data_18819 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18819 _Entry.Title ; 1H, 13C and 15N assignments of the Apo-acyl carrier protein-3 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. . 18819 2 Brendan Duggan . . . 18819 3 Amancio Roca . . . 18819 4 Yong-Mei Zhang . . . 18819 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' . 18819 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18819 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 18819 '15N chemical shifts' 81 18819 '1H chemical shifts' 555 18819 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 3 . . 2014-02-17 2012-11-05 update BMRB 'update chemical shift table' 18819 2 . . 2013-07-19 2012-11-05 update author 'update chemical shift table' 18819 1 . . 2012-12-04 2012-11-05 original author 'original release' 18819 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18820 ApoAcpP-1 18819 BMRB 18821 ApoAcpP 18819 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18819 _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 . . . 18819 1 2 William Gaines . A. . 18819 1 3 Brendan Duggan . M. . 18819 1 4 William Marcotte . R. Jr. 18819 1 5 Mirko Hennig . . . 18819 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18819 _Assembly.ID 1 _Assembly.Name ApoAcpP-3 _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-3 1 $ApoAcpP-3 A . yes native no no . . . 18819 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ApoAcpP-3 _Entity.Sf_category entity _Entity.Sf_framecode ApoAcpP-3 _Entity.Entry_ID 18819 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ApoAcpP-3 _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 ; GSHMPNDMEDHLLTVLSVAS GVPKEEISRDSRMEDLAFDS LVVSELSLKLRKEFGVTGVD DELDLLETVDELFQLVEKHR AA ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 18468 . PaT415 . . . . . 97.56 103 100.00 100.00 1.14e-46 . . . . 18819 1 2 no PDB 2LTE . "Solution Nmr Structure Of The Specialized Acyl Carrier Protein Pa3334 (Apo) From Pseudomonas Aeruginosa, Northeast Structural G" . . . . . 97.56 103 100.00 100.00 1.14e-46 . . . . 18819 1 3 no DBJ BAK91288 . "putative acyl carrier protein [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 96.34 79 98.73 100.00 9.46e-46 . . . . 18819 1 4 no DBJ BAP22043 . "putative acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 96.34 79 98.73 100.00 9.46e-46 . . . . 18819 1 5 no DBJ BAP49673 . "putative acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 96.34 79 98.73 100.00 9.46e-46 . . . . 18819 1 6 no DBJ BAQ38558 . "putative acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 7 no DBJ BAR66624 . "acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 8 no EMBL CAW26458 . "probable acyl carrier protein [Pseudomonas aeruginosa LESB58]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 9 no EMBL CCQ85541 . "Acyl carrier protein [Pseudomonas aeruginosa 18A]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 10 no EMBL CDH69992 . "hypothetical protein P38_1696 [Pseudomonas aeruginosa MH38]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 11 no EMBL CDH76078 . "hypothetical protein PAMH27_1662 [Pseudomonas aeruginosa MH27]" . . . . . 96.34 79 98.73 100.00 9.46e-46 . . . . 18819 1 12 no EMBL CDI91738 . "putative acyl carrier protein [Pseudomonas aeruginosa PA38182]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 13 no GB AAG06722 . "probable acyl carrier protein [Pseudomonas aeruginosa PAO1]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 14 no GB ABJ12585 . "putative acyl carrier protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 15 no GB AEO74118 . "putative acyl carrier protein [Pseudomonas aeruginosa M18]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 16 no GB AFM63813 . "putative acyl carrier protein [Pseudomonas aeruginosa DK2]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 17 no GB AGI80541 . "acyl carrier protein [Pseudomonas aeruginosa B136-33]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 18 no REF NP_252024 . "acyl carrier protein [Pseudomonas aeruginosa PAO1]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 19 no REF WP_003091713 . "MULTISPECIES: acyl carrier protein [Pseudomonas]" . . . . . 96.34 79 98.73 100.00 9.46e-46 . . . . 18819 1 20 no REF WP_003106204 . "MULTISPECIES: acyl carrier protein [Pseudomonas]" . . . . . 96.34 79 100.00 100.00 7.13e-46 . . . . 18819 1 21 no REF WP_034068812 . "acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 96.34 79 98.73 100.00 2.21e-45 . . . . 18819 1 22 no REF WP_039700511 . "acyl carrier protein [Pseudomonas aeruginosa]" . . . . . 96.34 79 98.73 98.73 1.58e-44 . . . . 18819 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.' 18819 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 . GLY . 18819 1 2 . SER . 18819 1 3 . HIS . 18819 1 4 . MET . 18819 1 5 . PRO . 18819 1 6 . ASN . 18819 1 7 . ASP . 18819 1 8 . MET . 18819 1 9 . GLU . 18819 1 10 . ASP . 18819 1 11 . HIS . 18819 1 12 . LEU . 18819 1 13 . LEU . 18819 1 14 . THR . 18819 1 15 . VAL . 18819 1 16 . LEU . 18819 1 17 . SER . 18819 1 18 . VAL . 18819 1 19 . ALA . 18819 1 20 . SER . 18819 1 21 . GLY . 18819 1 22 . VAL . 18819 1 23 . PRO . 18819 1 24 . LYS . 18819 1 25 . GLU . 18819 1 26 . GLU . 18819 1 27 . ILE . 18819 1 28 . SER . 18819 1 29 . ARG . 18819 1 30 . ASP . 18819 1 31 . SER . 18819 1 32 . ARG . 18819 1 33 . MET . 18819 1 34 . GLU . 18819 1 35 . ASP . 18819 1 36 . LEU . 18819 1 37 . ALA . 18819 1 38 . PHE . 18819 1 39 . ASP . 18819 1 40 . SER . 18819 1 41 . LEU . 18819 1 42 . VAL . 18819 1 43 . VAL . 18819 1 44 . SER . 18819 1 45 . GLU . 18819 1 46 . LEU . 18819 1 47 . SER . 18819 1 48 . LEU . 18819 1 49 . LYS . 18819 1 50 . LEU . 18819 1 51 . ARG . 18819 1 52 . LYS . 18819 1 53 . GLU . 18819 1 54 . PHE . 18819 1 55 . GLY . 18819 1 56 . VAL . 18819 1 57 . THR . 18819 1 58 . GLY . 18819 1 59 . VAL . 18819 1 60 . ASP . 18819 1 61 . ASP . 18819 1 62 . GLU . 18819 1 63 . LEU . 18819 1 64 . ASP . 18819 1 65 . LEU . 18819 1 66 . LEU . 18819 1 67 . GLU . 18819 1 68 . THR . 18819 1 69 . VAL . 18819 1 70 . ASP . 18819 1 71 . GLU . 18819 1 72 . LEU . 18819 1 73 . PHE . 18819 1 74 . GLN . 18819 1 75 . LEU . 18819 1 76 . VAL . 18819 1 77 . GLU . 18819 1 78 . LYS . 18819 1 79 . HIS . 18819 1 80 . ARG . 18819 1 81 . ALA . 18819 1 82 . ALA . 18819 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18819 1 . SER 2 2 18819 1 . HIS 3 3 18819 1 . MET 4 4 18819 1 . PRO 5 5 18819 1 . ASN 6 6 18819 1 . ASP 7 7 18819 1 . MET 8 8 18819 1 . GLU 9 9 18819 1 . ASP 10 10 18819 1 . HIS 11 11 18819 1 . LEU 12 12 18819 1 . LEU 13 13 18819 1 . THR 14 14 18819 1 . VAL 15 15 18819 1 . LEU 16 16 18819 1 . SER 17 17 18819 1 . VAL 18 18 18819 1 . ALA 19 19 18819 1 . SER 20 20 18819 1 . GLY 21 21 18819 1 . VAL 22 22 18819 1 . PRO 23 23 18819 1 . LYS 24 24 18819 1 . GLU 25 25 18819 1 . GLU 26 26 18819 1 . ILE 27 27 18819 1 . SER 28 28 18819 1 . ARG 29 29 18819 1 . ASP 30 30 18819 1 . SER 31 31 18819 1 . ARG 32 32 18819 1 . MET 33 33 18819 1 . GLU 34 34 18819 1 . ASP 35 35 18819 1 . LEU 36 36 18819 1 . ALA 37 37 18819 1 . PHE 38 38 18819 1 . ASP 39 39 18819 1 . SER 40 40 18819 1 . LEU 41 41 18819 1 . VAL 42 42 18819 1 . VAL 43 43 18819 1 . SER 44 44 18819 1 . GLU 45 45 18819 1 . LEU 46 46 18819 1 . SER 47 47 18819 1 . LEU 48 48 18819 1 . LYS 49 49 18819 1 . LEU 50 50 18819 1 . ARG 51 51 18819 1 . LYS 52 52 18819 1 . GLU 53 53 18819 1 . PHE 54 54 18819 1 . GLY 55 55 18819 1 . VAL 56 56 18819 1 . THR 57 57 18819 1 . GLY 58 58 18819 1 . VAL 59 59 18819 1 . ASP 60 60 18819 1 . ASP 61 61 18819 1 . GLU 62 62 18819 1 . LEU 63 63 18819 1 . ASP 64 64 18819 1 . LEU 65 65 18819 1 . LEU 66 66 18819 1 . GLU 67 67 18819 1 . THR 68 68 18819 1 . VAL 69 69 18819 1 . ASP 70 70 18819 1 . GLU 71 71 18819 1 . LEU 72 72 18819 1 . PHE 73 73 18819 1 . GLN 74 74 18819 1 . LEU 75 75 18819 1 . VAL 76 76 18819 1 . GLU 77 77 18819 1 . LYS 78 78 18819 1 . HIS 79 79 18819 1 . ARG 80 80 18819 1 . ALA 81 81 18819 1 . ALA 82 82 18819 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 18819 _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-3 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 18819 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 18819 _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-3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET14b . . . . . . 18819 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-ApoAcpP-3 _Sample.Sf_category sample _Sample.Sf_framecode 15N-ApoAcpP-3 _Sample.Entry_ID 18819 _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-3 '[U-99% 15N]' . . 1 $ApoAcpP-3 . . 1.0 . . mM . . . . 18819 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18819 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18819 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18819 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18819 1 stop_ save_ save_13C15N-ApoAcpP-3 _Sample.Sf_category sample _Sample.Sf_framecode 13C15N-ApoAcpP-3 _Sample.Entry_ID 18819 _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-3 '[U-99% 13C; U-99% 15N]' . . 1 $ApoAcpP-3 . . 1.0 . . mM . . . . 18819 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18819 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18819 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18819 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18819 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 18819 _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 18819 1 pH 7.0 . pH 18819 1 pressure 1 . atm 18819 1 temperature 298 . K 18819 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 18819 _Software.ID 1 _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 . . 18819 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18819 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18819 _Software.ID 2 _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' . . 18819 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18819 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 18819 _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 18819 _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 18819 _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 . . . 18819 1 2 MUSC850 Bruker Avance . 850 . . . 