data_19576 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19576 _Entry.Title ; Backbone resonance assignment of FAPP1 PH domain in the presence of 10% (w/v) DMPC/DHPC (q=0.25), and in the presence of 10% (w/v) DMPC/DHPC (q=0.25) plus 8mM PI4P ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-23 _Entry.Accession_date 2013-10-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Prestegard . . . 19576 2 Yizhou Liu . . . 19576 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19576 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 449 19576 '15N chemical shifts' 191 19576 '1H chemical shifts' 191 19576 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 . . 2014-04-24 2013-10-23 update BMRB 'update entry citation' 19576 1 . . 2014-02-11 2013-10-23 original author 'original release' 19576 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19576 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24462251 _Citation.Full_citation . _Citation.Title 'Interaction of Fapp1 with Arf1 and PI4P at a membrane surface: an example of coincidence detection.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 22 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 421 _Citation.Page_last 430 _Citation.Year 2014 _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 Yizhou Liu . . . 19576 1 2 Richard Kahn . A. . 19576 1 3 James Prestegard . H. . 19576 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19576 _Assembly.ID 1 _Assembly.Name 'FAPP1 PH domain monomer' _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 'FAPP1 PH domain' 1 $FAPP1 A . yes native no no . . . 19576 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAPP1 _Entity.Sf_category entity _Entity.Sf_framecode FAPP1 _Entity.Entry_ID 19576 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FAPP1 _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 ; MEGVLYKWTNYLTGWQPRWF VLDNGILSYYDSQDDVCKGS KGSIKMAVCEIKVHSADNTR MELIIPGEQHFYMKAVNAAE RQRWLVALGSSKACLTDTLE HHHHHH ; _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 106 _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 16082 . FAPP1-PH . . . . . 92.45 108 98.98 98.98 1.14e-65 . . . . 19576 1 2 no BMRB 19508 . entity . . . . . 92.45 108 100.00 100.00 9.00e-67 . . . . 19576 1 3 no PDB 2KCJ . "Solution Structure Of Fapp1 Ph Domain" . . . . . 92.45 108 98.98 98.98 1.14e-65 . . . . 19576 1 4 no PDB 2MDX . "Solution Structure Of The Human Wild Type Fapp1-ph Domain" . . . . . 92.45 108 100.00 100.00 9.00e-67 . . . . 19576 1 5 no DBJ BAG37067 . "unnamed protein product [Homo sapiens]" . . . . . 92.45 300 100.00 100.00 6.61e-67 . . . . 19576 1 6 no GB AAG15199 . "Phosphoinositol 4-phosphate Adaptor Protein-1 [Homo sapiens]" . . . . . 92.45 300 100.00 100.00 6.26e-67 . . . . 19576 1 7 no GB AAG15200 . "Phosphoinositol 4-phosphate Adaptor Protein-1 [Mus musculus]" . . . . . 92.45 297 98.98 98.98 2.37e-66 . . . . 19576 1 8 no GB AAH31110 . "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Mus musculus]" . . . . . 92.45 297 98.98 98.98 2.37e-66 . . . . 19576 1 9 no GB AAH44567 . "Pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Homo sapiens]" . . . . . 92.45 300 100.00 100.00 6.61e-67 . . . . 19576 1 10 no GB AAH83759 . "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Rattus norvegicus]" . . . . . 92.45 299 100.00 100.00 7.97e-67 . . . . 19576 1 11 no REF NP_001013095 . "pleckstrin homology domain-containing family A member 3 [Rattus norvegicus]" . . . . . 92.45 299 100.00 100.00 7.97e-67 . . . . 19576 1 12 no REF NP_001095383 . "pleckstrin homology domain-containing family A member 3 [Bos taurus]" . . . . . 92.45 300 100.00 100.00 8.02e-67 . . . . 19576 1 13 no REF NP_001230393 . "pleckstrin homology domain-containing family A member 3 [Sus scrofa]" . . . . . 92.45 300 100.00 100.00 7.05e-67 . . . . 19576 1 14 no REF NP_061964 . "pleckstrin homology domain-containing family A member 3 [Homo sapiens]" . . . . . 92.45 300 100.00 100.00 6.61e-67 . . . . 19576 1 15 no REF NP_112546 . "pleckstrin homology domain-containing family A member 3 [Mus musculus]" . . . . . 92.45 297 98.98 98.98 2.37e-66 . . . . 19576 1 16 no SP Q9ERS4 . "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" . . . . . 92.45 297 98.98 98.98 2.37e-66 . . . . 19576 1 17 no SP Q9HB20 . "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" . . . . . 92.45 300 100.00 100.00 6.61e-67 . . . . 19576 1 18 no TPG DAA32821 . "TPA: pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Bos taurus]" . . . . . 92.45 300 100.00 100.00 7.12e-67 . . . . 19576 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 . MET . 19576 1 2 . GLU . 19576 1 3 . GLY . 19576 1 4 . VAL . 19576 1 5 . LEU . 19576 1 6 . TYR . 19576 1 7 . LYS . 19576 1 8 . TRP . 19576 1 9 . THR . 19576 1 10 . ASN . 19576 1 11 . TYR . 19576 1 12 . LEU . 19576 1 13 . THR . 19576 1 14 . GLY . 19576 1 15 . TRP . 19576 1 16 . GLN . 19576 1 17 . PRO . 19576 1 18 . ARG . 19576 1 19 . TRP . 19576 1 20 . PHE . 19576 1 21 . VAL . 19576 1 22 . LEU . 19576 1 23 . ASP . 19576 1 24 . ASN . 19576 1 25 . GLY . 19576 1 26 . ILE . 19576 1 27 . LEU . 19576 1 28 . SER . 19576 1 29 . TYR . 19576 1 30 . TYR . 19576 1 31 . ASP . 19576 1 32 . SER . 19576 1 33 . GLN . 19576 1 34 . ASP . 19576 1 35 . ASP . 19576 1 36 . VAL . 19576 1 37 . CYS . 19576 1 38 . LYS . 19576 1 39 . GLY . 19576 1 40 . SER . 19576 1 41 . LYS . 19576 1 42 . GLY . 19576 1 43 . SER . 19576 1 44 . ILE . 19576 1 45 . LYS . 19576 1 46 . MET . 19576 1 47 . ALA . 19576 1 48 . VAL . 19576 1 49 . CYS . 19576 1 50 . GLU . 19576 1 51 . ILE . 19576 1 52 . LYS . 19576 1 53 . VAL . 19576 1 54 . HIS . 19576 1 55 . SER . 19576 1 56 . ALA . 19576 1 57 . ASP . 19576 1 58 . ASN . 19576 1 59 . THR . 19576 1 60 . ARG . 19576 1 61 . MET . 19576 1 62 . GLU . 19576 1 63 . LEU . 19576 1 64 . ILE . 19576 1 65 . ILE . 19576 1 66 . PRO . 19576 1 67 . GLY . 19576 1 68 . GLU . 19576 1 69 . GLN . 19576 1 70 . HIS . 19576 1 71 . PHE . 19576 1 72 . TYR . 19576 1 73 . MET . 19576 1 74 . LYS . 19576 1 75 . ALA . 19576 1 76 . VAL . 19576 1 77 . ASN . 19576 1 78 . ALA . 19576 1 79 . ALA . 19576 1 80 . GLU . 19576 1 81 . ARG . 19576 1 82 . GLN . 19576 1 83 . ARG . 19576 1 84 . TRP . 19576 1 85 . LEU . 19576 1 86 . VAL . 19576 1 87 . ALA . 19576 1 88 . LEU . 19576 1 89 . GLY . 19576 1 90 . SER . 19576 1 91 . SER . 19576 1 92 . LYS . 19576 1 93 . ALA . 19576 1 94 . CYS . 19576 1 95 . LEU . 19576 1 96 . THR . 19576 1 97 . ASP . 19576 1 98 . THR . 19576 1 99 . LEU . 19576 1 100 . GLU . 19576 1 101 . HIS . 19576 1 102 . HIS . 19576 1 103 . HIS . 19576 1 104 . HIS . 19576 1 105 . HIS . 19576 1 106 . HIS . 19576 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19576 1 . GLU 2 2 19576 1 . GLY 3 3 19576 1 . VAL 4 4 19576 1 . LEU 5 5 19576 1 . TYR 6 6 19576 1 . LYS 7 7 19576 1 . TRP 8 8 19576 1 . THR 9 9 19576 1 . ASN 10 10 19576 1 . TYR 11 11 19576 1 . LEU 12 12 19576 1 . THR 13 13 19576 1 . GLY 14 14 19576 1 . TRP 15 15 19576 1 . GLN 16 16 19576 1 . PRO 17 17 19576 1 . ARG 18 18 19576 1 . TRP 19 19 19576 1 . PHE 20 20 19576 1 . VAL 21 21 19576 1 . LEU 22 22 19576 1 . ASP 23 23 19576 1 . ASN 24 24 19576 1 . GLY 25 25 19576 1 . ILE 26 26 19576 1 . LEU 27 27 19576 1 . SER 28 28 19576 1 . TYR 29 29 19576 1 . TYR 30 30 19576 1 . ASP 31 31 19576 1 . SER 32 32 19576 1 . GLN 33 33 19576 1 . ASP 34 34 19576 1 . ASP 35 35 19576 1 . VAL 36 36 19576 1 . CYS 37 37 19576 1 . LYS 38 38 19576 1 . GLY 39 39 19576 1 . SER 40 40 19576 1 . LYS 41 41 19576 1 . GLY 42 42 19576 1 . SER 43 43 19576 1 . ILE 44 44 19576 1 . LYS 45 45 19576 1 . MET 46 46 19576 1 . ALA 47 47 19576 1 . VAL 48 48 19576 1 . CYS 49 49 19576 1 . GLU 50 50 19576 1 . ILE 51 51 19576 1 . LYS 52 52 19576 1 . VAL 53 53 19576 1 . HIS 54 54 19576 1 . SER 55 55 19576 1 . ALA 56 56 19576 1 . ASP 57 57 19576 1 . ASN 58 58 19576 1 . THR 59 59 19576 1 . ARG 60 60 19576 1 . MET 61 61 19576 1 . GLU 62 62 19576 1 . LEU 63 63 19576 1 . ILE 64 64 19576 1 . ILE 65 65 19576 1 . PRO 66 66 19576 1 . GLY 67 67 19576 1 . GLU 68 68 19576 1 . GLN 69 69 19576 1 . HIS 70 70 19576 1 . PHE 71 71 19576 1 . TYR 72 72 19576 1 . MET 73 73 19576 1 . LYS 74 74 19576 1 . ALA 75 75 19576 1 . VAL 76 76 19576 1 . ASN 77 77 19576 1 . ALA 78 78 19576 1 . ALA 79 79 19576 1 . GLU 80 80 19576 1 . ARG 81 81 19576 1 . GLN 82 82 19576 1 . ARG 83 83 19576 1 . TRP 84 84 19576 1 . LEU 85 85 19576 1 . VAL 86 86 19576 1 . ALA 87 87 19576 1 . LEU 88 88 19576 1 . GLY 89 89 19576 1 . SER 90 90 19576 1 . SER 91 91 19576 1 . LYS 92 92 19576 1 . ALA 93 93 19576 1 . CYS 94 94 19576 1 . LEU 95 95 19576 1 . THR 96 96 19576 1 . ASP 97 97 19576 1 . THR 98 98 19576 1 . LEU 99 99 19576 1 . GLU 100 100 19576 1 . HIS 101 101 19576 1 . HIS 102 102 19576 1 . HIS 103 103 19576 1 . HIS 104 104 19576 1 . HIS 105 105 19576 1 . HIS 106 106 19576 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 19576 _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 $FAPP1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19576 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 19576 _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 $FAPP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET20(b) . . . . . . 