . 16159 1 68 . 1 1 11 11 ARG HG3 H 1 1.642 0.001 . 1 . . . . 760 ARG HG3 . 16159 1 69 . 1 1 11 11 ARG N N 15 122.310 0.056 . 1 . . . . 760 ARG N . 16159 1 70 . 1 1 11 11 ARG NE N 15 109.878 0.044 . 1 . . . . 760 ARG NE . 16159 1 71 . 1 1 12 12 ARG H H 1 8.445 0.005 . 1 . . . . 761 ARG H . 16159 1 72 . 1 1 12 12 ARG HA H 1 4.234 0.000 . 1 . . . . 761 ARG HA . 16159 1 73 . 1 1 12 12 ARG HB2 H 1 1.808 0.010 . 1 . . . . 761 ARG HB2 . 16159 1 74 . 1 1 12 12 ARG HB3 H 1 1.808 0.010 . 1 . . . . 761 ARG HB3 . 16159 1 75 . 1 1 12 12 ARG HD2 H 1 3.185 0.008 . 1 . . . . 761 ARG HD2 . 16159 1 76 . 1 1 12 12 ARG HD3 H 1 3.185 0.008 . 1 . . . . 761 ARG HD3 . 16159 1 77 . 1 1 12 12 ARG HE H 1 7.413 0.003 . 1 . . . . 761 ARG HE . 16159 1 78 . 1 1 12 12 ARG HG2 H 1 1.617 0.005 . 1 . . . . 761 ARG HG2 . 16159 1 79 . 1 1 12 12 ARG HG3 H 1 1.617 0.005 . 1 . . . . 761 ARG HG3 . 16159 1 80 . 1 1 12 12 ARG N N 15 121.597 0.012 . 1 . . . . 761 ARG N . 16159 1 81 . 1 1 12 12 ARG NE N 15 110.069 0.044 . 1 . . . . 761 ARG NE . 16159 1 82 . 1 1 13 13 GLU H H 1 8.323 0.005 . 1 . . . . 762 GLU H . 16159 1 83 . 1 1 13 13 GLU HA H 1 4.208 0.001 . 1 . . . . 762 GLU HA . 16159 1 84 . 1 1 13 13 GLU HB2 H 1 1.931 0.009 . 1 . . . . 762 GLU HB2 . 16159 1 85 . 1 1 13 13 GLU HB3 H 1 1.931 0.009 . 1 . . . . 762 GLU HB3 . 16159 1 86 . 1 1 13 13 GLU HG2 H 1 2.137 0.000 . 2 . . . . 762 GLU HG2 . 16159 1 87 . 1 1 13 13 GLU HG3 H 1 2.204 0.003 . 2 . . . . 762 GLU HG3 . 16159 1 88 . 1 1 13 13 GLU N N 15 120.703 0.053 . 1 . . . . 762 GLU N . 16159 1 89 . 1 1 14 14 PHE H H 1 8.088 0.002 . 1 . . . . 763 PHE H . 16159 1 90 . 1 1 14 14 PHE HA H 1 4.553 0.003 . 1 . . . . 763 PHE HA . 16159 1 91 . 1 1 14 14 PHE HB2 H 1 3.019 0.001 . 2 . . . . 763 PHE HB2 . 16159 1 92 . 1 1 14 14 PHE HB3 H 1 3.189 0.000 . 2 . . . . 763 PHE HB3 . 16159 1 93 . 1 1 14 14 PHE N N 15 120.255 0.047 . 1 . . . . 763 PHE N . 16159 1 94 . 1 1 15 15 ALA H H 1 8.113 0.005 . 1 . . . . 764 ALA H . 16159 1 95 . 1 1 15 15 ALA HA H 1 4.231 0.000 . 1 . . . . 764 ALA HA . 16159 1 96 . 1 1 15 15 ALA HB1 H 1 1.349 0.004 . 1 . . . . 764 ALA HB1 . 16159 1 97 . 1 1 15 15 ALA HB2 H 1 1.349 0.004 . 1 . . . . 764 ALA HB2 . 16159 1 98 . 1 1 15 15 ALA HB3 H 1 1.349 0.004 . 1 . . . . 764 ALA HB3 . 16159 1 99 . 1 1 15 15 ALA N N 15 124.184 0.024 . 1 . . . . 764 ALA N . 16159 1 100 . 1 1 16 16 LYS H H 1 8.004 0.002 . 1 . . . . 765 LYS H . 16159 1 101 . 1 1 16 16 LYS HA H 1 4.158 0.007 . 1 . . . . 765 LYS HA . 16159 1 102 . 1 1 16 16 LYS HB2 H 1 1.697 0.001 . 1 . . . . 765 LYS HB2 . 16159 1 103 . 1 1 16 16 LYS HB3 H 1 1.697 0.001 . 1 . . . . 765 LYS HB3 . 16159 1 104 . 1 1 16 16 LYS HG2 H 1 1.292 0.000 . 1 . . . . 765 LYS HG2 . 16159 1 105 . 1 1 16 16 LYS HG3 H 1 1.292 0.000 . 1 . . . . 765 LYS HG3 . 16159 1 106 . 1 1 16 16 LYS N N 15 119.631 0.057 . 1 . . . . 765 LYS N . 16159 1 107 . 1 1 17 17 PHE H H 1 8.052 0.005 . 1 . . . . 766 PHE H . 16159 1 108 . 1 1 17 17 PHE HA H 1 4.592 0.003 . 1 . . . . 766 PHE HA . 16159 1 109 . 1 1 17 17 PHE HB2 H 1 3.029 0.001 . 2 . . . . 766 PHE HB2 . 16159 1 110 . 1 1 17 17 PHE HB3 H 1 3.173 0.005 . 2 . . . . 766 PHE HB3 . 16159 1 111 . 1 1 17 17 PHE N N 15 120.046 0.015 . 1 . . . . 766 PHE N . 16159 1 112 . 1 1 18 18 GLU H H 1 8.175 0.001 . 1 . . . . 767 GLU H . 16159 1 113 . 1 1 18 18 GLU HA H 1 4.209 0.000 . 1 . . . . 767 GLU HA . 16159 1 114 . 1 1 18 18 GLU HB2 H 1 1.940 0.000 . 2 . . . . 767 GLU HB2 . 16159 1 115 . 1 1 18 18 GLU HB3 H 1 2.030 0.000 . 2 . . . . 