18819 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 18819 _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-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 3 '3D HNCACB' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 4 '3D HNCO' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 6 '3D H(CCO)NH' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 1 $MUSC600 . . . . . . . . . . . . . . . . 18819 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 2 $MUSC850 . . . . . . . . . . . . . . . . 18819 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 2 $MUSC850 . . . . . . . . . . . . . . . . 18819 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $13C15N-ApoAcpP-3 isotropic . . 1 $sample_conditions_1 . . . 2 $MUSC850 . . . . . . . . . . . . . . . . 18819 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 18819 _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 . . . . . . . . . 18819 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18819 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18819 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 18819 _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' . . . 18819 1 2 '3D CBCA(CO)NH' . . . 18819 1 3 '3D HNCACB' . . . 18819 1 4 '3D HNCO' . . . 18819 1 5 '3D HBHA(CO)NH' . . . 18819 1 6 '3D H(CCO)NH' . . . 18819 1 7 '3D HCCH-TOCSY' . . . 18819 1 8 '2D 1H-13C HSQC aliphatic' . . . 18819 1 9 '2D 1H-13C HSQC aromatic' . . . 18819 1 10 '3D 1H-15N NOESY' . . . 18819 1 11 '3D 1H-13C NOESY aliphatic' . . . 18819 1 12 '3D 1H-13C NOESY aromatic' . . . 18819 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.364 0.001 . 1 . . . . 3 HIS HA . 18819 1 2 . 1 1 3 3 HIS HB3 H 1 2.431 0.03 . 1 . . . . 3 HIS HB3 . 18819 1 3 . 1 1 3 3 HIS C C 13 175.828 0.3 . 1 . . . . 3 HIS C . 18819 1 4 . 1 1 3 3 HIS CA C 13 55.525 0.043 . 1 . . . . 3 HIS CA . 18819 1 5 . 1 1 3 3 HIS CB C 13 31.595 0.066 . 1 . . . . 3 HIS CB . 18819 1 6 . 1 1 4 4 MET H H 1 8.607 0.003 . 1 . . . . 4 MET H . 18819 1 7 . 1 1 4 4 MET CA C 13 53.645 0.3 . 1 . . . . 4 MET CA . 18819 1 8 . 1 1 4 4 MET CB C 13 32.844 0.3 . 1 . . . . 4 MET CB . 18819 1 9 . 1 1 4 4 MET N N 15 123.318 0.108 . 1 . . . . 4 MET N . 18819 1 10 . 1 1 5 5 PRO HA H 1 4.377 0.002 . 1 . . . . 5 PRO HA . 18819 1 11 . 1 1 5 5 PRO HB2 H 1 2.243 0.03 . 1 . . . . 5 PRO HB2 . 18819 1 12 . 1 1 5 5 PRO HB3 H 1 2.246 0.03 . 1 . . . . 5 PRO HB3 . 18819 1 13 . 1 1 5 5 PRO HG2 H 1 1.914 0.03 . 1 . . . . 5 PRO HG2 . 18819 1 14 . 1 1 5 5 PRO HG3 H 1 1.979 0.03 . 1 . . . . 5 PRO HG3 . 18819 1 15 . 1 1 5 5 PRO HD2 H 1 3.647 0.001 . 1 . . . . 5 PRO HD2 . 18819 1 16 . 1 1 5 5 PRO HD3 H 1 3.797 0.005 . 1 . . . . 5 PRO HD3 . 18819 1 17 . 1 1 5 5 PRO C C 13 177.149 0.3 . 1 . . . . 5 PRO C . 18819 1 18 . 1 1 5 5 PRO CA C 13 63.401 0.070 . 1 . . . . 5 PRO CA . 18819 1 19 . 1 1 5 5 PRO CB C 13 32.225 0.019 . 1 . . . . 5 PRO CB . 18819 1 20 . 1 1 5 5 PRO CG C 13 27.552 0.3 . 1 . . . . 5 PRO CG . 18819 1 21 . 1 1 5 5 PRO CD C 13 50.714 0.048 . 1 . . . . 5 PRO CD . 18819 1 22 . 1 1 6 6 ASN H H 1 8.669 0.002 . 1 . . . . 6 ASN H . 18819 1 23 . 1 1 6 6 ASN HA H 1 4.492 0.003 . 1 . . . . 6 ASN HA . 18819 1 24 . 1 1 6 6 ASN HB2 H 1 2.798 0.03 . 1 . . . . 6 ASN HB2 . 18819 1 25 . 1 1 6 6 ASN HB3 H 1 2.800 0.002 . 1 . . . . 6 ASN HB3 . 18819 1 26 . 1 1 6 6 ASN HD21 H 1 6.854 0.003 . 1 . . . . 6 ASN HD21 . 18819 1 27 . 1 1 6 6 ASN HD22 H 1 7.549 0.003 . 1 . . . . 6 ASN HD22 . 18819 1 28 . 1 1 6 6 ASN C C 13 175.707 0.3 . 1 . . . . 6 ASN C . 18819 1 29 . 1 1 6 6 ASN CA C 13 54.346 0.016 . 1 . . . . 6 ASN CA . 18819 1 30 . 1 1 6 6 ASN CB C 13 38.326 0.040 . 1 . . . . 6 ASN CB . 18819 1 31 . 1 1 6 6 ASN N N 15 119.415 0.054 . 1 . . . . 6 ASN N . 18819 1 32 . 1 1 6 6 ASN ND2 N 15 112.566 0.067 . 1 . . . . 6 ASN ND2 . 18819 1 33 . 1 1 7 7 ASP H H 1 8.338 0.001 . 1 . . . . 7 ASP H . 18819 1 34 . 1 1 7 7 ASP HA H 1 4.419 0.002 . 1 . . . . 7 ASP HA . 18819 1 35 . 1 1 7 7 ASP HB2 H 1 2.645 0.002 . 1 . . . . 7 ASP HB2 . 18819 1 36 . 1 1 7 7 ASP HB3 H 1 2.647 0.03 . 1 . . . . 7 ASP HB3 . 18819 1 37 . 1 1 7 7 ASP C C 13 177.517 0.3 . 1 . . . . 7 ASP C . 18819 1 38 . 1 1 7 7 ASP CA C 13 56.149 0.061 . 1 . . . . 7 ASP CA . 18819 1 39 . 1 1 7 7 ASP CB C 13 40.490 0.029 . 1 . . . . 7 ASP CB . 18819 1 40 . 1 1 7 7 ASP N N 15 119.343 0.070 . 1 . . . . 7 ASP N . 18819 1 41 . 1 1 8 8 MET H H 1 7.919 0.002 . 1 . . . . 8 MET H . 18819 1 42 . 1 1 8 8 MET CA C 13 59.267 0.3 . 1 . . . . 8 MET CA . 18819 1 43 . 1 1 8 8 MET CB C 13 32.796 0.3 . 1 . . . . 8 MET CB . 18819 1 44 . 1 1 8 8 MET N N 15 121.568 0.008 . 1 . . . . 8 MET N . 18819 1 45 . 1 1 9 9 GLU H H 1 8.250 0.03 . 1 . . . . 9 GLU H . 18819 1 46 . 1 1 9 9 GLU HA H 1 3.617 0.03 . 1 . . . . 9 GLU HA . 18819 1 47 . 1 1 9 9 GLU HB2 H 1 1.532 0.03 . 1 . . . . 9 GLU HB2 . 18819 1 48 . 1 1 9 9 GLU HB3 H 1 1.745 0.03 . 1 . . . . 9 GLU HB3 . 18819 1 49 . 1 1 9 9 GLU HG2 H 1 1.947 0.03 . 1 . . . . 9 GLU HG2 . 18819 1 50 . 1 1 9 9 GLU HG3 H 1 2.083 0.03 . 1 . . . . 9 GLU HG3 . 18819 1 51 . 1 1 9 9 GLU C C 13 177.944 0.3 . 1 . . . . 9 GLU C . 18819 1 52 . 1 1 9 9 GLU CA C 13 60.080 0.035 . 1 . . . . 9 GLU CA . 18819 1 53 . 1 1 9 9 GLU CB C 13 29.307 0.037 . 1 . . . . 9 GLU CB . 18819 1 54 . 1 1 9 9 GLU CG C 13 36.354 0.3 . 1 . . . . 9 GLU CG . 18819 1 55 . 1 1 10 10 ASP H H 1 8.273 0.003 . 1 . . . . 10 ASP H . 18819 1 56 . 1 1 10 10 ASP HA H 1 4.338 0.03 . 1 . . . . 10 ASP HA . 18819 1 57 . 1 1 10 10 ASP HB2 H 1 2.565 0.03 . 1 . . . . 10 ASP HB2 . 18819 1 58 . 1 1 10 10 ASP HB3 H 1 2.693 0.03 . 1 . . . . 10 ASP HB3 . 18819 1 59 . 1 1 10 10 ASP C C 13 178.994 0.3 . 1 . . . . 10 ASP C . 18819 1 60 . 1 1 10 10 ASP CA C 13 58.066 0.034 . 1 . . . . 10 ASP CA . 18819 1 61 . 1 1 10 10 ASP CB C 13 42.146 0.018 . 1 . . . . 10 ASP CB . 18819 1 62 . 1 1 10 10 ASP N N 15 117.806 0.014 . 1 . . . . 10 ASP N . 18819 1 63 . 1 1 11 11 HIS H H 1 8.284 0.007 . 1 . . . . 11 HIS H . 18819 1 64 . 1 1 11 11 HIS HA H 1 4.594 0.03 . 1 . . . . 11 HIS HA . 18819 1 65 . 1 1 11 11 HIS HB2 H 1 3.434 0.03 . 1 . . . . 11 HIS HB2 . 18819 1 66 . 1 1 11 11 HIS HB3 H 1 3.434 0.03 . 1 . . . . 11 HIS HB3 . 18819 1 67 . 1 1 11 11 HIS HD1 H 1 6.455 0.03 . 1 . . . . 11 HIS HD1 . 18819 1 68 . 1 1 11 11 HIS HD2 H 1 6.455 0.03 . 1 . . . . 11 HIS HD2 . 18819 1 69 . 1 1 11 11 HIS HE1 H 1 6.906 0.03 . 1 . . . . 11 HIS HE1 . 18819 1 70 . 1 1 11 11 HIS HE2 H 1 6.908 0.03 . 1 . . . . 11 HIS HE2 . 18819 1 71 . 1 1 11 11 HIS C C 13 177.787 0.3 . 1 . . . . 11 HIS C . 18819 1 72 . 1 1 11 11 HIS CA C 13 57.887 0.044 . 1 . . . . 11 HIS CA . 18819 1 73 . 1 1 11 11 HIS CB C 13 29.623 0.033 . 1 . . . . 11 HIS CB . 18819 1 74 . 1 1 11 11 HIS CD2 C 13 128.291 0.3 . 1 . . . . 11 HIS CD2 . 18819 1 75 . 1 1 11 11 HIS N N 15 119.191 0.141 . 1 . . . . 11 HIS N . 18819 1 76 . 1 1 12 12 LEU H H 1 8.703 0.001 . 1 . . . . 12 LEU H . 18819 1 77 . 1 1 12 12 LEU HA H 1 3.949 0.001 . 1 . . . . 12 LEU HA . 18819 1 78 . 1 1 12 12 LEU HB2 H 1 1.457 0.005 . 1 . . . . 12 LEU HB2 . 18819 1 79 . 1 1 12 12 LEU HB3 H 1 1.527 0.003 . 1 . . . . 12 LEU HB3 . 18819 1 80 . 1 1 12 12 LEU HG H 1 1.294 0.003 . 1 . . . . 12 LEU HG . 18819 1 81 . 1 1 12 12 LEU HD11 H 1 0.060 0.002 . 1 . . . . 12 LEU HD11 . 18819 1 82 . 1 1 12 12 LEU HD12 H 1 0.060 0.002 . 1 . . . . 12 LEU HD12 . 18819 1 83 . 1 1 12 12 LEU HD13 H 1 0.060 0.002 . 1 . . . . 12 LEU HD13 . 18819 1 84 . 1 1 12 12 LEU HD21 H 1 0.402 0.004 . 1 . . . . 12 LEU HD21 . 18819 1 85 . 1 1 12 12 LEU HD22 H 1 0.402 0.004 . 1 . . . . 12 LEU HD22 . 18819 1 86 . 1 1 12 12 LEU HD23 H 1 0.402 0.004 . 1 . . . . 12 LEU HD23 . 18819 1 87 . 1 1 12 12 LEU C C 13 178.372 0.3 . 1 . . . . 12 LEU C . 18819 1 88 . 1 1 12 12 LEU CA C 13 58.121 0.027 . 1 . . . . 12 LEU CA . 18819 1 89 . 1 1 12 12 LEU CB C 13 41.320 0.035 . 1 . . . . 12 LEU CB . 18819 1 90 . 1 1 12 12 LEU CG C 13 27.038 0.037 . 1 . . . . 12 LEU CG . 18819 1 91 . 1 1 12 12 LEU CD1 C 13 24.392 0.070 . 1 . . . . 12 LEU CD1 . 18819 1 92 . 1 1 12 12 LEU CD2 C 13 24.358 0.037 . 1 . . . . 12 LEU CD2 . 18819 1 93 . 1 1 12 12 LEU N N 15 121.251 0.005 . 1 . . . . 12 LEU N . 18819 1 94 . 1 1 13 13 LEU H H 1 8.603 0.002 . 1 . . . . 13 LEU H . 18819 1 95 . 1 1 13 13 LEU HA H 1 3.955 0.03 . 1 . . . . 13 LEU HA . 18819 1 96 . 1 1 13 13 LEU HB2 H 1 2.065 0.03 . 1 . . . . 13 LEU HB2 . 18819 1 97 . 1 1 13 13 LEU HB3 H 1 2.054 0.011 . 1 . . . . 13 LEU HB3 . 18819 1 98 . 1 1 13 13 LEU HG H 1 1.998 0.03 . 1 . . . . 13 LEU HG . 18819 1 99 . 1 1 13 13 LEU HD11 H 1 0.781 0.010 . 1 . . . . 13 LEU HD11 . 18819 1 100 . 1 1 13 13 LEU HD12 H 1 0.781 0.010 . 1 . . . . 13 LEU HD12 . 18819 1 101 . 1 1 13 13 LEU HD13 H 1 0.781 0.010 . 1 . . . . 13 LEU HD13 . 18819 1 102 . 1 1 13 13 LEU HD21 H 1 0.957 0.03 . 1 . . . . 13 LEU HD21 . 18819 1 103 . 1 1 13 13 LEU HD22 H 1 0.957 0.03 . 1 . . . . 13 LEU HD22 . 18819 1 104 . 1 1 13 13 LEU HD23 H 1 0.957 0.03 . 1 . . . . 13 LEU HD23 . 18819 1 105 . 1 1 13 13 LEU C C 13 179.193 0.3 . 1 . . . . 13 LEU C . 18819 1 106 . 1 1 13 13 LEU CA C 13 58.661 0.066 . 1 . . . . 13 LEU CA . 18819 1 107 . 1 1 13 13 LEU CB C 13 41.840 0.089 . 1 . . . . 13 LEU CB . 18819 1 108 . 1 1 13 13 LEU CG C 13 27.068 0.3 . 1 . . . . 13 LEU CG . 18819 1 109 . 1 1 13 13 LEU CD1 C 13 23.270 0.036 . 1 . . . . 13 LEU CD1 . 18819 1 110 . 1 1 13 13 LEU CD2 C 13 25.117 0.3 . 1 . . . . 13 LEU CD2 . 18819 1 111 . 1 1 13 13 LEU N N 15 119.123 0.014 . 1 . . . . 13 LEU N . 18819 1 112 . 1 1 14 14 THR H H 1 8.205 0.002 . 1 . . . . 14 THR H . 18819 1 113 . 1 1 14 14 THR HA H 1 4.545 0.008 . 1 . . . . 14 THR HA . 18819 1 114 . 1 1 14 14 THR HB H 1 3.766 0.005 . 1 . . . . 14 THR HB . 18819 1 115 . 1 1 14 14 THR HG21 H 1 1.215 0.004 . 1 . . . . 14 THR HG21 . 18819 1 116 . 1 1 14 14 THR HG22 H 1 1.215 0.004 . 1 . . . . 14 THR HG22 . 18819 1 117 . 1 1 14 14 THR HG23 H 1 1.215 0.004 . 1 . . . . 14 THR HG23 . 18819 1 118 . 1 1 14 14 THR C C 13 175.864 0.3 . 1 . . . . 14 THR C . 18819 1 119 . 1 1 14 14 THR CA C 13 68.549 0.111 . 1 . . . . 14 THR CA . 18819 1 120 . 1 1 14 14 THR CB C 13 67.977 0.3 . 1 . . . . 14 THR CB . 18819 1 121 . 1 1 14 14 THR CG2 C 13 21.440 0.087 . 1 . . . . 14 THR CG2 . 18819 1 122 . 1 1 14 14 THR N N 15 117.173 0.007 . 1 . . . . 14 THR N . 18819 1 123 . 1 1 15 15 VAL H H 1 8.058 0.002 . 1 . . . . 15 VAL H . 18819 1 124 . 1 1 15 15 VAL HA H 1 3.621 0.002 . 1 . . . . 15 VAL HA . 18819 1 125 . 1 1 15 15 VAL HB H 1 2.280 0.009 . 1 . . . . 15 VAL HB . 18819 1 126 . 1 1 15 15 VAL HG11 H 1 0.834 0.03 . 1 . . . . 15 VAL HG11 . 18819 1 127 . 1 1 15 15 VAL HG12 H 1 0.834 0.03 . 1 . . . . 15 VAL HG12 . 