19576 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19576 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'w/ 10% (w/v) DMPC/DHPC (q=0.25)' _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 FAPP1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $FAPP1 . . 0.8 . . mM . . . . 19576 1 2 DMPC/DHPC 'natural abundance' . . . . . . 10 . . '% (w/v)' . . . . 19576 1 3 K2HPO4-KH2PO4 'natural abundance' . . . . . . 10 . . mM . . . . 19576 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19576 1 5 K2SO4 'natural abundance' . . . . . . 10 . . mM . . . . 19576 1 6 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 19576 1 7 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19576 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19576 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'w/ 10% (w/v) DMPC/DHPC (q=0.25) and 8mM Pi4P' _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 FAPP1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $FAPP1 . . 0.8 . . mM . . . . 19576 2 2 DMPC/DHPC 'natural abundance' . . . . . . 10 . . '% (w/v)' . . . . 19576 2 3 Pi4P 'natural abundance' . . . . . . 8 . . mM . . . . 19576 2 4 K2HPO4-KH2PO4 'natural abundance' . . . . . . 10 . . mM . . . . 19576 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19576 2 6 K2SO4 'natural abundance' . . . . . . 10 . . mM . . . . 19576 2 7 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 19576 2 8 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19576 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 19576 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 19576 1 pH 7.0 . pH 19576 1 pressure 1 . atm 19576 1 temperature 298 . K 19576 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19576 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19576 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19576 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19576 _Software.ID 2 _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' . . 19576 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19576 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19576 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19576 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19576 3 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 19576 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19576 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 900 . . . 19576 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 19576 _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 . . . . . . . . . . . . . . . . 19576 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19576 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19576 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19576 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19576 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 19576 _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 water protons . . . . ppm 4.74 internal indirect 0.251449530 . . . . . . . . . 19576 1 H 1 water protons . . . . ppm 4.74 internal direct 1 . . . . . . . . . 19576 1 N 15 water protons . . . . ppm 4.74 internal indirect 0.101329118 . . . . . . . . . 19576 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_FAPP1_with_DMPC-DHPC _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode FAPP1_with_DMPC-DHPC _Assigned_chem_shift_list.Entry_ID 19576 _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' . . . 19576 1 2 '3D HNCACB' . . . 19576 1 3 '3D HNCO' . . . 19576 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 GLU C C 13 174.638 0.000 . 1 . . . . 2 E C . 19576 1 2 . 1 1 2 2 GLU CA C 13 53.544 0.000 . 1 . . . . 2 E CA . 19576 1 3 . 1 1 2 2 GLU CB C 13 32.185 0.000 . 1 . . . . 2 E CB . 19576 1 4 . 1 1 3 3 GLY H H 1 7.941 0.005 . 1 . . . . 3 G HN . 19576 1 5 . 1 1 3 3 GLY C C 13 170.916 0.000 . 1 . . . . 3 G C . 19576 1 6 . 1 1 3 3 GLY CA C 13 44.747 0.006 . 1 . . . . 3 G CA . 19576 1 7 . 1 1 3 3 GLY N N 15 108.124 0.053 . 1 . . . . 3 G N . 19576 1 8 . 1 1 4 4 VAL H H 1 8.419 0.000 . 1 . . . . 4 V HN . 19576 1 9 . 1 1 4 4 VAL C C 13 177.740 0.000 . 1 . . . . 4 V C . 19576 1 10 . 1 1 4 4 VAL CA C 13 61.769 0.001 . 1 . . . . 4 V CA . 19576 1 11 . 1 1 4 4 VAL CB C 13 32.333 0.002 . 1 . . . . 4 V CB . 19576 1 12 . 1 1 4 4 VAL N N 15 119.852 0.017 . 1 . . . . 4 V N . 19576 1 13 . 1 1 5 5 LEU H H 1 8.605 0.001 . 1 . . . . 5 L HN . 19576 1 14 . 1 1 5 5 LEU C C 13 175.546 0.000 . 1 . . . . 5 L C . 19576 1 15 . 1 1 5 5 LEU CA C 13 53.795 0.011 . 1 . . . . 5 L CA . 19576 1 16 . 1 1 5 5 LEU CB C 13 45.302 0.006 . 1 . . . . 5 L CB . 19576 1 17 . 1 1 5 5 LEU N N 15 125.715 0.034 . 1 . . . . 5 L N . 19576 1 18 . 1 1 6 6 TYR H H 1 8.949 0.001 . 1 . . . . 6 Y HN . 19576 1 19 . 1 1 6 6 TYR C C 13 175.014 0.000 . 1 . . . . 6 Y C . 19576 1 20 . 1 1 6 6 TYR CA C 13 57.312 0.002 . 1 . . . . 6 Y CA . 19576 1 21 . 1 1 6 6 TYR CB C 13 38.365 0.003 . 1 . . . . 6 Y CB . 19576 1 22 . 1 1 6 6 TYR N N 15 119.312 0.022 . 1 . . . . 6 Y N . 19576 1 23 . 1 1 7 7 LYS H H 1 9.493 0.003 . 1 . . . . 7 K HN . 19576 1 24 . 1 1 7 7 LYS C C 13 175.883 0.000 . 1 . . . . 7 K C . 19576 1 25 . 1 1 7 7 LYS CA C 13 53.483 0.049 . 1 . . . . 7 K CA . 19576 1 26 . 1 1 7 7 LYS CB C 13 35.668 0.011 . 1 . . . . 7 K CB . 19576 1 27 . 1 1 7 7 LYS N N 15 123.852 0.029 . 1 . . . . 7 K N . 19576 1 28 . 1 1 8 8 TRP H H 1 8.164 0.005 . 1 . . . . 8 W HN . 19576 1 29 . 1 1 8 8 TRP HE1 H 1 10.018 0.000 . 1 . . . . 8 W HE1 . 19576 1 30 . 1 1 8 8 TRP C C 13 175.821 0.000 . 1 . . . . 8 W C . 19576 1 31 . 1 1 8 8 TRP CA C 13 57.793 0.000 . 1 . . . . 8 W CA . 19576 1 32 . 1 1 8 8 TRP CB C 13 28.336 0.000 . 1 . . . . 8 W CB . 19576 1 33 . 1 1 8 8 TRP N N 15 127.394 0.034 . 1 . . . . 8 W N . 19576 1 34 . 1 1 8 8 TRP NE1 N 15 130.688 0.000 . 1 . . . . 8 W NE1 . 19576 1 35 . 1 1 9 9 THR H H 1 6.402 0.012 . 1 . . . . 9 T HN . 19576 1 36 . 1 1 9 9 THR C C 13 171.787 0.000 . 1 . . . . 9 T C . 19576 1 37 . 1 1 9 9 THR CA C 13 60.314 0.000 . 1 . . . . 9 T CA . 19576 1 38 . 1 1 9 9 THR CB C 13 68.863 0.000 . 1 . . . . 9 T CB . 19576 1 39 . 1 1 9 9 THR N N 15 121.163 0.012 . 1 . . . . 9 T N . 19576 1 40 . 1 1 10 10 ASN H H 1 7.386 0.004 . 1 . . . . 10 N HN . 19576 1 41 . 1 1 10 10 ASN C C 13 174.053 0.000 . 1 . . . . 10 N C . 19576 1 42 . 1 1 10 10 ASN CA C 13 51.522 0.006 . 1 . . . . 10 N CA . 19576 1 43 . 1 1 10 10 ASN CB C 13 38.764 0.080 . 1 . . . . 10 N CB . 19576 1 44 . 1 1 10 10 ASN N N 15 115.524 0.048 . 1 . . . . 10 N N . 19576 1 45 . 1 1 11 11 TYR H H 1 8.516 0.008 . 1 . . . . 11 Y HN . 19576 1 46 . 1 1 11 11 TYR C C 13 174.820 0.000 . 1 . . . . 11 Y C . 19576 1 47 . 1 1 11 11 TYR CA C 13 62.102 0.007 . 1 . . . . 11 Y CA . 19576 1 48 . 1 1 11 11 TYR CB C 13 37.883 0.006 . 1 . . . . 11 Y CB . 19576 1 49 . 1 1 11 11 TYR N N 15 114.770 0.022 . 1 . . . . 11 Y N . 19576 1 50 . 1 1 12 12 LEU H H 1 8.198 0.004 . 1 . . . . 12 L HN . 19576 1 51 . 1 1 12 12 LEU C C 13 177.733 0.000 . 1 . . . . 12 L C . 19576 1 52 . 1 1 12 12 LEU CA C 13 56.367 0.000 . 1 . . . . 12 L CA . 19576 1 53 . 1 1 12 12 LEU CB C 13 41.240 0.000 . 1 . . . . 12 L CB . 19576 1 54 . 1 1 12 12 LEU N N 15 116.491 0.027 . 1 . . . . 12 L N . 19576 1 55 . 1 1 13 13 THR H H 1 7.578 0.003 . 1 . . . . 13 T HN . 19576 1 56 . 1 1 13 13 THR C C 13 176.036 0.000 . 1 . . . . 13 T C . 19576 1 57 . 1 1 13 13 THR CA C 13 61.490 0.000 . 1 . . . . 13 T CA . 19576 1 58 . 1 1 13 13 THR CB C 13 68.629 0.121 . 1 . . . . 13 T CB . 19576 1 59 . 1 1 13 13 THR N N 15 105.728 0.046 . 1 . . . . 13 T N . 19576 1 60 . 1 1 14 14 GLY H H 1 7.730 0.012 . 1 . . . . 14 G HN . 19576 1 61 . 1 1 14 14 GLY C C 13 175.454 0.000 . 1 . . . . 14 G C . 19576 1 62 . 1 1 14 14 GLY CA C 13 45.727 0.005 . 1 . . . . 14 G CA . 19576 1 63 . 1 1 14 14 GLY N N 15 110.315 0.030 . 1 . . . . 14 G N . 19576 1 64 . 1 1 15 15 TRP H H 1 9.002 0.001 . 1 . . . . 15 W HN . 19576 1 65 . 1 1 15 15 TRP HE1 H 1 10.718 0.000 . 1 . . . . 15 W HE1 . 19576 1 66 . 1 1 15 15 TRP C C 13 176.159 0.000 . 1 . . . . 15 W C . 19576 1 67 . 1 1 15 15 TRP CA C 13 56.439 0.012 . 1 . . . . 15 W CA . 19576 1 68 . 1 1 15 15 TRP CB C 13 28.803 0.050 . 1 . . . . 15 W CB . 19576 1 69 . 1 1 15 15 TRP N N 15 129.152 0.027 . 1 . . . . 15 W N . 19576 1 70 . 1 1 15 15 TRP NE1 N 15 132.405 0.000 . 1 . . . . 15 W NE1 . 19576 1 71 . 1 1 16 16 GLN H H 1 8.827 0.006 . 1 . . . . 16 Q HN . 19576 1 72 . 1 1 16 16 GLN CA C 13 51.884 0.000 . 1 . . . . 16 Q CA . 19576 1 73 . 1 1 16 16 GLN CB C 13 30.667 0.000 . 1 . . . . 16 Q CB . 19576 1 74 . 1 1 16 16 GLN N N 15 122.401 0.021 . 1 . . . . 16 Q N . 19576 1 75 . 1 1 17 17 PRO C C 13 176.934 0.000 . 1 . . . . 