767 GLU HB3 . 16159 1 116 . 1 1 18 18 GLU HG2 H 1 2.221 0.000 . 1 . . . . 767 GLU HG2 . 16159 1 117 . 1 1 18 18 GLU HG3 H 1 2.221 0.000 . 1 . . . . 767 GLU HG3 . 16159 1 118 . 1 1 18 18 GLU N N 15 121.797 0.025 . 1 . . . . 767 GLU N . 16159 1 119 . 1 1 19 19 LYS H H 1 8.171 0.002 . 1 . . . . 768 LYS H . 16159 1 120 . 1 1 19 19 LYS HA H 1 4.183 0.000 . 1 . . . . 768 LYS HA . 16159 1 121 . 1 1 19 19 LYS HB2 H 1 1.822 0.004 . 1 . . . . 768 LYS HB2 . 16159 1 122 . 1 1 19 19 LYS HB3 H 1 1.822 0.004 . 1 . . . . 768 LYS HB3 . 16159 1 123 . 1 1 19 19 LYS HD2 H 1 1.704 0.000 . 1 . . . . 768 LYS HD2 . 16159 1 124 . 1 1 19 19 LYS HD3 H 1 1.704 0.000 . 1 . . . . 768 LYS HD3 . 16159 1 125 . 1 1 19 19 LYS HG2 H 1 1.445 0.001 . 1 . . . . 768 LYS HG2 . 16159 1 126 . 1 1 19 19 LYS HG3 H 1 1.445 0.001 . 1 . . . . 768 LYS HG3 . 16159 1 127 . 1 1 19 19 LYS N N 15 121.451 0.040 . 1 . . . . 768 LYS N . 16159 1 128 . 1 1 20 20 GLU H H 1 8.336 0.002 . 1 . . . . 769 GLU H . 16159 1 129 . 1 1 20 20 GLU HA H 1 4.178 0.000 . 1 . . . . 769 GLU HA . 16159 1 130 . 1 1 20 20 GLU HB2 H 1 2.015 0.011 . 1 . . . . 769 GLU HB2 . 16159 1 131 . 1 1 20 20 GLU HB3 H 1 2.015 0.011 . 1 . . . . 769 GLU HB3 . 16159 1 132 . 1 1 20 20 GLU HG2 H 1 2.320 0.002 . 1 . . . . 769 GLU HG2 . 16159 1 133 . 1 1 20 20 GLU HG3 H 1 2.320 0.002 . 1 . . . . 769 GLU HG3 . 16159 1 134 . 1 1 20 20 GLU N N 15 120.342 0.028 . 1 . . . . 769 GLU N . 16159 1 135 . 1 1 21 21 LYS H H 1 8.103 0.004 . 1 . . . . 770 LYS H . 16159 1 136 . 1 1 21 21 LYS HA H 1 4.225 0.005 . 1 . . . . 770 LYS HA . 16159 1 137 . 1 1 21 21 LYS HB2 H 1 1.761 0.005 . 2 . . . . 770 LYS HB2 . 16159 1 138 . 1 1 21 21 LYS HB3 H 1 1.803 0.005 . 2 . . . . 770 LYS HB3 . 16159 1 139 . 1 1 21 21 LYS HD2 H 1 1.654 0.000 . 1 . . . . 770 LYS HD2 . 16159 1 140 . 1 1 21 21 LYS HD3 H 1 1.654 0.000 . 1 . . . . 770 LYS HD3 . 16159 1 141 . 1 1 21 21 LYS HE2 H 1 2.980 0.000 . 1 . . . . 770 LYS HE2 . 16159 1 142 . 1 1 21 21 LYS HE3 H 1 2.980 0.000 . 1 . . . . 770 LYS HE3 . 16159 1 143 . 1 1 21 21 LYS HG2 H 1 1.392 0.001 . 1 . . . . 770 LYS HG2 . 16159 1 144 . 1 1 21 21 LYS HG3 H 1 1.392 0.001 . 1 . . . . 770 LYS HG3 . 16159 1 145 . 1 1 21 21 LYS N N 15 120.927 0.016 . 1 . . . . 770 LYS N . 16159 1 146 . 1 1 22 22 MET H H 1 8.154 0.006 . 1 . . . . 771 MET H . 16159 1 147 . 1 1 22 22 MET HA H 1 4.398 0.005 . 1 . . . . 771 MET HA . 16159 1 148 . 1 1 22 22 MET HB2 H 1 2.044 0.010 . 1 . . . . 771 MET HB2 . 16159 1 149 . 1 1 22 22 MET HB3 H 1 2.040 0.010 . 1 . . . . 771 MET HB3 . 16159 1 150 . 1 1 22 22 MET HG2 H 1 2.553 0.000 . 1 . . . . 771 MET HG2 . 16159 1 151 . 1 1 22 22 MET HG3 H 1 2.553 0.000 . 1 . . . . 771 MET HG3 . 16159 1 152 . 1 1 22 22 MET N N 15 120.206 0.020 . 1 . . . . 771 MET N . 16159 1 153 . 1 1 23 23 ASN H H 1 8.286 0.004 . 1 . . . . 772 ASN H . 16159 1 154 . 1 1 23 23 ASN HA H 1 4.650 0.008 . 1 . . . . 772 ASN HA . 16159 1 155 . 1 1 23 23 ASN HB2 H 1 2.751 0.018 . 1 . . . . 772 ASN HB2 . 16159 1 156 . 1 1 23 23 ASN HB3 H 1 2.751 0.018 . 1 . . . . 772 ASN HB3 . 16159 1 157 . 1 1 23 23 ASN HD21 H 1 6.873 0.001 . 1 . . . . 772 ASN HD21 . 16159 1 158 . 1 1 23 23 ASN HD22 H 1 7.560 0.004 . 1 . . . . 772 ASN HD22 . 16159 1 159 . 1 1 23 23 ASN N N 15 119.446 0.040 . 1 . . . . 772 ASN N . 16159 1 160 . 1 1 23 23 ASN ND2 N 15 112.699 0.030 . 1 . . . . 772 ASN ND2 . 16159 1 161 . 1 1 24 24 ALA H H 1 8.099 0.001 . 1 . . . . 773 ALA H . 16159 1 162 . 1 1 24 24 ALA HA H 1 4.213 0.000 . 1 . . . . 773 ALA HA . 