18819 1 128 . 1 1 15 15 VAL HG13 H 1 0.834 0.03 . 1 . . . . 15 VAL HG13 . 18819 1 129 . 1 1 15 15 VAL HG21 H 1 1.053 0.03 . 1 . . . . 15 VAL HG21 . 18819 1 130 . 1 1 15 15 VAL HG22 H 1 1.053 0.03 . 1 . . . . 15 VAL HG22 . 18819 1 131 . 1 1 15 15 VAL HG23 H 1 1.053 0.03 . 1 . . . . 15 VAL HG23 . 18819 1 132 . 1 1 15 15 VAL C C 13 178.448 0.3 . 1 . . . . 15 VAL C . 18819 1 133 . 1 1 15 15 VAL CA C 13 66.511 0.097 . 1 . . . . 15 VAL CA . 18819 1 134 . 1 1 15 15 VAL CB C 13 31.422 0.048 . 1 . . . . 15 VAL CB . 18819 1 135 . 1 1 15 15 VAL CG1 C 13 21.105 0.3 . 1 . . . . 15 VAL CG1 . 18819 1 136 . 1 1 15 15 VAL CG2 C 13 23.093 0.3 . 1 . . . . 15 VAL CG2 . 18819 1 137 . 1 1 15 15 VAL N N 15 120.989 0.004 . 1 . . . . 15 VAL N . 18819 1 138 . 1 1 16 16 LEU H H 1 8.399 0.002 . 1 . . . . 16 LEU H . 18819 1 139 . 1 1 16 16 LEU HA H 1 3.924 0.001 . 1 . . . . 16 LEU HA . 18819 1 140 . 1 1 16 16 LEU HB2 H 1 1.503 0.03 . 1 . . . . 16 LEU HB2 . 18819 1 141 . 1 1 16 16 LEU HB3 H 1 1.723 0.002 . 1 . . . . 16 LEU HB3 . 18819 1 142 . 1 1 16 16 LEU HG H 1 1.498 0.03 . 1 . . . . 16 LEU HG . 18819 1 143 . 1 1 16 16 LEU HD11 H 1 0.769 0.03 . 1 . . . . 16 LEU HD11 . 18819 1 144 . 1 1 16 16 LEU HD12 H 1 0.769 0.03 . 1 . . . . 16 LEU HD12 . 18819 1 145 . 1 1 16 16 LEU HD13 H 1 0.769 0.03 . 1 . . . . 16 LEU HD13 . 18819 1 146 . 1 1 16 16 LEU HD21 H 1 0.769 0.03 . 1 . . . . 16 LEU HD21 . 18819 1 147 . 1 1 16 16 LEU HD22 H 1 0.769 0.03 . 1 . . . . 16 LEU HD22 . 18819 1 148 . 1 1 16 16 LEU HD23 H 1 0.769 0.03 . 1 . . . . 16 LEU HD23 . 18819 1 149 . 1 1 16 16 LEU C C 13 179.494 0.3 . 1 . . . . 16 LEU C . 18819 1 150 . 1 1 16 16 LEU CA C 13 57.828 0.058 . 1 . . . . 16 LEU CA . 18819 1 151 . 1 1 16 16 LEU CB C 13 42.549 0.035 . 1 . . . . 16 LEU CB . 18819 1 152 . 1 1 16 16 LEU CG C 13 26.968 0.3 . 1 . . . . 16 LEU CG . 18819 1 153 . 1 1 16 16 LEU CD1 C 13 24.635 0.3 . 1 . . . . 16 LEU CD1 . 18819 1 154 . 1 1 16 16 LEU CD2 C 13 24.956 0.3 . 1 . . . . 16 LEU CD2 . 18819 1 155 . 1 1 16 16 LEU N N 15 119.233 0.016 . 1 . . . . 16 LEU N . 18819 1 156 . 1 1 17 17 SER H H 1 8.466 0.001 . 1 . . . . 17 SER H . 18819 1 157 . 1 1 17 17 SER HA H 1 4.321 0.001 . 1 . . . . 17 SER HA . 18819 1 158 . 1 1 17 17 SER HB2 H 1 3.890 0.002 . 1 . . . . 17 SER HB2 . 18819 1 159 . 1 1 17 17 SER HB3 H 1 4.083 0.001 . 1 . . . . 17 SER HB3 . 18819 1 160 . 1 1 17 17 SER C C 13 177.254 0.3 . 1 . . . . 17 SER C . 18819 1 161 . 1 1 17 17 SER CA C 13 60.591 0.055 . 1 . . . . 17 SER CA . 18819 1 162 . 1 1 17 17 SER CB C 13 63.745 0.061 . 1 . . . . 17 SER CB . 18819 1 163 . 1 1 17 17 SER N N 15 117.879 0.057 . 1 . . . . 17 SER N . 18819 1 164 . 1 1 18 18 VAL H H 1 8.485 0.001 . 1 . . . . 18 VAL H . 18819 1 165 . 1 1 18 18 VAL HA H 1 3.613 0.004 . 1 . . . . 18 VAL HA . 18819 1 166 . 1 1 18 18 VAL HB H 1 2.048 0.002 . 1 . . . . 18 VAL HB . 18819 1 167 . 1 1 18 18 VAL HG11 H 1 0.888 0.03 . 1 . . . . 18 VAL HG11 . 18819 1 168 . 1 1 18 18 VAL HG12 H 1 0.888 0.03 . 1 . . . . 18 VAL HG12 . 18819 1 169 . 1 1 18 18 VAL HG13 H 1 0.888 0.03 . 1 . . . . 18 VAL HG13 . 18819 1 170 . 1 1 18 18 VAL HG21 H 1 1.041 0.03 . 1 . . . . 18 VAL HG21 . 18819 1 171 . 1 1 18 18 VAL HG22 H 1 1.041 0.03 . 1 . . . . 18 VAL HG22 . 18819 1 172 . 1 1 18 18 VAL HG23 H 1 1.041 0.03 . 1 . . . . 18 VAL HG23 . 18819 1 173 . 1 1 18 18 VAL C C 13 178.866 0.3 . 1 . . . . 18 VAL C . 18819 1 174 . 1 1 18 18 VAL CA C 13 66.173 0.073 . 1 . . . . 18 VAL CA . 18819 1 175 . 1 1 18 18 VAL CB C 13 31.723 0.076 . 1 . . . . 18 VAL CB . 18819 1 176 . 1 1 18 18 VAL CG1 C 13 20.997 0.3 . 1 . . . . 18 VAL CG1 . 18819 1 177 . 1 1 18 18 VAL CG2 C 13 22.607 0.3 . 1 . . . . 18 VAL CG2 . 18819 1 178 . 1 1 18 18 VAL N N 15 120.839 0.064 . 1 . . . . 18 VAL N . 18819 1 179 . 1 1 19 19 ALA H H 1 8.071 0.001 . 1 . . . . 19 ALA H . 18819 1 180 . 1 1 19 19 ALA HA H 1 4.114 0.03 . 1 . . . . 19 ALA HA . 18819 1 181 . 1 1 19 19 ALA HB1 H 1 1.320 0.001 . 1 . . . . 19 ALA HB1 . 18819 1 182 . 1 1 19 19 ALA HB2 H 1 1.320 0.001 . 1 . . . . 19 ALA HB2 . 18819 1 183 . 1 1 19 19 ALA HB3 H 1 1.320 0.001 . 1 . . . . 19 ALA HB3 . 18819 1 184 . 1 1 19 19 ALA C C 13 177.957 0.3 . 1 . . . . 19 ALA C . 18819 1 185 . 1 1 19 19 ALA CA C 13 54.559 0.076 . 1 . . . . 19 ALA CA . 18819 1 186 . 1 1 19 19 ALA CB C 13 18.423 0.051 . 1 . . . . 19 ALA CB . 18819 1 187 . 1 1 19 19 ALA N N 15 119.238 0.008 . 1 . . . . 19 ALA N . 18819 1 188 . 1 1 20 20 SER H H 1 7.935 0.001 . 1 . . . . 20 SER H . 18819 1 189 . 1 1 20 20 SER HA H 1 4.329 0.002 . 1 . . . . 20 SER HA . 18819 1 190 . 1 1 20 20 SER HB2 H 1 3.745 0.001 . 1 . . . . 20 SER HB2 . 18819 1 191 . 1 1 20 20 SER HB3 H 1 4.222 0.001 . 1 . . . . 20 SER HB3 . 18819 1 192 . 1 1 20 20 SER C C 13 175.687 0.3 . 1 . . . . 20 SER C . 18819 1 193 . 1 1 20 20 SER CA C 13 59.776 0.067 . 1 . . . . 20 SER CA . 18819 1 194 . 1 1 20 20 SER CB C 13 66.738 0.069 . 1 . . . . 20 SER CB . 18819 1 195 . 1 1 20 20 SER N N 15 108.197 0.006 . 1 . . . . 20 SER N . 18819 1 196 . 1 1 21 21 GLY H H 1 8.149 0.002 . 1 . . . . 21 GLY H . 18819 1 197 . 1 1 21 21 GLY HA2 H 1 3.728 0.003 . 1 . . . . 21 GLY HA2 . 18819 1 198 . 1 1 21 21 GLY HA3 H 1 4.159 0.001 . 1 . . . . 21 GLY HA3 . 18819 1 199 . 1 1 21 21 GLY C C 13 173.787 0.3 . 1 . . . . 21 GLY C . 18819 1 200 . 1 1 21 21 GLY CA C 13 45.894 0.018 . 1 . . . . 21 GLY CA . 18819 1 201 . 1 1 21 21 GLY N N 15 112.553 0.006 . 1 . . . . 21 GLY N . 18819 1 202 . 1 1 22 22 VAL H H 1 7.936 0.001 . 1 . . . . 22 VAL H . 18819 1 203 . 1 1 22 22 VAL HA H 1 4.239 0.005 . 1 . . . . 22 VAL HA . 18819 1 204 . 1 1 22 22 VAL HB H 1 1.905 0.03 . 1 . . . . 22 VAL HB . 18819 1 205 . 1 1 22 22 VAL HG11 H 1 0.878 0.03 . 1 . . . . 22 VAL HG11 . 18819 1 206 . 1 1 22 22 VAL HG12 H 1 0.878 0.03 . 1 . . . . 22 VAL HG12 . 18819 1 207 . 1 1 22 22 VAL HG13 H 1 0.878 0.03 . 1 . . . . 22 VAL HG13 . 18819 1 208 . 1 1 22 22 VAL HG21 H 1 0.878 0.03 . 1 . . . . 22 VAL HG21 . 18819 1 209 . 1 1 22 22 VAL HG22 H 1 0.878 0.03 . 1 . . . . 22 VAL HG22 . 18819 1 210 . 1 1 22 22 VAL HG23 H 1 0.878 0.03 . 1 . . . . 22 VAL HG23 . 18819 1 211 . 1 1 22 22 VAL CA C 13 60.054 0.042 . 1 . . . . 22 VAL CA . 18819 1 212 . 1 1 22 22 VAL CB C 13 33.466 0.019 . 1 . . . . 22 VAL CB . 18819 1 213 . 1 1 22 22 VAL CG1 C 13 21.712 0.3 . 1 . . . . 22 VAL CG1 . 18819 1 214 . 1 1 22 22 VAL CG2 C 13 20.490 0.3 . 1 . . . . 22 VAL CG2 . 18819 1 215 . 1 1 22 22 VAL N N 15 125.275 0.010 . 1 . . . . 22 VAL N . 18819 1 216 . 1 1 23 23 PRO HA H 1 4.124 0.03 . 1 . . . . 23 PRO HA . 18819 1 217 . 1 1 23 23 PRO HB2 H 1 2.356 0.03 . 1 . . . . 23 PRO HB2 . 18819 1 218 . 1 1 23 23 PRO HB3 H 1 1.985 0.03 . 1 . . . . 23 PRO HB3 . 18819 1 219 . 1 1 23 23 PRO HG2 H 1 1.768 0.103 . 1 . . . . 23 PRO HG2 . 18819 1 220 . 1 1 23 23 PRO HG3 H 1 1.924 0.064 . 1 . . . . 23 PRO HG3 . 18819 1 221 . 1 1 23 23 PRO HD2 H 1 3.714 0.03 . 1 . . . . 23 PRO HD2 . 18819 1 222 . 1 1 23 23 PRO HD3 H 1 3.920 0.008 . 1 . . . . 23 PRO HD3 . 18819 1 223 . 1 1 23 23 PRO C C 13 177.066 0.3 . 1 . . . . 23 PRO C . 18819 1 224 . 1 1 23 23 PRO CA C 13 63.347 0.073 . 1 . . . . 23 PRO CA . 18819 1 225 . 1 1 23 23 PRO CB C 13 32.619 0.040 . 1 . . . . 23 PRO CB . 18819 1 226 . 1 1 23 23 PRO CG C 13 27.902 0.022 . 1 . . . . 23 PRO CG . 18819 1 227 . 1 1 23 23 PRO CD C 13 51.480 0.049 . 1 . . . . 23 PRO CD . 18819 1 228 . 1 1 24 24 LYS H H 1 8.407 0.001 . 1 . . . . 24 LYS H . 18819 1 229 . 1 1 24 24 LYS HA H 1 3.614 0.006 . 1 . . . . 24 LYS HA . 18819 1 230 . 1 1 24 24 LYS HB2 H 1 1.752 0.03 . 1 . . . . 24 LYS HB2 . 18819 1 231 . 1 1 24 24 LYS HB3 H 1 1.752 0.03 . 1 . . . . 24 LYS HB3 . 18819 1 232 . 1 1 24 24 LYS HG2 H 1 1.319 0.03 . 1 . . . . 24 LYS HG2 . 18819 1 233 . 1 1 24 24 LYS HG3 H 1 1.319 0.03 . 1 . . . . 24 LYS HG3 . 18819 1 234 . 1 1 24 24 LYS HD2 H 1 1.592 0.03 . 1 . . . . 24 LYS HD2 . 18819 1 235 . 1 1 24 24 LYS HD3 H 1 1.592 0.03 . 1 . . . . 24 LYS HD3 . 18819 1 236 . 1 1 24 24 LYS HE2 H 1 2.863 0.03 . 1 . . . . 24 LYS HE2 . 18819 1 237 . 1 1 24 24 LYS HE3 H 1 2.863 0.03 . 1 . . . . 24 LYS HE3 . 18819 1 238 . 1 1 24 24 LYS C C 13 178.018 0.3 . 1 . . . . 24 LYS C . 18819 1 239 . 1 1 24 24 LYS CA C 13 60.682 0.054 . 1 . . . . 24 LYS CA . 18819 1 240 . 1 1 24 24 LYS CB C 13 32.836 0.065 . 1 . . . . 24 LYS CB . 18819 1 241 . 1 1 24 24 LYS CG C 13 24.810 0.3 . 1 . . . . 24 LYS CG . 18819 1 242 . 1 1 24 24 LYS CD C 13 30.160 0.3 . 1 . . . . 24 LYS CD . 18819 1 243 . 1 1 24 24 LYS CE C 13 41.882 0.025 . 1 . . . . 24 LYS CE . 18819 1 244 . 1 1 24 24 LYS N N 15 125.206 0.077 . 1 . . . . 24 LYS N . 18819 1 245 . 1 1 25 25 GLU H H 1 9.159 0.002 . 1 . . . . 25 GLU H . 18819 1 246 . 1 1 25 25 GLU HA H 1 4.080 0.03 . 1 . . . . 25 GLU HA . 18819 1 247 . 1 1 25 25 GLU HB2 H 1 1.979 0.03 . 1 . . . . 25 GLU HB2 . 18819 1 248 . 1 1 25 25 GLU HB3 H 1 1.980 0.001 . 1 . . . . 25 GLU HB3 . 18819 1 249 . 1 1 25 25 GLU HG2 H 1 2.251 0.03 . 1 . . . . 25 GLU HG2 . 18819 1 250 . 1 1 25 25 GLU HG3 H 1 2.251 0.03 . 1 . . . . 25 GLU HG3 . 18819 1 251 . 1 1 25 25 GLU C C 13 177.184 0.3 . 1 . . . . 25 GLU C . 18819 1 252 . 1 1 25 25 GLU CA C 13 58.806 0.051 . 1 . . . . 25 GLU CA . 18819 1 253 . 1 1 25 25 GLU CB C 13 28.427 0.039 . 1 . . . . 25 GLU CB . 18819 1 254 . 1 1 25 25 GLU CG C 13 36.492 0.030 . 1 . . . . 25 GLU CG . 18819 1 255 . 1 1 25 25 GLU N N 15 114.515 0.006 . 1 . . . . 25 GLU N . 18819 1 256 . 1 1 26 26 GLU H H 1 7.907 0.002 . 1 . . . . 26 GLU H . 18819 1 257 . 1 1 26 26 GLU HA H 1 4.236 0.03 . 1 . . . . 26 GLU HA . 18819 1 258 . 1 1 26 26 GLU HB2 H 1 1.779 0.004 . 1 . . . . 26 GLU HB2 . 18819 1 259 . 1 1 26 26 GLU HB3 H 1 2.140 0.044 . 1 . . . . 26 GLU HB3 . 18819 1 260 . 1 1 26 26 GLU HG2 H 1 2.196 0.03 . 1 . . . . 26 GLU HG2 . 18819 1 261 . 1 1 26 26 GLU HG3 H 1 2.196 0.03 . 1 . . . . 26 GLU HG3 . 18819 1 262 . 1 1 26 26 GLU C C 13 175.483 0.3 . 1 . . . . 26 GLU C . 18819 1 263 . 1 1 26 26 GLU CA C 13 55.906 0.053 . 1 . . . . 26 GLU CA . 18819 1 264 . 1 1 26 26 GLU CB C 13 29.632 0.077 . 1 . . . . 26 GLU CB . 18819 1 265 . 1 1 26 26 GLU CG C 13 36.544 0.3 . 1 . . . . 26 GLU CG . 18819 1 266 . 1 1 26 26 GLU N N 15 117.408 0.007 . 1 . . . . 26 GLU N . 18819 1 267 . 1 1 27 27 ILE H H 1 7.529 0.002 . 1 . . . . 27 ILE H . 18819 1 268 . 1 1 27 27 ILE HA H 1 4.019 0.005 . 1 . . . . 27 ILE HA . 18819 1 269 . 1 1 27 27 ILE HB H 1 1.751 0.002 . 1 . . . . 27 ILE HB . 18819 1 270 . 1 1 27 27 ILE HG12 H 1 1.802 0.03 . 1 . . . . 27 ILE HG12 . 