17 P C . 19576 1 76 . 1 1 17 17 PRO CA C 13 62.497 0.000 . 1 . . . . 17 P CA . 19576 1 77 . 1 1 17 17 PRO CB C 13 30.587 0.000 . 1 . . . . 17 P CB . 19576 1 78 . 1 1 18 18 ARG H H 1 8.977 0.003 . 1 . . . . 18 R HN . 19576 1 79 . 1 1 18 18 ARG C C 13 172.959 0.000 . 1 . . . . 18 R C . 19576 1 80 . 1 1 18 18 ARG CA C 13 52.768 0.015 . 1 . . . . 18 R CA . 19576 1 81 . 1 1 18 18 ARG CB C 13 33.189 0.014 . 1 . . . . 18 R CB . 19576 1 82 . 1 1 18 18 ARG N N 15 123.726 0.030 . 1 . . . . 18 R N . 19576 1 83 . 1 1 19 19 TRP H H 1 8.329 0.002 . 1 . . . . 19 W HN . 19576 1 84 . 1 1 19 19 TRP HE1 H 1 10.122 0.000 . 1 . . . . 19 W HE1 . 19576 1 85 . 1 1 19 19 TRP C C 13 174.624 0.000 . 1 . . . . 19 W C . 19576 1 86 . 1 1 19 19 TRP CA C 13 55.729 0.000 . 1 . . . . 19 W CA . 19576 1 87 . 1 1 19 19 TRP CB C 13 30.770 0.070 . 1 . . . . 19 W CB . 19576 1 88 . 1 1 19 19 TRP N N 15 121.698 0.031 . 1 . . . . 19 W N . 19576 1 89 . 1 1 19 19 TRP NE1 N 15 129.121 0.000 . 1 . . . . 19 W NE1 . 19576 1 90 . 1 1 20 20 PHE H H 1 8.873 0.004 . 1 . . . . 20 F HN . 19576 1 91 . 1 1 20 20 PHE C C 13 174.734 0.000 . 1 . . . . 20 F C . 19576 1 92 . 1 1 20 20 PHE CA C 13 56.285 0.037 . 1 . . . . 20 F CA . 19576 1 93 . 1 1 20 20 PHE CB C 13 42.398 0.001 . 1 . . . . 20 F CB . 19576 1 94 . 1 1 20 20 PHE N N 15 127.854 0.038 . 1 . . . . 20 F N . 19576 1 95 . 1 1 21 21 VAL H H 1 8.949 0.004 . 1 . . . . 21 V HN . 19576 1 96 . 1 1 21 21 VAL C C 13 174.717 0.000 . 1 . . . . 21 V C . 19576 1 97 . 1 1 21 21 VAL CA C 13 61.345 0.010 . 1 . . . . 21 V CA . 19576 1 98 . 1 1 21 21 VAL CB C 13 35.513 0.008 . 1 . . . . 21 V CB . 19576 1 99 . 1 1 21 21 VAL N N 15 117.576 0.021 . 1 . . . . 21 V N . 19576 1 100 . 1 1 22 22 LEU H H 1 9.152 0.004 . 1 . . . . 22 L HN . 19576 1 101 . 1 1 22 22 LEU CA C 13 52.859 0.000 . 1 . . . . 22 L CA . 19576 1 102 . 1 1 22 22 LEU CB C 13 44.442 0.000 . 1 . . . . 22 L CB . 19576 1 103 . 1 1 22 22 LEU N N 15 130.078 0.012 . 1 . . . . 22 L N . 19576 1 104 . 1 1 23 23 ASP C C 13 175.885 0.000 . 1 . . . . 23 D C . 19576 1 105 . 1 1 24 24 ASN H H 1 9.115 0.000 . 1 . . . . 24 N HN . 19576 1 106 . 1 1 24 24 ASN C C 13 174.804 0.000 . 1 . . . . 24 N C . 19576 1 107 . 1 1 24 24 ASN CA C 13 53.902 0.000 . 1 . . . . 24 N CA . 19576 1 108 . 1 1 24 24 ASN CB C 13 37.176 0.000 . 1 . . . . 24 N CB . 19576 1 109 . 1 1 24 24 ASN N N 15 125.377 0.000 . 1 . . . . 24 N N . 19576 1 110 . 1 1 25 25 GLY H H 1 8.677 0.002 . 1 . . . . 25 G HN . 19576 1 111 . 1 1 25 25 GLY C C 13 173.247 0.000 . 1 . . . . 25 G C . 19576 1 112 . 1 1 25 25 GLY CA C 13 45.383 0.005 . 1 . . . . 25 G CA . 19576 1 113 . 1 1 25 25 GLY N N 15 102.489 0.046 . 1 . . . . 25 G N . 19576 1 114 . 1 1 26 26 ILE H H 1 7.919 0.004 . 1 . . . . 26 I HN . 19576 1 115 . 1 1 26 26 ILE C C 13 174.811 0.000 . 1 . . . . 26 I C . 19576 1 116 . 1 1 26 26 ILE CA C 13 59.143 0.289 . 1 . . . . 26 I CA . 19576 1 117 . 1 1 26 26 ILE CB C 13 38.530 0.003 . 1 . . . . 26 I CB . 19576 1 118 . 1 1 26 26 ILE N N 15 122.640 0.017 . 1 . . . . 26 I N . 19576 1 119 . 1 1 27 27 LEU H H 1 9.070 0.006 . 1 . . . . 27 L HN . 19576 1 120 . 1 1 27 27 LEU C C 13 174.888 0.000 . 1 . . . . 27 L C . 19576 1 121 . 1 1 27 27 LEU CA C 13 52.882 0.002 . 1 . . . . 27 L CA . 19576 1 122 . 1 1 27 27 LEU CB C 13 43.537 0.010 . 1 . . . . 27 L CB . 19576 1 123 . 1 1 27 27 LEU N N 15 132.224 0.020 . 1 . . . . 27 L N . 19576 1 124 . 1 1 28 28 SER H H 1 9.427 0.004 . 1 . . . . 28 S HN . 19576 1 125 . 1 1 28 28 SER C C 13 171.994 0.000 . 1 . . . . 28 S C . 19576 1 126 . 1 1 28 28 SER CA C 13 56.957 0.014 . 1 . . . . 28 S CA . 19576 1 127 . 1 1 28 28 SER CB C 13 65.708 0.000 . 1 . . . . 28 S CB . 19576 1 128 . 1 1 28 28 SER N N 15 123.142 0.028 . 1 . . . . 28 S N . 19576 1 129 . 1 1 29 29 TYR H H 1 7.539 0.006 . 1 . . . . 29 Y HN . 19576 1 130 . 1 1 29 29 TYR C C 13 172.360 0.000 . 1 . . . . 29 Y C . 19576 1 131 . 1 1 29 29 TYR CA C 13 54.529 0.014 . 1 . . . . 29 Y CA . 19576 1 132 . 1 1 29 29 TYR CB C 13 39.470 0.008 . 1 . . . . 29 Y CB . 19576 1 133 . 1 1 29 29 TYR N N 15 116.555 0.037 . 1 . . . . 29 Y N . 19576 1 134 . 1 1 30 30 TYR H H 1 8.966 0.004 . 1 . . . . 30 Y HN . 19576 1 135 . 1 1 30 30 TYR C C 13 175.664 0.000 . 1 . . . . 30 Y C . 19576 1 136 . 1 1 30 30 TYR CA C 13 55.671 0.002 . 1 . . . . 30 Y CA . 19576 1 137 . 1 1 30 30 TYR CB C 13 42.556 0.000 . 1 . . . . 30 Y CB . 19576 1 138 . 1 1 30 30 TYR N N 15 117.843 0.039 . 1 . . . . 30 Y N . 19576 1 139 . 1 1 31 31 ASP H H 1 9.417 0.004 . 1 . . . . 31 D HN . 19576 1 140 . 1 1 31 31 ASP C C 13 176.272 0.000 . 1 . . . . 31 D C . 19576 1 141 . 1 1 31 31 ASP CA C 13 57.930 0.000 . 1 . . . . 31 D CA . 19576 1 142 . 1 1 31 31 ASP CB C 13 39.883 0.007 . 1 . . . . 31 D CB . 19576 1 143 . 1 1 31 31 ASP N N 15 122.080 0.037 . 1 . . . . 31 D N . 19576 1 144 . 1 1 32 32 SER H H 1 7.393 0.006 . 1 . . . . 32 S HN . 19576 1 145 . 1 1 32 32 SER C C 13 173.707 0.000 . 1 . . . . 32 S C . 19576 1 146 . 1 1 32 32 SER CA C 13 56.871 0.008 . 1 . . . . 32 S CA . 19576 1 147 . 1 1 32 32 SER CB C 13 65.223 0.070 . 1 . . . . 32 S CB . 19576 1 148 . 1 1 32 32 SER N N 15 107.442 0.044 . 1 . . . . 32 S N . 19576 1 149 . 1 1 33 33 GLN H H 1 8.677 0.002 . 1 . . . . 33 Q HN . 19576 1 150 . 1 1 33 33 GLN C C 13 176.976 0.000 . 1 . . . . 33 Q C . 19576 1 151 . 1 1 33 33 GLN CA C 13 57.701 0.003 . 1 . . . . 33 Q CA . 19576 1 152 . 1 1 33 33 GLN CB C 13 26.244 0.010 . 1 . . . . 33 Q CB . 19576 1 153 . 1 1 33 33 GLN N N 15 123.031 0.031 . 1 . . . . 33 Q N . 19576 1 154 . 1 1 34 34 ASP H H 1 7.640 0.007 . 1 . . . . 34 D HN . 19576 1 155 . 1 1 34 34 ASP C C 13 176.549 0.000 . 1 . . . . 34 D C . 19576 1 156 . 1 1 34 34 ASP CA C 13 55.338 0.004 . 1 . . . . 34 D CA . 19576 1 157 . 1 1 34 34 ASP CB C 13 39.888 0.032 . 1 . . . . 34 D CB . 19576 1 158 . 1 1 34 34 ASP N N 15 116.731 0.015 . 1 . . . . 34 D N . 19576 1 159 . 1 1 35 35 ASP H H 1 7.278 0.004 . 1 . . . . 35 D HN . 19576 1 160 . 1 1 35 35 ASP C C 13 177.084 0.000 . 1 . . . . 35 D C . 19576 1 161 . 1 1 35 35 ASP CA C 13 54.291 0.022 . 1 . . . . 35 D CA . 19576 1 162 . 1 1 35 35 ASP CB C 13 41.959 0.011 . 1 . . . . 35 D CB . 19576 1 163 . 1 1 35 35 ASP N N 15 117.220 0.034 . 1 . . . . 35 D N . 19576 1 164 . 1 1 36 36 VAL H H 1 6.919 0.006 . 1 . . . . 36 V HN . 19576 1 165 . 1 1 36 36 VAL C C 13 178.130 0.000 . 1 . . . . 36 V C . 19576 1 166 . 1 1 36 36 VAL CA C 13 64.762 0.020 . 1 . . . . 36 V CA . 19576 1 167 . 1 1 36 36 VAL CB C 13 30.200 0.000 . 1 . . . . 36 V CB . 19576 1 168 . 1 1 36 36 VAL N N 15 121.363 0.027 . 1 . . . . 36 V N . 19576 1 169 . 1 1 37 37 CYS H H 1 8.023 0.003 . 1 . . . . 37 C HN . 19576 1 170 . 1 1 37 37 CYS C C 13 175.048 0.000 . 1 . . . . 37 C C . 19576 1 171 . 1 1 37 37 CYS CA C 13 58.808 0.010 . 1 . . . . 37 C CA . 19576 1 172 . 1 1 37 37 CYS CB C 13 26.786 0.028 . 1 . . . . 37 C CB . 19576 1 173 . 1 1 37 37 CYS N N 15 115.313 0.026 . 1 . . . . 37 C N . 19576 1 174 . 1 1 38 38 LYS H H 1 7.740 0.009 . 1 . . . . 38 K HN . 19576 1 175 . 1 1 38 38 LYS C C 13 177.005 0.000 . 1 . . . . 38 K C . 19576 1 176 . 1 1 38 38 LYS CA C 13 56.433 0.007 . 1 . . . . 38 K CA . 19576 1 177 . 1 1 38 38 LYS CB C 13 32.169 0.029 . 1 . . . . 38 K CB . 19576 1 178 . 1 1 38 38 LYS N N 15 121.689 0.029 . 1 . . . . 38 K N . 19576 1 179 . 1 1 39 39 GLY H H 1 7.617 0.001 . 1 . . . . 39 G HN . 19576 1 180 . 1 1 39 39 GLY C C 13 172.920 0.000 . 1 . . . . 39 G C . 19576 1 181 . 1 1 39 39 GLY CA C 13 43.745 0.007 . 1 . . . . 39 G CA . 19576 1 182 . 1 1 39 39 GLY N N 15 107.238 0.045 . 1 . . . . 39 G N . 19576 1 183 . 1 1 40 40 SER H H 1 8.344 0.001 . 1 . . . . 40 S HN . 19576 1 184 . 1 1 40 40 SER C C 13 175.128 0.000 . 1 . . . . 40 S C . 19576 1 185 . 1 1 40 40 SER CA C 13 57.575 0.007 . 1 . . . . 40 S CA . 19576 1 186 . 1 1 40 40 SER CB C 13 63.478 0.062 . 1 . . . . 40 S CB . 19576 1 187 . 1 1 40 40 SER N N 15 116.162 0.029 . 1 . . . . 40 S N . 19576 1 188 . 1 1 41 41 LYS H H 1 8.222 0.003 . 1 . . . . 41 K HN . 19576 1 189 . 1 1 41 41 LYS C C 13 176.623 0.000 . 1 . . . . 41 K C . 19576 1 190 . 1 1 41 41 LYS CA C 13 55.536 0.000 . 1 . . . . 41 K CA . 19576 1 191 . 1 1 41 41 LYS CB C 13 31.229 0.000 . 1 . . . . 41 K CB . 19576 1 192 . 1 1 41 41 LYS N N 15 121.440 0.035 . 1 . . . . 41 K N . 19576 1 193 . 1 1 42 42 GLY H H 1 6.597 0.012 . 1 . . . . 42 G HN . 19576 1 194 . 1 1 42 42 GLY C C 13 171.009 0.000 . 1 . . . . 42 G C . 19576 1 195 . 1 1 42 42 GLY CA C 13 44.625 0.022 . 1 . . . . 42 G CA . 19576 1 196 . 1 1 42 42 GLY N N 15 105.218 0.029 . 1 . . . . 42 G N . 19576 1 197 . 1 1 43 43 SER H H 1 8.082 0.002 . 1 . . . . 43 S HN . 19576 1 198 . 1 1 43 43 SER C C 13 172.543 0.000 . 1 . . . . 43 S C . 19576 1 199 . 1 1 43 43 SER CA C 13 57.180 0.006 . 1 . . . . 43 S CA . 19576 1 200 . 1 1 43 43 SER CB C 13 65.615 0.067 . 1 . . . . 43 S CB . 19576 1 201 . 1 1 43 43 SER N N 15 113.685 0.042 . 1 . . . . 43 S N . 19576 1 202 . 1 1 44 44 ILE H H 1 9.126 0.004 . 