data_18820 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18820 _Entry.Title ; 1H, 13C and 15N assignments of the Apo-acyl carrier protein-1 of Pseudomonas aeruginosa. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-05 _Entry.Accession_date 2012-11-05 _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 Stuart Parnham . R. . 18820 2 Brendan Duggan . . . 18820 3 Amancio Roca . . . 18820 4 Yong-Mei Zhang . . . 18820 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Medical University of South Carolina' . 18820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 186 18820 '15N chemical shifts' 73 18820 '1H chemical shifts' 457 18820 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 . . 2014-02-17 2012-11-05 update BMRB 'update entry citation' 18820 1 . . 2012-12-04 2012-11-05 original author 'original release' 18820 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18819 ApoAcpP-3 18820 BMRB 18821 ApoAcpP 18820 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18820 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21152998 _Citation.Full_citation . _Citation.Title 'NMR assignments of the N-terminal domain of Nephila clavipes spidroin 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _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 131 _Citation.Page_last 133 _Citation.Year 2011 _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 Stuart Parnham . . . 18820 1 2 William Gaines . A. . 18820 1 3 Brendan Duggan . M. . 18820 1 4 William Marcotte . R. Jr. 18820 1 5 Mirko Hennig . . . 18820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18820 _Assembly.ID 1 _Assembly.Name ApoAcpP-1 _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 ApoAcpP-1 1 $ApoAcpP-1 A . yes native no no . . . 18820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ApoAcpP-1 _Entity.Sf_category entity _Entity.Sf_framecode ApoAcpP-1 _Entity.Entry_ID 18820 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ApoAcpP-1 _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 ; MDDIETRVRKLVAARFGVEE CDIRLDSDFRNDFGAESLEV VELVMALEAEFGVEIADDDA ERIETVRQAIDYLEEAVPT ; _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 79 _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 DBJ BAK89639 . "putative acyl carrier protein [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 2 no DBJ BAP23701 . "putative acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 3 no DBJ BAP51301 . "putative acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 4 no DBJ BAQ40472 . "putative acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 5 no DBJ BAR68359 . "acyl carrier protein 2 [Pseudomonas aeruginosa]" . . . . . 100.00 79 100.00 100.00 3.09e-45 . . . . 18820 1 6 no EMBL CAW28181 . "probable acyl carrier protein [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 79 100.00 100.00 3.09e-45 . . . . 18820 1 7 no EMBL CCQ87170 . "Acyl carrier protein [Pseudomonas aeruginosa 18A]" . . . . . 100.00 79 100.00 100.00 3.09e-45 . . . . 18820 1 8 no EMBL CDH71178 . "hypothetical protein P38_2921 [Pseudomonas aeruginosa MH38]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 9 no EMBL CDH77747 . "hypothetical protein PAMH27_3354 [Pseudomonas aeruginosa MH27]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 10 no EMBL CDI90080 . "putative acyl carrier protein [Pseudomonas aeruginosa PA38182]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 11 no GB AAC38778 . "AcpP-like protein [Pseudomonas aeruginosa]" . . . . . 100.00 79 100.00 100.00 3.09e-45 . . . . 18820 1 12 no GB AAG05258 . "probable acyl carrier protein [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 79 100.00 100.00 3.09e-45 . . . . 18820 1 13 no GB AAT50654 . "PA1869, partial [synthetic construct]" . . . . . 100.00 80 100.00 100.00 3.71e-45 . . . . 18820 1 14 no GB ABJ11059 . "putative acyl carrier protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 15 no GB AEO75655 . "putative acyl carrier protein [Pseudomonas aeruginosa M18]" . . . . . 100.00 79 98.73 98.73 1.12e-44 . . . . 18820 1 16 no REF NP_250560 . "acyl carrier protein [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 79 100.00 100.00 3.09e-45 . . . . 18820 1 17 no REF WP_003106681 . "MULTISPECIES: acyl carrier protein [Pseudomonas]" . . . . . 100.00 79 100.00 100.00 3.09e-45 . . . . 18820 1 18 no REF WP_003108704 . "acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 100.00 79 97.47 97.47 2.09e-43 . . . . 18820 1 19 no REF WP_003132735 . "MULTISPECIES: acyl carrier protein [Pseudomonas]" . . . . . 100.00 79 98.73 98.73 1.57e-44 . . . . 18820 1 20 no REF WP_009876275 . "MULTISPECIES: acyl carrier protein [Pseudomonas]" . . . . . 100.00 79 98.73 98.73 1.12e-44 . . . . 18820 1 21 no SP O52658 . "RecName: Full=Acyl carrier protein 2; Short=ACP 2" . . . . . 100.00 79 100.00 100.00 3.09e-45 . . . . 18820 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'acyl group carriers in bacterial fatty acid biosynthesis' 18820 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 . 18820 1 2 . ASP . 18820 1 3 . ASP . 18820 1 4 . ILE . 18820 1 5 . GLU . 18820 1 6 . THR . 18820 1 7 . ARG . 18820 1 8 . VAL . 18820 1 9 . ARG . 18820 1 10 . LYS . 18820 1 11 . LEU . 18820 1 12 . VAL . 18820 1 13 . ALA . 18820 1 14 . ALA . 18820 1 15 . ARG . 18820 1 16 . PHE . 18820 1 17 . GLY . 18820 1 18 . VAL . 18820 1 19 . GLU . 18820 1 20 . GLU . 18820 1 21 . CYS . 18820 1 22 . ASP . 18820 1 23 . ILE . 18820 1 24 . ARG . 18820 1 25 . LEU . 18820 1 26 . ASP . 18820 1 27 . SER . 18820 1 28 . ASP . 18820 1 29 . PHE . 18820 1 30 . ARG . 18820 1 31 . ASN . 18820 1 32 . ASP . 18820 1 33 . PHE . 18820 1 34 . GLY . 18820 1 35 . ALA . 18820 1 36 . GLU . 18820 1 37 . SER . 18820 1 38 . LEU . 18820 1 39 . GLU . 18820 1 40 . VAL . 18820 1 41 . VAL . 18820 1 42 . GLU . 18820 1 43 . LEU . 18820 1 44 . VAL . 18820 1 45 . MET . 18820 1 46 . ALA . 18820 1 47 . LEU . 18820 1 48 . GLU . 18820 1 49 . ALA . 18820 1 50 . GLU . 18820 1 51 . PHE . 18820 1 52 . GLY . 18820 1 53 . VAL . 18820 1 54 . GLU . 18820 1 55 . ILE . 18820 1 56 . ALA . 18820 1 57 . ASP . 18820 1 58 . ASP . 18820 1 59 . ASP . 18820 1 60 . ALA . 18820 1 61 . GLU . 18820 1 62 . ARG . 18820 1 63 . ILE . 18820 1 64 . GLU . 18820 1 65 . THR . 18820 1 66 . VAL . 18820 1 67 . ARG . 18820 1 68 . GLN . 18820 1 69 . ALA . 18820 1 70 . ILE . 18820 1 71 . ASP . 18820 1 72 . TYR . 18820 1 73 . LEU . 18820 1 74 . GLU . 18820 1 75 . GLU . 18820 1 76 . ALA . 18820 1 77 . VAL . 18820 1 78 . PRO . 18820 1 79 . THR . 18820 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 18820 1 . ASP 2 2 18820 1 . ASP 3 3 18820 1 . ILE 4 4 18820 1 . GLU 5 5 18820 1 . THR 6 6 18820 1 . ARG 7 7 18820 1 . VAL 8 8 18820 1 . ARG 9 9 18820 1 . LYS 10 10 18820 1 . LEU 11 11 18820 1 . VAL 12 12 18820 1 . ALA 13 13 18820 1 . ALA 14 14 18820 1 . ARG 15 15 18820 1 . PHE 16 16 18820 1 . GLY 17 17 18820 1 . VAL 18 18 18820 1 . GLU 19 19 18820 1 . GLU 20 20 18820 1 . CYS 21 21 18820 1 . ASP 22 22 18820 1 . ILE 23 23 18820 1 . ARG 24 24 18820 1 . LEU 25 25 18820 1 . ASP 26 26 18820 1 . SER 27 27 18820 1 . ASP 28 28 18820 1 . PHE 29 29 18820 1 . ARG 30 30 18820 1 . ASN 31 31 18820 1 . ASP 32 32 18820 1 . PHE 33 33 18820 1 . GLY 34 34 18820 1 . ALA 35 35 18820 1 . GLU 36 36 18820 1 . SER 37 37 18820 1 . LEU 38 38 18820 1 . GLU 39 39 18820 1 . VAL 40 40 18820 1 . VAL 41 41 18820 1 . GLU 42 42 18820 1 . LEU 43 43 18820 1 . VAL 44 44 18820 1 . MET 45 45 18820 1 . ALA 46 46 18820 1 . LEU 47 47 18820 1 . GLU 48 48 18820 1 . ALA 49 49 18820 1 . GLU 50 50 18820 1 . PHE 51 51 18820 1 . GLY 52 52 18820 1 . VAL 53 53 18820 1 . GLU 54 54 18820 1 . ILE 55 55 18820 1 . ALA 56 56 18820 1 . ASP 57 57 18820 1 . ASP 58 58 18820 1 . ASP 59 59 18820 1 . ALA 60 60 18820 1 . GLU 61 61 18820 1 . ARG 62 62 18820 1 . ILE 63 63 18820 1 . GLU 64 64 18820 1 . THR 65 65 18820 1 . VAL 66 66 18820 1 . ARG 67 67 18820 1 . GLN 68 68 18820 1 . ALA 69 69 18820 1 . ILE 70 70 18820 1 . ASP 71 71 18820 1 . TYR 72 72 18820 1 . LEU 73 73 18820 1 . GLU 74 74 18820 1 . GLU 75 75 18820 1 . ALA 76 76 18820 1 . VAL 77 77 18820 1 . PRO 78 78 18820 1 . THR 79 79 18820 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 18820 _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 $ApoAcpP-1 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 18820 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 18820 _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 $ApoAcpP-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET14b . . . . . . 