18819 1 271 . 1 1 27 27 ILE HG13 H 1 1.802 0.03 . 1 . . . . 27 ILE HG13 . 18819 1 272 . 1 1 27 27 ILE HG21 H 1 0.776 0.002 . 1 . . . . 27 ILE HG21 . 18819 1 273 . 1 1 27 27 ILE HG22 H 1 0.776 0.002 . 1 . . . . 27 ILE HG22 . 18819 1 274 . 1 1 27 27 ILE HG23 H 1 0.776 0.002 . 1 . . . . 27 ILE HG23 . 18819 1 275 . 1 1 27 27 ILE HD11 H 1 0.652 0.03 . 1 . . . . 27 ILE HD11 . 18819 1 276 . 1 1 27 27 ILE HD12 H 1 0.652 0.03 . 1 . . . . 27 ILE HD12 . 18819 1 277 . 1 1 27 27 ILE HD13 H 1 0.652 0.03 . 1 . . . . 27 ILE HD13 . 18819 1 278 . 1 1 27 27 ILE C C 13 173.966 0.3 . 1 . . . . 27 ILE C . 18819 1 279 . 1 1 27 27 ILE CA C 13 61.764 0.067 . 1 . . . . 27 ILE CA . 18819 1 280 . 1 1 27 27 ILE CB C 13 38.966 0.039 . 1 . . . . 27 ILE CB . 18819 1 281 . 1 1 27 27 ILE CG1 C 13 26.907 0.3 . 1 . . . . 27 ILE CG1 . 18819 1 282 . 1 1 27 27 ILE CG2 C 13 19.221 0.021 . 1 . . . . 27 ILE CG2 . 18819 1 283 . 1 1 27 27 ILE CD1 C 13 13.354 0.050 . 1 . . . . 27 ILE CD1 . 18819 1 284 . 1 1 27 27 ILE N N 15 121.416 0.016 . 1 . . . . 27 ILE N . 18819 1 285 . 1 1 28 28 SER H H 1 8.725 0.003 . 1 . . . . 28 SER H . 18819 1 286 . 1 1 28 28 SER HA H 1 4.750 0.03 . 1 . . . . 28 SER HA . 18819 1 287 . 1 1 28 28 SER HB2 H 1 3.744 0.001 . 1 . . . . 28 SER HB2 . 18819 1 288 . 1 1 28 28 SER HB3 H 1 4.008 0.03 . 1 . . . . 28 SER HB3 . 18819 1 289 . 1 1 28 28 SER C C 13 175.394 0.3 . 1 . . . . 28 SER C . 18819 1 290 . 1 1 28 28 SER CA C 13 56.252 0.016 . 1 . . . . 28 SER CA . 18819 1 291 . 1 1 28 28 SER CB C 13 66.676 0.042 . 1 . . . . 28 SER CB . 18819 1 292 . 1 1 28 28 SER N N 15 121.209 0.019 . 1 . . . . 28 SER N . 18819 1 293 . 1 1 29 29 ARG H H 1 8.849 0.001 . 1 . . . . 29 ARG H . 18819 1 294 . 1 1 29 29 ARG HA H 1 3.602 0.03 . 1 . . . . 29 ARG HA . 18819 1 295 . 1 1 29 29 ARG HB2 H 1 1.670 0.004 . 1 . . . . 29 ARG HB2 . 18819 1 296 . 1 1 29 29 ARG HB3 H 1 1.725 0.03 . 1 . . . . 29 ARG HB3 . 18819 1 297 . 1 1 29 29 ARG HG2 H 1 1.269 0.002 . 1 . . . . 29 ARG HG2 . 18819 1 298 . 1 1 29 29 ARG HG3 H 1 1.521 0.024 . 1 . . . . 29 ARG HG3 . 18819 1 299 . 1 1 29 29 ARG HD2 H 1 2.927 0.03 . 1 . . . . 29 ARG HD2 . 18819 1 300 . 1 1 29 29 ARG HD3 H 1 2.940 0.03 . 1 . . . . 29 ARG HD3 . 18819 1 301 . 1 1 29 29 ARG HE H 1 7.262 0.03 . 1 . . . . 29 ARG HE . 18819 1 302 . 1 1 29 29 ARG C C 13 175.506 0.3 . 1 . . . . 29 ARG C . 18819 1 303 . 1 1 29 29 ARG CA C 13 59.232 0.086 . 1 . . . . 29 ARG CA . 18819 1 304 . 1 1 29 29 ARG CB C 13 29.917 0.179 . 1 . . . . 29 ARG CB . 18819 1 305 . 1 1 29 29 ARG CG C 13 28.704 0.053 . 1 . . . . 29 ARG CG . 18819 1 306 . 1 1 29 29 ARG CD C 13 42.964 0.014 . 1 . . . . 29 ARG CD . 18819 1 307 . 1 1 29 29 ARG CZ C 13 159.308 0.3 . 1 . . . . 29 ARG CZ . 18819 1 308 . 1 1 29 29 ARG N N 15 120.233 0.011 . 1 . . . . 29 ARG N . 18819 1 309 . 1 1 29 29 ARG NE N 15 83.942 0.001 . 1 . . . . 29 ARG NE . 18819 1 310 . 1 1 30 30 ASP H H 1 7.754 0.002 . 1 . . . . 30 ASP H . 18819 1 311 . 1 1 30 30 ASP HA H 1 4.602 0.004 . 1 . . . . 30 ASP HA . 18819 1 312 . 1 1 30 30 ASP HB2 H 1 2.392 0.001 . 1 . . . . 30 ASP HB2 . 18819 1 313 . 1 1 30 30 ASP HB3 H 1 2.653 0.001 . 1 . . . . 30 ASP HB3 . 18819 1 314 . 1 1 30 30 ASP C C 13 176.848 0.3 . 1 . . . . 30 ASP C . 18819 1 315 . 1 1 30 30 ASP CA C 13 53.857 0.071 . 1 . . . . 30 ASP CA . 18819 1 316 . 1 1 30 30 ASP CB C 13 41.177 0.029 . 1 . . . . 30 ASP CB . 18819 1 317 . 1 1 30 30 ASP N N 15 113.661 0.007 . 1 . . . . 30 ASP N . 18819 1 318 . 1 1 31 31 SER H H 1 7.774 0.001 . 1 . . . . 31 SER H . 18819 1 319 . 1 1 31 31 SER HA H 1 4.141 0.005 . 1 . . . . 31 SER HA . 18819 1 320 . 1 1 31 31 SER HB2 H 1 3.782 0.002 . 1 . . . . 31 SER HB2 . 18819 1 321 . 1 1 31 31 SER HB3 H 1 3.938 0.002 . 1 . . . . 31 SER HB3 . 18819 1 322 . 1 1 31 31 SER C C 13 172.775 0.3 . 1 . . . . 31 SER C . 18819 1 323 . 1 1 31 31 SER CA C 13 61.405 0.133 . 1 . . . . 31 SER CA . 18819 1 324 . 1 1 31 31 SER CB C 13 63.117 0.058 . 1 . . . . 31 SER CB . 18819 1 325 . 1 1 31 31 SER N N 15 118.755 0.008 . 1 . . . . 31 SER N . 18819 1 326 . 1 1 32 32 ARG H H 1 8.961 0.002 . 1 . . . . 32 ARG H . 18819 1 327 . 1 1 32 32 ARG HA H 1 4.601 0.03 . 1 . . . . 32 ARG HA . 18819 1 328 . 1 1 32 32 ARG HB2 H 1 2.069 0.03 . 1 . . . . 32 ARG HB2 . 18819 1 329 . 1 1 32 32 ARG HB3 H 1 1.702 0.03 . 1 . . . . 32 ARG HB3 . 18819 1 330 . 1 1 32 32 ARG HG2 H 1 1.570 0.002 . 1 . . . . 32 ARG HG2 . 18819 1 331 . 1 1 32 32 ARG HG3 H 1 1.750 0.043 . 1 . . . . 32 ARG HG3 . 18819 1 332 . 1 1 32 32 ARG HD2 H 1 3.160 0.002 . 1 . . . . 32 ARG HD2 . 18819 1 333 . 1 1 32 32 ARG HD3 H 1 3.229 0.071 . 1 . . . . 32 ARG HD3 . 18819 1 334 . 1 1 32 32 ARG HE H 1 7.570 0.03 . 1 . . . . 32 ARG HE . 18819 1 335 . 1 1 32 32 ARG C C 13 177.886 0.3 . 1 . . . . 32 ARG C . 18819 1 336 . 1 1 32 32 ARG CA C 13 55.346 0.032 . 1 . . . . 32 ARG CA . 18819 1 337 . 1 1 32 32 ARG CB C 13 30.248 0.086 . 1 . . . . 32 ARG CB . 18819 1 338 . 1 1 32 32 ARG CG C 13 27.727 0.128 . 1 . . . . 32 ARG CG . 18819 1 339 . 1 1 32 32 ARG CD C 13 42.738 0.009 . 1 . . . . 32 ARG CD . 18819 1 340 . 1 1 32 32 ARG CZ C 13 159.468 0.3 . 1 . . . . 32 ARG CZ . 18819 1 341 . 1 1 32 32 ARG N N 15 122.873 0.015 . 1 . . . . 32 ARG N . 18819 1 342 . 1 1 32 32 ARG NE N 15 82.941 0.006 . 1 . . . . 32 ARG NE . 18819 1 343 . 1 1 33 33 MET H H 1 7.964 0.001 . 1 . . . . 33 MET H . 18819 1 344 . 1 1 33 33 MET HA H 1 3.814 0.03 . 1 . . . . 33 MET HA . 18819 1 345 . 1 1 33 33 MET HB2 H 1 1.634 0.03 . 1 . . . . 33 MET HB2 . 18819 1 346 . 1 1 33 33 MET HB3 H 1 1.596 0.03 . 1 . . . . 33 MET HB3 . 18819 1 347 . 1 1 33 33 MET HG2 H 1 1.736 0.03 . 1 . . . . 33 MET HG2 . 18819 1 348 . 1 1 33 33 MET HG3 H 1 1.736 0.03 . 1 . . . . 33 MET HG3 . 18819 1 349 . 1 1 33 33 MET C C 13 179.454 0.3 . 1 . . . . 33 MET C . 18819 1 350 . 1 1 33 33 MET CA C 13 57.689 0.071 . 1 . . . . 33 MET CA . 18819 1 351 . 1 1 33 33 MET CB C 13 29.926 0.077 . 1 . . . . 33 MET CB . 18819 1 352 . 1 1 33 33 MET CG C 13 33.215 0.024 . 1 . . . . 33 MET CG . 18819 1 353 . 1 1 33 33 MET N N 15 122.744 0.013 . 1 . . . . 33 MET N . 18819 1 354 . 1 1 34 34 GLU H H 1 9.104 0.001 . 1 . . . . 34 GLU H . 18819 1 355 . 1 1 34 34 GLU HA H 1 4.167 0.03 . 1 . . . . 34 GLU HA . 18819 1 356 . 1 1 34 34 GLU HB2 H 1 1.870 0.002 . 1 . . . . 34 GLU HB2 . 18819 1 357 . 1 1 34 34 GLU HB3 H 1 2.054 0.002 . 1 . . . . 34 GLU HB3 . 18819 1 358 . 1 1 34 34 GLU HG2 H 1 2.172 0.03 . 1 . . . . 34 GLU HG2 . 18819 1 359 . 1 1 34 34 GLU HG3 H 1 2.172 0.03 . 1 . . . . 34 GLU HG3 . 18819 1 360 . 1 1 34 34 GLU C C 13 177.635 0.3 . 1 . . . . 34 GLU C . 18819 1 361 . 1 1 34 34 GLU CA C 13 58.400 0.047 . 1 . . . . 34 GLU CA . 18819 1 362 . 1 1 34 34 GLU CB C 13 28.876 0.035 . 1 . . . . 34 GLU CB . 18819 1 363 . 1 1 34 34 GLU CG C 13 35.457 0.028 . 1 . . . . 34 GLU CG . 18819 1 364 . 1 1 34 34 GLU N N 15 117.918 0.013 . 1 . . . . 34 GLU N . 18819 1 365 . 1 1 35 35 ASP H H 1 7.211 0.002 . 1 . . . . 35 ASP H . 18819 1 366 . 1 1 35 35 ASP HA H 1 4.603 0.03 . 1 . . . . 35 ASP HA . 18819 1 367 . 1 1 35 35 ASP HB2 H 1 2.809 0.03 . 1 . . . . 35 ASP HB2 . 18819 1 368 . 1 1 35 35 ASP HB3 H 1 2.809 0.03 . 1 . . . . 35 ASP HB3 . 18819 1 369 . 1 1 35 35 ASP C C 13 176.361 0.3 . 1 . . . . 35 ASP C . 18819 1 370 . 1 1 35 35 ASP CA C 13 55.825 0.085 . 1 . . . . 35 ASP CA . 18819 1 371 . 1 1 35 35 ASP CB C 13 40.575 0.020 . 1 . . . . 35 ASP CB . 18819 1 372 . 1 1 35 35 ASP N N 15 118.624 0.011 . 1 . . . . 35 ASP N . 18819 1 373 . 1 1 36 36 LEU H H 1 7.416 0.002 . 1 . . . . 36 LEU H . 18819 1 374 . 1 1 36 36 LEU HA H 1 4.319 0.005 . 1 . . . . 36 LEU HA . 18819 1 375 . 1 1 36 36 LEU HB2 H 1 1.635 0.03 . 1 . . . . 36 LEU HB2 . 18819 1 376 . 1 1 36 36 LEU HB3 H 1 1.635 0.03 . 1 . . . . 36 LEU HB3 . 18819 1 377 . 1 1 36 36 LEU HG H 1 1.510 0.03 . 1 . . . . 36 LEU HG . 18819 1 378 . 1 1 36 36 LEU HD11 H 1 0.714 0.03 . 1 . . . . 36 LEU HD11 . 18819 1 379 . 1 1 36 36 LEU HD12 H 1 0.714 0.03 . 1 . . . . 36 LEU HD12 . 18819 1 380 . 1 1 36 36 LEU HD13 H 1 0.714 0.03 . 1 . . . . 36 LEU HD13 . 18819 1 381 . 1 1 36 36 LEU HD21 H 1 0.714 0.03 . 1 . . . . 36 LEU HD21 . 18819 1 382 . 1 1 36 36 LEU HD22 H 1 0.714 0.03 . 1 . . . . 36 LEU HD22 . 18819 1 383 . 1 1 36 36 LEU HD23 H 1 0.714 0.03 . 1 . . . . 36 LEU HD23 . 18819 1 384 . 1 1 36 36 LEU C C 13 174.791 0.3 . 1 . . . . 36 LEU C . 18819 1 385 . 1 1 36 36 LEU CA C 13 54.731 0.059 . 1 . . . . 36 LEU CA . 18819 1 386 . 1 1 36 36 LEU CB C 13 42.273 0.028 . 1 . . . . 36 LEU CB . 18819 1 387 . 1 1 36 36 LEU CG C 13 26.409 0.070 . 1 . . . . 36 LEU CG . 18819 1 388 . 1 1 36 36 LEU CD1 C 13 23.428 0.3 . 1 . . . . 36 LEU CD1 . 18819 1 389 . 1 1 36 36 LEU CD2 C 13 23.428 0.3 . 1 . . . . 36 LEU CD2 . 18819 1 390 . 1 1 36 36 LEU N N 15 119.973 0.004 . 1 . . . . 36 LEU N . 18819 1 391 . 1 1 37 37 ALA H H 1 7.752 0.002 . 1 . . . . 37 ALA H . 18819 1 392 . 1 1 37 37 ALA HA H 1 4.058 0.002 . 1 . . . . 37 ALA HA . 18819 1 393 . 1 1 37 37 ALA HB1 H 1 1.224 0.001 . 1 . . . . 37 ALA HB1 . 18819 1 394 . 1 1 37 37 ALA HB2 H 1 1.224 0.001 . 1 . . . . 37 ALA HB2 . 18819 1 395 . 1 1 37 37 ALA HB3 H 1 1.224 0.001 . 1 . . . . 37 ALA HB3 . 18819 1 396 . 1 1 37 37 ALA C C 13 176.425 0.3 . 1 . . . . 37 ALA C . 18819 1 397 . 1 1 37 37 ALA CA C 13 51.983 0.133 . 1 . . . . 37 ALA CA . 18819 1 398 . 1 1 37 37 ALA CB C 13 16.772 0.029 . 1 . . . . 37 ALA CB . 18819 1 399 . 1 1 37 37 ALA N N 15 118.597 0.049 . 1 . . . . 37 ALA N . 18819 1 400 . 1 1 38 38 PHE H H 1 7.368 0.001 . 1 . . . . 38 PHE H . 18819 1 401 . 1 1 38 38 PHE HA H 1 4.164 0.03 . 1 . . . . 38 PHE HA . 18819 1 402 . 1 1 38 38 PHE HB2 H 1 2.922 0.002 . 1 . . . . 38 PHE HB2 . 18819 1 403 . 1 1 38 38 PHE HB3 H 1 2.923 0.03 . 1 . . . . 38 PHE HB3 . 18819 1 404 . 1 1 38 38 PHE HD1 H 1 7.107 0.03 . 3 . . . . 38 PHE HD1 . 18819 1 405 . 1 1 38 38 PHE HD2 H 1 7.107 0.03 . 3 . . . . 38 PHE HD2 . 18819 1 406 . 1 1 38 38 PHE HE1 H 1 7.761 0.03 . 3 . . . . 38 PHE HE1 . 18819 1 407 . 1 1 38 38 PHE HE2 H 1 7.761 0.03 . 3 . . . . 38 PHE HE2 . 18819 1 408 . 1 1 38 38 PHE HZ H 1 7.382 0.03 . 1 . . . . 38 PHE HZ . 18819 1 409 . 1 1 38 38 PHE C C 13 175.091 0.3 . 1 . . . . 38 PHE C . 18819 1 410 . 1 1 38 38 PHE CA C 13 59.099 0.036 . 1 . . . . 38 PHE CA . 18819 1 411 . 1 1 38 38 PHE CB C 13 39.524 0.019 . 1 . . . . 38 PHE CB . 18819 1 412 . 1 1 38 38 PHE CD1 C 13 131.797 0.3 . 3 . . . . 38 PHE CD1 . 18819 1 413 . 1 1 38 38 PHE CD2 C 13 131.797 0.3 . 3 . . . . 38 PHE CD2 . 18819 1 414 . 