16159 1 163 . 1 1 24 24 ALA HB1 H 1 1.291 0.000 . 1 . . . . 773 ALA HB1 . 16159 1 164 . 1 1 24 24 ALA HB2 H 1 1.291 0.000 . 1 . . . . 773 ALA HB2 . 16159 1 165 . 1 1 24 24 ALA HB3 H 1 1.291 0.000 . 1 . . . . 773 ALA HB3 . 16159 1 166 . 1 1 24 24 ALA N N 15 124.122 0.050 . 1 . . . . 773 ALA N . 16159 1 167 . 1 1 25 25 LYS H H 1 8.097 0.005 . 1 . . . . 774 LYS H . 16159 1 168 . 1 1 25 25 LYS HA H 1 4.227 0.002 . 1 . . . . 774 LYS HA . 16159 1 169 . 1 1 25 25 LYS HB2 H 1 1.655 0.002 . 1 . . . . 774 LYS HB2 . 16159 1 170 . 1 1 25 25 LYS HB3 H 1 1.655 0.002 . 1 . . . . 774 LYS HB3 . 16159 1 171 . 1 1 25 25 LYS HG2 H 1 1.280 0.008 . 1 . . . . 774 LYS HG2 . 16159 1 172 . 1 1 25 25 LYS HG3 H 1 1.277 0.007 . 1 . . . . 774 LYS HG3 . 16159 1 173 . 1 1 25 25 LYS N N 15 119.550 0.081 . 1 . . . . 774 LYS N . 16159 1 174 . 1 1 26 26 TRP H H 1 7.960 0.002 . 1 . . . . 775 TRP H . 16159 1 175 . 1 1 26 26 TRP HA H 1 4.744 0.007 . 1 . . . . 775 TRP HA . 16159 1 176 . 1 1 26 26 TRP HB2 H 1 3.222 0.010 . 2 . . . . 775 TRP HB2 . 16159 1 177 . 1 1 26 26 TRP HB3 H 1 3.323 0.004 . 2 . . . . 775 TRP HB3 . 16159 1 178 . 1 1 26 26 TRP HD1 H 1 7.228 0.002 . 1 . . . . 775 TRP HD1 . 16159 1 179 . 1 1 26 26 TRP HE1 H 1 10.113 0.001 . 1 . . . . 775 TRP HE1 . 16159 1 180 . 1 1 26 26 TRP HZ2 H 1 7.468 0.001 . 1 . . . . 775 TRP HZ2 . 16159 1 181 . 1 1 26 26 TRP N N 15 121.298 0.002 . 1 . . . . 775 TRP N . 16159 1 182 . 1 1 26 26 TRP NE1 N 15 129.304 0.036 . 1 . . . . 775 TRP NE1 . 16159 1 183 . 1 1 27 27 ASP H H 1 8.212 0.004 . 1 . . . . 776 ASP H . 16159 1 184 . 1 1 27 27 ASP HA H 1 4.648 0.009 . 1 . . . . 776 ASP HA . 16159 1 185 . 1 1 27 27 ASP HB2 H 1 2.546 0.001 . 2 . . . . 776 ASP HB2 . 16159 1 186 . 1 1 27 27 ASP HB3 H 1 2.598 0.007 . 2 . . . . 776 ASP HB3 . 16159 1 187 . 1 1 27 27 ASP N N 15 121.951 0.017 . 1 . . . . 776 ASP N . 16159 1 188 . 1 1 28 28 THR H H 1 8.066 0.005 . 1 . . . . 777 THR H . 16159 1 189 . 1 1 28 28 THR HA H 1 4.289 0.002 . 1 . . . . 777 THR HA . 16159 1 190 . 1 1 28 28 THR HB H 1 4.291 0.000 . 1 . . . . 777 THR HB . 16159 1 191 . 1 1 28 28 THR HG21 H 1 1.186 0.009 . 1 . . . . 777 THR HG21 . 16159 1 192 . 1 1 28 28 THR HG22 H 1 1.186 0.009 . 1 . . . . 777 THR HG22 . 16159 1 193 . 1 1 28 28 THR HG23 H 1 1.186 0.009 . 1 . . . . 777 THR HG23 . 16159 1 194 . 1 1 28 28 THR N N 15 113.696 0.034 . 1 . . . . 777 THR N . 16159 1 195 . 1 1 29 29 GLY H H 1 8.414 0.002 . 1 . . . . 778 GLY H . 16159 1 196 . 1 1 29 29 GLY HA2 H 1 3.945 0.002 . 2 . . . . 778 GLY HA2 . 16159 1 197 . 1 1 29 29 GLY HA3 H 1 3.990 0.001 . 2 . . . . 778 GLY HA3 . 16159 1 198 . 1 1 29 29 GLY N N 15 110.755 0.012 . 1 . . . . 778 GLY N . 16159 1 199 . 1 1 30 30 GLU H H 1 8.129 0.005 . 1 . . . . 779 GLU H . 16159 1 200 . 1 1 30 30 GLU HA H 1 4.292 0.006 . 1 . . . . 779 GLU HA . 16159 1 201 . 1 1 30 30 GLU HB2 H 1 1.898 0.003 . 2 . . . . 779 GLU HB2 . 16159 1 202 . 1 1 30 30 GLU HB3 H 1 2.035 0.001 . 2 . . . . 779 GLU HB3 . 16159 1 203 . 1 1 30 30 GLU HG2 H 1 2.246 0.009 . 1 . . . . 779 GLU HG2 . 16159 1 204 . 1 1 30 30 GLU HG3 H 1 2.246 0.009 . 1 . . . . 779 GLU HG3 . 16159 1 205 . 1 1 30 30 GLU N N 15 119.850 0.064 . 1 . . . . 779 GLU N . 16159 1 206 . 1 1 31 31 ASN H H 1 8.425 0.004 . 1 . . . . 780 ASN H . 16159 1 207 . 1 1 31 31 ASN HA H 1 4.854 0.000 . 1 . . . . 780 ASN HA . 16159 1 208 . 1 1 31 31 ASN HB2 H 1 2.664 0.001 . 2 . . . . 780 ASN HB2 . 16159 1 209 . 1 1 31 31 ASN HB3 H 1 2.807 0.003 . 2 . . . . 780 ASN HB3 . 16159 1 210 . 