18820 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-ApoAcpP-1 _Sample.Sf_category sample _Sample.Sf_framecode 15N-ApoAcpP-1 _Sample.Entry_ID 18820 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 ApoAcpP-1 '[U-99% 15N]' . . 1 $ApoAcpP-1 . . 1.0 . . mM . . . . 18820 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18820 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18820 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18820 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18820 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18820 1 stop_ save_ save_13C15N-ApoAcpP-1 _Sample.Sf_category sample _Sample.Sf_framecode 13C15N-ApoAcpP-1 _Sample.Entry_ID 18820 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 ApoAcpP-1 '[U-99% 13C; U-99% 15N]' . . 1 $ApoAcpP-1 . . 1.0 . . mM . . . . 18820 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18820 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18820 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18820 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18820 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18820 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 18820 _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' 70 . mM 18820 1 pH 7.0 . pH 18820 1 pressure 1 . atm 18820 1 temperature 298 . K 18820 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18820 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18820 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18820 1 processing 18820 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 18820 _Software.ID 2 _Software.Name CcpNMR _Software.Version 2.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18820 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18820 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_MUSC600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode MUSC600 _NMR_spectrometer.Entry_ID 18820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_MUSC850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode MUSC850 _NMR_spectrometer.Entry_ID 18820 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 18820 _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 MUSC600 Bruker Avance . 600 . . . 18820 1 2 MUSC850 Bruker Avance . 850 . . . 18820 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 18820 _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 $15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 5 '3D HNCACB' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 6 '3D HNCO' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18820 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 2 $MUSC850 . . . . . . . . . . . . . . . . 18820 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 2 $MUSC850 . . . . . . . . . . . . . . . . 18820 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $13C15N-ApoAcpP-1 isotropic . . 1 $sample_conditions_1 . . . 2 $MUSC850 . . . . . . . . . . . . . . . . 18820 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 18820 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18820 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18820 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18820 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 18820 1 2 '2D 1H-13C HSQC aliphatic' . . . 18820 1 3 '2D 1H-13C HSQC aromatic' . . . 18820 1 4 '3D CBCA(CO)NH' . . . 18820 1 5 '3D HNCACB' . . . 18820 1 6 '3D HNCO' . . . 18820 1 7 '3D HBHA(CO)NH' . . . 18820 1 8 '3D H(CCO)NH' . . . 18820 1 9 '3D HCCH-TOCSY' . . . 18820 1 10 '3D 1H-15N NOESY' . . . 18820 1 11 '3D 1H-13C NOESY aliphatic' . . . 18820 1 12 '3D 1H-13C NOESY aromatic' . . . 18820 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 ASP H H 1 8.261 0.03 . 1 . . . . 2 ASP H . 18820 1 2 . 1 1 2 2 ASP HA H 1 4.539 0.03 . 1 . . . . 2 ASP HA . 18820 1 3 . 1 1 2 2 ASP HB2 H 1 2.637 0.03 . 1 . . . . 2 ASP HB2 . 18820 1 4 . 1 1 2 2 ASP HB3 H 1 2.703 0.03 . 1 . . . . 2 ASP HB3 . 18820 1 5 . 1 1 2 2 ASP CA C 13 54.600 0.3 . 1 . . . . 2 ASP CA . 18820 1 6 . 1 1 2 2 ASP N N 15 120.863 0.3 . 1 . . . . 2 ASP N . 18820 1 7 . 1 1 3 3 ASP H H 1 8.217 0.001 . 1 . . . . 3 ASP H . 18820 1 8 . 1 1 3 3 ASP HA H 1 4.485 0.03 . 1 . . . . 3 ASP HA . 18820 1 9 . 1 1 3 3 ASP HB2 H 1 2.723 0.03 . 1 . . . . 3 ASP HB2 . 18820 1 10 . 1 1 3 3 ASP HB3 H 1 2.791 0.03 . 1 . . . . 3 ASP HB3 . 18820 1 11 . 1 1 3 3 ASP C C 13 176.840 0.3 . 1 . . . . 3 ASP C . 18820 1 12 . 1 1 3 3 ASP CA C 13 55.243 0.3 . 1 . . . . 3 ASP CA . 18820 1 13 . 1 1 3 3 ASP N N 15 120.099 0.004 . 1 . . . . 3 ASP N . 18820 1 14 . 1 1 4 4 ILE H H 1 7.994 0.005 . 1 . . . . 4 ILE H . 18820 1 15 . 1 1 4 4 ILE HA H 1 3.698 0.03 . 1 . . . . 4 ILE HA . 18820 1 16 . 1 1 4 4 ILE HB H 1 1.870 0.03 . 1 . . . . 4 ILE HB . 18820 1 17 . 1 1 4 4 ILE HG12 H 1 1.626 0.03 . 1 . . . . 4 ILE HG12 . 18820 1 18 . 1 1 4 4 ILE HG13 H 1 1.626 0.03 . 1 . . . . 4 ILE HG13 . 18820 1 19 . 1 1 4 4 ILE HG21 H 1 0.884 0.03 . 1 . . . . 4 ILE HG21 . 18820 1 20 . 1 1 4 4 ILE HG22 H 1 0.884 0.03 . 1 . . . . 4 ILE HG22 . 18820 1 21 . 1 1 4 4 ILE HG23 H 1 0.884 0.03 . 1 . . . . 4 ILE HG23 . 18820 1 22 . 1 1 4 4 ILE HD11 H 1 0.663 0.016 . 1 . . . . 4 ILE HD11 . 18820 1 23 . 1 1 4 4 ILE HD12 H 1 0.663 0.016 . 1 . . . . 4 ILE HD12 . 18820 1 24 . 1 1 4 4 ILE HD13 H 1 0.663 0.016 . 1 . . . . 4 ILE HD13 . 18820 1 25 . 1 1 4 4 ILE C C 13 177.418 0.3 . 1 . . . . 4 ILE C . 18820 1 26 . 1 1 4 4 ILE CA C 13 66.007 0.3 . 1 . . . . 4 ILE CA . 18820 1 27 . 1 1 4 4 ILE CD1 C 13 12.990 0.3 . 1 . . . . 4 ILE CD1 . 18820 1 28 . 1 1 4 4 ILE N N 15 119.232 0.012 . 1 . . . . 4 ILE N . 18820 1 29 . 1 1 5 5 GLU H H 1 8.617 0.004 . 1 . . . . 5 GLU H . 18820 1 30 . 1 1 5 5 GLU HA H 1 3.625 0.03 . 1 . . . . 5 GLU HA . 18820 1 31 . 1 1 5 5 GLU HB2 H 1 1.976 0.03 . 1 . . . . 5 GLU HB2 . 18820 1 32 . 1 1 5 5 GLU HB3 H 1 1.976 0.03 . 1 . . . . 5 GLU HB3 . 18820 1 33 . 1 1 5 5 GLU HG2 H 1 2.108 0.03 . 1 . . . . 5 GLU HG2 . 18820 1 34 . 1 1 5 5 GLU HG3 H 1 2.108 0.03 . 1 . . . . 5 GLU HG3 . 18820 1 35 . 1 1 5 5 GLU C C 13 178.087 0.3 . 1 . . . . 5 GLU C . 18820 1 36 . 1 1 5 5 GLU CA C 13 60.546 0.3 . 1 . . . . 5 GLU CA . 18820 1 37 . 1 1 5 5 GLU N N 15 119.611 0.003 . 1 . . . . 5 GLU N . 18820 1 38 . 1 1 6 6 THR H H 1 8.134 0.003 . 1 . . . . 6 THR H . 18820 1 39 . 1 1 6 6 THR HG21 H 1 1.165 0.03 . 1 . . . . 6 THR HG21 . 18820 1 40 . 1 1 6 6 THR HG22 H 1 1.165 0.03 . 1 . . . . 6 THR HG22 . 18820 1 41 . 1 1 6 6 THR HG23 H 1 1.165 0.03 . 1 . . . . 6 THR HG23 . 18820 1 42 . 1 1 6 6 THR C C 13 176.497 0.3 . 1 . . . . 6 THR C . 18820 1 43 . 1 1 6 6 THR N N 15 115.021 0.008 . 1 . . . . 6 THR N . 18820 1 44 . 1 1 7 7 ARG H H 1 8.014 0.002 . 1 . . . . 7 ARG H . 18820 1 45 . 1 1 7 7 ARG HA H 1 3.910 0.03 . 1 . . . . 7 ARG HA . 18820 1 46 . 1 1 7 7 ARG HB2 H 1 1.858 0.03 . 1 . . . . 7 ARG HB2 . 18820 1 47 . 1 1 7 7 ARG HB3 H 1 2.014 0.03 . 1 . . . . 7 ARG HB3 . 18820 1 48 . 1 1 7 7 ARG HG2 H 1 1.609 0.012 . 1 . . . . 7 ARG HG2 . 18820 1 49 . 1 1 7 7 ARG HG3 H 1 1.621 0.03 . 1 . . . . 7 ARG HG3 . 18820 1 50 . 1 1 7 7 ARG HD2 H 1 2.977 0.03 . 1 . . . . 7 ARG HD2 . 18820 1 51 . 1 1 7 7 ARG HD3 H 1 2.977 0.03 . 1 . . . . 7 ARG HD3 . 18820 1 52 . 1 1 7 7 ARG C C 13 179.530 0.3 . 1 . . . . 7 ARG C . 18820 1 53 . 1 1 7 7 ARG CA C 13 59.869 0.3 . 1 . . . . 7 ARG CA . 18820 1 54 . 1 1 7 7 ARG CG C 13 27.395 0.3 . 1 . . . . 