1 1 38 38 PHE CE1 C 13 128.042 0.3 . 3 . . . . 38 PHE CE1 . 18819 1 415 . 1 1 38 38 PHE CE2 C 13 128.042 0.3 . 3 . . . . 38 PHE CE2 . 18819 1 416 . 1 1 38 38 PHE CZ C 13 126.246 0.3 . 1 . . . . 38 PHE CZ . 18819 1 417 . 1 1 38 38 PHE N N 15 118.078 0.004 . 1 . . . . 38 PHE N . 18819 1 418 . 1 1 39 39 ASP H H 1 7.294 0.002 . 1 . . . . 39 ASP H . 18819 1 419 . 1 1 39 39 ASP HA H 1 4.556 0.03 . 1 . . . . 39 ASP HA . 18819 1 420 . 1 1 39 39 ASP HB2 H 1 2.703 0.011 . 1 . . . . 39 ASP HB2 . 18819 1 421 . 1 1 39 39 ASP HB3 H 1 2.936 0.03 . 1 . . . . 39 ASP HB3 . 18819 1 422 . 1 1 39 39 ASP C C 13 176.378 0.3 . 1 . . . . 39 ASP C . 18819 1 423 . 1 1 39 39 ASP CA C 13 52.932 0.048 . 1 . . . . 39 ASP CA . 18819 1 424 . 1 1 39 39 ASP CB C 13 41.980 0.074 . 1 . . . . 39 ASP CB . 18819 1 425 . 1 1 39 39 ASP N N 15 120.978 0.009 . 1 . . . . 39 ASP N . 18819 1 426 . 1 1 40 40 SER H H 1 8.334 0.001 . 1 . . . . 40 SER H . 18819 1 427 . 1 1 40 40 SER HA H 1 4.048 0.003 . 1 . . . . 40 SER HA . 18819 1 428 . 1 1 40 40 SER HB2 H 1 3.831 0.002 . 1 . . . . 40 SER HB2 . 18819 1 429 . 1 1 40 40 SER HB3 H 1 3.833 0.03 . 1 . . . . 40 SER HB3 . 18819 1 430 . 1 1 40 40 SER C C 13 176.235 0.3 . 1 . . . . 40 SER C . 18819 1 431 . 1 1 40 40 SER CA C 13 61.410 0.134 . 1 . . . . 40 SER CA . 18819 1 432 . 1 1 40 40 SER CB C 13 62.958 0.045 . 1 . . . . 40 SER CB . 18819 1 433 . 1 1 40 40 SER N N 15 113.342 0.006 . 1 . . . . 40 SER N . 18819 1 434 . 1 1 41 41 LEU H H 1 7.945 0.001 . 1 . . . . 41 LEU H . 18819 1 435 . 1 1 41 41 LEU HA H 1 4.151 0.002 . 1 . . . . 41 LEU HA . 18819 1 436 . 1 1 41 41 LEU HB2 H 1 1.605 0.03 . 1 . . . . 41 LEU HB2 . 18819 1 437 . 1 1 41 41 LEU HB3 H 1 1.794 0.003 . 1 . . . . 41 LEU HB3 . 18819 1 438 . 1 1 41 41 LEU HG H 1 1.586 0.03 . 1 . . . . 41 LEU HG . 18819 1 439 . 1 1 41 41 LEU HD11 H 1 0.831 0.03 . 1 . . . . 41 LEU HD11 . 18819 1 440 . 1 1 41 41 LEU HD12 H 1 0.831 0.03 . 1 . . . . 41 LEU HD12 . 18819 1 441 . 1 1 41 41 LEU HD13 H 1 0.831 0.03 . 1 . . . . 41 LEU HD13 . 18819 1 442 . 1 1 41 41 LEU HD21 H 1 0.831 0.03 . 1 . . . . 41 LEU HD21 . 18819 1 443 . 1 1 41 41 LEU HD22 H 1 0.831 0.03 . 1 . . . . 41 LEU HD22 . 18819 1 444 . 1 1 41 41 LEU HD23 H 1 0.831 0.03 . 1 . . . . 41 LEU HD23 . 18819 1 445 . 1 1 41 41 LEU C C 13 179.441 0.3 . 1 . . . . 41 LEU C . 18819 1 446 . 1 1 41 41 LEU CA C 13 57.646 0.083 . 1 . . . . 41 LEU CA . 18819 1 447 . 1 1 41 41 LEU CB C 13 40.985 0.024 . 1 . . . . 41 LEU CB . 18819 1 448 . 1 1 41 41 LEU CG C 13 27.205 0.3 . 1 . . . . 41 LEU CG . 18819 1 449 . 1 1 41 41 LEU CD1 C 13 23.835 0.3 . 1 . . . . 41 LEU CD1 . 18819 1 450 . 1 1 41 41 LEU CD2 C 13 24.271 0.3 . 1 . . . . 41 LEU CD2 . 18819 1 451 . 1 1 41 41 LEU N N 15 124.332 0.006 . 1 . . . . 41 LEU N . 18819 1 452 . 1 1 42 42 VAL H H 1 7.848 0.001 . 1 . . . . 42 VAL H . 18819 1 453 . 1 1 42 42 VAL HA H 1 3.555 0.003 . 1 . . . . 42 VAL HA . 18819 1 454 . 1 1 42 42 VAL HB H 1 1.800 0.001 . 1 . . . . 42 VAL HB . 18819 1 455 . 1 1 42 42 VAL HG11 H 1 0.542 0.03 . 1 . . . . 42 VAL HG11 . 18819 1 456 . 1 1 42 42 VAL HG12 H 1 0.542 0.03 . 1 . . . . 42 VAL HG12 . 18819 1 457 . 1 1 42 42 VAL HG13 H 1 0.542 0.03 . 1 . . . . 42 VAL HG13 . 18819 1 458 . 1 1 42 42 VAL HG21 H 1 0.992 0.03 . 1 . . . . 42 VAL HG21 . 18819 1 459 . 1 1 42 42 VAL HG22 H 1 0.992 0.03 . 1 . . . . 42 VAL HG22 . 18819 1 460 . 1 1 42 42 VAL HG23 H 1 0.992 0.03 . 1 . . . . 42 VAL HG23 . 18819 1 461 . 1 1 42 42 VAL C C 13 178.084 0.3 . 1 . . . . 42 VAL C . 18819 1 462 . 1 1 42 42 VAL CA C 13 66.099 0.047 . 1 . . . . 42 VAL CA . 18819 1 463 . 1 1 42 42 VAL CB C 13 31.910 0.104 . 1 . . . . 42 VAL CB . 18819 1 464 . 1 1 42 42 VAL CG1 C 13 20.943 0.3 . 1 . . . . 42 VAL CG1 . 18819 1 465 . 1 1 42 42 VAL CG2 C 13 22.031 0.3 . 1 . . . . 42 VAL CG2 . 18819 1 466 . 1 1 42 42 VAL N N 15 121.504 0.008 . 1 . . . . 42 VAL N . 18819 1 467 . 1 1 43 43 VAL H H 1 7.883 0.003 . 1 . . . . 43 VAL H . 18819 1 468 . 1 1 43 43 VAL HA H 1 3.198 0.002 . 1 . . . . 43 VAL HA . 18819 1 469 . 1 1 43 43 VAL HB H 1 1.889 0.009 . 1 . . . . 43 VAL HB . 18819 1 470 . 1 1 43 43 VAL HG11 H 1 0.699 0.03 . 1 . . . . 43 VAL HG11 . 18819 1 471 . 1 1 43 43 VAL HG12 H 1 0.699 0.03 . 1 . . . . 43 VAL HG12 . 18819 1 472 . 1 1 43 43 VAL HG13 H 1 0.699 0.03 . 1 . . . . 43 VAL HG13 . 18819 1 473 . 1 1 43 43 VAL HG21 H 1 0.783 0.03 . 1 . . . . 43 VAL HG21 . 18819 1 474 . 1 1 43 43 VAL HG22 H 1 0.783 0.03 . 1 . . . . 43 VAL HG22 . 18819 1 475 . 1 1 43 43 VAL HG23 H 1 0.783 0.03 . 1 . . . . 43 VAL HG23 . 18819 1 476 . 1 1 43 43 VAL C C 13 177.438 0.3 . 1 . . . . 43 VAL C . 18819 1 477 . 1 1 43 43 VAL CA C 13 67.565 0.063 . 1 . . . . 43 VAL CA . 18819 1 478 . 1 1 43 43 VAL CB C 13 31.236 0.108 . 1 . . . . 43 VAL CB . 18819 1 479 . 1 1 43 43 VAL CG1 C 13 21.424 0.3 . 1 . . . . 43 VAL CG1 . 18819 1 480 . 1 1 43 43 VAL CG2 C 13 23.423 0.3 . 1 . . . . 43 VAL CG2 . 18819 1 481 . 1 1 43 43 VAL N N 15 119.231 0.015 . 1 . . . . 43 VAL N . 18819 1 482 . 1 1 44 44 SER H H 1 7.801 0.002 . 1 . . . . 44 SER H . 18819 1 483 . 1 1 44 44 SER HA H 1 4.132 0.004 . 1 . . . . 44 SER HA . 18819 1 484 . 1 1 44 44 SER HB2 H 1 3.906 0.001 . 1 . . . . 44 SER HB2 . 18819 1 485 . 1 1 44 44 SER HB3 H 1 3.907 0.03 . 1 . . . . 44 SER HB3 . 18819 1 486 . 1 1 44 44 SER C C 13 177.176 0.3 . 1 . . . . 44 SER C . 18819 1 487 . 1 1 44 44 SER CA C 13 61.611 0.052 . 1 . . . . 44 SER CA . 18819 1 488 . 1 1 44 44 SER CB C 13 62.638 0.040 . 1 . . . . 44 SER CB . 18819 1 489 . 1 1 44 44 SER N N 15 114.776 0.009 . 1 . . . . 44 SER N . 18819 1 490 . 1 1 45 45 GLU H H 1 7.776 0.002 . 1 . . . . 45 GLU H . 18819 1 491 . 1 1 45 45 GLU HA H 1 4.126 0.03 . 1 . . . . 45 GLU HA . 18819 1 492 . 1 1 45 45 GLU HB2 H 1 1.956 0.03 . 1 . . . . 45 GLU HB2 . 18819 1 493 . 1 1 45 45 GLU HB3 H 1 2.098 0.03 . 1 . . . . 45 GLU HB3 . 18819 1 494 . 1 1 45 45 GLU HG2 H 1 2.225 0.001 . 1 . . . . 45 GLU HG2 . 18819 1 495 . 1 1 45 45 GLU HG3 H 1 2.226 0.03 . 1 . . . . 45 GLU HG3 . 18819 1 496 . 1 1 45 45 GLU C C 13 178.837 0.3 . 1 . . . . 45 GLU C . 18819 1 497 . 1 1 45 45 GLU CA C 13 59.022 0.010 . 1 . . . . 45 GLU CA . 18819 1 498 . 1 1 45 45 GLU CB C 13 29.268 0.036 . 1 . . . . 45 GLU CB . 18819 1 499 . 1 1 45 45 GLU CG C 13 35.692 0.009 . 1 . . . . 45 GLU CG . 18819 1 500 . 1 1 45 45 GLU N N 15 122.932 0.005 . 1 . . . . 45 GLU N . 18819 1 501 . 1 1 46 46 LEU H H 1 8.597 0.001 . 1 . . . . 46 LEU H . 18819 1 502 . 1 1 46 46 LEU HA H 1 3.784 0.03 . 1 . . . . 46 LEU HA . 18819 1 503 . 1 1 46 46 LEU HB2 H 1 1.584 0.118 . 1 . . . . 46 LEU HB2 . 18819 1 504 . 1 1 46 46 LEU HB3 H 1 1.704 0.002 . 1 . . . . 46 LEU HB3 . 18819 1 505 . 1 1 46 46 LEU HG H 1 1.473 0.03 . 1 . . . . 46 LEU HG . 18819 1 506 . 1 1 46 46 LEU HD11 H 1 0.693 0.03 . 1 . . . . 46 LEU HD11 . 18819 1 507 . 1 1 46 46 LEU HD12 H 1 0.693 0.03 . 1 . . . . 46 LEU HD12 . 18819 1 508 . 1 1 46 46 LEU HD13 H 1 0.693 0.03 . 1 . . . . 46 LEU HD13 . 18819 1 509 . 1 1 46 46 LEU HD21 H 1 0.693 0.03 . 1 . . . . 46 LEU HD21 . 18819 1 510 . 1 1 46 46 LEU HD22 H 1 0.693 0.03 . 1 . . . . 46 LEU HD22 . 18819 1 511 . 1 1 46 46 LEU HD23 H 1 0.693 0.03 . 1 . . . . 46 LEU HD23 . 18819 1 512 . 1 1 46 46 LEU C C 13 177.943 0.3 . 1 . . . . 46 LEU C . 18819 1 513 . 1 1 46 46 LEU CA C 13 58.009 0.022 . 1 . . . . 46 LEU CA . 18819 1 514 . 1 1 46 46 LEU CB C 13 41.931 0.022 . 1 . . . . 46 LEU CB . 18819 1 515 . 1 1 46 46 LEU CG C 13 26.652 0.3 . 1 . . . . 46 LEU CG . 18819 1 516 . 1 1 46 46 LEU CD1 C 13 23.918 0.3 . 1 . . . . 46 LEU CD1 . 18819 1 517 . 1 1 46 46 LEU CD2 C 13 25.000 0.3 . 1 . . . . 46 LEU CD2 . 18819 1 518 . 1 1 46 46 LEU N N 15 120.410 0.012 . 1 . . . . 46 LEU N . 18819 1 519 . 1 1 47 47 SER H H 1 8.615 0.001 . 1 . . . . 47 SER H . 18819 1 520 . 1 1 47 47 SER HA H 1 4.137 0.03 . 1 . . . . 47 SER HA . 18819 1 521 . 1 1 47 47 SER HB2 H 1 3.915 0.03 . 1 . . . . 47 SER HB2 . 18819 1 522 . 1 1 47 47 SER HB3 H 1 3.780 0.03 . 1 . . . . 47 SER HB3 . 18819 1 523 . 1 1 47 47 SER C C 13 178.316 0.3 . 1 . . . . 47 SER C . 18819 1 524 . 1 1 47 47 SER CA C 13 61.590 0.246 . 1 . . . . 47 SER CA . 18819 1 525 . 1 1 47 47 SER CB C 13 62.588 0.077 . 1 . . . . 47 SER CB . 18819 1 526 . 1 1 47 47 SER N N 15 112.995 0.009 . 1 . . . . 47 SER N . 18819 1 527 . 1 1 48 48 LEU H H 1 7.614 0.002 . 1 . . . . 48 LEU H . 18819 1 528 . 1 1 48 48 LEU HA H 1 4.092 0.03 . 1 . . . . 48 LEU HA . 18819 1 529 . 1 1 48 48 LEU HB2 H 1 1.784 0.03 . 1 . . . . 48 LEU HB2 . 18819 1 530 . 1 1 48 48 LEU HB3 H 1 1.784 0.03 . 1 . . . . 48 LEU HB3 . 18819 1 531 . 1 1 48 48 LEU HG H 1 1.637 0.03 . 1 . . . . 48 LEU HG . 18819 1 532 . 1 1 48 48 LEU HD11 H 1 0.879 0.03 . 1 . . . . 48 LEU HD11 . 18819 1 533 . 1 1 48 48 LEU HD12 H 1 0.879 0.03 . 1 . . . . 48 LEU HD12 . 18819 1 534 . 1 1 48 48 LEU HD13 H 1 0.879 0.03 . 1 . . . . 48 LEU HD13 . 18819 1 535 . 1 1 48 48 LEU HD21 H 1 0.879 0.03 . 1 . . . . 48 LEU HD21 . 18819 1 536 . 1 1 48 48 LEU HD22 H 1 0.879 0.03 . 1 . . . . 48 LEU HD22 . 18819 1 537 . 1 1 48 48 LEU HD23 H 1 0.879 0.03 . 1 . . . . 48 LEU HD23 . 18819 1 538 . 1 1 48 48 LEU CA C 13 58.382 0.016 . 1 . . . . 48 LEU CA . 18819 1 539 . 1 1 48 48 LEU CB C 13 41.865 0.007 . 1 . . . . 48 LEU CB . 18819 1 540 . 1 1 48 48 LEU CG C 13 27.007 0.3 . 1 . . . . 48 LEU CG . 18819 1 541 . 1 1 48 48 LEU CD1 C 13 24.413 0.3 . 1 . . . . 48 LEU CD1 . 18819 1 542 . 1 1 48 48 LEU CD2 C 13 24.057 0.3 . 1 . . . . 48 LEU CD2 . 18819 1 543 . 1 1 48 48 LEU N N 15 120.829 0.007 . 1 . . . . 48 LEU N . 18819 1 544 . 1 1 49 49 LYS H H 1 8.251 0.001 . 1 . . . . 49 LYS H . 18819 1 545 . 1 1 49 49 LYS HA H 1 4.036 0.03 . 1 . . . . 49 LYS HA . 18819 1 546 . 1 1 49 49 LYS HB2 H 1 1.955 0.03 . 1 . . . . 49 LYS HB2 . 18819 1 547 . 1 1 49 49 LYS HB3 H 1 1.955 0.03 . 1 . . . . 49 LYS HB3 . 18819 1 548 . 1 1 49 49 LYS HG2 H 1 1.557 0.016 . 1 . . . . 49 LYS HG2 . 18819 1 549 . 1 1 49 49 LYS HG3 H 1 1.601 0.028 . 1 . . . . 49 LYS HG3 . 18819 1 550 . 1 1 49 49 LYS HD2 H 1 1.659 0.03 . 1 . . . . 49 LYS HD2 . 18819 1 551 . 1 1 49 49 LYS HD3 H 1 1.659 0.03 . 1 . . . . 49 LYS HD3 . 18819 1 552 . 1 1 49 49 LYS HE2 H 1 2.918 0.03 . 1 . . . . 49 LYS HE2 . 18819 1 553 . 1 1 49 49 LYS HE3 H 1 2.918 0.03 . 1 . . . . 49 LYS HE3 . 18819 1 554 . 1 1 49 49 LYS C C 13 179.730 0.3 . 1 . . . . 49 LYS C . 18819 1 555 . 1 1 49 49 LYS CA C 13 59.026 0.011 . 1 . . . . 49 LYS CA . 18819 1 556 . 1 1 49 49 LYS CB C 13 32.867 0.3 . 1 . . . . 49 LYS CB . 18819 1 557 . 