1 . . . . 44 I HN . 19576 1 203 . 1 1 44 44 ILE C C 13 173.736 0.000 . 1 . . . . 44 I C . 19576 1 204 . 1 1 44 44 ILE CA C 13 59.542 0.000 . 1 . . . . 44 I CA . 19576 1 205 . 1 1 44 44 ILE CB C 13 41.527 0.007 . 1 . . . . 44 I CB . 19576 1 206 . 1 1 44 44 ILE N N 15 122.442 0.009 . 1 . . . . 44 I N . 19576 1 207 . 1 1 45 45 LYS H H 1 8.252 0.001 . 1 . . . . 45 K HN . 19576 1 208 . 1 1 45 45 LYS C C 13 176.312 0.000 . 1 . . . . 45 K C . 19576 1 209 . 1 1 45 45 LYS CA C 13 55.738 0.000 . 1 . . . . 45 K CA . 19576 1 210 . 1 1 45 45 LYS CB C 13 31.398 0.002 . 1 . . . . 45 K CB . 19576 1 211 . 1 1 45 45 LYS N N 15 127.060 0.019 . 1 . . . . 45 K N . 19576 1 212 . 1 1 46 46 MET H H 1 8.135 0.002 . 1 . . . . 46 M HN . 19576 1 213 . 1 1 46 46 MET C C 13 178.911 0.000 . 1 . . . . 46 M C . 19576 1 214 . 1 1 46 46 MET CA C 13 55.279 0.000 . 1 . . . . 46 M CA . 19576 1 215 . 1 1 46 46 MET CB C 13 28.450 0.057 . 1 . . . . 46 M CB . 19576 1 216 . 1 1 46 46 MET N N 15 123.750 0.024 . 1 . . . . 46 M N . 19576 1 217 . 1 1 47 47 ALA H H 1 8.693 0.004 . 1 . . . . 47 A HN . 19576 1 218 . 1 1 47 47 ALA C C 13 178.741 0.000 . 1 . . . . 47 A C . 19576 1 219 . 1 1 47 47 ALA CA C 13 54.529 0.046 . 1 . . . . 47 A CA . 19576 1 220 . 1 1 47 47 ALA CB C 13 18.470 0.000 . 1 . . . . 47 A CB . 19576 1 221 . 1 1 47 47 ALA N N 15 119.290 0.021 . 1 . . . . 47 A N . 19576 1 222 . 1 1 48 48 VAL H H 1 7.059 0.008 . 1 . . . . 48 V HN . 19576 1 223 . 1 1 48 48 VAL C C 13 175.024 0.000 . 1 . . . . 48 V C . 19576 1 224 . 1 1 48 48 VAL CA C 13 59.759 0.018 . 1 . . . . 48 V CA . 19576 1 225 . 1 1 48 48 VAL CB C 13 30.919 0.000 . 1 . . . . 48 V CB . 19576 1 226 . 1 1 48 48 VAL N N 15 106.440 0.029 . 1 . . . . 48 V N . 19576 1 227 . 1 1 49 49 CYS H H 1 7.354 0.004 . 1 . . . . 49 C HN . 19576 1 228 . 1 1 49 49 CYS C C 13 173.791 0.000 . 1 . . . . 49 C C . 19576 1 229 . 1 1 49 49 CYS CA C 13 57.748 0.027 . 1 . . . . 49 C CA . 19576 1 230 . 1 1 49 49 CYS CB C 13 29.704 0.000 . 1 . . . . 49 C CB . 19576 1 231 . 1 1 49 49 CYS N N 15 119.743 0.030 . 1 . . . . 49 C N . 19576 1 232 . 1 1 50 50 GLU H H 1 8.832 0.008 . 1 . . . . 50 E HN . 19576 1 233 . 1 1 50 50 GLU C C 13 175.109 0.000 . 1 . . . . 50 E C . 19576 1 234 . 1 1 50 50 GLU CA C 13 54.430 0.014 . 1 . . . . 50 E CA . 19576 1 235 . 1 1 50 50 GLU CB C 13 30.789 0.041 . 1 . . . . 50 E CB . 19576 1 236 . 1 1 50 50 GLU N N 15 124.545 0.036 . 1 . . . . 50 E N . 19576 1 237 . 1 1 51 51 ILE H H 1 8.564 0.001 . 1 . . . . 51 I HN . 19576 1 238 . 1 1 51 51 ILE C C 13 175.426 0.000 . 1 . . . . 51 I C . 19576 1 239 . 1 1 51 51 ILE CA C 13 60.112 0.006 . 1 . . . . 51 I CA . 19576 1 240 . 1 1 51 51 ILE CB C 13 38.609 0.001 . 1 . . . . 51 I CB . 19576 1 241 . 1 1 51 51 ILE N N 15 124.182 0.015 . 1 . . . . 51 I N . 19576 1 242 . 1 1 52 52 LYS H H 1 9.117 0.007 . 1 . . . . 52 K HN . 19576 1 243 . 1 1 52 52 LYS C C 13 175.554 0.000 . 1 . . . . 52 K C . 19576 1 244 . 1 1 52 52 LYS CA C 13 53.998 0.002 . 1 . . . . 52 K CA . 19576 1 245 . 1 1 52 52 LYS CB C 13 33.636 0.014 . 1 . . . . 52 K CB . 19576 1 246 . 1 1 52 52 LYS N N 15 128.231 0.036 . 1 . . . . 52 K N . 19576 1 247 . 1 1 53 53 VAL H H 1 8.741 0.000 . 1 . . . . 53 V HN . 19576 1 248 . 1 1 53 53 VAL C C 13 175.274 0.000 . 1 . . . . 53 V C . 19576 1 249 . 1 1 53 53 VAL CA C 13 61.825 0.022 . 1 . . . . 53 V CA . 19576 1 250 . 1 1 53 53 VAL CB C 13 32.189 0.000 . 1 . . . . 53 V CB . 19576 1 251 . 1 1 53 53 VAL N N 15 125.402 0.023 . 1 . . . . 53 V N . 19576 1 252 . 1 1 54 54 HIS H H 1 7.433 0.003 . 1 . . . . 54 H HN . 19576 1 253 . 1 1 54 54 HIS CA C 13 58.517 0.000 . 1 . . . . 54 H CA . 19576 1 254 . 1 1 54 54 HIS CB C 13 32.109 0.000 . 1 . . . . 54 H CB . 19576 1 255 . 1 1 54 54 HIS N N 15 128.571 0.018 . 1 . . . . 54 H N . 19576 1 256 . 1 1 55 55 SER C C 13 174.377 0.000 . 1 . . . . 55 S C . 19576 1 257 . 1 1 56 56 ALA H H 1 8.584 0.012 . 1 . . . . 56 A HN . 19576 1 258 . 1 1 56 56 ALA C C 13 176.803 0.000 . 1 . . . . 56 A C . 19576 1 259 . 1 1 56 56 ALA CA C 13 52.566 0.000 . 1 . . . . 56 A CA . 19576 1 260 . 1 1 56 56 ALA CB C 13 20.034 0.090 . 1 . . . . 56 A CB . 19576 1 261 . 1 1 56 56 ALA N N 15 124.929 0.030 . 1 . . . . 56 A N . 19576 1 262 . 1 1 57 57 ASP H H 1 9.068 0.005 . 1 . . . . 57 D HN . 19576 1 263 . 1 1 57 57 ASP C C 13 176.304 0.000 . 1 . . . . 57 D C . 19576 1 264 . 1 1 57 57 ASP CA C 13 52.339 0.000 . 1 . . . . 57 D CA . 19576 1 265 . 1 1 57 57 ASP CB C 13 40.282 0.043 . 1 . . . . 57 D CB . 19576 1 266 . 1 1 57 57 ASP N N 15 121.471 0.023 . 1 . . . . 57 D N . 19576 1 267 . 1 1 58 58 ASN H H 1 8.313 0.003 . 1 . . . . 58 N HN . 19576 1 268 . 1 1 58 58 ASN C C 13 174.101 0.000 . 1 . . . . 58 N C . 19576 1 269 . 1 1 58 58 ASN CA C 13 53.765 0.000 . 1 . . . . 58 N CA . 19576 1 270 . 1 1 58 58 ASN CB C 13 36.780 0.000 . 1 . . . . 58 N CB . 19576 1 271 . 1 1 58 58 ASN N N 15 122.091 0.000 . 1 . . . . 58 N N . 19576 1 272 . 1 1 59 59 THR H H 1 8.294 0.003 . 1 . . . . 59 T HN . 19576 1 273 . 1 1 59 59 THR C C 13 176.067 0.000 . 1 . . . . 59 T C . 19576 1 274 . 1 1 59 59 THR CA C 13 61.757 0.000 . 1 . . . . 59 T CA . 19576 1 275 . 1 1 59 59 THR CB C 13 69.474 0.000 . 1 . . . . 59 T CB . 19576 1 276 . 1 1 59 59 THR N N 15 104.917 0.029 . 1 . . . . 59 T N . 19576 1 277 . 1 1 60 60 ARG H H 1 7.495 0.006 . 1 . . . . 60 R HN . 19576 1 278 . 1 1 60 60 ARG C C 13 176.287 0.000 . 1 . . . . 60 R C . 19576 1 279 . 1 1 60 60 ARG CA C 13 55.941 0.022 . 1 . . . . 60 R CA . 19576 1 280 . 1 1 60 60 ARG CB C 13 33.120 0.001 . 1 . . . . 60 R CB . 19576 1 281 . 1 1 60 60 ARG N N 15 122.869 0.023 . 1 . . . . 60 R N . 19576 1 282 . 1 1 61 61 MET H H 1 8.955 0.002 . 1 . . . . 61 M HN . 19576 1 283 . 1 1 61 61 MET C C 13 172.551 0.000 . 1 . . . . 61 M C . 19576 1 284 . 1 1 61 61 MET CA C 13 54.758 0.000 . 1 . . . . 61 M CA . 19576 1 285 . 1 1 61 61 MET CB C 13 36.246 0.001 . 1 . . . . 61 M CB . 19576 1 286 . 1 1 61 61 MET N N 15 120.450 0.021 . 1 . . . . 61 M N . 19576 1 287 . 1 1 62 62 GLU H H 1 8.903 0.002 . 1 . . . . 62 E HN . 19576 1 288 . 1 1 62 62 GLU C C 13 173.529 0.000 . 1 . . . . 62 E C . 19576 1 289 . 1 1 62 62 GLU CA C 13 54.024 0.020 . 1 . . . . 62 E CA . 19576 1 290 . 1 1 62 62 GLU CB C 13 32.934 0.020 . 1 . . . . 62 E CB . 19576 1 291 . 1 1 62 62 GLU N N 15 121.224 0.028 . 1 . . . . 62 E N . 19576 1 292 . 1 1 63 63 LEU H H 1 8.562 0.006 . 1 . . . . 63 L HN . 19576 1 293 . 1 1 63 63 LEU C C 13 175.409 0.000 . 1 . . . . 63 L C . 19576 1 294 . 1 1 63 63 LEU CA C 13 52.811 0.017 . 1 . . . . 63 L CA . 19576 1 295 . 1 1 63 63 LEU CB C 13 43.193 0.030 . 1 . . . . 63 L CB . 19576 1 296 . 1 1 63 63 LEU N N 15 122.751 0.039 . 1 . . . . 63 L N . 19576 1 297 . 1 1 64 64 ILE H H 1 8.802 0.014 . 1 . . . . 64 I HN . 19576 1 298 . 1 1 64 64 ILE C C 13 175.598 0.000 . 1 . . . . 64 I C . 19576 1 299 . 1 1 64 64 ILE CA C 13 60.325 0.005 . 1 . . . . 64 I CA . 19576 1 300 . 1 1 64 64 ILE CB C 13 39.507 0.069 . 1 . . . . 64 I CB . 19576 1 301 . 1 1 64 64 ILE N N 15 123.420 0.009 . 1 . . . . 64 I N . 19576 1 302 . 1 1 65 65 ILE H H 1 8.517 0.004 . 1 . . . . 65 I HN . 19576 1 303 . 1 1 65 65 ILE CA C 13 58.118 0.000 . 1 . . . . 65 I CA . 19576 1 304 . 1 1 65 65 ILE CB C 13 38.478 0.000 . 1 . . . . 65 I CB . 19576 1 305 . 1 1 65 65 ILE N N 15 128.266 0.028 . 1 . . . . 65 I N . 19576 1 306 . 1 1 66 66 PRO C C 13 177.022 0.000 . 1 . . . . 66 P C . 19576 1 307 . 1 1 67 67 GLY H H 1 8.590 0.000 . 1 . . . . 67 G HN . 19576 1 308 . 1 1 67 67 GLY C C 13 174.172 0.000 . 1 . . . . 67 G C . 19576 1 309 . 1 1 67 67 GLY CA C 13 44.994 0.000 . 1 . . . . 67 G CA . 19576 1 310 . 1 1 67 67 GLY N N 15 112.014 0.000 . 1 . . . . 67 G N . 19576 1 311 . 1 1 68 68 GLU H H 1 8.301 0.004 . 1 . . . . 68 E HN . 19576 1 312 . 1 1 68 68 GLU C C 13 175.676 0.000 . 1 . . . . 68 E C . 19576 1 313 . 1 1 68 68 GLU CA C 13 56.280 0.025 . 1 . . . . 68 E CA . 19576 1 314 . 1 1 68 68 GLU CB C 13 30.272 0.000 . 1 . . . . 68 E CB . 19576 1 315 . 1 1 68 68 GLU N N 15 118.555 0.016 . 1 . . . . 68 E N . 19576 1 316 . 1 1 69 69 GLN H H 1 7.949 0.010 . 1 . . . . 69 Q HN . 19576 1 317 . 1 1 69 69 GLN C C 13 174.688 0.000 . 1 . . . . 69 Q C . 19576 1 318 . 1 1 69 69 GLN CA C 13 54.988 0.000 . 1 . . . . 69 Q CA . 19576 1 319 . 1 1 69 69 GLN CB C 13 31.131 0.000 . 1 . . . . 69 Q CB . 19576 1 320 . 1 1 69 69 GLN N N 15 117.225 0.028 . 1 . . . . 69 Q N . 19576 1 321 . 1 1 70 70 HIS H H 1 8.722 0.008 . 1 . . . . 70 H HN . 19576 1 322 . 1 1 70 70 HIS C C 13 173.290 0.000 . 1 . . . . 70 H C . 19576 1 323 . 1 1 70 70 HIS CA C 13 54.698 0.072 . 1 . . . . 70 H CA . 19576 1 324 . 1 1 70 70 HIS CB C 13 31.123 0.012 . 1 . . . . 70 H CB . 19576 1 325 . 1 1 70 70 HIS N N 15 122.772 0.038 . 1 . . . . 70 H N . 19576 1 326 . 1 1 71 71 PHE H H 1 9.086 0.006 . 1 . . . . 71 F HN . 19576 1 327 . 1 1 71 71 PHE C C 13 174.457 0.000 . 1 . . . . 71 F C . 19576 1 328 . 1 1 71 71 PHE CA C 13 55.650 0.002 . 1 . . . . 71 F CA . 