7 ARG CG . 18820 1 55 . 1 1 7 7 ARG N N 15 120.492 0.022 . 1 . . . . 7 ARG N . 18820 1 56 . 1 1 8 8 VAL H H 1 8.929 0.003 . 1 . . . . 8 VAL H . 18820 1 57 . 1 1 8 8 VAL HA H 1 3.564 0.03 . 1 . . . . 8 VAL HA . 18820 1 58 . 1 1 8 8 VAL HB H 1 2.099 0.03 . 1 . . . . 8 VAL HB . 18820 1 59 . 1 1 8 8 VAL HG11 H 1 0.877 0.010 . 1 . . . . 8 VAL HG11 . 18820 1 60 . 1 1 8 8 VAL HG12 H 1 0.877 0.010 . 1 . . . . 8 VAL HG12 . 18820 1 61 . 1 1 8 8 VAL HG13 H 1 0.877 0.010 . 1 . . . . 8 VAL HG13 . 18820 1 62 . 1 1 8 8 VAL HG21 H 1 0.965 0.002 . 1 . . . . 8 VAL HG21 . 18820 1 63 . 1 1 8 8 VAL HG22 H 1 0.965 0.002 . 1 . . . . 8 VAL HG22 . 18820 1 64 . 1 1 8 8 VAL HG23 H 1 0.965 0.002 . 1 . . . . 8 VAL HG23 . 18820 1 65 . 1 1 8 8 VAL C C 13 177.502 0.3 . 1 . . . . 8 VAL C . 18820 1 66 . 1 1 8 8 VAL CA C 13 67.806 0.3 . 1 . . . . 8 VAL CA . 18820 1 67 . 1 1 8 8 VAL CG1 C 13 21.612 0.3 . 1 . . . . 8 VAL CG1 . 18820 1 68 . 1 1 8 8 VAL CG2 C 13 25.113 0.3 . 1 . . . . 8 VAL CG2 . 18820 1 69 . 1 1 8 8 VAL N N 15 119.732 0.015 . 1 . . . . 8 VAL N . 18820 1 70 . 1 1 9 9 ARG H H 1 8.543 0.003 . 1 . . . . 9 ARG H . 18820 1 71 . 1 1 9 9 ARG HA H 1 3.640 0.03 . 1 . . . . 9 ARG HA . 18820 1 72 . 1 1 9 9 ARG HB2 H 1 1.837 0.03 . 1 . . . . 9 ARG HB2 . 18820 1 73 . 1 1 9 9 ARG HB3 H 1 1.914 0.03 . 1 . . . . 9 ARG HB3 . 18820 1 74 . 1 1 9 9 ARG HG2 H 1 1.387 0.03 . 1 . . . . 9 ARG HG2 . 18820 1 75 . 1 1 9 9 ARG HG3 H 1 1.387 0.03 . 1 . . . . 9 ARG HG3 . 18820 1 76 . 1 1 9 9 ARG HD2 H 1 3.185 0.004 . 1 . . . . 9 ARG HD2 . 18820 1 77 . 1 1 9 9 ARG HD3 H 1 3.185 0.004 . 1 . . . . 9 ARG HD3 . 18820 1 78 . 1 1 9 9 ARG C C 13 177.873 0.3 . 1 . . . . 9 ARG C . 18820 1 79 . 1 1 9 9 ARG CA C 13 61.362 0.3 . 1 . . . . 9 ARG CA . 18820 1 80 . 1 1 9 9 ARG CB C 13 30.095 0.012 . 1 . . . . 9 ARG CB . 18820 1 81 . 1 1 9 9 ARG CD C 13 43.537 0.3 . 1 . . . . 9 ARG CD . 18820 1 82 . 1 1 9 9 ARG N N 15 118.632 0.004 . 1 . . . . 9 ARG N . 18820 1 83 . 1 1 10 10 LYS H H 1 7.872 0.001 . 1 . . . . 10 LYS H . 18820 1 84 . 1 1 10 10 LYS HA H 1 3.824 0.03 . 1 . . . . 10 LYS HA . 18820 1 85 . 1 1 10 10 LYS HB2 H 1 1.779 0.03 . 1 . . . . 10 LYS HB2 . 18820 1 86 . 1 1 10 10 LYS HB3 H 1 1.832 0.03 . 1 . . . . 10 LYS HB3 . 18820 1 87 . 1 1 10 10 LYS HG2 H 1 1.367 0.03 . 1 . . . . 10 LYS HG2 . 18820 1 88 . 1 1 10 10 LYS HG3 H 1 1.367 0.03 . 1 . . . . 10 LYS HG3 . 18820 1 89 . 1 1 10 10 LYS HD2 H 1 1.547 0.03 . 1 . . . . 10 LYS HD2 . 18820 1 90 . 1 1 10 10 LYS HD3 H 1 1.547 0.03 . 1 . . . . 10 LYS HD3 . 18820 1 91 . 1 1 10 10 LYS HE2 H 1 2.851 0.03 . 1 . . . . 10 LYS HE2 . 18820 1 92 . 1 1 10 10 LYS HE3 H 1 2.851 0.03 . 1 . . . . 10 LYS HE3 . 18820 1 93 . 1 1 10 10 LYS C C 13 179.354 0.3 . 1 . . . . 10 LYS C . 18820 1 94 . 1 1 10 10 LYS CA C 13 59.943 0.3 . 1 . . . . 10 LYS CA . 18820 1 95 . 1 1 10 10 LYS N N 15 116.357 0.001 . 1 . . . . 10 LYS N . 18820 1 96 . 1 1 11 11 LEU H H 1 7.660 0.002 . 1 . . . . 11 LEU H . 18820 1 97 . 1 1 11 11 LEU HA H 1 4.037 0.03 . 1 . . . . 11 LEU HA . 18820 1 98 . 1 1 11 11 LEU HB3 H 1 1.804 0.03 . 1 . . . . 11 LEU HB3 . 18820 1 99 . 1 1 11 11 LEU HD11 H 1 0.770 0.03 . 1 . . . . 11 LEU HD11 . 18820 1 100 . 1 1 11 11 LEU HD12 H 1 0.770 0.03 . 1 . . . . 11 LEU HD12 . 18820 1 101 . 1 1 11 11 LEU HD13 H 1 0.770 0.03 . 1 . . . . 11 LEU HD13 . 18820 1 102 . 1 1 11 11 LEU C C 13 176.719 0.3 . 1 . . . . 11 LEU C . 18820 1 103 . 1 1 11 11 LEU CA C 13 58.260 0.3 . 1 . . . . 11 LEU CA . 18820 1 104 . 1 1 11 11 LEU CD1 C 13 25.756 0.3 . 1 . . . . 11 LEU CD1 . 18820 1 105 . 1 1 11 11 LEU N N 15 121.320 0.008 . 1 . . . . 11 LEU N . 18820 1 106 . 1 1 12 12 VAL H H 1 8.572 0.002 . 1 . . . . 12 VAL H . 18820 1 107 . 1 1 12 12 VAL HA H 1 3.280 0.03 . 1 . . . . 12 VAL HA . 18820 1 108 . 1 1 12 12 VAL HB H 1 2.190 0.03 . 1 . . . . 12 VAL HB . 18820 1 109 . 1 1 12 12 VAL C C 13 176.958 0.3 . 1 . . . . 12 VAL C . 18820 1 110 . 1 1 12 12 VAL CA C 13 66.887 0.3 . 1 . . . . 12 VAL CA . 18820 1 111 . 1 1 12 12 VAL N N 15 120.228 0.008 . 1 . . . . 12 VAL N . 18820 1 112 . 1 1 13 13 ALA H H 1 8.182 0.002 . 1 . . . . 13 ALA H . 18820 1 113 . 1 1 13 13 ALA HA H 1 3.859 0.03 . 1 . . . . 13 ALA HA . 18820 1 114 . 1 1 13 13 ALA HB1 H 1 1.396 0.03 . 1 . . . . 13 ALA HB1 . 18820 1 115 . 1 1 13 13 ALA HB2 H 1 1.396 0.03 . 1 . . . . 13 ALA HB2 . 18820 1 116 . 1 1 13 13 ALA HB3 H 1 1.396 0.03 . 1 . . . . 13 ALA HB3 . 18820 1 117 . 1 1 13 13 ALA C C 13 179.746 0.3 . 1 . . . . 13 ALA C . 18820 1 118 . 1 1 13 13 ALA CA C 13 55.495 0.3 . 1 . . . . 13 ALA CA . 18820 1 119 . 1 1 13 13 ALA N N 15 121.430 0.001 . 1 . . . . 13 ALA N . 18820 1 120 . 1 1 14 14 ALA H H 1 7.465 0.002 . 1 . . . . 14 ALA H . 18820 1 121 . 1 1 14 14 ALA HA H 1 4.044 0.03 . 1 . . . . 14 ALA HA . 18820 1 122 . 1 1 14 14 ALA HB1 H 1 1.388 0.03 . 1 . . . . 14 ALA HB1 . 18820 1 123 . 1 1 14 14 ALA HB2 H 1 1.388 0.03 . 1 . . . . 14 ALA HB2 . 18820 1 124 . 1 1 14 14 ALA HB3 H 1 1.388 0.03 . 1 . . . . 14 ALA HB3 . 18820 1 125 . 1 1 14 14 ALA C C 13 180.367 0.3 . 1 . . . . 14 ALA C . 18820 1 126 . 1 1 14 14 ALA CA C 13 54.208 0.3 . 1 . . . . 14 ALA CA . 18820 1 127 . 1 1 14 14 ALA N N 15 117.124 0.018 . 1 . . . . 14 ALA N . 18820 1 128 . 1 1 15 15 ARG H H 1 7.913 0.004 . 1 . . . . 15 ARG H . 18820 1 129 . 1 1 15 15 ARG HA H 1 3.867 0.03 . 1 . . . . 15 ARG HA . 18820 1 130 . 1 1 15 15 ARG HB2 H 1 1.196 0.03 . 1 . . . . 15 ARG HB2 . 18820 1 131 . 1 1 15 15 ARG HB3 H 1 1.360 0.03 . 1 . . . . 15 ARG HB3 . 18820 1 132 . 1 1 15 15 ARG HG2 H 1 1.104 0.03 . 1 . . . . 15 ARG HG2 . 18820 1 133 . 1 1 15 15 ARG HG3 H 1 1.104 0.03 . 1 . . . . 15 ARG HG3 . 18820 1 134 . 1 1 15 15 ARG HD2 H 1 2.896 0.03 . 1 . . . . 15 ARG HD2 . 18820 1 135 . 1 1 15 15 ARG HD3 H 1 2.896 0.03 . 1 . . . . 15 ARG HD3 . 18820 1 136 . 1 1 15 15 ARG C C 13 177.887 0.3 . 1 . . . . 15 ARG C . 18820 1 137 . 1 1 15 15 ARG CA C 13 57.476 0.3 . 1 . . . . 15 ARG CA . 18820 1 138 . 1 1 15 15 ARG N N 15 116.398 0.007 . 1 . . . . 15 ARG N . 18820 1 139 . 1 1 16 16 PHE H H 1 7.744 0.001 . 1 . . . . 16 PHE H . 18820 1 140 . 1 1 16 16 PHE HA H 1 4.800 0.006 . 1 . . . . 16 PHE HA . 18820 1 141 . 1 1 16 16 PHE HB2 H 1 2.305 0.007 . 1 . . . . 16 PHE HB2 . 18820 1 142 . 1 1 16 16 PHE HB3 H 1 3.281 0.004 . 1 . . . . 16 PHE HB3 . 18820 1 143 . 1 1 16 16 PHE HD1 H 1 7.249 0.004 . 3 . . . . 16 PHE HD1 . 18820 1 144 . 1 1 16 16 PHE HD2 H 1 7.249 0.004 . 3 . . . . 16 PHE HD2 . 18820 1 145 . 1 1 16 16 PHE HE1 H 1 6.978 0.002 . 3 . . . . 16 PHE HE1 . 18820 1 146 . 1 1 16 16 PHE HE2 H 1 6.978 0.002 . 3 . . . . 16 PHE HE2 . 18820 1 147 . 1 1 16 16 PHE HZ H 1 6.650 0.003 . 1 . . . . 16 PHE HZ . 18820 1 148 . 1 1 16 16 PHE C C 13 175.630 0.3 . 1 . . . . 16 PHE C . 18820 1 149 . 1 1 16 16 PHE CA C 13 57.430 0.3 . 1 . . . . 16 PHE CA . 18820 1 150 . 1 1 16 16 PHE CD1 C 13 129.877 0.030 . 3 . . . . 16 PHE CD1 . 18820 1 151 . 1 1 16 16 PHE CD2 C 13 129.877 0.030 . 3 . . . . 16 PHE CD2 . 18820 1 152 . 1 1 16 16 PHE CE1 C 13 128.202 0.029 . 3 . . . . 16 PHE CE1 . 18820 1 153 . 1 1 16 16 PHE CE2 C 13 128.202 0.029 . 3 . . . . 16 PHE CE2 . 18820 1 154 . 1 1 16 16 PHE CZ C 13 125.828 0.078 . 1 . . . . 16 PHE CZ . 18820 1 155 . 1 1 16 16 PHE N N 15 113.171 0.014 . 1 . . . . 16 PHE N . 18820 1 156 . 1 1 17 17 GLY H H 1 7.725 0.001 . 1 . . . . 17 GLY H . 18820 1 157 . 1 1 17 17 GLY HA2 H 1 3.827 0.03 . 1 . . . . 17 GLY HA2 . 18820 1 158 . 1 1 17 17 GLY HA3 H 1 3.879 0.03 . 1 . . . . 17 GLY HA3 . 18820 1 159 . 1 1 17 17 GLY C C 13 174.503 0.3 . 1 . . . . 17 GLY C . 18820 1 160 . 1 1 17 17 GLY CA C 13 47.320 0.3 . 1 . . . . 17 GLY CA . 18820 1 161 . 1 1 17 17 GLY N N 15 110.398 0.018 . 1 . . . . 17 GLY N . 18820 1 162 . 1 1 18 18 VAL H H 1 7.347 0.005 . 1 . . . . 18 VAL H . 18820 1 163 . 1 1 18 18 VAL HA H 1 4.457 0.009 . 1 . . . . 18 VAL HA . 18820 1 164 . 1 1 18 18 VAL HB H 1 1.987 0.03 . 1 . . . . 18 VAL HB . 18820 1 165 . 1 1 18 18 VAL HG11 H 1 0.447 0.03 . 1 . . . . 18 VAL HG11 . 18820 1 166 . 1 1 18 18 VAL HG12 H 1 0.447 0.03 . 