1 1 31 31 ASN HD21 H 1 6.893 0.001 . 1 . . . . 780 ASN HD21 . 16159 1 211 . 1 1 31 31 ASN HD22 H 1 7.615 0.001 . 1 . . . . 780 ASN HD22 . 16159 1 212 . 1 1 31 31 ASN N N 15 120.946 0.021 . 1 . . . . 780 ASN N . 16159 1 213 . 1 1 31 31 ASN ND2 N 15 113.115 0.022 . 1 . . . . 780 ASN ND2 . 16159 1 214 . 1 1 32 32 PRO HA H 1 4.353 0.000 . 1 . . . . 781 PRO HA . 16159 1 215 . 1 1 32 32 PRO HB2 H 1 2.189 0.010 . 1 . . . . 781 PRO HB2 . 16159 1 216 . 1 1 32 32 PRO HB3 H 1 2.189 0.010 . 1 . . . . 781 PRO HB3 . 16159 1 217 . 1 1 32 32 PRO HD2 H 1 3.684 0.016 . 1 . . . . 781 PRO HD2 . 16159 1 218 . 1 1 32 32 PRO HD3 H 1 3.684 0.016 . 1 . . . . 781 PRO HD3 . 16159 1 219 . 1 1 32 32 PRO HG2 H 1 1.946 0.000 . 1 . . . . 781 PRO HG2 . 16159 1 220 . 1 1 32 32 PRO HG3 H 1 1.946 0.000 . 1 . . . . 781 PRO HG3 . 16159 1 221 . 1 1 33 33 ILE H H 1 7.984 0.002 . 1 . . . . 782 ILE H . 16159 1 222 . 1 1 33 33 ILE HA H 1 4.037 0.001 . 1 . . . . 782 ILE HA . 16159 1 223 . 1 1 33 33 ILE HB H 1 1.735 0.004 . 1 . . . . 782 ILE HB . 16159 1 224 . 1 1 33 33 ILE HG12 H 1 1.088 0.000 . 2 . . . . 782 ILE HG12 . 16159 1 225 . 1 1 33 33 ILE HG13 H 1 1.301 0.003 . 2 . . . . 782 ILE HG13 . 16159 1 226 . 1 1 33 33 ILE HG21 H 1 0.741 0.012 . 1 . . . . 782 ILE HG21 . 16159 1 227 . 1 1 33 33 ILE HG22 H 1 0.741 0.012 . 1 . . . . 782 ILE HG22 . 16159 1 228 . 1 1 33 33 ILE HG23 H 1 0.741 0.012 . 1 . . . . 782 ILE HG23 . 16159 1 229 . 1 1 33 33 ILE N N 15 119.364 0.018 . 1 . . . . 782 ILE N . 16159 1 230 . 1 1 34 34 TYR H H 1 7.920 0.002 . 1 . . . . 783 TYR H . 16159 1 231 . 1 1 34 34 TYR HA H 1 4.607 0.001 . 1 . . . . 783 TYR HA . 16159 1 232 . 1 1 34 34 TYR HB2 H 1 2.901 0.006 . 2 . . . . 783 TYR HB2 . 16159 1 233 . 1 1 34 34 TYR HB3 H 1 3.079 0.007 . 2 . . . . 783 TYR HB3 . 16159 1 234 . 1 1 34 34 TYR HD1 H 1 7.101 0.002 . 3 . . . . 783 TYR HD1 . 16159 1 235 . 1 1 34 34 TYR HD2 H 1 7.101 0.002 . 3 . . . . 783 TYR HD2 . 16159 1 236 . 1 1 34 34 TYR N N 15 122.792 0.020 . 1 . . . . 783 TYR N . 16159 1 237 . 1 1 35 35 LYS H H 1 8.015 0.012 . 1 . . . . 784 LYS H . 16159 1 238 . 1 1 35 35 LYS HA H 1 4.295 0.003 . 1 . . . . 784 LYS HA . 16159 1 239 . 1 1 35 35 LYS HB2 H 1 1.696 0.003 . 2 . . . . 784 LYS HB2 . 16159 1 240 . 1 1 35 35 LYS HB3 H 1 1.801 0.001 . 2 . . . . 784 LYS HB3 . 16159 1 241 . 1 1 35 35 LYS HG2 H 1 1.364 0.007 . 1 . . . . 784 LYS HG2 . 16159 1 242 . 1 1 35 35 LYS HG3 H 1 1.364 0.007 . 1 . . . . 784 LYS HG3 . 16159 1 243 . 1 1 35 35 LYS N N 15 122.986 0.021 . 1 . . . . 784 LYS N . 16159 1 244 . 1 1 36 36 SER H H 1 8.176 0.004 . 1 . . . . 785 SER H . 16159 1 245 . 1 1 36 36 SER HA H 1 4.399 0.000 . 1 . . . . 785 SER HA . 16159 1 246 . 1 1 36 36 SER HB2 H 1 3.870 0.002 . 1 . . . . 785 SER HB2 . 16159 1 247 . 1 1 36 36 SER HB3 H 1 3.870 0.002 . 1 . . . . 785 SER HB3 . 16159 1 248 . 1 1 36 36 SER N N 15 116.935 0.015 . 1 . . . . 785 SER N . 16159 1 249 . 1 1 37 37 ALA H H 1 8.328 0.001 . 1 . . . . 786 ALA H . 16159 1 250 . 1 1 37 37 ALA HA H 1 4.386 0.005 . 1 . . . . 786 ALA HA . 16159 1 251 . 1 1 37 37 ALA HB1 H 1 1.401 0.003 . 1 . . . . 786 ALA HB1 . 16159 1 252 . 1 1 37 37 ALA HB2 H 1 1.401 0.003 . 1 . . . . 786 ALA HB2 . 16159 1 253 . 1 1 37 37 ALA HB3 H 1 1.401 0.003 . 1 . . . . 786 ALA HB3 . 16159 1 254 . 1 1 37 37 ALA N N 15 126.179 0.015 . 1 . . . . 786 ALA N . 16159 1 255 . 1 1 38 38 VAL H H 1 8.094 0.002 . 1 . . . . 787 VAL H . 16159 1 256 . 1 1 38 38 VAL HA H 1 4.201 0.000 . 1 . . . . 787 VAL HA . 16159 1 257 . 