19576 1 329 . 1 1 71 71 PHE CB C 13 40.700 0.012 . 1 . . . . 71 F CB . 19576 1 330 . 1 1 71 71 PHE N N 15 124.522 0.025 . 1 . . . . 71 F N . 19576 1 331 . 1 1 72 72 TYR H H 1 8.879 0.003 . 1 . . . . 72 Y HN . 19576 1 332 . 1 1 72 72 TYR C C 13 175.020 0.000 . 1 . . . . 72 Y C . 19576 1 333 . 1 1 72 72 TYR CA C 13 57.218 0.007 . 1 . . . . 72 Y CA . 19576 1 334 . 1 1 72 72 TYR CB C 13 39.082 0.045 . 1 . . . . 72 Y CB . 19576 1 335 . 1 1 72 72 TYR N N 15 123.147 0.016 . 1 . . . . 72 Y N . 19576 1 336 . 1 1 73 73 MET H H 1 8.767 0.002 . 1 . . . . 73 M HN . 19576 1 337 . 1 1 73 73 MET C C 13 175.014 0.000 . 1 . . . . 73 M C . 19576 1 338 . 1 1 73 73 MET CA C 13 54.300 0.000 . 1 . . . . 73 M CA . 19576 1 339 . 1 1 73 73 MET CB C 13 37.680 0.001 . 1 . . . . 73 M CB . 19576 1 340 . 1 1 73 73 MET N N 15 120.314 0.028 . 1 . . . . 73 M N . 19576 1 341 . 1 1 74 74 LYS H H 1 9.085 0.000 . 1 . . . . 74 K HN . 19576 1 342 . 1 1 74 74 LYS C C 13 174.515 0.000 . 1 . . . . 74 K C . 19576 1 343 . 1 1 74 74 LYS CA C 13 54.800 0.076 . 1 . . . . 74 K CA . 19576 1 344 . 1 1 74 74 LYS CB C 13 35.136 0.004 . 1 . . . . 74 K CB . 19576 1 345 . 1 1 74 74 LYS N N 15 120.907 0.024 . 1 . . . . 74 K N . 19576 1 346 . 1 1 75 75 ALA H H 1 8.703 0.001 . 1 . . . . 75 A HN . 19576 1 347 . 1 1 75 75 ALA C C 13 177.091 0.000 . 1 . . . . 75 A C . 19576 1 348 . 1 1 75 75 ALA CA C 13 49.449 0.009 . 1 . . . . 75 A CA . 19576 1 349 . 1 1 75 75 ALA CB C 13 20.331 0.017 . 1 . . . . 75 A CB . 19576 1 350 . 1 1 75 75 ALA N N 15 126.223 0.012 . 1 . . . . 75 A N . 19576 1 351 . 1 1 76 76 VAL H H 1 8.968 0.003 . 1 . . . . 76 V HN . 19576 1 352 . 1 1 76 76 VAL C C 13 175.658 0.000 . 1 . . . . 76 V C . 19576 1 353 . 1 1 76 76 VAL CA C 13 64.256 0.052 . 1 . . . . 76 V CA . 19576 1 354 . 1 1 76 76 VAL CB C 13 31.116 0.004 . 1 . . . . 76 V CB . 19576 1 355 . 1 1 76 76 VAL N N 15 114.876 0.020 . 1 . . . . 76 V N . 19576 1 356 . 1 1 77 77 ASN H H 1 7.179 0.005 . 1 . . . . 77 N HN . 19576 1 357 . 1 1 77 77 ASN C C 13 174.771 0.000 . 1 . . . . 77 N C . 19576 1 358 . 1 1 77 77 ASN CA C 13 51.838 0.034 . 1 . . . . 77 N CA . 19576 1 359 . 1 1 77 77 ASN CB C 13 39.065 0.005 . 1 . . . . 77 N CB . 19576 1 360 . 1 1 77 77 ASN N N 15 109.397 0.030 . 1 . . . . 77 N N . 19576 1 361 . 1 1 78 78 ALA H H 1 8.561 0.003 . 1 . . . . 78 A HN . 19576 1 362 . 1 1 78 78 ALA C C 13 180.244 0.000 . 1 . . . . 78 A C . 19576 1 363 . 1 1 78 78 ALA CA C 13 54.404 0.000 . 1 . . . . 78 A CA . 19576 1 364 . 1 1 78 78 ALA CB C 13 17.895 0.000 . 1 . . . . 78 A CB . 19576 1 365 . 1 1 78 78 ALA N N 15 121.875 0.026 . 1 . . . . 78 A N . 19576 1 366 . 1 1 79 79 ALA H H 1 8.294 0.001 . 1 . . . . 79 A HN . 19576 1 367 . 1 1 79 79 ALA C C 13 181.160 0.000 . 1 . . . . 79 A C . 19576 1 368 . 1 1 79 79 ALA CA C 13 54.639 0.027 . 1 . . . . 79 A CA . 19576 1 369 . 1 1 79 79 ALA CB C 13 16.836 0.021 . 1 . . . . 79 A CB . 19576 1 370 . 1 1 79 79 ALA N N 15 123.972 0.022 . 1 . . . . 79 A N . 19576 1 371 . 1 1 80 80 GLU H H 1 8.620 0.005 . 1 . . . . 80 E HN . 19576 1 372 . 1 1 80 80 GLU C C 13 178.926 0.000 . 1 . . . . 80 E C . 19576 1 373 . 1 1 80 80 GLU CA C 13 58.532 0.004 . 1 . . . . 80 E CA . 19576 1 374 . 1 1 80 80 GLU CB C 13 29.092 0.000 . 1 . . . . 80 E CB . 19576 1 375 . 1 1 80 80 GLU N N 15 119.801 0.027 . 1 . . . . 80 E N . 19576 1 376 . 1 1 81 81 ARG H H 1 7.830 0.007 . 1 . . . . 81 R HN . 19576 1 377 . 1 1 81 81 ARG C C 13 177.623 0.000 . 1 . . . . 81 R C . 19576 1 378 . 1 1 81 81 ARG CA C 13 60.559 0.011 . 1 . . . . 81 R CA . 19576 1 379 . 1 1 81 81 ARG CB C 13 28.698 0.080 . 1 . . . . 81 R CB . 19576 1 380 . 1 1 81 81 ARG N N 15 119.239 0.030 . 1 . . . . 81 R N . 19576 1 381 . 1 1 82 82 GLN H H 1 7.968 0.013 . 1 . . . . 82 Q HN . 19576 1 382 . 1 1 82 82 GLN C C 13 177.444 0.000 . 1 . . . . 82 Q C . 19576 1 383 . 1 1 82 82 GLN CA C 13 58.651 0.000 . 1 . . . . 82 Q CA . 19576 1 384 . 1 1 82 82 GLN CB C 13 26.829 0.038 . 1 . . . . 82 Q CB . 19576 1 385 . 1 1 82 82 GLN N N 15 118.619 0.025 . 1 . . . . 82 Q N . 19576 1 386 . 1 1 83 83 ARG H H 1 7.633 0.004 . 1 . . . . 83 R HN . 19576 1 387 . 1 1 83 83 ARG C C 13 180.252 0.000 . 1 . . . . 83 R C . 19576 1 388 . 1 1 83 83 ARG CA C 13 59.364 0.001 . 1 . . . . 83 R CA . 19576 1 389 . 1 1 83 83 ARG CB C 13 29.534 0.000 . 1 . . . . 83 R CB . 19576 1 390 . 1 1 83 83 ARG N N 15 117.951 0.026 . 1 . . . . 83 R N . 19576 1 391 . 1 1 84 84 TRP H H 1 7.817 0.003 . 1 . . . . 84 W HN . 19576 1 392 . 1 1 84 84 TRP HE1 H 1 10.581 0.000 . 1 . . . . 84 W HE1 . 19576 1 393 . 1 1 84 84 TRP C C 13 178.061 0.000 . 1 . . . . 84 W C . 19576 1 394 . 1 1 84 84 TRP CA C 13 61.316 0.029 . 1 . . . . 84 W CA . 19576 1 395 . 1 1 84 84 TRP N N 15 119.545 0.035 . 1 . . . . 84 W N . 19576 1 396 . 1 1 84 84 TRP NE1 N 15 130.933 0.000 . 1 . . . . 84 W NE1 . 19576 1 397 . 1 1 85 85 LEU H H 1 8.919 0.003 . 1 . . . . 85 L HN . 19576 1 398 . 1 1 85 85 LEU C C 13 180.809 0.000 . 1 . . . . 85 L C . 19576 1 399 . 1 1 85 85 LEU CA C 13 58.236 0.007 . 1 . . . . 85 L CA . 19576 1 400 . 1 1 85 85 LEU CB C 13 40.505 0.038 . 1 . . . . 85 L CB . 19576 1 401 . 1 1 85 85 LEU N N 15 120.102 0.047 . 1 . . . . 85 L N . 19576 1 402 . 1 1 86 86 VAL H H 1 8.135 0.003 . 1 . . . . 86 V HN . 19576 1 403 . 1 1 86 86 VAL C C 13 178.886 0.000 . 1 . . . . 86 V C . 19576 1 404 . 1 1 86 86 VAL CA C 13 65.686 0.008 . 1 . . . . 86 V CA . 19576 1 405 . 1 1 86 86 VAL CB C 13 31.034 0.000 . 1 . . . . 86 V CB . 19576 1 406 . 1 1 86 86 VAL N N 15 119.900 0.021 . 1 . . . . 86 V N . 19576 1 407 . 1 1 87 87 ALA H H 1 7.254 0.011 . 1 . . . . 87 A HN . 19576 1 408 . 1 1 87 87 ALA C C 13 180.578 0.000 . 1 . . . . 87 A C . 19576 1 409 . 1 1 87 87 ALA CA C 13 54.745 0.061 . 1 . . . . 87 A CA . 19576 1 410 . 1 1 87 87 ALA CB C 13 17.975 0.000 . 1 . . . . 87 A CB . 19576 1 411 . 1 1 87 87 ALA N N 15 123.383 0.024 . 1 . . . . 87 A N . 19576 1 412 . 1 1 88 88 LEU H H 1 9.264 0.003 . 1 . . . . 88 L HN . 19576 1 413 . 1 1 88 88 LEU C C 13 179.136 0.000 . 1 . . . . 88 L C . 19576 1 414 . 1 1 88 88 LEU CA C 13 57.102 0.018 . 1 . . . . 88 L CA . 19576 1 415 . 1 1 88 88 LEU CB C 13 41.198 0.000 . 1 . . . . 88 L CB . 19576 1 416 . 1 1 88 88 LEU N N 15 118.561 0.065 . 1 . . . . 88 L N . 19576 1 417 . 1 1 89 89 GLY H H 1 8.159 0.007 . 1 . . . . 89 G HN . 19576 1 418 . 1 1 89 89 GLY C C 13 176.107 0.000 . 1 . . . . 89 G C . 19576 1 419 . 1 1 89 89 GLY CA C 13 46.125 0.018 . 1 . . . . 89 G CA . 19576 1 420 . 1 1 89 89 GLY N N 15 106.052 0.034 . 1 . . . . 89 G N . 19576 1 421 . 1 1 90 90 SER H H 1 7.894 0.005 . 1 . . . . 90 S HN . 19576 1 422 . 1 1 90 90 SER C C 13 175.794 0.000 . 1 . . . . 90 S C . 19576 1 423 . 1 1 90 90 SER CA C 13 60.041 0.000 . 1 . . . . 90 S CA . 19576 1 424 . 1 1 90 90 SER CB C 13 62.828 0.000 . 1 . . . . 90 S CB . 19576 1 425 . 1 1 90 90 SER N N 15 116.587 0.031 . 1 . . . . 90 S N . 19576 1 426 . 1 1 91 91 SER H H 1 7.784 0.003 . 1 . . . . 91 S HN . 19576 1 427 . 1 1 91 91 SER C C 13 175.244 0.000 . 1 . . . . 91 S C . 19576 1 428 . 1 1 91 91 SER CA C 13 59.960 0.011 . 1 . . . . 91 S CA . 19576 1 429 . 1 1 91 91 SER CB C 13 63.526 0.040 . 1 . . . . 91 S CB . 19576 1 430 . 1 1 91 91 SER N N 15 117.027 0.019 . 1 . . . . 91 S N . 19576 1 431 . 1 1 92 92 LYS H H 1 7.668 0.002 . 1 . . . . 92 K HN . 19576 1 432 . 1 1 92 92 LYS C C 13 176.590 0.000 . 1 . . . . 92 K C . 19576 1 433 . 1 1 92 92 LYS CA C 13 57.205 0.001 . 1 . . . . 92 K CA . 19576 1 434 . 1 1 92 92 LYS CB C 13 31.574 0.075 . 1 . . . . 92 K CB . 19576 1 435 . 1 1 92 92 LYS N N 15 120.348 0.039 . 1 . . . . 92 K N . 19576 1 436 . 1 1 93 93 ALA H H 1 7.752 0.001 . 1 . . . . 93 A HN . 19576 1 437 . 1 1 93 93 ALA C C 13 177.610 0.000 . 1 . . . . 93 A C . 19576 1 438 . 1 1 93 93 ALA CA C 13 52.510 0.004 . 1 . . . . 93 A CA . 19576 1 439 . 1 1 93 93 ALA CB C 13 18.288 0.006 . 1 . . . . 93 A CB . 19576 1 440 . 1 1 93 93 ALA N N 15 121.973 0.012 . 1 . . . . 93 A N . 19576 1 441 . 1 1 94 94 CYS H H 1 7.954 0.001 . 1 . . . . 94 C HN . 19576 1 442 . 1 1 94 94 CYS C C 13 174.791 0.000 . 1 . . . . 94 C C . 19576 1 443 . 1 1 94 94 CYS CA C 13 58.712 0.007 . 1 . . . . 94 C CA . 19576 1 444 . 1 1 94 94 CYS CB C 13 27.307 0.030 . 1 . . . . 94 C CB . 19576 1 445 . 1 1 94 94 CYS N N 15 117.594 0.018 . 1 . . . . 94 C N . 19576 1 446 . 1 1 95 95 LEU H H 1 8.180 0.002 . 1 . . . . 95 L HN . 19576 1 447 . 1 1 95 95 LEU CA C 13 54.645 0.434 . 1 . . . . 95 L CA . 19576 1 448 . 1 1 95 95 LEU CB C 13 41.023 0.394 . 1 . . . . 95 L CB . 19576 1 449 . 1 1 95 95 LEU N N 15 124.275 0.015 . 1 . . . . 95 L N . 19576 1 450 . 1 1 96 96 THR H H 1 7.995 0.001 . 1 . . . . 96 T HN . 19576 1 451 . 1 1 96 96 THR C C 13 174.294 0.000 . 1 . . . . 96 T C . 19576 1 452 . 1 1 96 96 THR CA C 13 61.608 0.003 . 1 . . . . 96 T CA . 19576 1 453 . 1 1 96 96 THR CB C 13 69.200 0.033 . 1 . . . . 96 T CB . 19576 1 454 . 1 1 96 96 THR N N 15 114.025 0.010 . 1 . . . . 96 T N . 19576 1 455 . 1 1 97 97 ASP H H 1 8.222 0.002 . 