1 1 49 49 LYS CG C 13 25.099 0.015 . 1 . . . . 49 LYS CG . 18819 1 558 . 1 1 49 49 LYS CD C 13 28.588 0.3 . 1 . . . . 49 LYS CD . 18819 1 559 . 1 1 49 49 LYS CE C 13 42.294 0.3 . 1 . . . . 49 LYS CE . 18819 1 560 . 1 1 49 49 LYS N N 15 118.985 0.013 . 1 . . . . 49 LYS N . 18819 1 561 . 1 1 50 50 LEU H H 1 9.007 0.003 . 1 . . . . 50 LEU H . 18819 1 562 . 1 1 50 50 LEU HA H 1 4.135 0.03 . 1 . . . . 50 LEU HA . 18819 1 563 . 1 1 50 50 LEU HB2 H 1 1.228 0.002 . 1 . . . . 50 LEU HB2 . 18819 1 564 . 1 1 50 50 LEU HB3 H 1 1.994 0.03 . 1 . . . . 50 LEU HB3 . 18819 1 565 . 1 1 50 50 LEU HG H 1 1.747 0.003 . 1 . . . . 50 LEU HG . 18819 1 566 . 1 1 50 50 LEU HD11 H 1 0.406 0.03 . 1 . . . . 50 LEU HD11 . 18819 1 567 . 1 1 50 50 LEU HD12 H 1 0.406 0.03 . 1 . . . . 50 LEU HD12 . 18819 1 568 . 1 1 50 50 LEU HD13 H 1 0.406 0.03 . 1 . . . . 50 LEU HD13 . 18819 1 569 . 1 1 50 50 LEU HD21 H 1 0.535 0.03 . 1 . . . . 50 LEU HD21 . 18819 1 570 . 1 1 50 50 LEU HD22 H 1 0.535 0.03 . 1 . . . . 50 LEU HD22 . 18819 1 571 . 1 1 50 50 LEU HD23 H 1 0.535 0.03 . 1 . . . . 50 LEU HD23 . 18819 1 572 . 1 1 50 50 LEU C C 13 179.989 0.3 . 1 . . . . 50 LEU C . 18819 1 573 . 1 1 50 50 LEU CA C 13 58.418 0.047 . 1 . . . . 50 LEU CA . 18819 1 574 . 1 1 50 50 LEU CB C 13 40.617 0.027 . 1 . . . . 50 LEU CB . 18819 1 575 . 1 1 50 50 LEU CG C 13 27.078 0.038 . 1 . . . . 50 LEU CG . 18819 1 576 . 1 1 50 50 LEU CD1 C 13 23.318 0.3 . 1 . . . . 50 LEU CD1 . 18819 1 577 . 1 1 50 50 LEU CD2 C 13 25.550 0.3 . 1 . . . . 50 LEU CD2 . 18819 1 578 . 1 1 50 50 LEU N N 15 119.549 0.008 . 1 . . . . 50 LEU N . 18819 1 579 . 1 1 51 51 ARG H H 1 7.748 0.001 . 1 . . . . 51 ARG H . 18819 1 580 . 1 1 51 51 ARG HA H 1 4.004 0.03 . 1 . . . . 51 ARG HA . 18819 1 581 . 1 1 51 51 ARG HB2 H 1 1.993 0.03 . 1 . . . . 51 ARG HB2 . 18819 1 582 . 1 1 51 51 ARG HB3 H 1 1.993 0.03 . 1 . . . . 51 ARG HB3 . 18819 1 583 . 1 1 51 51 ARG HG2 H 1 1.448 0.03 . 1 . . . . 51 ARG HG2 . 18819 1 584 . 1 1 51 51 ARG HG3 H 1 1.448 0.03 . 1 . . . . 51 ARG HG3 . 18819 1 585 . 1 1 51 51 ARG HD2 H 1 3.162 0.03 . 1 . . . . 51 ARG HD2 . 18819 1 586 . 1 1 51 51 ARG HD3 H 1 3.202 0.017 . 1 . . . . 51 ARG HD3 . 18819 1 587 . 1 1 51 51 ARG HE H 1 7.525 0.03 . 1 . . . . 51 ARG HE . 18819 1 588 . 1 1 51 51 ARG C C 13 178.769 0.3 . 1 . . . . 51 ARG C . 18819 1 589 . 1 1 51 51 ARG CA C 13 60.008 0.034 . 1 . . . . 51 ARG CA . 18819 1 590 . 1 1 51 51 ARG CB C 13 30.338 0.052 . 1 . . . . 51 ARG CB . 18819 1 591 . 1 1 51 51 ARG CG C 13 27.120 0.3 . 1 . . . . 51 ARG CG . 18819 1 592 . 1 1 51 51 ARG CD C 13 43.745 0.074 . 1 . . . . 51 ARG CD . 18819 1 593 . 1 1 51 51 ARG CZ C 13 159.691 0.3 . 1 . . . . 51 ARG CZ . 18819 1 594 . 1 1 51 51 ARG N N 15 121.203 0.014 . 1 . . . . 51 ARG N . 18819 1 595 . 1 1 51 51 ARG NE N 15 84.587 0.011 . 1 . . . . 51 ARG NE . 18819 1 596 . 1 1 52 52 LYS H H 1 8.374 0.002 . 1 . . . . 52 LYS H . 18819 1 597 . 1 1 52 52 LYS HA H 1 3.998 0.03 . 1 . . . . 52 LYS HA . 18819 1 598 . 1 1 52 52 LYS HB2 H 1 1.860 0.03 . 1 . . . . 52 LYS HB2 . 18819 1 599 . 1 1 52 52 LYS HB3 H 1 1.860 0.03 . 1 . . . . 52 LYS HB3 . 18819 1 600 . 1 1 52 52 LYS HG2 H 1 1.391 0.001 . 1 . . . . 52 LYS HG2 . 18819 1 601 . 1 1 52 52 LYS HG3 H 1 1.466 0.073 . 1 . . . . 52 LYS HG3 . 18819 1 602 . 1 1 52 52 LYS HD2 H 1 1.545 0.03 . 1 . . . . 52 LYS HD2 . 18819 1 603 . 1 1 52 52 LYS HD3 H 1 1.545 0.03 . 1 . . . . 52 LYS HD3 . 18819 1 604 . 1 1 52 52 LYS HE2 H 1 2.924 0.03 . 1 . . . . 52 LYS HE2 . 18819 1 605 . 1 1 52 52 LYS HE3 H 1 2.924 0.03 . 1 . . . . 52 LYS HE3 . 18819 1 606 . 1 1 52 52 LYS C C 13 178.474 0.3 . 1 . . . . 52 LYS C . 18819 1 607 . 1 1 52 52 LYS CA C 13 59.424 0.065 . 1 . . . . 52 LYS CA . 18819 1 608 . 1 1 52 52 LYS CB C 13 33.476 0.049 . 1 . . . . 52 LYS CB . 18819 1 609 . 1 1 52 52 LYS CG C 13 25.171 0.039 . 1 . . . . 52 LYS CG . 18819 1 610 . 1 1 52 52 LYS CD C 13 28.745 0.3 . 1 . . . . 52 LYS CD . 18819 1 611 . 1 1 52 52 LYS CE C 13 41.939 0.3 . 1 . . . . 52 LYS CE . 18819 1 612 . 1 1 52 52 LYS N N 15 118.360 0.063 . 1 . . . . 52 LYS N . 18819 1 613 . 1 1 53 53 GLU H H 1 8.770 0.001 . 1 . . . . 53 GLU H . 18819 1 614 . 1 1 53 53 GLU HA H 1 4.234 0.001 . 1 . . . . 53 GLU HA . 18819 1 615 . 1 1 53 53 GLU HB2 H 1 1.479 0.001 . 1 . . . . 53 GLU HB2 . 18819 1 616 . 1 1 53 53 GLU HB3 H 1 1.708 0.013 . 1 . . . . 53 GLU HB3 . 18819 1 617 . 1 1 53 53 GLU HG2 H 1 2.094 0.03 . 1 . . . . 53 GLU HG2 . 18819 1 618 . 1 1 53 53 GLU HG3 H 1 2.094 0.03 . 1 . . . . 53 GLU HG3 . 18819 1 619 . 1 1 53 53 GLU C C 13 177.104 0.3 . 1 . . . . 53 GLU C . 18819 1 620 . 1 1 53 53 GLU CA C 13 57.193 0.062 . 1 . . . . 53 GLU CA . 18819 1 621 . 1 1 53 53 GLU CB C 13 30.141 0.090 . 1 . . . . 53 GLU CB . 18819 1 622 . 1 1 53 53 GLU CG C 13 36.333 0.3 . 1 . . . . 53 GLU CG . 18819 1 623 . 1 1 53 53 GLU N N 15 113.344 0.012 . 1 . . . . 53 GLU N . 18819 1 624 . 1 1 54 54 PHE H H 1 7.155 0.002 . 1 . . . . 54 PHE H . 18819 1 625 . 1 1 54 54 PHE HA H 1 4.792 0.03 . 1 . . . . 54 PHE HA . 18819 1 626 . 1 1 54 54 PHE HB2 H 1 3.119 0.03 . 1 . . . . 54 PHE HB2 . 18819 1 627 . 1 1 54 54 PHE HB3 H 1 3.221 0.03 . 1 . . . . 54 PHE HB3 . 18819 1 628 . 1 1 54 54 PHE HD1 H 1 7.187 0.03 . 3 . . . . 54 PHE HD1 . 18819 1 629 . 1 1 54 54 PHE HD2 H 1 7.187 0.03 . 3 . . . . 54 PHE HD2 . 18819 1 630 . 1 1 54 54 PHE HE1 H 1 7.919 0.03 . 3 . . . . 54 PHE HE1 . 18819 1 631 . 1 1 54 54 PHE HE2 H 1 7.919 0.03 . 3 . . . . 54 PHE HE2 . 18819 1 632 . 1 1 54 54 PHE C C 13 175.565 0.3 . 1 . . . . 54 PHE C . 18819 1 633 . 1 1 54 54 PHE CA C 13 57.345 0.066 . 1 . . . . 54 PHE CA . 18819 1 634 . 1 1 54 54 PHE CB C 13 41.062 0.018 . 1 . . . . 54 PHE CB . 18819 1 635 . 1 1 54 54 PHE CD1 C 13 131.962 0.3 . 3 . . . . 54 PHE CD1 . 18819 1 636 . 1 1 54 54 PHE CD2 C 13 131.962 0.3 . 3 . . . . 54 PHE CD2 . 18819 1 637 . 1 1 54 54 PHE CE1 C 13 127.497 0.3 . 3 . . . . 54 PHE CE1 . 18819 1 638 . 1 1 54 54 PHE CE2 C 13 127.497 0.3 . 3 . . . . 54 PHE CE2 . 18819 1 639 . 1 1 54 54 PHE CZ C 13 126.347 0.3 . 1 . . . . 54 PHE CZ . 18819 1 640 . 1 1 54 54 PHE N N 15 112.264 0.009 . 1 . . . . 54 PHE N . 18819 1 641 . 1 1 55 55 GLY H H 1 7.477 0.002 . 1 . . . . 55 GLY H . 18819 1 642 . 1 1 55 55 GLY HA2 H 1 3.987 0.003 . 1 . . . . 55 GLY HA2 . 18819 1 643 . 1 1 55 55 GLY HA3 H 1 3.990 0.03 . 1 . . . . 55 GLY HA3 . 18819 1 644 . 1 1 55 55 GLY C C 13 174.041 0.3 . 1 . . . . 55 GLY C . 18819 1 645 . 1 1 55 55 GLY CA C 13 46.794 0.032 . 1 . . . . 55 GLY CA . 18819 1 646 . 1 1 55 55 GLY N N 15 109.398 0.034 . 1 . . . . 55 GLY N . 18819 1 647 . 1 1 56 56 VAL H H 1 7.548 0.002 . 1 . . . . 56 VAL H . 18819 1 648 . 1 1 56 56 VAL HA H 1 4.048 0.002 . 1 . . . . 56 VAL HA . 18819 1 649 . 1 1 56 56 VAL HB H 1 1.579 0.003 . 1 . . . . 56 VAL HB . 18819 1 650 . 1 1 56 56 VAL HG11 H 1 0.532 0.03 . 1 . . . . 56 VAL HG11 . 18819 1 651 . 1 1 56 56 VAL HG12 H 1 0.532 0.03 . 1 . . . . 56 VAL HG12 . 18819 1 652 . 1 1 56 56 VAL HG13 H 1 0.532 0.03 . 1 . . . . 56 VAL HG13 . 18819 1 653 . 1 1 56 56 VAL HG21 H 1 0.809 0.03 . 1 . . . . 56 VAL HG21 . 18819 1 654 . 1 1 56 56 VAL HG22 H 1 0.809 0.03 . 1 . . . . 56 VAL HG22 . 18819 1 655 . 1 1 56 56 VAL HG23 H 1 0.809 0.03 . 1 . . . . 56 VAL HG23 . 18819 1 656 . 1 1 56 56 VAL C C 13 174.395 0.3 . 1 . . . . 56 VAL C . 18819 1 657 . 1 1 56 56 VAL CA C 13 62.026 0.061 . 1 . . . . 56 VAL CA . 18819 1 658 . 1 1 56 56 VAL CB C 13 32.817 0.049 . 1 . . . . 56 VAL CB . 18819 1 659 . 1 1 56 56 VAL CG1 C 13 21.879 0.3 . 1 . . . . 56 VAL CG1 . 18819 1 660 . 1 1 56 56 VAL CG2 C 13 21.546 0.3 . 1 . . . . 56 VAL CG2 . 18819 1 661 . 1 1 56 56 VAL N N 15 121.236 0.026 . 1 . . . . 56 VAL N . 18819 1 662 . 1 1 57 57 THR H H 1 8.254 0.002 . 1 . . . . 57 THR H . 18819 1 663 . 1 1 57 57 THR HA H 1 4.479 0.03 . 1 . . . . 57 THR HA . 18819 1 664 . 1 1 57 57 THR HB H 1 4.030 0.001 . 1 . . . . 57 THR HB . 18819 1 665 . 1 1 57 57 THR HG21 H 1 1.019 0.002 . 1 . . . . 57 THR HG21 . 18819 1 666 . 1 1 57 57 THR HG22 H 1 1.019 0.002 . 1 . . . . 57 THR HG22 . 18819 1 667 . 1 1 57 57 THR HG23 H 1 1.019 0.002 . 1 . . . . 57 THR HG23 . 18819 1 668 . 1 1 57 57 THR C C 13 173.105 0.3 . 1 . . . . 57 THR C . 18819 1 669 . 1 1 57 57 THR CA C 13 59.839 0.050 . 1 . . . . 57 THR CA . 18819 1 670 . 1 1 57 57 THR CB C 13 71.570 0.054 . 1 . . . . 57 THR CB . 18819 1 671 . 1 1 57 57 THR CG2 C 13 20.553 0.057 . 1 . . . . 57 THR CG2 . 18819 1 672 . 1 1 57 57 THR N N 15 118.699 0.101 . 1 . . . . 57 THR N . 18819 1 673 . 1 1 58 58 GLY H H 1 8.337 0.001 . 1 . . . . 58 GLY H . 18819 1 674 . 1 1 58 58 GLY HA2 H 1 3.931 0.002 . 1 . . . . 58 GLY HA2 . 18819 1 675 . 1 1 58 58 GLY HA3 H 1 3.932 0.03 . 1 . . . . 58 GLY HA3 . 18819 1 676 . 1 1 58 58 GLY C C 13 176.264 0.3 . 1 . . . . 58 GLY C . 18819 1 677 . 1 1 58 58 GLY CA C 13 46.634 0.023 . 1 . . . . 58 GLY CA . 18819 1 678 . 1 1 58 58 GLY N N 15 109.738 0.010 . 1 . . . . 58 GLY N . 18819 1 679 . 1 1 59 59 VAL H H 1 8.350 0.002 . 1 . . . . 59 VAL H . 18819 1 680 . 1 1 59 59 VAL HA H 1 4.652 0.03 . 1 . . . . 59 VAL HA . 18819 1 681 . 1 1 59 59 VAL HB H 1 2.221 0.03 . 1 . . . . 59 VAL HB . 18819 1 682 . 1 1 59 59 VAL HG11 H 1 0.113 0.03 . 1 . . . . 59 VAL HG11 . 18819 1 683 . 1 1 59 59 VAL HG12 H 1 0.113 0.03 . 1 . . . . 59 VAL HG12 . 18819 1 684 . 1 1 59 59 VAL HG13 H 1 0.113 0.03 . 1 . . . . 59 VAL HG13 . 18819 1 685 . 1 1 59 59 VAL HG21 H 1 0.338 0.001 . 1 . . . . 59 VAL HG21 . 18819 1 686 . 1 1 59 59 VAL HG22 H 1 0.338 0.001 . 1 . . . . 59 VAL HG22 . 18819 1 687 . 1 1 59 59 VAL HG23 H 1 0.338 0.001 . 1 . . . . 59 VAL HG23 . 18819 1 688 . 1 1 59 59 VAL C C 13 176.162 0.3 . 1 . . . . 59 VAL C . 18819 1 689 . 1 1 59 59 VAL CA C 13 59.706 0.085 . 1 . . . . 59 VAL CA . 18819 1 690 . 1 1 59 59 VAL CB C 13 31.858 0.054 . 1 . . . . 59 VAL CB . 18819 1 691 . 1 1 59 59 VAL CG1 C 13 20.073 0.076 . 1 . . . . 59 VAL CG1 . 18819 1 692 . 1 1 59 59 VAL CG2 C 13 18.900 0.010 . 1 . . . . 59 VAL CG2 . 18819 1 693 . 1 1 59 59 VAL N N 15 110.952 0.006 . 1 . . . . 59 VAL N . 18819 1 694 . 1 1 60 60 ASP H H 1 8.205 0.001 . 1 . . . . 60 ASP H . 18819 1 695 . 1 1 60 60 ASP HA H 1 4.024 0.03 . 1 . . . . 60 ASP HA . 18819 1 696 . 1 1 60 60 ASP HB2 H 1 2.517 0.03 . 1 . . . . 60 ASP HB2 . 18819 1 697 . 1 1 60 60 ASP HB3 H 1 2.517 0.03 . 1 . . . . 60 ASP HB3 . 18819 1 698 . 1 1 60 60 ASP C C 13 177.727 0.3 . 1 . . . . 60 ASP C . 18819 1 699 . 1 1 60 60 ASP CA C 13 58.577 0.036 . 1 . . . . 60 ASP CA . 18819 1 700 . 