1 1 38 38 VAL HB H 1 2.096 0.003 . 1 . . . . 787 VAL HB . 16159 1 258 . 1 1 38 38 VAL HG11 H 1 0.939 0.005 . 1 . . . . 787 VAL HG11 . 16159 1 259 . 1 1 38 38 VAL HG12 H 1 0.939 0.005 . 1 . . . . 787 VAL HG12 . 16159 1 260 . 1 1 38 38 VAL HG13 H 1 0.939 0.005 . 1 . . . . 787 VAL HG13 . 16159 1 261 . 1 1 38 38 VAL HG21 H 1 0.939 0.005 . 1 . . . . 787 VAL HG21 . 16159 1 262 . 1 1 38 38 VAL HG22 H 1 0.939 0.005 . 1 . . . . 787 VAL HG22 . 16159 1 263 . 1 1 38 38 VAL HG23 H 1 0.939 0.005 . 1 . . . . 787 VAL HG23 . 16159 1 264 . 1 1 38 38 VAL N N 15 119.075 0.013 . 1 . . . . 787 VAL N . 16159 1 265 . 1 1 39 39 THR H H 1 8.226 0.004 . 1 . . . . 788 THR H . 16159 1 266 . 1 1 39 39 THR HA H 1 4.440 0.006 . 1 . . . . 788 THR HA . 16159 1 267 . 1 1 39 39 THR HB H 1 4.192 0.000 . 1 . . . . 788 THR HB . 16159 1 268 . 1 1 39 39 THR HG21 H 1 1.199 0.000 . 1 . . . . 788 THR HG21 . 16159 1 269 . 1 1 39 39 THR HG22 H 1 1.199 0.000 . 1 . . . . 788 THR HG22 . 16159 1 270 . 1 1 39 39 THR HG23 H 1 1.199 0.000 . 1 . . . . 788 THR HG23 . 16159 1 271 . 1 1 39 39 THR N N 15 118.126 0.012 . 1 . . . . 788 THR N . 16159 1 272 . 1 1 40 40 THR H H 1 8.140 0.003 . 1 . . . . 789 THR H . 16159 1 273 . 1 1 40 40 THR HA H 1 4.362 0.002 . 1 . . . . 789 THR HA . 16159 1 274 . 1 1 40 40 THR HB H 1 4.184 0.000 . 1 . . . . 789 THR HB . 16159 1 275 . 1 1 40 40 THR HG21 H 1 1.187 0.004 . 1 . . . . 789 THR HG21 . 16159 1 276 . 1 1 40 40 THR HG22 H 1 1.187 0.004 . 1 . . . . 789 THR HG22 . 16159 1 277 . 1 1 40 40 THR HG23 H 1 1.187 0.004 . 1 . . . . 789 THR HG23 . 16159 1 278 . 1 1 40 40 THR N N 15 117.546 0.037 . 1 . . . . 789 THR N . 16159 1 279 . 1 1 41 41 VAL H H 1 8.174 0.001 . 1 . . . . 790 VAL H . 16159 1 280 . 1 1 41 41 VAL HA H 1 4.140 0.003 . 1 . . . . 790 VAL HA . 16159 1 281 . 1 1 41 41 VAL HB H 1 2.032 0.000 . 1 . . . . 790 VAL HB . 16159 1 282 . 1 1 41 41 VAL HG11 H 1 0.920 0.000 . 1 . . . . 790 VAL HG11 . 16159 1 283 . 1 1 41 41 VAL HG12 H 1 0.920 0.000 . 1 . . . . 790 VAL HG12 . 16159 1 284 . 1 1 41 41 VAL HG13 H 1 0.920 0.000 . 1 . . . . 790 VAL HG13 . 16159 1 285 . 1 1 41 41 VAL HG21 H 1 0.920 0.000 . 1 . . . . 790 VAL HG21 . 16159 1 286 . 1 1 41 41 VAL HG22 H 1 0.920 0.000 . 1 . . . . 790 VAL HG22 . 16159 1 287 . 1 1 41 41 VAL HG23 H 1 0.920 0.000 . 1 . . . . 790 VAL HG23 . 16159 1 288 . 1 1 41 41 VAL N N 15 123.542 0.003 . 1 . . . . 790 VAL N . 16159 1 289 . 1 1 42 42 VAL H H 1 8.250 0.002 . 1 . . . . 791 VAL H . 16159 1 290 . 1 1 42 42 VAL HA H 1 4.092 0.010 . 1 . . . . 791 VAL HA . 16159 1 291 . 1 1 42 42 VAL HB H 1 2.015 0.006 . 1 . . . . 791 VAL HB . 16159 1 292 . 1 1 42 42 VAL HG11 H 1 0.906 0.006 . 1 . . . . 791 VAL HG11 . 16159 1 293 . 1 1 42 42 VAL HG12 H 1 0.906 0.006 . 1 . . . . 791 VAL HG12 . 16159 1 294 . 1 1 42 42 VAL HG13 H 1 0.906 0.006 . 1 . . . . 791 VAL HG13 . 16159 1 295 . 1 1 42 42 VAL HG21 H 1 0.906 0.006 . 1 . . . . 791 VAL HG21 . 16159 1 296 . 1 1 42 42 VAL HG22 H 1 0.906 0.006 . 1 . . . . 791 VAL HG22 . 16159 1 297 . 1 1 42 42 VAL HG23 H 1 0.906 0.006 . 1 . . . . 791 VAL HG23 . 16159 1 298 . 1 1 42 42 VAL N N 15 124.763 0.167 . 1 . . . . 791 VAL N . 16159 1 299 . 1 1 43 43 ASN H H 1 8.533 0.002 . 1 . . . . 792 ASN H . 16159 1 300 . 1 1 43 43 ASN HA H 1 4.974 0.001 . 1 . . . . 792 ASN HA . 16159 1 301 . 1 1 43 43 ASN HB2 H 1 2.690 0.002 . 2 . . . . 792 ASN HB2 . 16159 1 302 . 1 1 43 43 ASN HB3 H 1 2.852 0.006 . 2 . . . . 792 ASN HB3 . 16159 1 303 . 1 1 43 43 ASN HD21 H 1 6.919 0.001 . 1 . . . . 792 ASN HD21 . 