1 . . . . 97 D HN . 19576 1 456 . 1 1 97 97 ASP CA C 13 54.212 0.000 . 1 . . . . 97 D CA . 19576 1 457 . 1 1 97 97 ASP CB C 13 40.572 0.000 . 1 . . . . 97 D CB . 19576 1 458 . 1 1 97 97 ASP N N 15 122.709 0.007 . 1 . . . . 97 D N . 19576 1 459 . 1 1 98 98 THR CA C 13 61.580 0.000 . 1 . . . . 98 T CA . 19576 1 460 . 1 1 98 98 THR CB C 13 69.141 0.000 . 1 . . . . 98 T CB . 19576 1 461 . 1 1 99 99 LEU H H 1 8.110 0.002 . 1 . . . . 99 L HN . 19576 1 462 . 1 1 99 99 LEU CA C 13 55.119 0.017 . 1 . . . . 99 L CA . 19576 1 463 . 1 1 99 99 LEU CB C 13 41.272 0.005 . 1 . . . . 99 L CB . 19576 1 464 . 1 1 99 99 LEU N N 15 123.709 0.022 . 1 . . . . 99 L N . 19576 1 465 . 1 1 100 100 GLU H H 1 8.157 0.003 . 1 . . . . 100 E HN . 19576 1 466 . 1 1 100 100 GLU CA C 13 56.299 0.000 . 1 . . . . 100 E CA . 19576 1 467 . 1 1 100 100 GLU CB C 13 29.305 0.000 . 1 . . . . 100 E CB . 19576 1 468 . 1 1 100 100 GLU N N 15 120.701 0.025 . 1 . . . . 100 E N . 19576 1 stop_ save_ save_FAPP1_with_DMPC-DHPC_and_PI4P _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode FAPP1_with_DMPC-DHPC_and_PI4P _Assigned_chem_shift_list.Entry_ID 19576 _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 4 '2D 1H-15N HSQC' . . . 19576 2 5 '3D HNCACB' . . . 19576 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 GLY H H 1 7.917 0.000 . 1 . . . . 3 G HN . 19576 2 2 . 1 1 3 3 GLY CA C 13 44.879 0.005 . 1 . . . . 3 G CA . 19576 2 3 . 1 1 3 3 GLY N N 15 107.897 0.010 . 1 . . . . 3 G N . 19576 2 4 . 1 1 4 4 VAL H H 1 8.451 0.000 . 1 . . . . 4 V HN . 19576 2 5 . 1 1 4 4 VAL CA C 13 61.587 0.000 . 1 . . . . 4 V CA . 19576 2 6 . 1 1 4 4 VAL CB C 13 32.483 0.005 . 1 . . . . 4 V CB . 19576 2 7 . 1 1 4 4 VAL N N 15 119.838 0.006 . 1 . . . . 4 V N . 19576 2 8 . 1 1 5 5 LEU H H 1 8.714 0.001 . 1 . . . . 5 L HN . 19576 2 9 . 1 1 5 5 LEU CA C 13 53.869 0.051 . 1 . . . . 5 L CA . 19576 2 10 . 1 1 5 5 LEU CB C 13 45.129 0.000 . 1 . . . . 5 L CB . 19576 2 11 . 1 1 5 5 LEU N N 15 126.200 0.006 . 1 . . . . 5 L N . 19576 2 12 . 1 1 6 6 TYR H H 1 8.707 0.002 . 1 . . . . 6 Y HN . 19576 2 13 . 1 1 6 6 TYR CA C 13 57.840 0.020 . 1 . . . . 6 Y CA . 19576 2 14 . 1 1 6 6 TYR CB C 13 38.343 0.015 . 1 . . . . 6 Y CB . 19576 2 15 . 1 1 6 6 TYR N N 15 119.848 0.010 . 1 . . . . 6 Y N . 19576 2 16 . 1 1 7 7 LYS H H 1 9.606 0.002 . 1 . . . . 7 K HN . 19576 2 17 . 1 1 7 7 LYS CA C 13 53.438 0.000 . 1 . . . . 7 K CA . 19576 2 18 . 1 1 7 7 LYS CB C 13 36.639 0.000 . 1 . . . . 7 K CB . 19576 2 19 . 1 1 7 7 LYS N N 15 124.819 0.027 . 1 . . . . 7 K N . 19576 2 20 . 1 1 8 8 TRP H H 1 8.144 0.000 . 1 . . . . 8 W HN . 19576 2 21 . 1 1 8 8 TRP N N 15 127.485 0.000 . 1 . . . . 8 W N . 19576 2 22 . 1 1 9 9 THR H H 1 6.426 0.000 . 1 . . . . 9 T HN . 19576 2 23 . 1 1 9 9 THR N N 15 122.224 0.000 . 1 . . . . 9 T N . 19576 2 24 . 1 1 10 10 ASN H H 1 7.414 0.000 . 1 . . . . 10 N HN . 19576 2 25 . 1 1 10 10 ASN N N 15 116.996 0.000 . 1 . . . . 10 N N . 19576 2 26 . 1 1 11 11 TYR H H 1 8.475 0.001 . 1 . . . . 11 Y HN . 19576 2 27 . 1 1 11 11 TYR CA C 13 56.185 0.000 . 1 . . . . 11 Y CA . 19576 2 28 . 1 1 11 11 TYR CB C 13 41.565 0.000 . 1 . . . . 11 Y CB . 19576 2 29 . 1 1 11 11 TYR N N 15 115.882 0.024 . 1 . . . . 11 Y N . 19576 2 30 . 1 1 12 12 LEU H H 1 8.201 0.000 . 1 . . . . 12 L HN . 19576 2 31 . 1 1 12 12 LEU N N 15 116.483 0.000 . 1 . . . . 12 L N . 19576 2 32 . 1 1 13 13 THR H H 1 7.664 0.000 . 1 . . . . 13 T HN . 19576 2 33 . 1 1 13 13 THR N N 15 104.493 0.000 . 1 . . . . 13 T N . 19576 2 34 . 1 1 14 14 GLY H H 1 7.752 0.003 . 1 . . . . 14 G HN . 19576 2 35 . 1 1 14 14 GLY CA C 13 45.869 0.014 . 1 . . . . 14 G CA . 19576 2 36 . 1 1 14 14 GLY N N 15 110.471 0.015 . 1 . . . . 14 G N . 19576 2 37 . 1 1 15 15 TRP H H 1 9.193 0.001 . 1 . . . . 15 W HN . 19576 2 38 . 1 1 15 15 TRP CA C 13 56.787 0.014 . 1 . . . . 15 W CA . 19576 2 39 . 1 1 15 15 TRP CB C 13 28.306 0.000 . 1 . . . . 15 W CB . 19576 2 40 . 1 1 15 15 TRP N N 15 130.775 0.029 . 1 . . . . 15 W N . 19576 2 41 . 1 1 16 16 GLN H H 1 8.816 0.001 . 1 . . . . 16 Q HN . 19576 2 42 . 1 1 16 16 GLN CA C 13 51.821 0.000 . 1 . . . . 16 Q CA . 19576 2 43 . 1 1 16 16 GLN CB C 13 30.788 0.000 . 1 . . . . 16 Q CB . 19576 2 44 . 1 1 16 16 GLN N N 15 122.304 0.014 . 1 . . . . 16 Q N . 19576 2 45 . 1 1 17 17 PRO CA C 13 62.513 0.000 . 1 . . . . 17 P CA . 19576 2 46 . 1 1 17 17 PRO CB C 13 30.642 0.000 . 1 . . . . 17 P CB . 19576 2 47 . 1 1 18 18 ARG H H 1 8.918 0.001 . 1 . . . . 18 R HN . 19576 2 48 . 1 1 18 18 ARG CA C 13 53.490 0.024 . 1 . . . . 18 R CA . 19576 2 49 . 1 1 18 18 ARG CB C 13 33.381 0.053 . 1 . . . . 18 R CB . 19576 2 50 . 1 1 18 18 ARG N N 15 123.982 0.007 . 1 . . . . 18 R N . 19576 2 51 . 1 1 19 19 TRP H H 1 8.415 0.004 . 1 . . . . 19 W HN . 19576 2 52 . 1 1 19 19 TRP CA C 13 55.608 0.000 . 1 . . . . 19 W CA . 19576 2 53 . 1 1 19 19 TRP CB C 13 30.910 0.079 . 1 . . . . 19 W CB . 19576 2 54 . 1 1 19 19 TRP N N 15 121.742 0.018 . 1 . . . . 19 W N . 19576 2 55 . 1 1 20 20 PHE H H 1 8.813 0.004 . 1 . . . . 20 F HN . 19576 2 56 . 1 1 20 20 PHE CA C 13 56.532 0.016 . 1 . . . . 20 F CA . 19576 2 57 . 1 1 20 20 PHE CB C 13 42.337 0.054 . 1 . . . . 20 F CB . 19576 2 58 . 1 1 20 20 PHE N N 15 127.350 0.024 . 1 . . . . 20 F N . 19576 2 59 . 1 1 21 21 VAL H H 1 8.957 0.001 . 1 . . . . 21 V HN . 19576 2 60 . 1 1 21 21 VAL CA C 13 61.470 0.027 . 1 . . . . 21 V CA . 19576 2 61 . 1 1 21 21 VAL CB C 13 35.255 0.032 . 1 . . . . 21 V CB . 19576 2 62 . 1 1 21 21 VAL N N 15 117.658 0.034 . 1 . . . . 21 V N . 19576 2 63 . 1 1 22 22 LEU H H 1 9.091 0.002 . 1 . . . . 22 L HN . 19576 2 64 . 1 1 22 22 LEU CA C 13 52.860 0.000 . 1 . . . . 22 L CA . 19576 2 65 . 1 1 22 22 LEU CB C 13 44.386 0.000 . 1 . . . . 22 L CB . 19576 2 66 . 1 1 22 22 LEU N N 15 130.128 0.023 . 1 . . . . 22 L N . 19576 2 67 . 1 1 23 23 ASP CB C 13 43.381 0.000 . 1 . . . . 23 D CB . 19576 2 68 . 1 1 24 24 ASN H H 1 9.090 0.001 . 1 . . . . 24 N HN . 19576 2 69 . 1 1 24 24 ASN CA C 13 53.876 0.000 . 1 . . . . 24 N CA . 19576 2 70 . 1 1 24 24 ASN CB C 13 37.161 0.003 . 1 . . . . 24 N CB . 19576 2 71 . 1 1 24 24 ASN N N 15 125.027 0.008 . 1 . . . . 24 N N . 19576 2 72 . 1 1 25 25 GLY H H 1 8.684 0.003 . 1 . . . . 25 G HN . 19576 2 73 . 1 1 25 25 GLY CA C 13 45.419 0.008 . 1 . . . . 25 G CA . 19576 2 74 . 1 1 25 25 GLY N N 15 102.669 0.044 . 1 . . . . 25 G N . 19576 2 75 . 1 1 26 26 ILE H H 1 7.918 0.001 . 1 . . . . 26 I HN . 19576 2 76 . 1 1 26 26 ILE CA C 13 58.925 0.021 . 1 . . . . 26 I CA . 19576 2 77 . 1 1 26 26 ILE CB C 13 38.826 0.008 . 1 . . . . 26 I CB . 19576 2 78 . 1 1 26 26 ILE N N 15 122.561 0.020 . 1 . . . . 26 I N . 19576 2 79 . 1 1 27 27 LEU H H 1 9.004 0.002 . 1 . . . . 27 L HN . 19576 2 80 . 1 1 27 27 LEU CA C 13 52.757 0.001 . 1 . . . . 27 L CA . 19576 2 81 . 1 1 27 27 LEU CB C 13 43.327 0.124 . 1 . . . . 27 L CB . 19576 2 82 . 1 1 27 27 LEU N N 15 131.732 0.026 . 1 . . . . 27 L N . 19576 2 83 . 1 1 28 28 SER H H 1 9.426 0.002 . 1 . . . . 28 S HN . 19576 2 84 . 1 1 28 28 SER CA C 13 56.954 0.000 . 1 . . . . 28 S CA . 19576 2 85 . 1 1 28 28 SER CB C 13 65.478 0.000 . 1 . . . . 28 S CB . 19576 2 86 . 1 1 28 28 SER N N 15 123.376 0.052 . 1 . . . . 28 S N . 19576 2 87 . 1 1 29 29 TYR H H 1 7.715 0.002 . 1 . . . . 29 Y HN . 19576 2 88 . 1 1 29 29 TYR CA C 13 54.875 0.000 . 1 . . . . 29 Y CA . 19576 2 89 . 1 1 29 29 TYR CB C 13 40.192 0.000 . 1 . . . . 29 Y CB . 19576 2 90 . 1 1 29 29 TYR N N 15 117.637 0.008 . 1 . . . . 29 Y N . 19576 2 91 . 1 1 30 30 TYR H H 1 8.902 0.000 . 1 . . . . 30 Y HN . 19576 2 92 . 1 1 30 30 TYR CA C 13 55.514 0.011 . 1 . . . . 30 Y CA . 19576 2 93 . 1 1 30 30 TYR CB C 13 42.773 0.046 . 1 . . . . 30 Y CB . 19576 2 94 . 1 1 30 30 TYR N N 15 117.728 0.019 . 1 . . . . 30 Y N . 19576 2 95 . 1 1 31 31 ASP H H 1 9.524 0.002 . 1 . . . . 31 D HN . 19576 2 96 . 1 1 31 31 ASP CA C 13 58.079 0.029 . 1 . . . . 31 D CA . 19576 2 97 . 1 1 31 31 ASP CB C 13 39.948 0.000 . 1 . . . . 31 D CB . 19576 2 98 . 1 1 31 31 ASP N N 15 122.277 0.022 . 1 . . . . 31 D N . 19576 2 99 . 1 1 32 32 SER H H 1 7.369 0.003 . 1 . . . . 32 S HN . 19576 2 100 . 1 1 32 32 SER CA C 13 56.804 0.000 . 1 . . . . 32 S CA . 19576 2 101 . 1 1 32 32 SER CB C 13 65.513 0.234 . 1 . . . . 32 S CB . 19576 2 102 . 1 1 32 32 SER N N 15 107.263 0.014 . 1 . . . . 32 S N . 19576 2 103 . 1 1 33 33 GLN H H 1 8.649 0.003 . 1 . . . . 33 Q HN . 19576 2 104 . 1 1 33 33 GLN CA C 13 57.566 0.052 . 1 . . . . 33 Q CA . 19576 2 105 . 1 1 33 33 GLN CB C 13 26.233 0.011 . 1 . . . . 33 Q CB . 19576 2 106 . 1 1 33 33 GLN N N 15 123.044 0.020 . 1 . . . . 33 Q N . 19576 2 107 . 1 1 34 34 ASP H H 1 7.625 0.002 . 1 . . . . 34 D HN . 19576 2 108 . 1 1 34 34 ASP CA C 13 55.401 0.065 . 1 . . . . 34 D CA . 19576 2 109 . 1 1 34 34 ASP CB C 13 39.888 0.033 . 1 . . . . 34 D CB . 19576 2 110 . 1 1 34 34 ASP N N 15 116.788 0.008 . 1 . . . . 34 D N . 19576 2 111 . 1 1 35 35 ASP H H 1 7.296 0.003 . 