1 . . . . 18 VAL HG12 . 18820 1 167 . 1 1 18 18 VAL HG13 H 1 0.447 0.03 . 1 . . . . 18 VAL HG13 . 18820 1 168 . 1 1 18 18 VAL HG21 H 1 0.744 0.03 . 1 . . . . 18 VAL HG21 . 18820 1 169 . 1 1 18 18 VAL HG22 H 1 0.744 0.03 . 1 . . . . 18 VAL HG22 . 18820 1 170 . 1 1 18 18 VAL HG23 H 1 0.744 0.03 . 1 . . . . 18 VAL HG23 . 18820 1 171 . 1 1 18 18 VAL C C 13 174.777 0.3 . 1 . . . . 18 VAL C . 18820 1 172 . 1 1 18 18 VAL CA C 13 58.875 0.015 . 1 . . . . 18 VAL CA . 18820 1 173 . 1 1 18 18 VAL N N 15 113.884 0.002 . 1 . . . . 18 VAL N . 18820 1 174 . 1 1 19 19 GLU H H 1 8.599 0.002 . 1 . . . . 19 GLU H . 18820 1 175 . 1 1 19 19 GLU HA H 1 4.196 0.008 . 1 . . . . 19 GLU HA . 18820 1 176 . 1 1 19 19 GLU HB2 H 1 1.866 0.03 . 1 . . . . 19 GLU HB2 . 18820 1 177 . 1 1 19 19 GLU HB3 H 1 2.171 0.03 . 1 . . . . 19 GLU HB3 . 18820 1 178 . 1 1 19 19 GLU HG2 H 1 2.234 0.03 . 1 . . . . 19 GLU HG2 . 18820 1 179 . 1 1 19 19 GLU HG3 H 1 2.333 0.03 . 1 . . . . 19 GLU HG3 . 18820 1 180 . 1 1 19 19 GLU C C 13 178.785 0.3 . 1 . . . . 19 GLU C . 18820 1 181 . 1 1 19 19 GLU CA C 13 56.198 0.127 . 1 . . . . 19 GLU CA . 18820 1 182 . 1 1 19 19 GLU N N 15 121.545 0.006 . 1 . . . . 19 GLU N . 18820 1 183 . 1 1 20 20 GLU H H 1 8.919 0.002 . 1 . . . . 20 GLU H . 18820 1 184 . 1 1 20 20 GLU HA H 1 3.669 0.03 . 1 . . . . 20 GLU HA . 18820 1 185 . 1 1 20 20 GLU HB2 H 1 1.933 0.03 . 1 . . . . 20 GLU HB2 . 18820 1 186 . 1 1 20 20 GLU HG2 H 1 2.223 0.016 . 1 . . . . 20 GLU HG2 . 18820 1 187 . 1 1 20 20 GLU HG3 H 1 2.223 0.016 . 1 . . . . 20 GLU HG3 . 18820 1 188 . 1 1 20 20 GLU C C 13 178.798 0.3 . 1 . . . . 20 GLU C . 18820 1 189 . 1 1 20 20 GLU CA C 13 60.626 0.3 . 1 . . . . 20 GLU CA . 18820 1 190 . 1 1 20 20 GLU CG C 13 37.160 0.3 . 1 . . . . 20 GLU CG . 18820 1 191 . 1 1 20 20 GLU N N 15 122.603 0.003 . 1 . . . . 20 GLU N . 18820 1 192 . 1 1 21 21 CYS H H 1 8.203 0.002 . 1 . . . . 21 CYS H . 18820 1 193 . 1 1 21 21 CYS HA H 1 4.336 0.03 . 1 . . . . 21 CYS HA . 18820 1 194 . 1 1 21 21 CYS HB2 H 1 2.742 0.03 . 1 . . . . 21 CYS HB2 . 18820 1 195 . 1 1 21 21 CYS HB3 H 1 3.144 0.03 . 1 . . . . 21 CYS HB3 . 18820 1 196 . 1 1 21 21 CYS C C 13 174.616 0.3 . 1 . . . . 21 CYS C . 18820 1 197 . 1 1 21 21 CYS CA C 13 58.762 0.3 . 1 . . . . 21 CYS CA . 18820 1 198 . 1 1 21 21 CYS N N 15 113.332 0.004 . 1 . . . . 21 CYS N . 18820 1 199 . 1 1 22 22 ASP H H 1 7.740 0.002 . 1 . . . . 22 ASP H . 18820 1 200 . 1 1 22 22 ASP HA H 1 4.715 0.03 . 1 . . . . 22 ASP HA . 18820 1 201 . 1 1 22 22 ASP HB2 H 1 2.697 0.03 . 1 . . . . 22 ASP HB2 . 18820 1 202 . 1 1 22 22 ASP HB3 H 1 2.829 0.03 . 1 . . . . 22 ASP HB3 . 18820 1 203 . 1 1 22 22 ASP C C 13 175.602 0.3 . 1 . . . . 22 ASP C . 18820 1 204 . 1 1 22 22 ASP CA C 13 57.318 0.3 . 1 . . . . 22 ASP CA . 18820 1 205 . 1 1 22 22 ASP N N 15 121.863 0.002 . 1 . . . . 22 ASP N . 18820 1 206 . 1 1 23 23 ILE H H 1 7.256 0.002 . 1 . . . . 23 ILE H . 18820 1 207 . 1 1 23 23 ILE HA H 1 3.969 0.03 . 1 . . . . 23 ILE HA . 18820 1 208 . 1 1 23 23 ILE HB H 1 1.915 0.03 . 1 . . . . 23 ILE HB . 18820 1 209 . 1 1 23 23 ILE HG12 H 1 1.700 0.03 . 1 . . . . 23 ILE HG12 . 18820 1 210 . 1 1 23 23 ILE HG21 H 1 0.896 0.03 . 1 . . . . 23 ILE HG21 . 18820 1 211 . 1 1 23 23 ILE HG22 H 1 0.896 0.03 . 1 . . . . 23 ILE HG22 . 18820 1 212 . 1 1 23 23 ILE HG23 H 1 0.896 0.03 . 1 . . . . 23 ILE HG23 . 18820 1 213 . 1 1 23 23 ILE HD11 H 1 0.722 0.03 . 1 . . . . 23 ILE HD11 . 18820 1 214 . 1 1 23 23 ILE HD12 H 1 0.722 0.03 . 1 . . . . 23 ILE HD12 . 18820 1 215 . 1 1 23 23 ILE HD13 H 1 0.722 0.03 . 1 . . . . 23 ILE HD13 . 18820 1 216 . 1 1 23 23 ILE C C 13 175.052 0.3 . 1 . . . . 23 ILE C . 18820 1 217 . 1 1 23 23 ILE CA C 13 61.639 0.3 . 1 . . . . 23 ILE CA . 18820 1 218 . 1 1 23 23 ILE N N 15 120.198 0.3 . 1 . . . . 23 ILE N . 18820 1 219 . 1 1 24 24 ARG H H 1 8.819 0.003 . 1 . . . . 24 ARG H . 18820 1 220 . 1 1 24 24 ARG HA H 1 4.688 0.011 . 1 . . . . 24 ARG HA . 18820 1 221 . 1 1 24 24 ARG HB2 H 1 1.745 0.03 . 1 . . . . 24 ARG HB2 . 18820 1 222 . 1 1 24 24 ARG HB3 H 1 1.905 0.03 . 1 . . . . 24 ARG HB3 . 18820 1 223 . 1 1 24 24 ARG HG2 H 1 1.519 0.010 . 1 . . . . 24 ARG HG2 . 18820 1 224 . 1 1 24 24 ARG HG3 H 1 1.519 0.010 . 1 . . . . 24 ARG HG3 . 18820 1 225 . 1 1 24 24 ARG HD2 H 1 3.154 0.03 . 1 . . . . 24 ARG HD2 . 18820 1 226 . 1 1 24 24 ARG HD3 H 1 3.154 0.03 . 1 . . . . 24 ARG HD3 . 18820 1 227 . 1 1 24 24 ARG C C 13 177.214 0.3 . 1 . . . . 24 ARG C . 18820 1 228 . 1 1 24 24 ARG CA C 13 53.531 0.031 . 1 . . . . 24 ARG CA . 18820 1 229 . 1 1 24 24 ARG CG C 13 27.066 0.3 . 1 . . . . 24 ARG CG . 18820 1 230 . 1 1 25 25 LEU H H 1 8.734 0.001 . 1 . . . . 25 LEU H . 18820 1 231 . 1 1 25 25 LEU HA H 1 3.803 0.03 . 1 . . . . 25 LEU HA . 18820 1 232 . 1 1 25 25 LEU HB3 H 1 1.707 0.03 . 1 . . . . 25 LEU HB3 . 18820 1 233 . 1 1 25 25 LEU HD11 H 1 0.671 0.03 . 1 . . . . 25 LEU HD11 . 18820 1 234 . 1 1 25 25 LEU HD12 H 1 0.671 0.03 . 1 . . . . 25 LEU HD12 . 18820 1 235 . 1 1 25 25 LEU HD13 H 1 0.671 0.03 . 1 . . . . 25 LEU HD13 . 18820 1 236 . 1 1 25 25 LEU HD21 H 1 0.835 0.03 . 1 . . . . 25 LEU HD21 . 18820 1 237 . 1 1 25 25 LEU HD22 H 1 0.835 0.03 . 1 . . . . 25 LEU HD22 . 18820 1 238 . 1 1 25 25 LEU HD23 H 1 0.835 0.03 . 1 . . . . 25 LEU HD23 . 18820 1 239 . 1 1 25 25 LEU C C 13 176.835 0.3 . 1 . . . . 25 LEU C . 18820 1 240 . 1 1 25 25 LEU CA C 13 58.052 0.3 . 1 . . . . 25 LEU CA . 18820 1 241 . 1 1 25 25 LEU N N 15 121.724 0.002 . 1 . . . . 25 LEU N . 18820 1 242 . 1 1 26 26 ASP H H 1 7.747 0.002 . 1 . . . . 26 ASP H . 18820 1 243 . 1 1 26 26 ASP HA H 1 4.673 0.03 . 1 . . . . 26 ASP HA . 18820 1 244 . 1 1 26 26 ASP HB2 H 1 2.466 0.03 . 1 . . . . 26 ASP HB2 . 18820 1 245 . 1 1 26 26 ASP HB3 H 1 2.686 0.03 . 1 . . . . 26 ASP HB3 . 18820 1 246 . 1 1 26 26 ASP C C 13 175.843 0.3 . 1 . . . . 26 ASP C . 18820 1 247 . 1 1 26 26 ASP CA C 13 53.284 0.3 . 1 . . . . 26 ASP CA . 18820 1 248 . 1 1 26 26 ASP N N 15 111.104 0.008 . 1 . . . . 26 ASP N . 18820 1 249 . 1 1 27 27 SER H H 1 7.463 0.001 . 1 . . . . 27 SER H . 18820 1 250 . 1 1 27 27 SER HA H 1 3.917 0.03 . 1 . . . . 27 SER HA . 18820 1 251 . 1 1 27 27 SER HB2 H 1 3.355 0.03 . 1 . . . . 27 SER HB2 . 18820 1 252 . 1 1 27 27 SER HB3 H 1 3.733 0.03 . 1 . . . . 27 SER HB3 . 18820 1 253 . 1 1 27 27 SER C C 13 181.269 0.3 . 1 . . . . 27 SER C . 18820 1 254 . 1 1 27 27 SER CA C 13 61.505 0.3 . 1 . . . . 27 SER CA . 18820 1 255 . 1 1 27 27 SER N N 15 117.702 0.001 . 1 . . . . 27 SER N . 18820 1 256 . 1 1 28 28 ASP H H 1 9.134 0.004 . 1 . . . . 28 ASP H . 18820 1 257 . 1 1 28 28 ASP HA H 1 4.580 0.03 . 1 . . . . 28 ASP HA . 18820 1 258 . 1 1 28 28 ASP HB2 H 1 2.196 0.03 . 1 . . . . 28 ASP HB2 . 18820 1 259 . 1 1 28 28 ASP HB3 H 1 2.496 0.03 . 1 . . . . 28 ASP HB3 . 18820 1 260 . 1 1 28 28 ASP C C 13 176.971 0.3 . 1 . . . . 28 ASP C . 18820 1 261 . 1 1 28 28 ASP CA C 13 51.992 0.3 . 1 . . . . 28 ASP CA . 18820 1 262 . 1 1 28 28 ASP N N 15 126.509 0.003 . 1 . . . . 28 ASP N . 18820 1 263 . 1 1 29 29 PHE H H 1 7.523 0.001 . 1 . . . . 29 PHE H . 18820 1 264 . 1 1 29 29 PHE HA H 1 4.026 0.03 . 1 . . . . 29 PHE HA . 18820 1 265 . 1 1 29 29 PHE HB2 H 1 2.735 0.03 . 1 . . . . 29 PHE HB2 . 18820 1 266 . 1 1 29 29 PHE HB3 H 1 2.870 0.03 . 1 . . . . 29 PHE HB3 . 18820 1 267 . 1 1 29 29 PHE HD1 H 1 6.951 0.03 . 3 . . . . 29 PHE HD1 . 18820 1 268 . 1 1 29 29 PHE HD2 H 1 6.951 0.03 . 3 . . . . 29 PHE HD2 . 18820 1 269 . 1 1 29 29 PHE C C 13 176.901 0.3 . 1 . . . . 29 PHE C . 18820 1 270 . 1 1 29 29 PHE CA C 13 60.859 0.3 . 1 . . . . 29 PHE CA . 18820 1 271 . 1 1 29 29 PHE CD1 C 13 129.171 0.3 . 3 . . . . 29 PHE CD1 . 18820 1 272 . 1 1 29 29 PHE CD2 C 13 129.171 0.3 . 3 . . . . 29 PHE CD2 . 18820 1 273 . 1 1 29 29 PHE N N 15 123.963 0.006 . 1 . . . . 29 PHE N . 18820 1 274 . 1 1 30 30 ARG H H 1 8.448 0.002 . 1 . . . . 30 ARG H . 18820 1 275 . 1 1 30 30 ARG HA H 1 4.379 0.03 . 1 . . . . 30 ARG HA . 18820 1 276 . 1 1 30 30 ARG HB2 H 1 1.686 0.03 . 1 . . . . 