16159 1 304 . 1 1 43 43 ASN HD22 H 1 7.627 0.003 . 1 . . . . 792 ASN HD22 . 16159 1 305 . 1 1 43 43 ASN N N 15 123.929 0.037 . 1 . . . . 792 ASN N . 16159 1 306 . 1 1 43 43 ASN ND2 N 15 112.814 0.023 . 1 . . . . 792 ASN ND2 . 16159 1 307 . 1 1 44 44 PRO HB2 H 1 2.245 0.000 . 1 . . . . 793 PRO HB2 . 16159 1 308 . 1 1 44 44 PRO HB3 H 1 2.245 0.000 . 1 . . . . 793 PRO HB3 . 16159 1 309 . 1 1 44 44 PRO HD2 H 1 3.767 0.018 . 1 . . . . 793 PRO HD2 . 16159 1 310 . 1 1 44 44 PRO HD3 H 1 3.767 0.018 . 1 . . . . 793 PRO HD3 . 16159 1 311 . 1 1 44 44 PRO HG2 H 1 1.831 0.000 . 1 . . . . 793 PRO HG2 . 16159 1 312 . 1 1 44 44 PRO HG3 H 1 1.831 0.000 . 1 . . . . 793 PRO HG3 . 16159 1 313 . 1 1 45 45 LYS H H 1 8.180 0.002 . 1 . . . . 794 LYS H . 16159 1 314 . 1 1 45 45 LYS HA H 1 4.231 0.003 . 1 . . . . 794 LYS HA . 16159 1 315 . 1 1 45 45 LYS HB2 H 1 1.686 0.003 . 1 . . . . 794 LYS HB2 . 16159 1 316 . 1 1 45 45 LYS HB3 H 1 1.686 0.003 . 1 . . . . 794 LYS HB3 . 16159 1 317 . 1 1 45 45 LYS HG2 H 1 1.306 0.000 . 2 . . . . 794 LYS HG2 . 16159 1 318 . 1 1 45 45 LYS HG3 H 1 1.368 0.000 . 2 . . . . 794 LYS HG3 . 16159 1 319 . 1 1 45 45 LYS N N 15 120.395 0.025 . 1 . . . . 794 LYS N . 16159 1 320 . 1 1 46 46 TYR H H 1 8.132 0.002 . 1 . . . . 795 TYR H . 16159 1 321 . 1 1 46 46 TYR HA H 1 4.592 0.000 . 1 . . . . 795 TYR HA . 16159 1 322 . 1 1 46 46 TYR HB2 H 1 2.967 0.003 . 2 . . . . 795 TYR HB2 . 16159 1 323 . 1 1 46 46 TYR HB3 H 1 3.053 0.000 . 2 . . . . 795 TYR HB3 . 16159 1 324 . 1 1 46 46 TYR HD1 H 1 7.143 0.000 . 3 . . . . 795 TYR HD1 . 16159 1 325 . 1 1 46 46 TYR HD2 H 1 7.143 0.000 . 3 . . . . 795 TYR HD2 . 16159 1 326 . 1 1 46 46 TYR N N 15 121.554 0.054 . 1 . . . . 795 TYR N . 16159 1 327 . 1 1 47 47 GLU H H 1 8.273 0.004 . 1 . . . . 796 GLU H . 16159 1 328 . 1 1 47 47 GLU HA H 1 4.310 0.002 . 1 . . . . 796 GLU HA . 16159 1 329 . 1 1 47 47 GLU HB2 H 1 1.878 0.000 . 1 . . . . 796 GLU HB2 . 16159 1 330 . 1 1 47 47 GLU HB3 H 1 1.878 0.000 . 1 . . . . 796 GLU HB3 . 16159 1 331 . 1 1 47 47 GLU HG2 H 1 2.068 0.000 . 2 . . . . 796 GLU HG2 . 16159 1 332 . 1 1 47 47 GLU HG3 H 1 2.228 0.000 . 2 . . . . 796 GLU HG3 . 16159 1 333 . 1 1 47 47 GLU N N 15 123.503 0.034 . 1 . . . . 796 GLU N . 16159 1 334 . 1 1 48 48 GLY H H 1 7.765 0.007 . 1 . . . . 797 GLY H . 16159 1 335 . 1 1 48 48 GLY HA2 H 1 3.887 0.001 . 1 . . . . 797 GLY HA2 . 16159 1 336 . 1 1 48 48 GLY HA3 H 1 3.887 0.001 . 1 . . . . 797 GLY HA3 . 16159 1 337 . 1 1 48 48 GLY N N 15 109.569 0.014 . 1 . . . . 797 GLY N . 16159 1 338 . 1 1 49 49 LYS H H 1 7.764 0.005 . 1 . . . . 798 LYS H . 16159 1 339 . 1 1 49 49 LYS HA H 1 4.223 0.000 . 1 . . . . 798 LYS HA . 16159 1 340 . 1 1 49 49 LYS HB2 H 1 1.718 0.000 . 1 . . . . 798 LYS HB2 . 16159 1 341 . 1 1 49 49 LYS HB3 H 1 1.718 0.000 . 1 . . . . 798 LYS HB3 . 16159 1 342 . 1 1 49 49 LYS HD2 H 1 1.872 0.000 . 1 . . . . 798 LYS HD2 . 16159 1 343 . 1 1 49 49 LYS HD3 H 1 1.872 0.000 . 1 . . . . 798 LYS HD3 . 16159 1 344 . 1 1 49 49 LYS HG2 H 1 1.396 0.000 . 1 . . . . 798 LYS HG2 . 16159 1 345 . 1 1 49 49 LYS HG3 H 1 1.396 0.000 . 1 . . . . 798 LYS HG3 . 16159 1 346 . 1 1 49 49 LYS N N 15 125.440 0.018 . 1 . . . . 798 LYS N . 16159 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 16159 _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 . _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' . . . 16159 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 LYS H H 1 8.488 0.000 . 1 . . . . 752 K HN . 16159 2 2 . 