1 . . . . 35 D HN . 19576 2 112 . 1 1 35 35 ASP CA C 13 54.390 0.040 . 1 . . . . 35 D CA . 19576 2 113 . 1 1 35 35 ASP CB C 13 41.936 0.007 . 1 . . . . 35 D CB . 19576 2 114 . 1 1 35 35 ASP N N 15 117.182 0.012 . 1 . . . . 35 D N . 19576 2 115 . 1 1 36 36 VAL H H 1 6.897 0.001 . 1 . . . . 36 V HN . 19576 2 116 . 1 1 36 36 VAL CA C 13 64.725 0.018 . 1 . . . . 36 V CA . 19576 2 117 . 1 1 36 36 VAL N N 15 120.939 0.004 . 1 . . . . 36 V N . 19576 2 118 . 1 1 37 37 CYS H H 1 8.006 0.000 . 1 . . . . 37 C HN . 19576 2 119 . 1 1 37 37 CYS CA C 13 58.781 0.019 . 1 . . . . 37 C CA . 19576 2 120 . 1 1 37 37 CYS CB C 13 26.667 0.000 . 1 . . . . 37 C CB . 19576 2 121 . 1 1 37 37 CYS N N 15 115.320 0.023 . 1 . . . . 37 C N . 19576 2 122 . 1 1 38 38 LYS H H 1 7.752 0.001 . 1 . . . . 38 K HN . 19576 2 123 . 1 1 38 38 LYS CA C 13 56.474 0.001 . 1 . . . . 38 K CA . 19576 2 124 . 1 1 38 38 LYS CB C 13 32.317 0.027 . 1 . . . . 38 K CB . 19576 2 125 . 1 1 38 38 LYS N N 15 121.888 0.024 . 1 . . . . 38 K N . 19576 2 126 . 1 1 39 39 GLY H H 1 7.590 0.001 . 1 . . . . 39 G HN . 19576 2 127 . 1 1 39 39 GLY CA C 13 43.707 0.012 . 1 . . . . 39 G CA . 19576 2 128 . 1 1 39 39 GLY N N 15 107.247 0.049 . 1 . . . . 39 G N . 19576 2 129 . 1 1 40 40 SER H H 1 8.311 0.002 . 1 . . . . 40 S HN . 19576 2 130 . 1 1 40 40 SER CA C 13 57.529 0.045 . 1 . . . . 40 S CA . 19576 2 131 . 1 1 40 40 SER CB C 13 63.340 0.050 . 1 . . . . 40 S CB . 19576 2 132 . 1 1 40 40 SER N N 15 115.969 0.016 . 1 . . . . 40 S N . 19576 2 133 . 1 1 41 41 LYS H H 1 8.203 0.003 . 1 . . . . 41 K HN . 19576 2 134 . 1 1 41 41 LYS CA C 13 56.714 0.000 . 1 . . . . 41 K CA . 19576 2 135 . 1 1 41 41 LYS CB C 13 31.426 0.000 . 1 . . . . 41 K CB . 19576 2 136 . 1 1 41 41 LYS N N 15 122.357 0.017 . 1 . . . . 41 K N . 19576 2 137 . 1 1 42 42 GLY H H 1 6.538 0.000 . 1 . . . . 42 G HN . 19576 2 138 . 1 1 42 42 GLY CA C 13 44.548 0.017 . 1 . . . . 42 G CA . 19576 2 139 . 1 1 42 42 GLY N N 15 104.190 0.047 . 1 . . . . 42 G N . 19576 2 140 . 1 1 43 43 SER H H 1 8.241 0.002 . 1 . . . . 43 S HN . 19576 2 141 . 1 1 43 43 SER CA C 13 57.166 0.012 . 1 . . . . 43 S CA . 19576 2 142 . 1 1 43 43 SER CB C 13 65.671 0.120 . 1 . . . . 43 S CB . 19576 2 143 . 1 1 43 43 SER N N 15 113.413 0.048 . 1 . . . . 43 S N . 19576 2 144 . 1 1 44 44 ILE H H 1 9.185 0.003 . 1 . . . . 44 I HN . 19576 2 145 . 1 1 44 44 ILE CA C 13 59.473 0.013 . 1 . . . . 44 I CA . 19576 2 146 . 1 1 44 44 ILE CB C 13 41.508 0.028 . 1 . . . . 44 I CB . 19576 2 147 . 1 1 44 44 ILE N N 15 121.785 0.013 . 1 . . . . 44 I N . 19576 2 148 . 1 1 45 45 LYS H H 1 8.198 0.001 . 1 . . . . 45 K HN . 19576 2 149 . 1 1 45 45 LYS CA C 13 55.697 0.000 . 1 . . . . 45 K CA . 19576 2 150 . 1 1 45 45 LYS CB C 13 31.480 0.008 . 1 . . . . 45 K CB . 19576 2 151 . 1 1 45 45 LYS N N 15 126.880 0.027 . 1 . . . . 45 K N . 19576 2 152 . 1 1 46 46 MET H H 1 8.083 0.002 . 1 . . . . 46 M HN . 19576 2 153 . 1 1 46 46 MET CB C 13 28.244 0.000 . 1 . . . . 46 M CB . 19576 2 154 . 1 1 46 46 MET N N 15 123.240 0.019 . 1 . . . . 46 M N . 19576 2 155 . 1 1 47 47 ALA H H 1 8.724 0.003 . 1 . . . . 47 A HN . 19576 2 156 . 1 1 47 47 ALA CA C 13 54.682 0.010 . 1 . . . . 47 A CA . 19576 2 157 . 1 1 47 47 ALA CB C 13 18.476 0.006 . 1 . . . . 47 A CB . 19576 2 158 . 1 1 47 47 ALA N N 15 119.408 0.015 . 1 . . . . 47 A N . 19576 2 159 . 1 1 48 48 VAL H H 1 7.050 0.002 . 1 . . . . 48 V HN . 19576 2 160 . 1 1 48 48 VAL CA C 13 59.689 0.041 . 1 . . . . 48 V CA . 19576 2 161 . 1 1 48 48 VAL CB C 13 31.024 0.000 . 1 . . . . 48 V CB . 19576 2 162 . 1 1 48 48 VAL N N 15 106.358 0.014 . 1 . . . . 48 V N . 19576 2 163 . 1 1 49 49 CYS H H 1 7.291 0.003 . 1 . . . . 49 C HN . 19576 2 164 . 1 1 49 49 CYS CA C 13 57.569 0.022 . 1 . . . . 49 C CA . 19576 2 165 . 1 1 49 49 CYS CB C 13 29.553 0.000 . 1 . . . . 49 C CB . 19576 2 166 . 1 1 49 49 CYS N N 15 120.284 0.008 . 1 . . . . 49 C N . 19576 2 167 . 1 1 50 50 GLU H H 1 9.073 0.002 . 1 . . . . 50 E HN . 19576 2 168 . 1 1 50 50 GLU CA C 13 54.519 0.013 . 1 . . . . 50 E CA . 19576 2 169 . 1 1 50 50 GLU CB C 13 30.340 0.026 . 1 . . . . 50 E CB . 19576 2 170 . 1 1 50 50 GLU N N 15 126.025 0.023 . 1 . . . . 50 E N . 19576 2 171 . 1 1 51 51 ILE H H 1 8.543 0.001 . 1 . . . . 51 I HN . 19576 2 172 . 1 1 51 51 ILE CA C 13 60.258 0.016 . 1 . . . . 51 I CA . 19576 2 173 . 1 1 51 51 ILE CB C 13 38.358 0.035 . 1 . . . . 51 I CB . 19576 2 174 . 1 1 51 51 ILE N N 15 124.631 0.009 . 1 . . . . 51 I N . 19576 2 175 . 1 1 52 52 LYS H H 1 9.081 0.001 . 1 . . . . 52 K HN . 19576 2 176 . 1 1 52 52 LYS CA C 13 54.109 0.027 . 1 . . . . 52 K CA . 19576 2 177 . 1 1 52 52 LYS CB C 13 33.823 0.027 . 1 . . . . 52 K CB . 19576 2 178 . 1 1 52 52 LYS N N 15 128.767 0.034 . 1 . . . . 52 K N . 19576 2 179 . 1 1 53 53 VAL H H 1 8.753 0.002 . 1 . . . . 53 V HN . 19576 2 180 . 1 1 53 53 VAL CA C 13 61.710 0.055 . 1 . . . . 53 V CA . 19576 2 181 . 1 1 53 53 VAL CB C 13 32.140 0.000 . 1 . . . . 53 V CB . 19576 2 182 . 1 1 53 53 VAL N N 15 126.061 0.046 . 1 . . . . 53 V N . 19576 2 183 . 1 1 54 54 HIS H H 1 7.436 0.003 . 1 . . . . 54 H HN . 19576 2 184 . 1 1 54 54 HIS CA C 13 58.692 0.000 . 1 . . . . 54 H CA . 19576 2 185 . 1 1 54 54 HIS CB C 13 31.888 0.000 . 1 . . . . 54 H CB . 19576 2 186 . 1 1 54 54 HIS N N 15 128.603 0.067 . 1 . . . . 54 H N . 19576 2 187 . 1 1 55 55 SER CA C 13 60.456 0.000 . 1 . . . . 55 S CA . 19576 2 188 . 1 1 56 56 ALA H H 1 8.484 0.001 . 1 . . . . 56 A HN . 19576 2 189 . 1 1 56 56 ALA CA C 13 52.776 0.000 . 1 . . . . 56 A CA . 19576 2 190 . 1 1 56 56 ALA CB C 13 20.216 0.000 . 1 . . . . 56 A CB . 19576 2 191 . 1 1 56 56 ALA N N 15 124.917 0.014 . 1 . . . . 56 A N . 19576 2 192 . 1 1 57 57 ASP H H 1 9.244 0.002 . 1 . . . . 57 D HN . 19576 2 193 . 1 1 57 57 ASP CA C 13 52.176 0.000 . 1 . . . . 57 D CA . 19576 2 194 . 1 1 57 57 ASP CB C 13 40.207 0.105 . 1 . . . . 57 D CB . 19576 2 195 . 1 1 57 57 ASP N N 15 121.644 0.021 . 1 . . . . 57 D N . 19576 2 196 . 1 1 58 58 ASN H H 1 8.308 0.001 . 1 . . . . 58 N HN . 19576 2 197 . 1 1 58 58 ASN CA C 13 53.756 0.000 . 1 . . . . 58 N CA . 19576 2 198 . 1 1 58 58 ASN CB C 13 36.887 0.000 . 1 . . . . 58 N CB . 19576 2 199 . 1 1 58 58 ASN N N 15 121.984 0.025 . 1 . . . . 58 N N . 19576 2 200 . 1 1 59 59 THR H H 1 8.248 0.000 . 1 . . . . 59 T HN . 19576 2 201 . 1 1 59 59 THR N N 15 104.729 0.000 . 1 . . . . 59 T N . 19576 2 202 . 1 1 60 60 ARG H H 1 7.523 0.001 . 1 . . . . 60 R HN . 19576 2 203 . 1 1 60 60 ARG CA C 13 55.654 0.015 . 1 . . . . 60 R CA . 19576 2 204 . 1 1 60 60 ARG CB C 13 32.820 0.078 . 1 . . . . 60 R CB . 19576 2 205 . 1 1 60 60 ARG N N 15 123.324 0.029 . 1 . . . . 60 R N . 19576 2 206 . 1 1 61 61 MET H H 1 9.169 0.005 . 1 . . . . 61 M HN . 19576 2 207 . 1 1 61 61 MET CA C 13 54.479 0.000 . 1 . . . . 61 M CA . 19576 2 208 . 1 1 61 61 MET CB C 13 36.499 0.010 . 1 . . . . 61 M CB . 19576 2 209 . 1 1 61 61 MET N N 15 121.616 0.015 . 1 . . . . 61 M N . 19576 2 210 . 1 1 62 62 GLU H H 1 8.920 0.001 . 1 . . . . 62 E HN . 19576 2 211 . 1 1 62 62 GLU CA C 13 53.846 0.000 . 1 . . . . 62 E CA . 19576 2 212 . 1 1 62 62 GLU CB C 13 33.333 0.000 . 1 . . . . 62 E CB . 19576 2 213 . 1 1 62 62 GLU N N 15 120.791 0.027 . 1 . . . . 62 E N . 19576 2 214 . 1 1 63 63 LEU H H 1 8.575 0.000 . 1 . . . . 63 L HN . 19576 2 215 . 1 1 63 63 LEU CA C 13 52.880 0.000 . 1 . . . . 63 L CA . 19576 2 216 . 1 1 63 63 LEU CB C 13 43.325 0.000 . 1 . . . . 63 L CB . 19576 2 217 . 1 1 63 63 LEU N N 15 122.792 0.000 . 1 . . . . 63 L N . 19576 2 218 . 1 1 64 64 ILE H H 1 8.739 0.002 . 1 . . . . 64 I HN . 19576 2 219 . 1 1 64 64 ILE CA C 13 60.358 0.000 . 1 . . . . 64 I CA . 19576 2 220 . 1 1 64 64 ILE CB C 13 40.758 0.005 . 1 . . . . 64 I CB . 19576 2 221 . 1 1 64 64 ILE N N 15 122.936 0.016 . 1 . . . . 64 I N . 19576 2 222 . 1 1 65 65 ILE H H 1 8.486 0.001 . 1 . . . . 65 I HN . 19576 2 223 . 1 1 65 65 ILE CA C 13 59.257 1.122 . 1 . . . . 65 I CA . 19576 2 224 . 1 1 65 65 ILE CB C 13 38.254 0.000 . 1 . . . . 65 I CB . 19576 2 225 . 1 1 65 65 ILE N N 15 127.897 0.017 . 1 . . . . 65 I N . 19576 2 226 . 1 1 66 66 PRO CA C 13 64.295 0.000 . 1 . . . . 66 P CA . 19576 2 227 . 1 1 66 66 PRO CB C 13 30.904 0.000 . 1 . . . . 66 P CB . 19576 2 228 . 1 1 67 67 GLY H H 1 8.577 0.001 . 1 . . . . 67 G HN . 19576 2 229 . 1 1 67 67 GLY CA C 13 45.090 0.009 . 1 . . . . 67 G CA . 19576 2 230 . 1 1 67 67 GLY N N 15 112.689 0.025 . 1 . . . . 67 G N . 19576 2 231 . 1 1 68 68 GLU H H 1 8.310 0.002 . 1 . . . . 68 E HN . 19576 2 232 . 1 1 68 68 GLU CA C 13 56.715 0.000 . 1 . . . . 68 E CA . 19576 2 233 . 1 1 68 68 GLU CB C 13 31.044 0.039 . 1 . . . . 68 E CB . 19576 2 234 . 1 1 68 68 GLU N N 15 118.752 0.008 . 1 . . . . 68 E N . 19576 2 235 . 1 1 69 69 GLN H H 1 8.036 0.002 . 1 . . . . 69 Q HN . 19576 2 236 . 1 1 69 69 GLN CA C 13 55.249 0.006 . 1 . . . . 69 Q CA . 19576 2 237 . 1 1 69 69 GLN CB C 13 32.208 0.013 . 1 . . . . 69 Q CB . 19576 2 238 . 