1 1 60 60 ASP CB C 13 39.686 0.037 . 1 . . . . 60 ASP CB . 18819 1 701 . 1 1 60 60 ASP N N 15 122.761 0.006 . 1 . . . . 60 ASP N . 18819 1 702 . 1 1 61 61 ASP H H 1 8.384 0.001 . 1 . . . . 61 ASP H . 18819 1 703 . 1 1 61 61 ASP HA H 1 4.285 0.03 . 1 . . . . 61 ASP HA . 18819 1 704 . 1 1 61 61 ASP HB2 H 1 2.471 0.03 . 1 . . . . 61 ASP HB2 . 18819 1 705 . 1 1 61 61 ASP HB3 H 1 2.565 0.03 . 1 . . . . 61 ASP HB3 . 18819 1 706 . 1 1 61 61 ASP C C 13 177.967 0.3 . 1 . . . . 61 ASP C . 18819 1 707 . 1 1 61 61 ASP CA C 13 56.474 0.033 . 1 . . . . 61 ASP CA . 18819 1 708 . 1 1 61 61 ASP CB C 13 39.552 0.020 . 1 . . . . 61 ASP CB . 18819 1 709 . 1 1 61 61 ASP N N 15 116.713 0.008 . 1 . . . . 61 ASP N . 18819 1 710 . 1 1 62 62 GLU H H 1 7.750 0.001 . 1 . . . . 62 GLU H . 18819 1 711 . 1 1 62 62 GLU HA H 1 3.958 0.03 . 1 . . . . 62 GLU HA . 18819 1 712 . 1 1 62 62 GLU HB2 H 1 1.899 0.03 . 1 . . . . 62 GLU HB2 . 18819 1 713 . 1 1 62 62 GLU HB3 H 1 1.899 0.03 . 1 . . . . 62 GLU HB3 . 18819 1 714 . 1 1 62 62 GLU HG2 H 1 2.154 0.003 . 1 . . . . 62 GLU HG2 . 18819 1 715 . 1 1 62 62 GLU HG3 H 1 2.154 0.003 . 1 . . . . 62 GLU HG3 . 18819 1 716 . 1 1 62 62 GLU C C 13 179.823 0.3 . 1 . . . . 62 GLU C . 18819 1 717 . 1 1 62 62 GLU CA C 13 58.855 0.099 . 1 . . . . 62 GLU CA . 18819 1 718 . 1 1 62 62 GLU CB C 13 30.235 0.141 . 1 . . . . 62 GLU CB . 18819 1 719 . 1 1 62 62 GLU CG C 13 36.843 0.054 . 1 . . . . 62 GLU CG . 18819 1 720 . 1 1 62 62 GLU N N 15 118.810 0.126 . 1 . . . . 62 GLU N . 18819 1 721 . 1 1 63 63 LEU H H 1 8.020 0.001 . 1 . . . . 63 LEU H . 18819 1 722 . 1 1 63 63 LEU HA H 1 3.779 0.03 . 1 . . . . 63 LEU HA . 18819 1 723 . 1 1 63 63 LEU HB2 H 1 1.729 0.03 . 1 . . . . 63 LEU HB2 . 18819 1 724 . 1 1 63 63 LEU HB3 H 1 1.867 0.03 . 1 . . . . 63 LEU HB3 . 18819 1 725 . 1 1 63 63 LEU HG H 1 1.229 0.03 . 1 . . . . 63 LEU HG . 18819 1 726 . 1 1 63 63 LEU HD11 H 1 0.548 0.03 . 1 . . . . 63 LEU HD11 . 18819 1 727 . 1 1 63 63 LEU HD12 H 1 0.548 0.03 . 1 . . . . 63 LEU HD12 . 18819 1 728 . 1 1 63 63 LEU HD13 H 1 0.548 0.03 . 1 . . . . 63 LEU HD13 . 18819 1 729 . 1 1 63 63 LEU HD21 H 1 0.690 0.03 . 1 . . . . 63 LEU HD21 . 18819 1 730 . 1 1 63 63 LEU HD22 H 1 0.690 0.03 . 1 . . . . 63 LEU HD22 . 18819 1 731 . 1 1 63 63 LEU HD23 H 1 0.690 0.03 . 1 . . . . 63 LEU HD23 . 18819 1 732 . 1 1 63 63 LEU C C 13 178.024 0.3 . 1 . . . . 63 LEU C . 18819 1 733 . 1 1 63 63 LEU CA C 13 57.774 0.089 . 1 . . . . 63 LEU CA . 18819 1 734 . 1 1 63 63 LEU CB C 13 42.221 0.030 . 1 . . . . 63 LEU CB . 18819 1 735 . 1 1 63 63 LEU CG C 13 25.451 0.3 . 1 . . . . 63 LEU CG . 18819 1 736 . 1 1 63 63 LEU CD1 C 13 23.466 0.3 . 1 . . . . 63 LEU CD1 . 18819 1 737 . 1 1 63 63 LEU CD2 C 13 25.104 0.3 . 1 . . . . 63 LEU CD2 . 18819 1 738 . 1 1 63 63 LEU N N 15 119.216 0.007 . 1 . . . . 63 LEU N . 18819 1 739 . 1 1 64 64 ASP H H 1 7.372 0.003 . 1 . . . . 64 ASP H . 18819 1 740 . 1 1 64 64 ASP HA H 1 4.350 0.002 . 1 . . . . 64 ASP HA . 18819 1 741 . 1 1 64 64 ASP HB2 H 1 2.555 0.03 . 1 . . . . 64 ASP HB2 . 18819 1 742 . 1 1 64 64 ASP HB3 H 1 2.557 0.002 . 1 . . . . 64 ASP HB3 . 18819 1 743 . 1 1 64 64 ASP C C 13 176.570 0.3 . 1 . . . . 64 ASP C . 18819 1 744 . 1 1 64 64 ASP CA C 13 56.164 0.053 . 1 . . . . 64 ASP CA . 18819 1 745 . 1 1 64 64 ASP CB C 13 41.123 0.013 . 1 . . . . 64 ASP CB . 18819 1 746 . 1 1 64 64 ASP N N 15 114.323 0.022 . 1 . . . . 64 ASP N . 18819 1 747 . 1 1 65 65 LEU H H 1 6.991 0.002 . 1 . . . . 65 LEU H . 18819 1 748 . 1 1 65 65 LEU HA H 1 4.303 0.005 . 1 . . . . 65 LEU HA . 18819 1 749 . 1 1 65 65 LEU HB2 H 1 1.611 0.001 . 1 . . . . 65 LEU HB2 . 18819 1 750 . 1 1 65 65 LEU HB3 H 1 1.611 0.001 . 1 . . . . 65 LEU HB3 . 18819 1 751 . 1 1 65 65 LEU HD11 H 1 0.746 0.03 . 1 . . . . 65 LEU HD11 . 18819 1 752 . 1 1 65 65 LEU HD12 H 1 0.746 0.03 . 1 . . . . 65 LEU HD12 . 18819 1 753 . 1 1 65 65 LEU HD13 H 1 0.746 0.03 . 1 . . . . 65 LEU HD13 . 18819 1 754 . 1 1 65 65 LEU HD21 H 1 0.797 0.03 . 1 . . . . 65 LEU HD21 . 18819 1 755 . 1 1 65 65 LEU HD22 H 1 0.797 0.03 . 1 . . . . 65 LEU HD22 . 18819 1 756 . 1 1 65 65 LEU HD23 H 1 0.797 0.03 . 1 . . . . 65 LEU HD23 . 18819 1 757 . 1 1 65 65 LEU C C 13 177.612 0.3 . 1 . . . . 65 LEU C . 18819 1 758 . 1 1 65 65 LEU CA C 13 54.196 0.055 . 1 . . . . 65 LEU CA . 18819 1 759 . 1 1 65 65 LEU CB C 13 43.118 0.059 . 1 . . . . 65 LEU CB . 18819 1 760 . 1 1 65 65 LEU CD1 C 13 22.529 0.3 . 1 . . . . 65 LEU CD1 . 18819 1 761 . 1 1 65 65 LEU CD2 C 13 25.127 0.3 . 1 . . . . 65 LEU CD2 . 18819 1 762 . 1 1 65 65 LEU N N 15 115.811 0.011 . 1 . . . . 65 LEU N . 18819 1 763 . 1 1 66 66 LEU H H 1 6.997 0.001 . 1 . . . . 66 LEU H . 18819 1 764 . 1 1 66 66 LEU HA H 1 4.000 0.003 . 1 . . . . 66 LEU HA . 18819 1 765 . 1 1 66 66 LEU HB2 H 1 1.119 0.001 . 1 . . . . 66 LEU HB2 . 18819 1 766 . 1 1 66 66 LEU HB3 H 1 1.692 0.002 . 1 . . . . 66 LEU HB3 . 18819 1 767 . 1 1 66 66 LEU HG H 1 2.132 0.002 . 1 . . . . 66 LEU HG . 18819 1 768 . 1 1 66 66 LEU HD11 H 1 0.687 0.03 . 1 . . . . 66 LEU HD11 . 18819 1 769 . 1 1 66 66 LEU HD12 H 1 0.687 0.03 . 1 . . . . 66 LEU HD12 . 18819 1 770 . 1 1 66 66 LEU HD13 H 1 0.687 0.03 . 1 . . . . 66 LEU HD13 . 18819 1 771 . 1 1 66 66 LEU HD21 H 1 0.809 0.03 . 1 . . . . 66 LEU HD21 . 18819 1 772 . 1 1 66 66 LEU HD22 H 1 0.809 0.03 . 1 . . . . 66 LEU HD22 . 18819 1 773 . 1 1 66 66 LEU HD23 H 1 0.809 0.03 . 1 . . . . 66 LEU HD23 . 18819 1 774 . 1 1 66 66 LEU C C 13 176.853 0.3 . 1 . . . . 66 LEU C . 18819 1 775 . 1 1 66 66 LEU CA C 13 55.863 0.046 . 1 . . . . 66 LEU CA . 18819 1 776 . 1 1 66 66 LEU CB C 13 42.842 0.031 . 1 . . . . 66 LEU CB . 18819 1 777 . 1 1 66 66 LEU CG C 13 25.553 0.3 . 1 . . . . 66 LEU CG . 18819 1 778 . 1 1 66 66 LEU CD1 C 13 22.936 0.3 . 1 . . . . 66 LEU CD1 . 18819 1 779 . 1 1 66 66 LEU CD2 C 13 25.545 0.007 . 1 . . . . 66 LEU CD2 . 18819 1 780 . 1 1 66 66 LEU N N 15 119.137 0.010 . 1 . . . . 66 LEU N . 18819 1 781 . 1 1 67 67 GLU H H 1 9.271 0.003 . 1 . . . . 67 GLU H . 18819 1 782 . 1 1 67 67 GLU HA H 1 4.417 0.001 . 1 . . . . 67 GLU HA . 18819 1 783 . 1 1 67 67 GLU HB2 H 1 2.136 0.03 . 1 . . . . 67 GLU HB2 . 18819 1 784 . 1 1 67 67 GLU HB3 H 1 2.136 0.03 . 1 . . . . 67 GLU HB3 . 18819 1 785 . 1 1 67 67 GLU HG2 H 1 2.420 0.006 . 1 . . . . 67 GLU HG2 . 18819 1 786 . 1 1 67 67 GLU HG3 H 1 2.419 0.03 . 1 . . . . 67 GLU HG3 . 18819 1 787 . 1 1 67 67 GLU C C 13 178.904 0.3 . 1 . . . . 67 GLU C . 18819 1 788 . 1 1 67 67 GLU CA C 13 57.730 0.054 . 1 . . . . 67 GLU CA . 18819 1 789 . 1 1 67 67 GLU CB C 13 32.115 0.098 . 1 . . . . 67 GLU CB . 18819 1 790 . 1 1 67 67 GLU CG C 13 36.838 0.040 . 1 . . . . 67 GLU CG . 18819 1 791 . 1 1 67 67 GLU N N 15 119.577 0.009 . 1 . . . . 67 GLU N . 18819 1 792 . 1 1 68 68 THR H H 1 7.588 0.002 . 1 . . . . 68 THR H . 18819 1 793 . 1 1 68 68 THR HA H 1 5.171 0.003 . 1 . . . . 68 THR HA . 18819 1 794 . 1 1 68 68 THR HB H 1 4.376 0.03 . 1 . . . . 68 THR HB . 18819 1 795 . 1 1 68 68 THR HG21 H 1 1.077 0.001 . 1 . . . . 68 THR HG21 . 18819 1 796 . 1 1 68 68 THR HG22 H 1 1.077 0.001 . 1 . . . . 68 THR HG22 . 18819 1 797 . 1 1 68 68 THR HG23 H 1 1.077 0.001 . 1 . . . . 68 THR HG23 . 18819 1 798 . 1 1 68 68 THR C C 13 174.411 0.3 . 1 . . . . 68 THR C . 18819 1 799 . 1 1 68 68 THR CA C 13 59.009 0.043 . 1 . . . . 68 THR CA . 18819 1 800 . 1 1 68 68 THR CB C 13 73.457 0.040 . 1 . . . . 68 THR CB . 18819 1 801 . 1 1 68 68 THR CG2 C 13 21.882 0.018 . 1 . . . . 68 THR CG2 . 18819 1 802 . 1 1 68 68 THR N N 15 109.286 0.065 . 1 . . . . 68 THR N . 18819 1 803 . 1 1 69 69 VAL H H 1 8.204 0.001 . 1 . . . . 69 VAL H . 18819 1 804 . 1 1 69 69 VAL HA H 1 3.308 0.002 . 1 . . . . 69 VAL HA . 18819 1 805 . 1 1 69 69 VAL HB H 1 2.149 0.003 . 1 . . . . 69 VAL HB . 18819 1 806 . 1 1 69 69 VAL HG11 H 1 0.339 0.03 . 1 . . . . 69 VAL HG11 . 18819 1 807 . 1 1 69 69 VAL HG12 H 1 0.339 0.03 . 1 . . . . 69 VAL HG12 . 18819 1 808 . 1 1 69 69 VAL HG13 H 1 0.339 0.03 . 1 . . . . 69 VAL HG13 . 18819 1 809 . 1 1 69 69 VAL HG21 H 1 0.694 0.03 . 1 . . . . 69 VAL HG21 . 18819 1 810 . 1 1 69 69 VAL HG22 H 1 0.694 0.03 . 1 . . . . 69 VAL HG22 . 18819 1 811 . 1 1 69 69 VAL HG23 H 1 0.694 0.03 . 1 . . . . 69 VAL HG23 . 18819 1 812 . 1 1 69 69 VAL C C 13 177.980 0.3 . 1 . . . . 69 VAL C . 18819 1 813 . 1 1 69 69 VAL CA C 13 66.589 0.078 . 1 . . . . 69 VAL CA . 18819 1 814 . 1 1 69 69 VAL CB C 13 30.595 0.053 . 1 . . . . 69 VAL CB . 18819 1 815 . 1 1 69 69 VAL CG1 C 13 22.193 0.3 . 1 . . . . 69 VAL CG1 . 18819 1 816 . 1 1 69 69 VAL CG2 C 13 25.077 0.3 . 1 . . . . 69 VAL CG2 . 18819 1 817 . 1 1 69 69 VAL N N 15 121.503 0.014 . 1 . . . . 69 VAL N . 18819 1 818 . 1 1 70 70 ASP H H 1 8.382 0.002 . 1 . . . . 70 ASP H . 18819 1 819 . 1 1 70 70 ASP HA H 1 4.219 0.03 . 1 . . . . 70 ASP HA . 18819 1 820 . 1 1 70 70 ASP HB2 H 1 2.412 0.03 . 1 . . . . 70 ASP HB2 . 18819 1 821 . 1 1 70 70 ASP HB3 H 1 2.776 0.03 . 1 . . . . 70 ASP HB3 . 18819 1 822 . 1 1 70 70 ASP C C 13 178.310 0.3 . 1 . . . . 70 ASP C . 18819 1 823 . 1 1 70 70 ASP CA C 13 58.238 0.065 . 1 . . . . 70 ASP CA . 18819 1 824 . 1 1 70 70 ASP CB C 13 42.103 0.016 . 1 . . . . 70 ASP CB . 18819 1 825 . 1 1 70 70 ASP N N 15 120.540 0.010 . 1 . . . . 70 ASP N . 18819 1 826 . 1 1 71 71 GLU H H 1 7.517 0.001 . 1 . . . . 71 GLU H . 18819 1 827 . 1 1 71 71 GLU HA H 1 3.822 0.03 . 1 . . . . 71 GLU HA . 18819 1 828 . 1 1 71 71 GLU HB2 H 1 2.022 0.03 . 1 . . . . 71 GLU HB2 . 18819 1 829 . 1 1 71 71 GLU HB3 H 1 2.346 0.03 . 1 . . . . 71 GLU HB3 . 18819 1 830 . 1 1 71 71 GLU HG2 H 1 2.166 0.03 . 1 . . . . 71 GLU HG2 . 18819 1 831 . 1 1 71 71 GLU HG3 H 1 2.433 0.03 . 1 . . . . 71 GLU HG3 . 18819 1 832 . 1 1 71 71 GLU C C 13 179.855 0.3 . 1 . . . . 71 GLU C . 18819 1 833 . 1 1 71 71 GLU CA C 13 59.482 0.025 . 1 . . . . 71 GLU CA . 18819 1 834 . 1 1 71 71 GLU CB C 13 30.407 0.107 . 1 . . . . 71 GLU CB . 18819 1 835 . 1 1 71 71 GLU CG C 13 36.953 0.002 . 1 . . . . 71 GLU CG . 18819 1 836 . 1 1 71 71 GLU N N 15 115.771 0.010 . 1 . . . . 71 GLU N . 18819 1 837 . 1 1 72 72 LEU H H 1 7.541 0.002 . 1 . . . . 72 LEU H . 18819 1 838 . 1 1 72 72 LEU HA H 1 4.034 0.03 . 1 . . . . 72 LEU HA . 18819 1 839 . 1 1 72 72 LEU HB2 H 1 1.294 0.03 . 1 . . . . 72 LEU HB2 . 18819 1 840 . 1 1 72 72 LEU HB3 H 1 2.345 0.03 . 1 . . . . 72 LEU HB3 . 18819 1 841 . 1 1 72 72 LEU HG H 1 1.431 0.03 . 1 . . . . 72 LEU HG . 18819 1 842 . 1 1 72 72 LEU HD11 H 1 0.754 0.03 . 1 . . . . 72 LEU HD11 . 18819 1 843 . 