30 ARG HB2 . 18820 1 277 . 1 1 30 30 ARG HB3 H 1 1.741 0.03 . 1 . . . . 30 ARG HB3 . 18820 1 278 . 1 1 30 30 ARG HG2 H 1 1.539 0.03 . 1 . . . . 30 ARG HG2 . 18820 1 279 . 1 1 30 30 ARG HG3 H 1 1.539 0.03 . 1 . . . . 30 ARG HG3 . 18820 1 280 . 1 1 30 30 ARG HD2 H 1 3.153 0.03 . 1 . . . . 30 ARG HD2 . 18820 1 281 . 1 1 30 30 ARG HD3 H 1 3.153 0.03 . 1 . . . . 30 ARG HD3 . 18820 1 282 . 1 1 30 30 ARG C C 13 178.876 0.3 . 1 . . . . 30 ARG C . 18820 1 283 . 1 1 30 30 ARG CA C 13 58.429 0.3 . 1 . . . . 30 ARG CA . 18820 1 284 . 1 1 30 30 ARG N N 15 116.797 0.3 . 1 . . . . 30 ARG N . 18820 1 285 . 1 1 31 31 ASN H H 1 9.153 0.003 . 1 . . . . 31 ASN H . 18820 1 286 . 1 1 31 31 ASN HA H 1 4.405 0.03 . 1 . . . . 31 ASN HA . 18820 1 287 . 1 1 31 31 ASN HB2 H 1 2.354 0.03 . 1 . . . . 31 ASN HB2 . 18820 1 288 . 1 1 31 31 ASN HB3 H 1 2.585 0.03 . 1 . . . . 31 ASN HB3 . 18820 1 289 . 1 1 31 31 ASN C C 13 176.640 0.3 . 1 . . . . 31 ASN C . 18820 1 290 . 1 1 31 31 ASN CA C 13 55.539 0.3 . 1 . . . . 31 ASN CA . 18820 1 291 . 1 1 31 31 ASN N N 15 117.289 0.003 . 1 . . . . 31 ASN N . 18820 1 292 . 1 1 32 32 ASP H H 1 8.542 0.002 . 1 . . . . 32 ASP H . 18820 1 293 . 1 1 32 32 ASP HA H 1 4.629 0.03 . 1 . . . . 32 ASP HA . 18820 1 294 . 1 1 32 32 ASP HB2 H 1 2.057 0.03 . 1 . . . . 32 ASP HB2 . 18820 1 295 . 1 1 32 32 ASP HB3 H 1 2.096 0.03 . 1 . . . . 32 ASP HB3 . 18820 1 296 . 1 1 32 32 ASP C C 13 177.244 0.3 . 1 . . . . 32 ASP C . 18820 1 297 . 1 1 32 32 ASP CA C 13 56.173 0.3 . 1 . . . . 32 ASP CA . 18820 1 298 . 1 1 32 32 ASP N N 15 116.178 0.002 . 1 . . . . 32 ASP N . 18820 1 299 . 1 1 33 33 PHE H H 1 6.564 0.002 . 1 . . . . 33 PHE H . 18820 1 300 . 1 1 33 33 PHE HA H 1 5.005 0.016 . 1 . . . . 33 PHE HA . 18820 1 301 . 1 1 33 33 PHE HB2 H 1 2.789 0.03 . 1 . . . . 33 PHE HB2 . 18820 1 302 . 1 1 33 33 PHE HB3 H 1 3.054 0.008 . 1 . . . . 33 PHE HB3 . 18820 1 303 . 1 1 33 33 PHE HD1 H 1 6.860 0.003 . 3 . . . . 33 PHE HD1 . 18820 1 304 . 1 1 33 33 PHE HD2 H 1 6.860 0.003 . 3 . . . . 33 PHE HD2 . 18820 1 305 . 1 1 33 33 PHE HE1 H 1 7.004 0.003 . 3 . . . . 33 PHE HE1 . 18820 1 306 . 1 1 33 33 PHE HE2 H 1 7.004 0.003 . 3 . . . . 33 PHE HE2 . 18820 1 307 . 1 1 33 33 PHE C C 13 176.350 0.3 . 1 . . . . 33 PHE C . 18820 1 308 . 1 1 33 33 PHE CA C 13 54.876 0.3 . 1 . . . . 33 PHE CA . 18820 1 309 . 1 1 33 33 PHE CD1 C 13 128.867 0.052 . 3 . . . . 33 PHE CD1 . 18820 1 310 . 1 1 33 33 PHE CD2 C 13 128.867 0.052 . 3 . . . . 33 PHE CD2 . 18820 1 311 . 1 1 33 33 PHE CE1 C 13 128.252 0.3 . 3 . . . . 33 PHE CE1 . 18820 1 312 . 1 1 33 33 PHE CE2 C 13 128.252 0.3 . 3 . . . . 33 PHE CE2 . 18820 1 313 . 1 1 33 33 PHE N N 15 113.668 0.004 . 1 . . . . 33 PHE N . 18820 1 314 . 1 1 34 34 GLY H H 1 7.064 0.002 . 1 . . . . 34 GLY H . 18820 1 315 . 1 1 34 34 GLY HA2 H 1 3.874 0.004 . 1 . . . . 34 GLY HA2 . 18820 1 316 . 1 1 34 34 GLY HA3 H 1 3.905 0.006 . 1 . . . . 34 GLY HA3 . 18820 1 317 . 1 1 34 34 GLY C C 13 174.485 0.3 . 1 . . . . 34 GLY C . 18820 1 318 . 1 1 34 34 GLY CA C 13 46.423 0.033 . 1 . . . . 34 GLY CA . 18820 1 319 . 1 1 35 35 ALA H H 1 7.840 0.003 . 1 . . . . 35 ALA H . 18820 1 320 . 1 1 35 35 ALA HA H 1 4.296 0.03 . 1 . . . . 35 ALA HA . 18820 1 321 . 1 1 35 35 ALA HB1 H 1 1.038 0.03 . 1 . . . . 35 ALA HB1 . 18820 1 322 . 1 1 35 35 ALA HB2 H 1 1.038 0.03 . 1 . . . . 35 ALA HB2 . 18820 1 323 . 1 1 35 35 ALA HB3 H 1 1.038 0.03 . 1 . . . . 35 ALA HB3 . 18820 1 324 . 1 1 35 35 ALA C C 13 177.600 0.3 . 1 . . . . 35 ALA C . 18820 1 325 . 1 1 35 35 ALA CA C 13 52.367 0.3 . 1 . . . . 35 ALA CA . 18820 1 326 . 1 1 35 35 ALA N N 15 122.174 0.3 . 1 . . . . 35 ALA N . 18820 1 327 . 1 1 36 36 GLU H H 1 8.720 0.005 . 1 . . . . 36 GLU H . 18820 1 328 . 1 1 36 36 GLU HA H 1 4.536 0.03 . 1 . . . . 36 GLU HA . 18820 1 329 . 1 1 36 36 GLU HB2 H 1 1.925 0.03 . 1 . . . . 36 GLU HB2 . 18820 1 330 . 1 1 36 36 GLU HB3 H 1 1.925 0.03 . 1 . . . . 36 GLU HB3 . 18820 1 331 . 1 1 36 36 GLU HG2 H 1 2.351 0.03 . 1 . . . . 36 GLU HG2 . 18820 1 332 . 1 1 36 36 GLU HG3 H 1 2.420 0.03 . 1 . . . . 36 GLU HG3 . 18820 1 333 . 1 1 36 36 GLU C C 13 178.239 0.3 . 1 . . . . 36 GLU C . 18820 1 334 . 1 1 36 36 GLU CA C 13 54.915 0.3 . 1 . . . . 36 GLU CA . 18820 1 335 . 1 1 36 36 GLU N N 15 120.694 0.013 . 1 . . . . 36 GLU N . 18820 1 336 . 1 1 37 37 SER H H 1 8.945 0.001 . 1 . . . . 37 SER H . 18820 1 337 . 1 1 37 37 SER HA H 1 4.034 0.03 . 1 . . . . 37 SER HA . 18820 1 338 . 1 1 37 37 SER HB2 H 1 3.911 0.03 . 1 . . . . 37 SER HB2 . 18820 1 339 . 1 1 37 37 SER HB3 H 1 3.911 0.03 . 1 . . . . 37 SER HB3 . 18820 1 340 . 1 1 37 37 SER C C 13 179.310 0.3 . 1 . . . . 37 SER C . 18820 1 341 . 1 1 37 37 SER CA C 13 62.804 0.3 . 1 . . . . 37 SER CA . 18820 1 342 . 1 1 37 37 SER N N 15 118.130 0.002 . 1 . . . . 37 SER N . 18820 1 343 . 1 1 38 38 LEU H H 1 8.576 0.005 . 1 . . . . 38 LEU H . 18820 1 344 . 1 1 38 38 LEU HA H 1 4.053 0.03 . 1 . . . . 38 LEU HA . 18820 1 345 . 1 1 38 38 LEU HB3 H 1 1.605 0.03 . 1 . . . . 38 LEU HB3 . 18820 1 346 . 1 1 38 38 LEU HG H 1 1.536 0.03 . 1 . . . . 38 LEU HG . 18820 1 347 . 1 1 38 38 LEU HD11 H 1 0.823 0.03 . 1 . . . . 38 LEU HD11 . 18820 1 348 . 1 1 38 38 LEU HD12 H 1 0.823 0.03 . 1 . . . . 38 LEU HD12 . 18820 1 349 . 1 1 38 38 LEU HD13 H 1 0.823 0.03 . 1 . . . . 38 LEU HD13 . 18820 1 350 . 1 1 38 38 LEU HD21 H 1 0.809 0.03 . 1 . . . . 38 LEU HD21 . 18820 1 351 . 1 1 38 38 LEU HD22 H 1 0.809 0.03 . 1 . . . . 38 LEU HD22 . 18820 1 352 . 1 1 38 38 LEU HD23 H 1 0.809 0.03 . 1 . . . . 38 LEU HD23 . 18820 1 353 . 1 1 38 38 LEU C C 13 178.728 0.3 . 1 . . . . 38 LEU C . 18820 1 354 . 1 1 38 38 LEU CA C 13 57.964 0.3 . 1 . . . . 38 LEU CA . 18820 1 355 . 1 1 38 38 LEU N N 15 120.235 0.001 . 1 . . . . 38 LEU N . 18820 1 356 . 1 1 39 39 GLU H H 1 7.363 0.001 . 1 . . . . 39 GLU H . 18820 1 357 . 1 1 39 39 GLU HA H 1 4.053 0.03 . 1 . . . . 39 GLU HA . 18820 1 358 . 1 1 39 39 GLU HB2 H 1 2.008 0.03 . 1 . . . . 39 GLU HB2 . 18820 1 359 . 1 1 39 39 GLU HB3 H 1 2.008 0.03 . 1 . . . . 39 GLU HB3 . 18820 1 360 . 1 1 39 39 GLU HG2 H 1 2.283 0.03 . 1 . . . . 39 GLU HG2 . 18820 1 361 . 1 1 39 39 GLU HG3 H 1 2.283 0.03 . 1 . . . . 39 GLU HG3 . 18820 1 362 . 1 1 39 39 GLU C C 13 179.478 0.3 . 1 . . . . 39 GLU C . 18820 1 363 . 1 1 39 39 GLU CA C 13 58.860 0.3 . 1 . . . . 39 GLU CA . 18820 1 364 . 1 1 39 39 GLU N N 15 116.966 0.017 . 1 . . . . 39 GLU N . 18820 1 365 . 1 1 40 40 VAL H H 1 7.738 0.002 . 1 . . . . 40 VAL H . 18820 1 366 . 1 1 40 40 VAL HA H 1 3.385 0.03 . 1 . . . . 40 VAL HA . 18820 1 367 . 1 1 40 40 VAL HB H 1 2.248 0.03 . 1 . . . . 40 VAL HB . 18820 1 368 . 1 1 40 40 VAL HG11 H 1 0.880 0.03 . 1 . . . . 40 VAL HG11 . 18820 1 369 . 1 1 40 40 VAL HG12 H 1 0.880 0.03 . 1 . . . . 40 VAL HG12 . 18820 1 370 . 1 1 40 40 VAL HG13 H 1 0.880 0.03 . 1 . . . . 40 VAL HG13 . 18820 1 371 . 1 1 40 40 VAL HG21 H 1 0.843 0.03 . 1 . . . . 40 VAL HG21 . 18820 1 372 . 1 1 40 40 VAL HG22 H 1 0.843 0.03 . 1 . . . . 40 VAL HG22 . 18820 1 373 . 1 1 40 40 VAL HG23 H 1 0.843 0.03 . 1 . . . . 40 VAL HG23 . 18820 1 374 . 1 1 40 40 VAL CA C 13 67.482 0.3 . 1 . . . . 40 VAL CA . 18820 1 375 . 1 1 40 40 VAL CB C 13 31.156 0.3 . 1 . . . . 40 VAL CB . 18820 1 376 . 1 1 40 40 VAL N N 15 121.055 0.010 . 1 . . . . 40 VAL N . 18820 1 377 . 1 1 41 41 VAL H H 1 7.815 0.002 . 1 . . . . 41 VAL H . 18820 1 378 . 1 1 41 41 VAL HA H 1 3.431 0.03 . 1 . . . . 41 VAL HA . 18820 1 379 . 1 1 41 41 VAL HB H 1 2.149 0.03 . 1 . . . . 41 VAL HB . 18820 1 380 . 1 1 41 41 VAL HG11 H 1 0.862 0.003 . 1 . . . . 41 VAL HG11 . 18820 1 381 . 1 1 41 41 VAL HG12 H 1 0.862 0.003 . 1 . . . . 41 VAL HG12 . 18820 1 382 . 1 1 41 41 VAL HG13 H 1 0.862 0.003 . 1 . . . . 41 VAL HG13 . 18820 1 383 . 1 1 41 41 VAL HG21 H 1 0.959 0.002 . 1 . . . . 41 VAL HG21 . 18820 1 384 . 1 1 41 41 VAL HG22 H 1 0.959 0.002 . 1 . . . . 41 VAL HG22 . 18820 1 385 . 1 1 41 41 VAL HG23 H 1 0.959 0.002 . 1 . . . . 41 VAL HG23 . 18820 1 386 . 1 1 41 41 VAL C C 13 178.639 0.3 . 1 . . . . 