1 1 3 3 LYS N N 15 122.328 0.000 . 1 . . . . 752 K N . 16159 2 3 . 1 1 4 4 LEU H H 1 8.269 0.000 . 1 . . . . 753 L HN . 16159 2 4 . 1 1 4 4 LEU N N 15 124.262 0.000 . 1 . . . . 753 L N . 16159 2 5 . 1 1 5 5 LEU H H 1 8.222 0.000 . 1 . . . . 754 L HN . 16159 2 6 . 1 1 5 5 LEU N N 15 123.560 0.000 . 1 . . . . 754 L N . 16159 2 7 . 1 1 6 6 MET H H 1 8.263 0.000 . 1 . . . . 755 M HN . 16159 2 8 . 1 1 6 6 MET N N 15 121.864 0.000 . 1 . . . . 755 M N . 16159 2 9 . 1 1 7 7 ILE H H 1 8.126 0.000 . 1 . . . . 756 I HN . 16159 2 10 . 1 1 7 7 ILE N N 15 123.117 0.000 . 1 . . . . 756 I N . 16159 2 11 . 1 1 8 8 ILE H H 1 8.193 0.000 . 1 . . . . 757 I HN . 16159 2 12 . 1 1 8 8 ILE N N 15 125.403 0.000 . 1 . . . . 757 I N . 16159 2 13 . 1 1 9 9 HIS H H 1 8.528 0.000 . 1 . . . . 758 H HN . 16159 2 14 . 1 1 9 9 HIS N N 15 123.710 0.000 . 1 . . . . 758 H N . 16159 2 15 . 1 1 10 10 ASP H H 1 8.363 0.000 . 1 . . . . 759 D HN . 16159 2 16 . 1 1 10 10 ASP N N 15 121.944 0.000 . 1 . . . . 759 D N . 16159 2 17 . 1 1 11 11 ARG H H 1 8.466 0.000 . 1 . . . . 760 R HN . 16159 2 18 . 1 1 11 11 ARG N N 15 122.427 0.000 . 1 . . . . 760 R N . 16159 2 19 . 1 1 12 12 ARG H H 1 8.420 0.000 . 1 . . . . 761 R HN . 16159 2 20 . 1 1 12 12 ARG N N 15 121.742 0.000 . 1 . . . . 761 R N . 16159 2 21 . 1 1 13 13 GLU H H 1 8.350 0.000 . 1 . . . . 762 E HN . 16159 2 22 . 1 1 13 13 GLU N N 15 120.893 0.000 . 1 . . . . 762 E N . 16159 2 23 . 1 1 14 14 PHE H H 1 8.103 0.000 . 1 . . . . 763 F HN . 16159 2 24 . 1 1 14 14 PHE N N 15 120.307 0.000 . 1 . . . . 763 F N . 16159 2 25 . 1 1 15 15 ALA H H 1 8.135 0.000 . 1 . . . . 764 A HN . 16159 2 26 . 1 1 15 15 ALA N N 15 124.283 0.000 . 1 . . . . 764 A N . 16159 2 27 . 1 1 16 16 LYS H H 1 8.023 0.000 . 1 . . . . 765 K HN . 16159 2 28 . 1 1 16 16 LYS N N 15 119.744 0.000 . 1 . . . . 765 K N . 16159 2 29 . 1 1 17 17 PHE H H 1 8.068 0.000 . 1 . . . . 766 F HN . 16159 2 30 . 1 1 17 17 PHE N N 15 120.170 0.000 . 1 . . . . 766 F N . 16159 2 31 . 1 1 18 18 GLU H H 1 8.196 0.000 . 1 . . . . 767 E HN . 16159 2 32 . 1 1 18 18 GLU N N 15 122.025 0.000 . 1 . . . . 767 E N . 16159 2 33 . 1 1 19 19 LYS H H 1 8.179 0.000 . 1 . . . . 768 K HN . 16159 2 34 . 1 1 19 19 LYS N N 15 121.619 0.000 . 1 . . . . 768 K N . 16159 2 35 . 1 1 20 20 GLU H H 1 8.364 0.000 . 1 . . . . 769 E HN . 16159 2 36 . 1 1 20 20 GLU N N 15 120.498 0.000 . 1 . . . . 769 E N . 16159 2 37 . 1 1 21 21 LYS H H 1 8.104 0.000 . 1 . . . . 770 K HN . 16159 2 38 . 1 1 21 21 LYS N N 15 121.047 0.000 . 1 . . . . 770 K N . 16159 2 39 . 1 1 22 22 MET H H 1 8.165 0.000 . 1 . . . . 771 M HN . 16159 2 40 . 1 1 22 22 MET N N 15 120.282 0.000 . 1 . . . . 771 M N . 16159 2 41 . 1 1 23 23 ASN H H 1 8.285 0.000 . 1 . . . . 772 N HN . 16159 2 42 . 1 1 23 23 ASN HD21 H 1 7.584 0.000 . 2 . . . . 772 N HD21 . 16159 2 43 . 1 1 23 23 ASN HD22 H 1 6.892 0.000 . 2 . . . . 772 N HD22 . 16159 2 44 . 1 1 23 23 ASN N N 15 119.448 0.000 . 1 . . . . 772 N N . 16159 2 45 . 1 1 23 23 ASN ND2 N 15 112.908 0.002 . 1 . . . . 772 N ND2 . 16159 2 46 . 1 1 24 24 ALA H H 1 8.109 0.000 . 1 . . . . 773 A HN . 16159 2 47 . 1 1 24 24 ALA N N 15 124.231 0.000 . 1 . . . . 773 A N . 16159 2 48 . 1 1 25 25 LYS H H 1 8.101 0.000 . 1 . . . . 774 K HN . 16159 2 49 . 1 1 25 25 LYS N N 15 119.674 0.000 . 1 . . . . 774 K N . 16159 2 50 . 1 1 26 26 TRP H H 1 7.957 0.000 . 1 . . . . 775 W HN . 16159 2 51 . 1 1 26 26 TRP HE1 H 1 10.128 0.000 . 1 . . . . 775 W HE1 . 16159 2 52 . 1 1 26 26 TRP N N 15 121.321 0.000 . 