1 1 72 72 LEU HD12 H 1 0.754 0.03 . 1 . . . . 72 LEU HD12 . 18819 1 844 . 1 1 72 72 LEU HD13 H 1 0.754 0.03 . 1 . . . . 72 LEU HD13 . 18819 1 845 . 1 1 72 72 LEU HD21 H 1 0.754 0.03 . 1 . . . . 72 LEU HD21 . 18819 1 846 . 1 1 72 72 LEU HD22 H 1 0.754 0.03 . 1 . . . . 72 LEU HD22 . 18819 1 847 . 1 1 72 72 LEU HD23 H 1 0.754 0.03 . 1 . . . . 72 LEU HD23 . 18819 1 848 . 1 1 72 72 LEU C C 13 177.746 0.3 . 1 . . . . 72 LEU C . 18819 1 849 . 1 1 72 72 LEU CA C 13 57.851 0.056 . 1 . . . . 72 LEU CA . 18819 1 850 . 1 1 72 72 LEU CB C 13 40.370 0.024 . 1 . . . . 72 LEU CB . 18819 1 851 . 1 1 72 72 LEU CG C 13 27.398 0.3 . 1 . . . . 72 LEU CG . 18819 1 852 . 1 1 72 72 LEU CD1 C 13 23.264 0.3 . 1 . . . . 72 LEU CD1 . 18819 1 853 . 1 1 72 72 LEU CD2 C 13 27.199 0.3 . 1 . . . . 72 LEU CD2 . 18819 1 854 . 1 1 72 72 LEU N N 15 122.325 0.013 . 1 . . . . 72 LEU N . 18819 1 855 . 1 1 73 73 PHE H H 1 8.234 0.002 . 1 . . . . 73 PHE H . 18819 1 856 . 1 1 73 73 PHE HA H 1 3.893 0.03 . 1 . . . . 73 PHE HA . 18819 1 857 . 1 1 73 73 PHE HB2 H 1 3.102 0.002 . 1 . . . . 73 PHE HB2 . 18819 1 858 . 1 1 73 73 PHE HB3 H 1 3.432 0.03 . 1 . . . . 73 PHE HB3 . 18819 1 859 . 1 1 73 73 PHE HD1 H 1 7.149 0.03 . 3 . . . . 73 PHE HD1 . 18819 1 860 . 1 1 73 73 PHE HD2 H 1 7.149 0.03 . 3 . . . . 73 PHE HD2 . 18819 1 861 . 1 1 73 73 PHE HE1 H 1 7.013 0.03 . 3 . . . . 73 PHE HE1 . 18819 1 862 . 1 1 73 73 PHE HE2 H 1 7.013 0.03 . 3 . . . . 73 PHE HE2 . 18819 1 863 . 1 1 73 73 PHE C C 13 178.300 0.3 . 1 . . . . 73 PHE C . 18819 1 864 . 1 1 73 73 PHE CA C 13 60.426 0.072 . 1 . . . . 73 PHE CA . 18819 1 865 . 1 1 73 73 PHE CB C 13 37.303 0.047 . 1 . . . . 73 PHE CB . 18819 1 866 . 1 1 73 73 PHE CD1 C 13 130.833 0.3 . 3 . . . . 73 PHE CD1 . 18819 1 867 . 1 1 73 73 PHE CD2 C 13 130.833 0.3 . 3 . . . . 73 PHE CD2 . 18819 1 868 . 1 1 73 73 PHE CE1 C 13 130.866 0.3 . 3 . . . . 73 PHE CE1 . 18819 1 869 . 1 1 73 73 PHE CE2 C 13 130.866 0.3 . 3 . . . . 73 PHE CE2 . 18819 1 870 . 1 1 73 73 PHE CZ C 13 125.849 0.3 . 1 . . . . 73 PHE CZ . 18819 1 871 . 1 1 73 73 PHE N N 15 119.428 0.013 . 1 . . . . 73 PHE N . 18819 1 872 . 1 1 74 74 GLN H H 1 8.138 0.001 . 1 . . . . 74 GLN H . 18819 1 873 . 1 1 74 74 GLN HA H 1 3.959 0.03 . 1 . . . . 74 GLN HA . 18819 1 874 . 1 1 74 74 GLN HB2 H 1 1.982 0.018 . 1 . . . . 74 GLN HB2 . 18819 1 875 . 1 1 74 74 GLN HB3 H 1 2.073 0.001 . 1 . . . . 74 GLN HB3 . 18819 1 876 . 1 1 74 74 GLN HG2 H 1 2.330 0.003 . 1 . . . . 74 GLN HG2 . 18819 1 877 . 1 1 74 74 GLN HG3 H 1 2.500 0.03 . 1 . . . . 74 GLN HG3 . 18819 1 878 . 1 1 74 74 GLN HE21 H 1 6.776 0.003 . 1 . . . . 74 GLN HE21 . 18819 1 879 . 1 1 74 74 GLN HE22 H 1 7.323 0.003 . 1 . . . . 74 GLN HE22 . 18819 1 880 . 1 1 74 74 GLN C C 13 178.154 0.3 . 1 . . . . 74 GLN C . 18819 1 881 . 1 1 74 74 GLN CA C 13 59.064 0.045 . 1 . . . . 74 GLN CA . 18819 1 882 . 1 1 74 74 GLN CB C 13 28.744 0.034 . 1 . . . . 74 GLN CB . 18819 1 883 . 1 1 74 74 GLN CG C 13 34.119 0.057 . 1 . . . . 74 GLN CG . 18819 1 884 . 1 1 74 74 GLN N N 15 116.886 0.006 . 1 . . . . 74 GLN N . 18819 1 885 . 1 1 74 74 GLN NE2 N 15 112.767 0.108 . 1 . . . . 74 GLN NE2 . 18819 1 886 . 1 1 75 75 LEU H H 1 7.818 0.003 . 1 . . . . 75 LEU H . 18819 1 887 . 1 1 75 75 LEU HA H 1 4.109 0.03 . 1 . . . . 75 LEU HA . 18819 1 888 . 1 1 75 75 LEU HB2 H 1 1.754 0.03 . 1 . . . . 75 LEU HB2 . 18819 1 889 . 1 1 75 75 LEU HB3 H 1 1.970 0.03 . 1 . . . . 75 LEU HB3 . 18819 1 890 . 1 1 75 75 LEU HG H 1 1.489 0.03 . 1 . . . . 75 LEU HG . 18819 1 891 . 1 1 75 75 LEU HD11 H 1 0.653 0.03 . 1 . . . . 75 LEU HD11 . 18819 1 892 . 1 1 75 75 LEU HD12 H 1 0.653 0.03 . 1 . . . . 75 LEU HD12 . 18819 1 893 . 1 1 75 75 LEU HD13 H 1 0.653 0.03 . 1 . . . . 75 LEU HD13 . 18819 1 894 . 1 1 75 75 LEU HD21 H 1 0.831 0.03 . 1 . . . . 75 LEU HD21 . 18819 1 895 . 1 1 75 75 LEU HD22 H 1 0.831 0.03 . 1 . . . . 75 LEU HD22 . 18819 1 896 . 1 1 75 75 LEU HD23 H 1 0.831 0.03 . 1 . . . . 75 LEU HD23 . 18819 1 897 . 1 1 75 75 LEU C C 13 178.962 0.3 . 1 . . . . 75 LEU C . 18819 1 898 . 1 1 75 75 LEU CA C 13 58.749 0.067 . 1 . . . . 75 LEU CA . 18819 1 899 . 1 1 75 75 LEU CB C 13 42.230 0.030 . 1 . . . . 75 LEU CB . 18819 1 900 . 1 1 75 75 LEU CG C 13 27.128 0.3 . 1 . . . . 75 LEU CG . 18819 1 901 . 1 1 75 75 LEU CD1 C 13 25.531 0.3 . 1 . . . . 75 LEU CD1 . 18819 1 902 . 1 1 75 75 LEU CD2 C 13 25.531 0.3 . 1 . . . . 75 LEU CD2 . 18819 1 903 . 1 1 75 75 LEU N N 15 121.706 0.142 . 1 . . . . 75 LEU N . 18819 1 904 . 1 1 76 76 VAL H H 1 8.047 0.004 . 1 . . . . 76 VAL H . 18819 1 905 . 1 1 76 76 VAL HA H 1 3.277 0.03 . 1 . . . . 76 VAL HA . 18819 1 906 . 1 1 76 76 VAL HB H 1 1.860 0.03 . 1 . . . . 76 VAL HB . 18819 1 907 . 1 1 76 76 VAL HG11 H 1 0.518 0.03 . 1 . . . . 76 VAL HG11 . 18819 1 908 . 1 1 76 76 VAL HG12 H 1 0.518 0.03 . 1 . . . . 76 VAL HG12 . 18819 1 909 . 1 1 76 76 VAL HG13 H 1 0.518 0.03 . 1 . . . . 76 VAL HG13 . 18819 1 910 . 1 1 76 76 VAL HG21 H 1 0.677 0.03 . 1 . . . . 76 VAL HG21 . 18819 1 911 . 1 1 76 76 VAL HG22 H 1 0.677 0.03 . 1 . . . . 76 VAL HG22 . 18819 1 912 . 1 1 76 76 VAL HG23 H 1 0.677 0.03 . 1 . . . . 76 VAL HG23 . 18819 1 913 . 1 1 76 76 VAL C C 13 177.453 0.3 . 1 . . . . 76 VAL C . 18819 1 914 . 1 1 76 76 VAL CA C 13 67.369 0.107 . 1 . . . . 76 VAL CA . 18819 1 915 . 1 1 76 76 VAL CB C 13 31.053 0.039 . 1 . . . . 76 VAL CB . 18819 1 916 . 1 1 76 76 VAL CG1 C 13 21.445 0.3 . 1 . . . . 76 VAL CG1 . 18819 1 917 . 1 1 76 76 VAL CG2 C 13 23.914 0.3 . 1 . . . . 76 VAL CG2 . 18819 1 918 . 1 1 76 76 VAL N N 15 118.928 0.016 . 1 . . . . 76 VAL N . 18819 1 919 . 1 1 77 77 GLU H H 1 8.169 0.001 . 1 . . . . 77 GLU H . 18819 1 920 . 1 1 77 77 GLU HA H 1 3.869 0.03 . 1 . . . . 77 GLU HA . 18819 1 921 . 1 1 77 77 GLU HB2 H 1 1.984 0.03 . 1 . . . . 77 GLU HB2 . 18819 1 922 . 1 1 77 77 GLU HB3 H 1 1.984 0.03 . 1 . . . . 77 GLU HB3 . 18819 1 923 . 1 1 77 77 GLU HG2 H 1 2.206 0.006 . 1 . . . . 77 GLU HG2 . 18819 1 924 . 1 1 77 77 GLU HG3 H 1 2.206 0.006 . 1 . . . . 77 GLU HG3 . 18819 1 925 . 1 1 77 77 GLU C C 13 178.690 0.3 . 1 . . . . 77 GLU C . 18819 1 926 . 1 1 77 77 GLU CA C 13 59.659 0.096 . 1 . . . . 77 GLU CA . 18819 1 927 . 1 1 77 77 GLU CB C 13 29.362 0.023 . 1 . . . . 77 GLU CB . 18819 1 928 . 1 1 77 77 GLU CG C 13 35.998 0.031 . 1 . . . . 77 GLU CG . 18819 1 929 . 1 1 77 77 GLU N N 15 119.066 0.139 . 1 . . . . 77 GLU N . 18819 1 930 . 1 1 78 78 LYS H H 1 7.789 0.001 . 1 . . . . 78 LYS H . 18819 1 931 . 1 1 78 78 LYS HA H 1 4.012 0.03 . 1 . . . . 78 LYS HA . 18819 1 932 . 1 1 78 78 LYS HB2 H 1 1.700 0.03 . 1 . . . . 78 LYS HB2 . 18819 1 933 . 1 1 78 78 LYS HB3 H 1 1.815 0.03 . 1 . . . . 78 LYS HB3 . 18819 1 934 . 1 1 78 78 LYS HG2 H 1 1.089 0.002 . 1 . . . . 78 LYS HG2 . 18819 1 935 . 1 1 78 78 LYS HG3 H 1 1.318 0.001 . 1 . . . . 78 LYS HG3 . 18819 1 936 . 1 1 78 78 LYS HD2 H 1 1.523 0.03 . 1 . . . . 78 LYS HD2 . 18819 1 937 . 1 1 78 78 LYS HD3 H 1 1.523 0.03 . 1 . . . . 78 LYS HD3 . 18819 1 938 . 1 1 78 78 LYS HE2 H 1 2.805 0.03 . 1 . . . . 78 LYS HE2 . 18819 1 939 . 1 1 78 78 LYS HE3 H 1 2.805 0.03 . 1 . . . . 78 LYS HE3 . 18819 1 940 . 1 1 78 78 LYS C C 13 177.971 0.3 . 1 . . . . 78 LYS C . 18819 1 941 . 1 1 78 78 LYS CA C 13 58.416 0.041 . 1 . . . . 78 LYS CA . 18819 1 942 . 1 1 78 78 LYS CB C 13 32.760 0.021 . 1 . . . . 78 LYS CB . 18819 1 943 . 1 1 78 78 LYS CG C 13 24.943 0.011 . 1 . . . . 78 LYS CG . 18819 1 944 . 1 1 78 78 LYS CD C 13 29.292 0.3 . 1 . . . . 78 LYS CD . 18819 1 945 . 1 1 78 78 LYS CE C 13 41.931 0.3 . 1 . . . . 78 LYS CE . 18819 1 946 . 1 1 78 78 LYS N N 15 116.423 0.007 . 1 . . . . 78 LYS N . 18819 1 947 . 1 1 79 79 HIS H H 1 7.620 0.002 . 1 . . . . 79 HIS H . 18819 1 948 . 1 1 79 79 HIS HA H 1 4.528 0.001 . 1 . . . . 79 HIS HA . 18819 1 949 . 1 1 79 79 HIS HB2 H 1 2.815 0.03 . 1 . . . . 79 HIS HB2 . 18819 1 950 . 1 1 79 79 HIS HB3 H 1 3.465 0.03 . 1 . . . . 79 HIS HB3 . 18819 1 951 . 1 1 79 79 HIS C C 13 174.655 0.3 . 1 . . . . 79 HIS C . 18819 1 952 . 1 1 79 79 HIS CA C 13 57.005 0.049 . 1 . . . . 79 HIS CA . 18819 1 953 . 1 1 79 79 HIS CB C 13 30.430 0.041 . 1 . . . . 79 HIS CB . 18819 1 954 . 1 1 79 79 HIS N N 15 114.794 0.011 . 1 . . . . 79 HIS N . 18819 1 955 . 1 1 80 80 ARG H H 1 7.881 0.001 . 1 . . . . 80 ARG H . 18819 1 956 . 1 1 80 80 ARG HA H 1 4.229 0.03 . 1 . . . . 80 ARG HA . 18819 1 957 . 1 1 80 80 ARG HB2 H 1 1.848 0.03 . 1 . . . . 80 ARG HB2 . 18819 1 958 . 1 1 80 80 ARG HB3 H 1 1.924 0.03 . 1 . . . . 80 ARG HB3 . 18819 1 959 . 1 1 80 80 ARG HG2 H 1 1.633 0.03 . 1 . . . . 80 ARG HG2 . 18819 1 960 . 1 1 80 80 ARG HG3 H 1 1.709 0.03 . 1 . . . . 80 ARG HG3 . 18819 1 961 . 1 1 80 80 ARG HD2 H 1 3.085 0.004 . 1 . . . . 80 ARG HD2 . 18819 1 962 . 1 1 80 80 ARG HD3 H 1 3.144 0.001 . 1 . . . . 80 ARG HD3 . 18819 1 963 . 1 1 80 80 ARG C C 13 175.459 0.3 . 1 . . . . 80 ARG C . 18819 1 964 . 1 1 80 80 ARG CA C 13 56.846 0.056 . 1 . . . . 80 ARG CA . 18819 1 965 . 1 1 80 80 ARG CB C 13 30.252 0.054 . 1 . . . . 80 ARG CB . 18819 1 966 . 1 1 80 80 ARG CG C 13 26.644 0.3 . 1 . . . . 80 ARG CG . 18819 1 967 . 1 1 80 80 ARG CD C 13 43.845 0.006 . 1 . . . . 80 ARG CD . 18819 1 968 . 1 1 80 80 ARG N N 15 120.666 0.005 . 1 . . . . 80 ARG N . 18819 1 969 . 1 1 81 81 ALA H H 1 8.129 0.001 . 1 . . . . 81 ALA H . 18819 1 970 . 1 1 81 81 ALA HA H 1 4.323 0.001 . 1 . . . . 81 ALA HA . 18819 1 971 . 1 1 81 81 ALA HB1 H 1 1.378 0.001 . 1 . . . . 81 ALA HB1 . 18819 1 972 . 1 1 81 81 ALA HB2 H 1 1.378 0.001 . 1 . . . . 81 ALA HB2 . 18819 1 973 . 1 1 81 81 ALA HB3 H 1 1.378 0.001 . 1 . . . . 81 ALA HB3 . 18819 1 974 . 1 1 81 81 ALA C C 13 176.263 0.3 . 1 . . . . 81 ALA C . 18819 1 975 . 1 1 81 81 ALA CA C 13 52.353 0.107 . 1 . . . . 81 ALA CA . 18819 1 976 . 1 1 81 81 ALA CB C 13 19.273 0.099 . 1 . . . . 81 ALA CB . 18819 1 977 . 1 1 81 81 ALA N N 15 125.417 0.006 . 1 . . . . 81 ALA N . 18819 1 978 . 1 1 82 82 ALA H H 1 7.837 0.001 . 1 . . . . 82 ALA H . 18819 1 979 . 1 1 82 82 ALA HA H 1 4.053 0.03 . 1 . . . . 82 ALA HA . 18819 1 980 . 1 1 82 82 ALA HB1 H 1 1.261 0.03 . 1 . . . . 82 ALA HB1 . 18819 1 981 . 1 1 82 82 ALA HB2 H 1 1.261 0.03 . 1 . . . . 82 ALA HB2 . 18819 1 982 . 1 1 82 82 ALA HB3 H 1 1.261 0.03 . 1 . . . . 82 ALA HB3 . 18819 1 983 . 1 1 82 82 ALA CA C 13 53.852 0.3 . 1 . . . . 82 ALA CA . 18819 1 984 . 1 1 82 82 ALA CB C 13 20.112 0.048 . 1 . . . . 82 ALA CB . 18819 1 985 . 1 1 82 82 ALA N N 15 129.434 0.005 . 1 . . . . 82 ALA N . 18819 1 stop_ save_