41 VAL C . 18820 1 387 . 1 1 41 41 VAL CA C 13 67.344 0.3 . 1 . . . . 41 VAL CA . 18820 1 388 . 1 1 41 41 VAL CB C 13 31.237 0.3 . 1 . . . . 41 VAL CB . 18820 1 389 . 1 1 41 41 VAL CG1 C 13 22.864 0.3 . 1 . . . . 41 VAL CG1 . 18820 1 390 . 1 1 41 41 VAL CG2 C 13 21.236 0.3 . 1 . . . . 41 VAL CG2 . 18820 1 391 . 1 1 41 41 VAL N N 15 120.191 0.029 . 1 . . . . 41 VAL N . 18820 1 392 . 1 1 42 42 GLU H H 1 7.900 0.001 . 1 . . . . 42 GLU H . 18820 1 393 . 1 1 42 42 GLU HA H 1 3.911 0.03 . 1 . . . . 42 GLU HA . 18820 1 394 . 1 1 42 42 GLU HB2 H 1 1.916 0.03 . 1 . . . . 42 GLU HB2 . 18820 1 395 . 1 1 42 42 GLU HB3 H 1 2.018 0.03 . 1 . . . . 42 GLU HB3 . 18820 1 396 . 1 1 42 42 GLU HG2 H 1 2.135 0.03 . 1 . . . . 42 GLU HG2 . 18820 1 397 . 1 1 42 42 GLU HG3 H 1 2.452 0.03 . 1 . . . . 42 GLU HG3 . 18820 1 398 . 1 1 42 42 GLU C C 13 179.546 0.3 . 1 . . . . 42 GLU C . 18820 1 399 . 1 1 42 42 GLU CA C 13 59.606 0.3 . 1 . . . . 42 GLU CA . 18820 1 400 . 1 1 42 42 GLU N N 15 117.819 0.001 . 1 . . . . 42 GLU N . 18820 1 401 . 1 1 43 43 LEU H H 1 7.780 0.001 . 1 . . . . 43 LEU H . 18820 1 402 . 1 1 43 43 LEU HA H 1 3.870 0.03 . 1 . . . . 43 LEU HA . 18820 1 403 . 1 1 43 43 LEU HB2 H 1 2.065 0.03 . 1 . . . . 43 LEU HB2 . 18820 1 404 . 1 1 43 43 LEU HB3 H 1 2.065 0.03 . 1 . . . . 43 LEU HB3 . 18820 1 405 . 1 1 43 43 LEU HG H 1 1.335 0.03 . 1 . . . . 43 LEU HG . 18820 1 406 . 1 1 43 43 LEU HD11 H 1 1.258 0.03 . 1 . . . . 43 LEU HD11 . 18820 1 407 . 1 1 43 43 LEU HD12 H 1 1.258 0.03 . 1 . . . . 43 LEU HD12 . 18820 1 408 . 1 1 43 43 LEU HD13 H 1 1.258 0.03 . 1 . . . . 43 LEU HD13 . 18820 1 409 . 1 1 43 43 LEU HD21 H 1 0.551 0.03 . 1 . . . . 43 LEU HD21 . 18820 1 410 . 1 1 43 43 LEU HD22 H 1 0.551 0.03 . 1 . . . . 43 LEU HD22 . 18820 1 411 . 1 1 43 43 LEU HD23 H 1 0.551 0.03 . 1 . . . . 43 LEU HD23 . 18820 1 412 . 1 1 43 43 LEU C C 13 177.949 0.3 . 1 . . . . 43 LEU C . 18820 1 413 . 1 1 43 43 LEU CA C 13 58.046 0.3 . 1 . . . . 43 LEU CA . 18820 1 414 . 1 1 43 43 LEU N N 15 122.727 0.001 . 1 . . . . 43 LEU N . 18820 1 415 . 1 1 44 44 VAL H H 1 8.409 0.001 . 1 . . . . 44 VAL H . 18820 1 416 . 1 1 44 44 VAL HA H 1 3.309 0.03 . 1 . . . . 44 VAL HA . 18820 1 417 . 1 1 44 44 VAL HB H 1 2.216 0.03 . 1 . . . . 44 VAL HB . 18820 1 418 . 1 1 44 44 VAL HG11 H 1 0.789 0.03 . 1 . . . . 44 VAL HG11 . 18820 1 419 . 1 1 44 44 VAL HG12 H 1 0.789 0.03 . 1 . . . . 44 VAL HG12 . 18820 1 420 . 1 1 44 44 VAL HG13 H 1 0.789 0.03 . 1 . . . . 44 VAL HG13 . 18820 1 421 . 1 1 44 44 VAL HG21 H 1 0.905 0.03 . 1 . . . . 44 VAL HG21 . 18820 1 422 . 1 1 44 44 VAL HG22 H 1 0.905 0.03 . 1 . . . . 44 VAL HG22 . 18820 1 423 . 1 1 44 44 VAL HG23 H 1 0.905 0.03 . 1 . . . . 44 VAL HG23 . 18820 1 424 . 1 1 44 44 VAL C C 13 178.212 0.3 . 1 . . . . 44 VAL C . 18820 1 425 . 1 1 44 44 VAL CA C 13 68.024 0.3 . 1 . . . . 44 VAL CA . 18820 1 426 . 1 1 44 44 VAL N N 15 120.857 0.002 . 1 . . . . 44 VAL N . 18820 1 427 . 1 1 45 45 MET H H 1 8.283 0.005 . 1 . . . . 45 MET H . 18820 1 428 . 1 1 45 45 MET HA H 1 4.329 0.03 . 1 . . . . 45 MET HA . 18820 1 429 . 1 1 45 45 MET HE1 H 1 2.535 0.03 . 1 . . . . 45 MET HE1 . 18820 1 430 . 1 1 45 45 MET HE2 H 1 2.535 0.03 . 1 . . . . 45 MET HE2 . 18820 1 431 . 1 1 45 45 MET HE3 H 1 2.535 0.03 . 1 . . . . 45 MET HE3 . 18820 1 432 . 1 1 45 45 MET C C 13 179.462 0.3 . 1 . . . . 45 MET C . 18820 1 433 . 1 1 45 45 MET CA C 13 58.925 0.3 . 1 . . . . 45 MET CA . 18820 1 434 . 1 1 45 45 MET N N 15 118.250 0.013 . 1 . . . . 45 MET N . 18820 1 435 . 1 1 46 46 ALA H H 1 7.996 0.002 . 1 . . . . 46 ALA H . 18820 1 436 . 1 1 46 46 ALA HA H 1 4.189 0.03 . 1 . . . . 46 ALA HA . 18820 1 437 . 1 1 46 46 ALA HB1 H 1 1.508 0.03 . 1 . . . . 46 ALA HB1 . 18820 1 438 . 1 1 46 46 ALA HB2 H 1 1.508 0.03 . 1 . . . . 46 ALA HB2 . 18820 1 439 . 1 1 46 46 ALA HB3 H 1 1.508 0.03 . 1 . . . . 46 ALA HB3 . 18820 1 440 . 1 1 46 46 ALA C C 13 181.108 0.3 . 1 . . . . 46 ALA C . 18820 1 441 . 1 1 46 46 ALA CA C 13 54.861 0.3 . 1 . . . . 46 ALA CA . 18820 1 442 . 1 1 46 46 ALA N N 15 123.810 0.003 . 1 . . . . 46 ALA N . 18820 1 443 . 1 1 47 47 LEU H H 1 8.548 0.002 . 1 . . . . 47 LEU H . 18820 1 444 . 1 1 47 47 LEU HA H 1 4.041 0.03 . 1 . . . . 47 LEU HA . 18820 1 445 . 1 1 47 47 LEU HB2 H 1 2.292 0.03 . 1 . . . . 47 LEU HB2 . 18820 1 446 . 1 1 47 47 LEU HB3 H 1 2.292 0.03 . 1 . . . . 47 LEU HB3 . 18820 1 447 . 1 1 47 47 LEU HG H 1 1.331 0.03 . 1 . . . . 47 LEU HG . 18820 1 448 . 1 1 47 47 LEU HD11 H 1 0.912 0.03 . 1 . . . . 47 LEU HD11 . 18820 1 449 . 1 1 47 47 LEU HD12 H 1 0.912 0.03 . 1 . . . . 47 LEU HD12 . 18820 1 450 . 1 1 47 47 LEU HD13 H 1 0.912 0.03 . 1 . . . . 47 LEU HD13 . 18820 1 451 . 1 1 47 47 LEU HD21 H 1 0.727 0.03 . 1 . . . . 47 LEU HD21 . 18820 1 452 . 1 1 47 47 LEU HD22 H 1 0.727 0.03 . 1 . . . . 47 LEU HD22 . 18820 1 453 . 1 1 47 47 LEU HD23 H 1 0.727 0.03 . 1 . . . . 47 LEU HD23 . 18820 1 454 . 1 1 47 47 LEU C C 13 178.999 0.3 . 1 . . . . 47 LEU C . 18820 1 455 . 1 1 47 47 LEU CA C 13 58.114 0.3 . 1 . . . . 47 LEU CA . 18820 1 456 . 1 1 47 47 LEU N N 15 120.851 0.004 . 1 . . . . 47 LEU N . 18820 1 457 . 1 1 48 48 GLU H H 1 8.482 0.002 . 1 . . . . 48 GLU H . 18820 1 458 . 1 1 48 48 GLU HA H 1 3.925 0.03 . 1 . . . . 48 GLU HA . 18820 1 459 . 1 1 48 48 GLU HB2 H 1 2.376 0.008 . 1 . . . . 48 GLU HB2 . 18820 1 460 . 1 1 48 48 GLU HB3 H 1 2.195 0.001 . 1 . . . . 48 GLU HB3 . 18820 1 461 . 1 1 48 48 GLU HG2 H 1 2.689 0.001 . 1 . . . . 48 GLU HG2 . 18820 1 462 . 1 1 48 48 GLU HG3 H 1 2.689 0.001 . 1 . . . . 48 GLU HG3 . 18820 1 463 . 1 1 48 48 GLU C C 13 179.245 0.3 . 1 . . . . 48 GLU C . 18820 1 464 . 1 1 48 48 GLU CA C 13 60.105 0.3 . 1 . . . . 48 GLU CA . 18820 1 465 . 1 1 48 48 GLU CB C 13 29.539 0.017 . 1 . . . . 48 GLU CB . 18820 1 466 . 1 1 48 48 GLU CG C 13 35.989 0.3 . 1 . . . . 48 GLU CG . 18820 1 467 . 1 1 48 48 GLU N N 15 118.844 0.013 . 1 . . . . 48 GLU N . 18820 1 468 . 1 1 49 49 ALA H H 1 7.662 0.001 . 1 . . . . 49 ALA H . 18820 1 469 . 1 1 49 49 ALA HA H 1 4.126 0.03 . 1 . . . . 49 ALA HA . 18820 1 470 . 1 1 49 49 ALA HB1 H 1 1.439 0.03 . 1 . . . . 49 ALA HB1 . 18820 1 471 . 1 1 49 49 ALA HB2 H 1 1.439 0.03 . 1 . . . . 49 ALA HB2 . 18820 1 472 . 1 1 49 49 ALA HB3 H 1 1.439 0.03 . 1 . . . . 49 ALA HB3 . 18820 1 473 . 1 1 49 49 ALA C C 13 180.057 0.3 . 1 . . . . 49 ALA C . 18820 1 474 . 1 1 49 49 ALA CA C 13 54.345 0.3 . 1 . . . . 49 ALA CA . 18820 1 475 . 1 1 49 49 ALA N N 15 119.853 0.007 . 1 . . . . 49 ALA N . 18820 1 476 . 1 1 50 50 GLU H H 1 8.011 0.004 . 1 . . . . 50 GLU H . 18820 1 477 . 1 1 50 50 GLU HA H 1 3.884 0.03 . 1 . . . . 50 GLU HA . 18820 1 478 . 1 1 50 50 GLU HG2 H 1 1.979 0.03 . 1 . . . . 50 GLU HG2 . 18820 1 479 . 1 1 50 50 GLU HG3 H 1 1.979 0.03 . 1 . . . . 50 GLU HG3 . 18820 1 480 . 1 1 50 50 GLU C C 13 177.397 0.3 . 1 . . . . 50 GLU C . 18820 1 481 . 1 1 50 50 GLU CA C 13 58.141 0.3 . 1 . . . . 50 GLU CA . 18820 1 482 . 1 1 50 50 GLU N N 15 118.582 0.004 . 1 . . . . 50 GLU N . 18820 1 483 . 1 1 51 51 PHE H H 1 7.914 0.004 . 1 . . . . 51 PHE H . 18820 1 484 . 1 1 51 51 PHE HA H 1 4.421 0.03 . 1 . . . . 51 PHE HA . 18820 1 485 . 1 1 51 51 PHE HB2 H 1 2.684 0.03 . 1 . . . . 51 PHE HB2 . 18820 1 486 . 1 1 51 51 PHE HB3 H 1 3.223 0.03 . 1 . . . . 51 PHE HB3 . 18820 1 487 . 1 1 51 51 PHE HD1 H 1 7.518 0.002 . 3 . . . . 51 PHE HD1 . 18820 1 488 . 1 1 51 51 PHE HD2 H 1 7.518 0.002 . 3 . . . . 51 PHE HD2 . 18820 1 489 . 1 1 51 51 PHE HE1 H 1 7.034 0.005 . 3 . . . . 51 PHE HE1 . 18820 1 490 . 1 1 51 51 PHE HE2 H 1 7.034 0.005 . 3 . . . . 51 PHE HE2 . 18820 1 491 . 1 1 51 51 PHE C C 13 175.832 0.3 . 1 . . . . 51 PHE C . 18820 1 492 . 1 1 51 51 PHE CA C 13 58.752 0.3 . 1 . . . . 51 PHE CA . 18820 1 493 . 1 1 51 51 PHE CD1 C 13 130.197 0.3 . 3 . . . . 51 PHE CD1 . 18820 1 494 . 1 1 51 51 PHE CD2 C 13 130.197 0.3 . 3 . . . . 51 PHE CD2 . 18820 1 495 . 1 1 51 51 PHE CE1 C 13 128.427 0.007 . 3 . . . . 51 PHE CE1 . 18820 1 496 . 1 1 51 51 PHE CE2 C 13 128.427 0.007 . 