1 . . . . 775 W N . 16159 2 53 . 1 1 26 26 TRP NE1 N 15 129.475 0.000 . 1 . . . . 775 W NE1 . 16159 2 54 . 1 1 27 27 ASP H H 1 8.241 0.000 . 1 . . . . 776 D HN . 16159 2 55 . 1 1 27 27 ASP N N 15 122.187 0.000 . 1 . . . . 776 D N . 16159 2 56 . 1 1 28 28 THR H H 1 8.084 0.000 . 1 . . . . 777 T HN . 16159 2 57 . 1 1 28 28 THR N N 15 113.729 0.000 . 1 . . . . 777 T N . 16159 2 58 . 1 1 29 29 GLY H H 1 8.431 0.000 . 1 . . . . 778 G HN . 16159 2 59 . 1 1 29 29 GLY N N 15 110.931 0.000 . 1 . . . . 778 G N . 16159 2 60 . 1 1 30 30 GLU H H 1 8.155 0.000 . 1 . . . . 779 E HN . 16159 2 61 . 1 1 30 30 GLU N N 15 120.044 0.000 . 1 . . . . 779 E N . 16159 2 62 . 1 1 31 31 ASN H H 1 8.444 0.000 . 1 . . . . 780 N HN . 16159 2 63 . 1 1 31 31 ASN HD21 H 1 7.627 0.000 . 2 . . . . 780 N HD21 . 16159 2 64 . 1 1 31 31 ASN HD22 H 1 6.908 0.000 . 2 . . . . 780 N HD22 . 16159 2 65 . 1 1 31 31 ASN N N 15 120.911 0.000 . 1 . . . . 780 N N . 16159 2 66 . 1 1 31 31 ASN ND2 N 15 113.334 0.000 . 1 . . . . 780 N ND2 . 16159 2 67 . 1 1 33 33 ILE H H 1 7.999 0.000 . 1 . . . . 782 I HN . 16159 2 68 . 1 1 33 33 ILE N N 15 119.512 0.000 . 1 . . . . 782 I N . 16159 2 69 . 1 1 34 34 TYR H H 1 7.947 0.000 . 1 . . . . 783 Y HN . 16159 2 70 . 1 1 34 34 TYR N N 15 123.048 0.000 . 1 . . . . 783 Y N . 16159 2 71 . 1 1 35 35 LYS H H 1 8.030 0.000 . 1 . . . . 784 K HN . 16159 2 72 . 1 1 35 35 LYS N N 15 123.197 0.000 . 1 . . . . 784 K N . 16159 2 73 . 1 1 36 36 SER H H 1 8.200 0.000 . 1 . . . . 785 S HN . 16159 2 74 . 1 1 36 36 SER N N 15 117.105 0.000 . 1 . . . . 785 S N . 16159 2 75 . 1 1 37 37 ALA H H 1 8.344 0.000 . 1 . . . . 786 A HN . 16159 2 76 . 1 1 37 37 ALA N N 15 126.250 0.000 . 1 . . . . 786 A N . 16159 2 77 . 1 1 38 38 VAL H H 1 8.112 0.000 . 1 . . . . 787 V HN . 16159 2 78 . 1 1 38 38 VAL N N 15 119.191 0.000 . 1 . . . . 787 V N . 16159 2 79 . 1 1 39 39 THR H H 1 8.247 0.000 . 1 . . . . 788 T HN . 16159 2 80 . 1 1 39 39 THR N N 15 118.283 0.000 . 1 . . . . 788 T N . 16159 2 81 . 1 1 40 40 THR H H 1 8.161 0.000 . 1 . . . . 789 T HN . 16159 2 82 . 1 1 40 40 THR N N 15 117.749 0.000 . 1 . . . . 789 T N . 16159 2 83 . 1 1 41 41 VAL H H 1 8.196 0.000 . 1 . . . . 790 V HN . 16159 2 84 . 1 1 41 41 VAL N N 15 123.745 0.000 . 1 . . . . 790 V N . 16159 2 85 . 1 1 42 42 VAL H H 1 8.274 0.000 . 1 . . . . 791 V HN . 16159 2 86 . 1 1 42 42 VAL N N 15 125.083 0.000 . 1 . . . . 791 V N . 16159 2 87 . 1 1 43 43 ASN H H 1 8.561 0.000 . 1 . . . . 792 N HN . 16159 2 88 . 1 1 43 43 ASN HD21 H 1 7.652 0.000 . 2 . . . . 792 N HD21 . 16159 2 89 . 1 1 43 43 ASN HD22 H 1 6.939 0.000 . 2 . . . . 792 N HD22 . 16159 2 90 . 1 1 43 43 ASN N N 15 124.097 0.000 . 1 . . . . 792 N N . 16159 2 91 . 1 1 43 43 ASN ND2 N 15 113.042 0.002 . 1 . . . . 792 N ND2 . 16159 2 92 . 1 1 45 45 LYS H H 1 8.203 0.000 . 1 . . . . 794 K HN . 16159 2 93 . 1 1 45 45 LYS N N 15 120.530 0.000 . 1 . . . . 794 K N . 16159 2 94 . 1 1 46 46 TYR H H 1 8.137 0.000 . 1 . . . . 795 Y HN . 16159 2 95 . 1 1 46 46 TYR N N 15 121.553 0.000 . 1 . . . . 795 Y N . 16159 2 96 . 1 1 47 47 GLU H H 1 8.293 0.000 . 1 . . . . 796 E HN . 16159 2 97 . 1 1 47 47 GLU N N 15 123.731 0.000 . 1 . . . . 796 E N . 16159 2 98 . 1 1 48 48 GLY H H 1 7.796 0.000 . 1 . . . . 797 G HN . 16159 2 99 . 1 1 48 48 GLY N N 15 109.819 0.000 . 1 . . . . 797 G N . 16159 2 100 . 1 1 49 49 LYS H H 1 7.781 0.000 . 1 . . . . 798 K HN . 16159 2 101 . 1 1 49 49 LYS N N 15 125.610 0.000 . 1 . . . . 798 K N . 16159 2 stop_ save_