1 1 69 69 GLN N N 15 116.928 0.017 . 1 . . . . 69 Q N . 19576 2 239 . 1 1 70 70 HIS H H 1 9.003 0.000 . 1 . . . . 70 H HN . 19576 2 240 . 1 1 70 70 HIS CA C 13 53.611 0.000 . 1 . . . . 70 H CA . 19576 2 241 . 1 1 70 70 HIS CB C 13 29.857 0.027 . 1 . . . . 70 H CB . 19576 2 242 . 1 1 70 70 HIS N N 15 122.913 0.054 . 1 . . . . 70 H N . 19576 2 243 . 1 1 71 71 PHE H H 1 9.212 0.003 . 1 . . . . 71 F HN . 19576 2 244 . 1 1 71 71 PHE CA C 13 54.407 0.000 . 1 . . . . 71 F CA . 19576 2 245 . 1 1 71 71 PHE CB C 13 40.269 0.010 . 1 . . . . 71 F CB . 19576 2 246 . 1 1 71 71 PHE N N 15 124.105 0.031 . 1 . . . . 71 F N . 19576 2 247 . 1 1 72 72 TYR H H 1 9.141 0.002 . 1 . . . . 72 Y HN . 19576 2 248 . 1 1 72 72 TYR CA C 13 56.694 0.024 . 1 . . . . 72 Y CA . 19576 2 249 . 1 1 72 72 TYR CB C 13 39.160 0.000 . 1 . . . . 72 Y CB . 19576 2 250 . 1 1 72 72 TYR N N 15 121.620 0.048 . 1 . . . . 72 Y N . 19576 2 251 . 1 1 73 73 MET H H 1 8.926 0.001 . 1 . . . . 73 M HN . 19576 2 252 . 1 1 73 73 MET CA C 13 54.627 0.000 . 1 . . . . 73 M CA . 19576 2 253 . 1 1 73 73 MET CB C 13 37.850 0.017 . 1 . . . . 73 M CB . 19576 2 254 . 1 1 73 73 MET N N 15 121.009 0.015 . 1 . . . . 73 M N . 19576 2 255 . 1 1 74 74 LYS H H 1 9.328 0.001 . 1 . . . . 74 K HN . 19576 2 256 . 1 1 74 74 LYS CA C 13 54.818 0.006 . 1 . . . . 74 K CA . 19576 2 257 . 1 1 74 74 LYS CB C 13 35.047 0.080 . 1 . . . . 74 K CB . 19576 2 258 . 1 1 74 74 LYS N N 15 120.648 0.018 . 1 . . . . 74 K N . 19576 2 259 . 1 1 75 75 ALA H H 1 8.673 0.000 . 1 . . . . 75 A HN . 19576 2 260 . 1 1 75 75 ALA CA C 13 49.511 0.005 . 1 . . . . 75 A CA . 19576 2 261 . 1 1 75 75 ALA CB C 13 20.343 0.002 . 1 . . . . 75 A CB . 19576 2 262 . 1 1 75 75 ALA N N 15 125.912 0.061 . 1 . . . . 75 A N . 19576 2 263 . 1 1 76 76 VAL H H 1 8.882 0.001 . 1 . . . . 76 V HN . 19576 2 264 . 1 1 76 76 VAL CA C 13 64.273 0.047 . 1 . . . . 76 V CA . 19576 2 265 . 1 1 76 76 VAL CB C 13 31.147 0.000 . 1 . . . . 76 V CB . 19576 2 266 . 1 1 76 76 VAL N N 15 114.814 0.015 . 1 . . . . 76 V N . 19576 2 267 . 1 1 77 77 ASN H H 1 7.210 0.002 . 1 . . . . 77 N HN . 19576 2 268 . 1 1 77 77 ASN CA C 13 51.731 0.018 . 1 . . . . 77 N CA . 19576 2 269 . 1 1 77 77 ASN CB C 13 39.011 0.003 . 1 . . . . 77 N CB . 19576 2 270 . 1 1 77 77 ASN N N 15 109.733 0.013 . 1 . . . . 77 N N . 19576 2 271 . 1 1 78 78 ALA H H 1 8.570 0.001 . 1 . . . . 78 A HN . 19576 2 272 . 1 1 78 78 ALA CA C 13 54.373 0.000 . 1 . . . . 78 A CA . 19576 2 273 . 1 1 78 78 ALA CB C 13 17.927 0.000 . 1 . . . . 78 A CB . 19576 2 274 . 1 1 78 78 ALA N N 15 121.999 0.021 . 1 . . . . 78 A N . 19576 2 275 . 1 1 79 79 ALA H H 1 8.292 0.002 . 1 . . . . 79 A HN . 19576 2 276 . 1 1 79 79 ALA CA C 13 54.654 0.050 . 1 . . . . 79 A CA . 19576 2 277 . 1 1 79 79 ALA CB C 13 16.822 0.058 . 1 . . . . 79 A CB . 19576 2 278 . 1 1 79 79 ALA N N 15 123.880 0.003 . 1 . . . . 79 A N . 19576 2 279 . 1 1 80 80 GLU H H 1 8.590 0.001 . 1 . . . . 80 E HN . 19576 2 280 . 1 1 80 80 GLU CA C 13 58.515 0.011 . 1 . . . . 80 E CA . 19576 2 281 . 1 1 80 80 GLU CB C 13 29.074 0.000 . 1 . . . . 80 E CB . 19576 2 282 . 1 1 80 80 GLU N N 15 120.132 0.024 . 1 . . . . 80 E N . 19576 2 283 . 1 1 81 81 ARG H H 1 7.869 0.002 . 1 . . . . 81 R HN . 19576 2 284 . 1 1 81 81 ARG CA C 13 60.579 0.019 . 1 . . . . 81 R CA . 19576 2 285 . 1 1 81 81 ARG CB C 13 28.819 0.014 . 1 . . . . 81 R CB . 19576 2 286 . 1 1 81 81 ARG N N 15 119.300 0.020 . 1 . . . . 81 R N . 19576 2 287 . 1 1 82 82 GLN H H 1 8.042 0.001 . 1 . . . . 82 Q HN . 19576 2 288 . 1 1 82 82 GLN CA C 13 58.568 0.000 . 1 . . . . 82 Q CA . 19576 2 289 . 1 1 82 82 GLN CB C 13 26.846 0.037 . 1 . . . . 82 Q CB . 19576 2 290 . 1 1 82 82 GLN N N 15 118.842 0.014 . 1 . . . . 82 Q N . 19576 2 291 . 1 1 83 83 ARG H H 1 7.647 0.001 . 1 . . . . 83 R HN . 19576 2 292 . 1 1 83 83 ARG CA C 13 59.397 0.000 . 1 . . . . 83 R CA . 19576 2 293 . 1 1 83 83 ARG CB C 13 29.557 0.000 . 1 . . . . 83 R CB . 19576 2 294 . 1 1 83 83 ARG N N 15 117.983 0.011 . 1 . . . . 83 R N . 19576 2 295 . 1 1 84 84 TRP H H 1 7.757 0.003 . 1 . . . . 84 W HN . 19576 2 296 . 1 1 84 84 TRP CA C 13 61.381 0.000 . 1 . . . . 84 W CA . 19576 2 297 . 1 1 84 84 TRP CB C 13 28.339 0.000 . 1 . . . . 84 W CB . 19576 2 298 . 1 1 84 84 TRP N N 15 119.504 0.007 . 1 . . . . 84 W N . 19576 2 299 . 1 1 85 85 LEU H H 1 8.972 0.001 . 1 . . . . 85 L HN . 19576 2 300 . 1 1 85 85 LEU CA C 13 58.239 0.041 . 1 . . . . 85 L CA . 19576 2 301 . 1 1 85 85 LEU CB C 13 40.349 0.076 . 1 . . . . 85 L CB . 19576 2 302 . 1 1 85 85 LEU N N 15 120.171 0.053 . 1 . . . . 85 L N . 19576 2 303 . 1 1 86 86 VAL H H 1 8.229 0.002 . 1 . . . . 86 V HN . 19576 2 304 . 1 1 86 86 VAL CA C 13 65.717 0.000 . 1 . . . . 86 V CA . 19576 2 305 . 1 1 86 86 VAL CB C 13 31.020 0.048 . 1 . . . . 86 V CB . 19576 2 306 . 1 1 86 86 VAL N N 15 120.182 0.056 . 1 . . . . 86 V N . 19576 2 307 . 1 1 87 87 ALA H H 1 7.221 0.001 . 1 . . . . 87 A HN . 19576 2 308 . 1 1 87 87 ALA CA C 13 54.705 0.000 . 1 . . . . 87 A CA . 19576 2 309 . 1 1 87 87 ALA CB C 13 17.971 0.000 . 1 . . . . 87 A CB . 19576 2 310 . 1 1 87 87 ALA N N 15 123.547 0.017 . 1 . . . . 87 A N . 19576 2 311 . 1 1 88 88 LEU H H 1 9.309 0.002 . 1 . . . . 88 L HN . 19576 2 312 . 1 1 88 88 LEU CA C 13 57.263 0.009 . 1 . . . . 88 L CA . 19576 2 313 . 1 1 88 88 LEU CB C 13 40.769 0.000 . 1 . . . . 88 L CB . 19576 2 314 . 1 1 88 88 LEU N N 15 119.100 0.025 . 1 . . . . 88 L N . 19576 2 315 . 1 1 89 89 GLY H H 1 8.254 0.004 . 1 . . . . 89 G HN . 19576 2 316 . 1 1 89 89 GLY CA C 13 46.231 0.005 . 1 . . . . 89 G CA . 19576 2 317 . 1 1 89 89 GLY N N 15 106.144 0.016 . 1 . . . . 89 G N . 19576 2 318 . 1 1 90 90 SER H H 1 7.930 0.002 . 1 . . . . 90 S HN . 19576 2 319 . 1 1 90 90 SER CA C 13 60.335 0.000 . 1 . . . . 90 S CA . 19576 2 320 . 1 1 90 90 SER CB C 13 62.554 0.000 . 1 . . . . 90 S CB . 19576 2 321 . 1 1 90 90 SER N N 15 116.926 0.006 . 1 . . . . 90 S N . 19576 2 322 . 1 1 91 91 SER H H 1 7.765 0.000 . 1 . . . . 91 S HN . 19576 2 323 . 1 1 91 91 SER CA C 13 60.237 0.007 . 1 . . . . 91 S CA . 19576 2 324 . 1 1 91 91 SER CB C 13 63.207 0.019 . 1 . . . . 91 S CB . 19576 2 325 . 1 1 91 91 SER N N 15 117.054 0.009 . 1 . . . . 91 S N . 19576 2 326 . 1 1 92 92 LYS H H 1 7.611 0.001 . 1 . . . . 92 K HN . 19576 2 327 . 1 1 92 92 LYS CA C 13 57.550 0.020 . 1 . . . . 92 K CA . 19576 2 328 . 1 1 92 92 LYS CB C 13 31.550 0.022 . 1 . . . . 92 K CB . 19576 2 329 . 1 1 92 92 LYS N N 15 120.066 0.055 . 1 . . . . 92 K N . 19576 2 330 . 1 1 93 93 ALA H H 1 7.714 0.001 . 1 . . . . 93 A HN . 19576 2 331 . 1 1 93 93 ALA CA C 13 52.561 0.024 . 1 . . . . 93 A CA . 19576 2 332 . 1 1 93 93 ALA CB C 13 18.263 0.006 . 1 . . . . 93 A CB . 19576 2 333 . 1 1 93 93 ALA N N 15 121.525 0.001 . 1 . . . . 93 A N . 19576 2 334 . 1 1 94 94 CYS H H 1 7.907 0.000 . 1 . . . . 94 C HN . 19576 2 335 . 1 1 94 94 CYS CA C 13 58.915 0.001 . 1 . . . . 94 C CA . 19576 2 336 . 1 1 94 94 CYS CB C 13 27.230 0.009 . 1 . . . . 94 C CB . 19576 2 337 . 1 1 94 94 CYS N N 15 117.361 0.023 . 1 . . . . 94 C N . 19576 2 338 . 1 1 95 95 LEU H H 1 8.154 0.000 . 1 . . . . 95 L HN . 19576 2 339 . 1 1 95 95 LEU CA C 13 55.108 0.004 . 1 . . . . 95 L CA . 19576 2 340 . 1 1 95 95 LEU CB C 13 41.401 0.011 . 1 . . . . 95 L CB . 19576 2 341 . 1 1 95 95 LEU N N 15 124.070 0.014 . 1 . . . . 95 L N . 19576 2 342 . 1 1 96 96 THR H H 1 7.979 0.000 . 1 . . . . 96 T HN . 19576 2 343 . 1 1 96 96 THR CA C 13 61.785 0.001 . 1 . . . . 96 T CA . 19576 2 344 . 1 1 96 96 THR CB C 13 69.208 0.001 . 1 . . . . 96 T CB . 19576 2 345 . 1 1 96 96 THR N N 15 114.113 0.017 . 1 . . . . 96 T N . 19576 2 346 . 1 1 97 97 ASP H H 1 8.227 0.001 . 1 . . . . 97 D HN . 19576 2 347 . 1 1 97 97 ASP CA C 13 54.241 0.000 . 1 . . . . 97 D CA . 19576 2 348 . 1 1 97 97 ASP CB C 13 40.598 0.000 . 1 . . . . 97 D CB . 19576 2 349 . 1 1 97 97 ASP N N 15 122.786 0.005 . 1 . . . . 97 D N . 19576 2 350 . 1 1 98 98 THR CA C 13 61.700 0.000 . 1 . . . . 98 S CA . 19576 2 351 . 1 1 98 98 THR CB C 13 69.108 0.000 . 1 . . . . 98 S CB . 19576 2 352 . 1 1 99 99 LEU H H 1 8.086 0.001 . 1 . . . . 99 L HN . 19576 2 353 . 1 1 99 99 LEU CA C 13 55.279 0.020 . 1 . . . . 99 L CA . 19576 2 354 . 1 1 99 99 LEU CB C 13 41.254 0.020 . 1 . . . . 99 L CB . 19576 2 355 . 1 1 99 99 LEU N N 15 123.441 0.019 . 1 . . . . 99 L N . 19576 2 356 . 1 1 100 100 GLU H H 1 8.117 0.002 . 1 . . . . 100 E HN . 19576 2 357 . 1 1 100 100 GLU CA C 13 56.243 0.033 . 1 . . . . 100 E CA . 19576 2 358 . 1 1 100 100 GLU CB C 13 29.240 0.000 . 1 . . . . 100 E CB . 19576 2 359 . 1 1 100 100 GLU N N 15 120.417 0.018 . 1 . . . . 100 E N . 19576 2 360 . 1 1 101 101 HIS H H 1 8.182 0.002 . 1 . . . . 101 H HN . 19576 2 361 . 1 1 101 101 HIS CA C 13 55.326 0.000 . 1 . . . . 101 H CA . 19576 2 362 . 1 1 101 101 HIS CB C 13 29.143 0.000 . 1 . . . . 101 H CB . 19576 2 363 . 1 1 101 101 HIS N N 15 119.249 0.026 . 1 . . . . 101 H N . 19576 2 stop_ save_