3 . . . . 51 PHE CE2 . 18820 1 497 . 1 1 51 51 PHE N N 15 111.941 0.3 . 1 . . . . 51 PHE N . 18820 1 498 . 1 1 52 52 GLY H H 1 7.972 0.002 . 1 . . . . 52 GLY H . 18820 1 499 . 1 1 52 52 GLY HA2 H 1 3.880 0.03 . 1 . . . . 52 GLY HA2 . 18820 1 500 . 1 1 52 52 GLY HA3 H 1 3.909 0.03 . 1 . . . . 52 GLY HA3 . 18820 1 501 . 1 1 52 52 GLY C C 13 174.613 0.3 . 1 . . . . 52 GLY C . 18820 1 502 . 1 1 52 52 GLY CA C 13 47.169 0.3 . 1 . . . . 52 GLY CA . 18820 1 503 . 1 1 52 52 GLY N N 15 110.865 0.006 . 1 . . . . 52 GLY N . 18820 1 504 . 1 1 53 53 VAL H H 1 7.432 0.001 . 1 . . . . 53 VAL H . 18820 1 505 . 1 1 53 53 VAL HB H 1 2.038 0.03 . 1 . . . . 53 VAL HB . 18820 1 506 . 1 1 53 53 VAL C C 13 173.936 0.3 . 1 . . . . 53 VAL C . 18820 1 507 . 1 1 53 53 VAL N N 15 111.165 0.014 . 1 . . . . 53 VAL N . 18820 1 508 . 1 1 54 54 GLU H H 1 8.265 0.003 . 1 . . . . 54 GLU H . 18820 1 509 . 1 1 54 54 GLU CA C 13 55.252 0.011 . 1 . . . . 54 GLU CA . 18820 1 510 . 1 1 54 54 GLU CB C 13 31.193 0.3 . 1 . . . . 54 GLU CB . 18820 1 511 . 1 1 54 54 GLU N N 15 121.069 0.013 . 1 . . . . 54 GLU N . 18820 1 512 . 1 1 55 55 ILE HA H 1 4.103 0.03 . 1 . . . . 55 ILE HA . 18820 1 513 . 1 1 55 55 ILE HB H 1 1.427 0.03 . 1 . . . . 55 ILE HB . 18820 1 514 . 1 1 55 55 ILE HG21 H 1 0.840 0.03 . 1 . . . . 55 ILE HG21 . 18820 1 515 . 1 1 55 55 ILE HG22 H 1 0.840 0.03 . 1 . . . . 55 ILE HG22 . 18820 1 516 . 1 1 55 55 ILE HG23 H 1 0.840 0.03 . 1 . . . . 55 ILE HG23 . 18820 1 517 . 1 1 55 55 ILE HD11 H 1 0.476 0.03 . 1 . . . . 55 ILE HD11 . 18820 1 518 . 1 1 55 55 ILE HD12 H 1 0.476 0.03 . 1 . . . . 55 ILE HD12 . 18820 1 519 . 1 1 55 55 ILE HD13 H 1 0.476 0.03 . 1 . . . . 55 ILE HD13 . 18820 1 520 . 1 1 55 55 ILE C C 13 174.873 0.3 . 1 . . . . 55 ILE C . 18820 1 521 . 1 1 56 56 ALA H H 1 8.755 0.001 . 1 . . . . 56 ALA H . 18820 1 522 . 1 1 56 56 ALA HA H 1 4.194 0.03 . 1 . . . . 56 ALA HA . 18820 1 523 . 1 1 56 56 ALA HB1 H 1 1.433 0.03 . 1 . . . . 56 ALA HB1 . 18820 1 524 . 1 1 56 56 ALA HB2 H 1 1.433 0.03 . 1 . . . . 56 ALA HB2 . 18820 1 525 . 1 1 56 56 ALA HB3 H 1 1.433 0.03 . 1 . . . . 56 ALA HB3 . 18820 1 526 . 1 1 56 56 ALA C C 13 178.365 0.3 . 1 . . . . 56 ALA C . 18820 1 527 . 1 1 56 56 ALA CA C 13 52.379 0.3 . 1 . . . . 56 ALA CA . 18820 1 528 . 1 1 56 56 ALA N N 15 111.856 0.001 . 1 . . . . 56 ALA N . 18820 1 529 . 1 1 57 57 ASP H H 1 8.658 0.001 . 1 . . . . 57 ASP H . 18820 1 530 . 1 1 57 57 ASP HA H 1 4.241 0.03 . 1 . . . . 57 ASP HA . 18820 1 531 . 1 1 57 57 ASP HB2 H 1 2.562 0.03 . 1 . . . . 57 ASP HB2 . 18820 1 532 . 1 1 57 57 ASP HB3 H 1 2.455 0.03 . 1 . . . . 57 ASP HB3 . 18820 1 533 . 1 1 57 57 ASP N N 15 122.074 0.006 . 1 . . . . 57 ASP N . 18820 1 534 . 1 1 58 58 ASP H H 1 7.161 0.001 . 1 . . . . 58 ASP H . 18820 1 535 . 1 1 58 58 ASP HA H 1 4.196 0.03 . 1 . . . . 58 ASP HA . 18820 1 536 . 1 1 58 58 ASP HB2 H 1 2.528 0.03 . 1 . . . . 58 ASP HB2 . 18820 1 537 . 1 1 58 58 ASP HB3 H 1 2.628 0.03 . 1 . . . . 58 ASP HB3 . 18820 1 538 . 1 1 58 58 ASP C C 13 177.696 0.3 . 1 . . . . 58 ASP C . 18820 1 539 . 1 1 58 58 ASP N N 15 118.507 0.022 . 1 . . . . 58 ASP N . 18820 1 540 . 1 1 59 59 ASP H H 1 8.599 0.001 . 1 . . . . 59 ASP H . 18820 1 541 . 1 1 59 59 ASP HA H 1 4.393 0.03 . 1 . . . . 59 ASP HA . 18820 1 542 . 1 1 59 59 ASP HB2 H 1 2.179 0.03 . 1 . . . . 59 ASP HB2 . 18820 1 543 . 1 1 59 59 ASP HB3 H 1 2.493 0.03 . 1 . . . . 59 ASP HB3 . 18820 1 544 . 1 1 59 59 ASP C C 13 177.892 0.3 . 1 . . . . 59 ASP C . 18820 1 545 . 1 1 59 59 ASP CA C 13 56.227 0.3 . 1 . . . . 59 ASP CA . 18820 1 546 . 1 1 59 59 ASP N N 15 116.425 0.001 . 1 . . . . 59 ASP N . 18820 1 547 . 1 1 60 60 ALA H H 1 8.315 0.003 . 1 . . . . 60 ALA H . 18820 1 548 . 1 1 60 60 ALA HA H 1 3.590 0.03 . 1 . . . . 60 ALA HA . 18820 1 549 . 1 1 60 60 ALA HB1 H 1 1.295 0.03 . 1 . . . . 60 ALA HB1 . 18820 1 550 . 1 1 60 60 ALA HB2 H 1 1.295 0.03 . 1 . . . . 60 ALA HB2 . 18820 1 551 . 1 1 60 60 ALA HB3 H 1 1.295 0.03 . 1 . . . . 60 ALA HB3 . 18820 1 552 . 1 1 60 60 ALA C C 13 179.257 0.3 . 1 . . . . 60 ALA C . 18820 1 553 . 1 1 60 60 ALA CA C 13 55.000 0.3 . 1 . . . . 60 ALA CA . 18820 1 554 . 1 1 60 60 ALA N N 15 122.660 0.001 . 1 . . . . 60 ALA N . 18820 1 555 . 1 1 61 61 GLU H H 1 7.537 0.001 . 1 . . . . 61 GLU H . 18820 1 556 . 1 1 61 61 GLU HA H 1 3.893 0.03 . 1 . . . . 61 GLU HA . 18820 1 557 . 1 1 61 61 GLU HB2 H 1 1.962 0.03 . 1 . . . . 61 GLU HB2 . 18820 1 558 . 1 1 61 61 GLU HB3 H 1 1.962 0.03 . 1 . . . . 61 GLU HB3 . 18820 1 559 . 1 1 61 61 GLU HG2 H 1 2.226 0.03 . 1 . . . . 61 GLU HG2 . 18820 1 560 . 1 1 61 61 GLU HG3 H 1 2.269 0.03 . 1 . . . . 61 GLU HG3 . 18820 1 561 . 1 1 61 61 GLU C C 13 176.823 0.3 . 1 . . . . 61 GLU C . 18820 1 562 . 1 1 61 61 GLU CA C 13 57.825 0.3 . 1 . . . . 61 GLU CA . 18820 1 563 . 1 1 61 61 GLU N N 15 113.551 0.009 . 1 . . . . 61 GLU N . 18820 1 564 . 1 1 62 62 ARG H H 1 7.167 0.002 . 1 . . . . 62 ARG H . 18820 1 565 . 1 1 62 62 ARG HA H 1 4.307 0.03 . 1 . . . . 62 ARG HA . 18820 1 566 . 1 1 62 62 ARG HB2 H 1 1.823 0.03 . 1 . . . . 62 ARG HB2 . 18820 1 567 . 1 1 62 62 ARG HB3 H 1 1.951 0.03 . 1 . . . . 62 ARG HB3 . 18820 1 568 . 1 1 62 62 ARG HG2 H 1 1.618 0.03 . 1 . . . . 62 ARG HG2 . 18820 1 569 . 1 1 62 62 ARG HG3 H 1 1.684 0.03 . 1 . . . . 62 ARG HG3 . 18820 1 570 . 1 1 62 62 ARG HD2 H 1 3.187 0.03 . 1 . . . . 62 ARG HD2 . 18820 1 571 . 1 1 62 62 ARG HD3 H 1 3.187 0.03 . 1 . . . . 62 ARG HD3 . 18820 1 572 . 1 1 62 62 ARG C C 13 176.224 0.3 . 1 . . . . 62 ARG C . 18820 1 573 . 1 1 62 62 ARG CA C 13 55.718 0.3 . 1 . . . . 62 ARG CA . 18820 1 574 . 1 1 62 62 ARG N N 15 115.456 0.001 . 1 . . . . 62 ARG N . 18820 1 575 . 1 1 63 63 ILE H H 1 7.182 0.003 . 1 . . . . 63 ILE H . 18820 1 576 . 1 1 63 63 ILE HA H 1 3.726 0.03 . 1 . . . . 63 ILE HA . 18820 1 577 . 1 1 63 63 ILE HB H 1 1.818 0.03 . 1 . . . . 63 ILE HB . 18820 1 578 . 1 1 63 63 ILE HD11 H 1 0.416 0.03 . 1 . . . . 63 ILE HD11 . 18820 1 579 . 1 1 63 63 ILE HD12 H 1 0.416 0.03 . 1 . . . . 63 ILE HD12 . 18820 1 580 . 1 1 63 63 ILE HD13 H 1 0.416 0.03 . 1 . . . . 63 ILE HD13 . 18820 1 581 . 1 1 63 63 ILE C C 13 174.600 0.3 . 1 . . . . 63 ILE C . 18820 1 582 . 1 1 63 63 ILE CA C 13 62.822 0.3 . 1 . . . . 63 ILE CA . 18820 1 583 . 1 1 63 63 ILE N N 15 121.065 0.005 . 1 . . . . 63 ILE N . 18820 1 584 . 1 1 64 64 GLU H H 1 8.830 0.001 . 1 . . . . 64 GLU H . 18820 1 585 . 1 1 64 64 GLU HA H 1 4.519 0.03 . 1 . . . . 64 GLU HA . 18820 1 586 . 1 1 64 64 GLU HB3 H 1 2.154 0.03 . 1 . . . . 64 GLU HB3 . 18820 1 587 . 1 1 64 64 GLU HG2 H 1 2.231 0.03 . 1 . . . . 64 GLU HG2 . 18820 1 588 . 1 1 64 64 GLU HG3 H 1 2.231 0.03 . 1 . . . . 64 GLU HG3 . 18820 1 589 . 1 1 64 64 GLU C C 13 176.676 0.3 . 1 . . . . 64 GLU C . 18820 1 590 . 1 1 64 64 GLU CA C 13 56.889 0.3 . 1 . . . . 64 GLU CA . 18820 1 591 . 1 1 64 64 GLU N N 15 124.553 0.002 . 1 . . . . 64 GLU N . 18820 1 592 . 1 1 65 65 THR H H 1 7.521 0.002 . 1 . . . . 65 THR H . 18820 1 593 . 1 1 65 65 THR HA H 1 4.833 0.03 . 1 . . . . 65 THR HA . 18820 1 594 . 1 1 65 65 THR HB H 1 4.188 0.03 . 1 . . . . 65 THR HB . 18820 1 595 . 1 1 65 65 THR HG21 H 1 0.902 0.03 . 1 . . . . 65 THR HG21 . 18820 1 596 . 1 1 65 65 THR HG22 H 1 0.902 0.03 . 1 . . . . 65 THR HG22 . 18820 1 597 . 1 1 65 65 THR HG23 H 1 0.902 0.03 . 1 . . . . 65 THR HG23 . 18820 1 598 . 1 1 65 65 THR C C 13 174.943 0.3 . 1 . . . . 65 THR C . 18820 1 599 . 1 1 65 65 THR CA C 13 57.939 0.3 . 1 . . . . 65 THR CA . 18820 1 600 . 1 1 65 65 THR CB C 13 73.674 0.3 . 1 . . . . 65 THR CB . 18820 1 601 . 1 1 65 65 THR N N 15 127.033 0.029 . 1 . . . . 65 THR N . 18820 1 602 . 1 1 66 66 VAL H H 1 7.584 0.002 . 1 . . . . 66 VAL H . 18820 1 603 . 1 1 66 66 VAL HA H 1 3.395 0.03 . 1 . . . . 66 VAL HA . 18820 1 604 . 1 1 66 66 VAL HB H 1 2.468 0.03 . 1 . . . . 66 VAL HB . 18820 1 605 . 1 1 66 66 VAL HG11 H 1 0.828 0.03 . 1 . . . . 66 VAL HG11 . 18820 1 606 . 1 1 66 66 VAL HG12 H 1 0.828 0.03 . 1 . . . . 66 VAL HG12 . 18820 1 607 . 1 1 66 66 VAL HG13 H 1 0.828 0.03 . 1 . . . . 66 VAL HG13 . 18820 1 608 . 1 1 66 66 VAL HG21 H 1 1.012 0.03 . 1 . . . . 66 VAL HG21 . 18820 1 609 . 1 1 66 66 VAL HG22 H 1 1.012 0.03 . 1 . . . . 66 VAL HG22 . 18820 1 610 . 1 1 66 66 VAL HG23 H 1 1.012 0.03 . 1 . . . . 66 VAL HG23 . 18820 1 611 . 1 1 66 66 VAL C C 13 177.437 0.3 . 1 . . . . 66 VAL C . 18820 1 612 . 1 1 66 66 VAL CA C 13 67.581 0.3 . 1 . . . . 66 VAL CA . 18820 1 613 . 1 1 66 66 VAL N N 15 120.796 0.001 . 1 . . . . 66 VAL N . 18820 1 614 . 1 1 67 67 ARG H H 1 8.817 0.003 . 1 . . . . 67 ARG H . 18820 1 615 . 1 1 67 67 ARG HA H 1 3.704 0.03 . 1 . . . . 67 ARG HA . 18820 1 616 . 1 1 67 67 ARG HB2 H 1 1.856 0.03 . 1 . . . . 67 ARG HB2 . 18820 1 617 . 1 1 67 67 ARG HB3 H 1 1.856 0.03 . 1 . . . . 67 ARG HB3 . 18820 1 618 . 1 1 67 67 ARG HG2 H 1 1.471 0.03 . 1 . . . . 67 ARG HG2 . 18820 1 619 . 1 1 67 67 ARG HG3 H 1 1.533 0.03 . 1 . . . . 67 ARG HG3 . 18820 1 620 . 1 1 67 67 ARG HD2 H 1 2.937 0.03 . 1 . . . . 67 ARG HD2 . 18820 1 621 . 1 1 67 67 ARG HD3 H 1 3.257 0.03 . 1 . . . . 67 ARG HD3 . 18820 1 622 . 1 1 67 67 ARG C C 13 177.430 0.3 . 1 . . . . 67 ARG C . 18820 1 623 . 1 1 67 67 ARG CA C 13 59.385 0.3 . 1 . . . . 67 ARG CA . 18820 1 624 . 1 1 67 67 ARG N N 15 119.376 0.002 . 1 . . . . 67 ARG N . 18820 1 625 . 1 1 68 68 GLN H H 1 7.613 0.002 . 1 . . . . 68 GLN H . 18820 1 626 . 1 1 68 68 GLN HA H 1 4.075 0.03 . 1 . . . . 68 GLN HA . 18820 1 627 . 1 1 68 68 GLN HB3 H 1 2.000 0.03 . 1 . . . . 68 GLN HB3 . 18820 1 628 . 1 1 68 68 GLN HG2 H 1 2.315 0.03 . 1 . . . . 68 GLN HG2 . 18820 1 629 . 1 1 68 68 GLN HG3 H 1 2.507 0.03 . 1 . . . . 68 GLN HG3 . 18820 1 630 . 1 1 68 68 GLN C C 13 179.220 0.3 . 1 . . . . 68 GLN C . 18820 1 631 . 1 1 68 68 GLN CA C 13 58.406 0.3 . 1 . . . . 68 GLN CA . 18820 1 632 . 1 1 68 68 GLN N N 15 115.902 0.002 . 1 . . . . 68 GLN N . 18820 1 633 . 1 1 69 69 ALA H H 1 7.939 0.002 . 1 . . . . 69 ALA H . 18820 1 634 . 1 1 69 69 ALA HA H 1 3.964 0.03 . 1 . . . . 69 ALA HA . 18820 1 635 . 1 1 69 69 ALA HB1 H 1 1.476 0.03 . 1 . . . . 69 ALA HB1 . 18820 1 636 . 1 1 69 69 ALA HB2 H 1 1.476 0.03 . 1 . . . . 69 ALA HB2 . 18820 1 637 . 1 1 69 69 ALA HB3 H 1 1.476 0.03 . 1 . . . . 69 ALA HB3 . 18820 1 638 . 1 1 69 69 ALA C C 13 178.034 0.3 . 1 . . . . 69 ALA C . 18820 1 639 . 1 1 69 69 ALA CA C 13 55.654 0.3 . 1 . . . . 69 ALA CA . 18820 1 640 . 1 1 69 69 ALA N N 15 122.109 0.3 . 1 . . . . 69 ALA N . 18820 1 641 . 1 1 70 70 ILE H H 1 8.016 0.001 . 1 . . . . 70 ILE H . 18820 1 642 . 1 1 70 70 ILE HA H 1 3.301 0.03 . 1 . . . . 70 ILE HA . 18820 1 643 . 1 1 70 70 ILE HB H 1 1.838 0.03 . 1 . . . . 70 ILE HB . 18820 1 644 . 1 1 70 70 ILE C C 13 177.123 0.3 . 1 . . . . 70 ILE C . 18820 1 645 . 1 1 70 70 ILE CA C 13 66.051 0.3 . 1 . . . . 70 ILE CA . 18820 1 646 . 1 1 70 70 ILE N N 15 117.222 0.006 . 1 . . . . 70 ILE N . 18820 1 647 . 1 1 71 71 ASP H H 1 8.677 0.003 . 1 . . . . 71 ASP H . 18820 1 648 . 1 1 71 71 ASP HA H 1 4.216 0.03 . 1 . . . . 71 ASP HA . 18820 1 649 . 1 1 71 71 ASP HB2 H 1 2.498 0.03 . 1 . . . . 71 ASP HB2 . 18820 1 650 . 1 1 71 71 ASP HB3 H 1 2.551 0.03 . 1 . . . . 71 ASP HB3 . 18820 1 651 . 1 1 71 71 ASP C C 13 179.239 0.3 . 1 . . . . 71 ASP C . 18820 1 652 . 1 1 71 71 ASP CA C 13 57.449 0.3 . 1 . . . . 71 ASP CA . 18820 1 653 . 1 1 71 71 ASP N N 15 119.242 0.001 . 1 . . . . 71 ASP N . 18820 1 654 . 1 1 72 72 TYR H H 1 7.855 0.001 . 1 . . . . 72 TYR H . 18820 1 655 . 1 1 72 72 TYR HA H 1 4.000 0.002 . 1 . . . . 72 TYR HA . 18820 1 656 . 1 1 72 72 TYR HB2 H 1 2.972 0.006 . 1 . . . . 72 TYR HB2 . 18820 1 657 . 1 1 72 72 TYR HB3 H 1 2.991 0.011 . 1 . . . . 72 TYR HB3 . 18820 1 658 . 1 1 72 72 TYR HD1 H 1 6.874 0.003 . 3 . . . . 72 TYR HD1 . 18820 1 659 . 1 1 72 72 TYR HD2 H 1 6.874 0.003 . 3 . . . . 72 TYR HD2 . 18820 1 660 . 1 1 72 72 TYR HE1 H 1 6.544 0.001 . 3 . . . . 72 TYR HE1 . 18820 1 661 . 1 1 72 72 TYR HE2 H 1 6.544 0.001 . 3 . . . . 72 TYR HE2 . 18820 1 662 . 1 1 72 72 TYR C C 13 178.351 0.3 . 1 . . . . 72 TYR C . 18820 1 663 . 1 1 72 72 TYR CA C 13 61.673 0.029 . 1 . . . . 72 TYR CA . 18820 1 664 . 1 1 72 72 TYR CB C 13 38.353 0.3 . 1 . . . . 72 TYR CB . 18820 1 665 . 1 1 72 72 TYR CD1 C 13 130.516 0.030 . 3 . . . . 72 TYR CD1 . 18820 1 666 . 1 1 72 72 TYR CD2 C 13 130.516 0.030 . 3 . . . . 72 TYR CD2 . 18820 1 667 . 1 1 72 72 TYR CE1 C 13 116.071 0.035 . 3 . . . . 72 TYR CE1 . 18820 1 668 . 1 1 72 72 TYR CE2 C 13 116.071 0.035 . 3 . . . . 72 TYR CE2 . 18820 1 669 . 1 1 72 72 TYR N N 15 118.727 0.002 . 1 . . . . 72 TYR N . 18820 1 670 . 1 1 73 73 LEU H H 1 7.869 0.002 . 1 . . . . 73 LEU H . 18820 1 671 . 1 1 73 73 LEU HA H 1 3.707 0.03 . 1 . . . . 73 LEU HA . 18820 1 672 . 1 1 73 73 LEU HB2 H 1 1.743 0.03 . 1 . . . . 73 LEU HB2 . 18820 1 673 . 1 1 73 73 LEU HB3 H 1 1.743 0.03 . 1 . . . . 73 LEU HB3 . 18820 1 674 . 1 1 73 73 LEU HD11 H 1 0.805 0.03 . 1 . . . . 73 LEU HD11 . 18820 1 675 . 1 1 73 73 LEU HD12 H 1 0.805 0.03 . 1 . . . . 73 LEU HD12 . 18820 1 676 . 1 1 73 73 LEU HD13 H 1 0.805 0.03 . 1 . . . . 73 LEU HD13 . 18820 1 677 . 1 1 73 73 LEU HD21 H 1 0.468 0.007 . 1 . . . . 73 LEU HD21 . 18820 1 678 . 1 1 73 73 LEU HD22 H 1 0.468 0.007 . 1 . . . . 73 LEU HD22 . 18820 1 679 . 1 1 73 73 LEU HD23 H 1 0.468 0.007 . 1 . . . . 73 LEU HD23 . 18820 1 680 . 1 1 73 73 LEU C C 13 178.073 0.3 . 1 . . . . 73 LEU C . 18820 1 681 . 1 1 73 73 LEU CA C 13 57.621 0.080 . 1 . . . . 73 LEU CA . 18820 1 682 . 1 1 73 73 LEU CB C 13 41.839 0.3 . 1 . . . . 73 LEU CB . 18820 1 683 . 1 1 73 73 LEU N N 15 120.255 0.009 . 1 . . . . 73 LEU N . 18820 1 684 . 1 1 74 74 GLU H H 1 8.552 0.004 . 1 . . . . 74 GLU H . 18820 1 685 . 1 1 74 74 GLU HA H 1 3.814 0.03 . 1 . . . . 74 GLU HA . 18820 1 686 . 1 1 74 74 GLU HB2 H 1 1.984 0.004 . 1 . . . . 74 GLU HB2 . 18820 1 687 . 1 1 74 74 GLU HB3 H 1 1.984 0.004 . 1 . . . . 74 GLU HB3 . 18820 1 688 . 1 1 74 74 GLU HG2 H 1 2.455 0.03 . 1 . . . . 74 GLU HG2 . 18820 1 689 . 1 1 74 74 GLU HG3 H 1 2.321 0.03 . 1 . . . . 74 GLU HG3 . 18820 1 690 . 1 1 74 74 GLU C C 13 178.168 0.3 . 1 . . . . 74 GLU C . 18820 1 691 . 1 1 74 74 GLU CA C 13 58.904 0.038 . 1 . . . . 74 GLU CA . 18820 1 692 . 1 1 74 74 GLU CB C 13 28.768 0.3 . 1 . . . . 74 GLU CB . 18820 1 693 . 1 1 74 74 GLU CG C 13 35.069 0.004 . 1 . . . . 74 GLU CG . 18820 1 694 . 1 1 74 74 GLU N N 15 117.290 0.014 . 1 . . . . 74 GLU N . 18820 1 695 . 1 1 75 75 GLU H H 1 7.124 0.003 . 1 . . . . 75 GLU H . 18820 1 696 . 1 1 75 75 GLU HA H 1 4.132 0.011 . 1 . . . . 75 GLU HA . 18820 1 697 . 1 1 75 75 GLU HB3 H 1 1.966 0.001 . 1 . . . . 75 GLU HB3 . 18820 1 698 . 1 1 75 75 GLU HG2 H 1 2.245 0.03 . 1 . . . . 75 GLU HG2 . 18820 1 699 . 1 1 75 75 GLU C C 13 176.642 0.3 . 1 . . . . 75 GLU C . 18820 1 700 . 1 1 75 75 GLU CA C 13 56.764 0.064 . 1 . . . . 75 GLU CA . 18820 1 701 . 1 1 75 75 GLU CB C 13 30.053 0.025 . 1 . . . . 75 GLU CB . 18820 1 702 . 1 1 75 75 GLU CG C 13 36.065 0.016 . 1 . . . . 75 GLU CG . 18820 1 703 . 1 1 75 75 GLU N N 15 115.589 0.007 . 1 . . . . 75 GLU N . 18820 1 704 . 1 1 76 76 ALA H H 1 7.488 0.002 . 1 . . . . 76 ALA H . 18820 1 705 . 1 1 76 76 ALA HA H 1 4.130 0.007 . 1 . . . . 76 ALA HA . 18820 1 706 . 1 1 76 76 ALA HB1 H 1 1.163 0.007 . 1 . . . . 76 ALA HB1 . 18820 1 707 . 1 1 76 76 ALA HB2 H 1 1.163 0.007 . 1 . . . . 76 ALA HB2 . 18820 1 708 . 1 1 76 76 ALA HB3 H 1 1.163 0.007 . 1 . . . . 76 ALA HB3 . 18820 1 709 . 1 1 76 76 ALA C C 13 177.811 0.3 . 1 . . . . 76 ALA C . 18820 1 710 . 1 1 76 76 ALA CA C 13 53.105 0.049 . 1 . . . . 76 ALA CA . 18820 1 711 . 1 1 76 76 ALA CB C 13 20.256 0.087 . 1 . . . . 76 ALA CB . 18820 1 712 . 1 1 76 76 ALA N N 15 121.563 0.001 . 1 . . . . 76 ALA N . 18820 1 713 . 1 1 77 77 VAL H H 1 7.885 0.003 . 1 . . . . 77 VAL H . 18820 1 714 . 1 1 77 77 VAL CA C 13 60.724 0.029 . 1 . . . . 77 VAL CA . 18820 1 715 . 1 1 77 77 VAL CB C 13 32.080 0.3 . 1 . . . . 77 VAL CB . 18820 1 716 . 1 1 77 77 VAL N N 15 119.233 0.015 . 1 . . . . 77 VAL N . 18820 1 stop_ save_