data_15449 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15449 _Entry.Title ; Type I rat fatty acid synthase acyl carrier protein (ACP) domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-30 _Entry.Accession_date 2007-08-30 _Entry.Last_release_date 2008-01-28 _Entry.Original_release_date 2008-01-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 E. Ploskon E. A. . 15449 2 C. Arthur C. J. . 15449 3 S. Evans S. E. . 15449 4 C. Williams C. . . 15449 5 J. Crosby J. . . 15449 6 M. Crump M. P. . 15449 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acyl carrier protein' . 15449 'fatty acid synthase' . 15449 'helical bundle' . 15449 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15449 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 15449 '15N chemical shifts' 88 15449 '1H chemical shifts' 609 15449 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 1 . . 2008-01-28 2007-08-30 original author . 15449 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2PNG 'BMRB Entry Tracking System' 15449 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15449 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17971456 _Citation.Full_citation . _Citation.Title 'A Mammalian Type I fatty acid synthase acyl carrier protein domain does not bind acyl chains' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 1 _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 518 _Citation.Page_last 528 _Citation.Year 2008 _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 E. Ploskon E. A. . 15449 1 2 C. Arthur C. J. . 15449 1 3 S. Evans S. E. . 15449 1 4 C. Williams C. . . 15449 1 5 J. Crosby J. . . 15449 1 6 T. Simpson T. J. . 15449 1 7 M. Crump M. P. . 15449 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15449 _Assembly.ID 1 _Assembly.Name 'ACP domain from rat' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'subunit 1' 1 $Fatty_acid_synthase_(EC_2.3.1.85) A . yes native no no . . . 15449 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fatty_acid_synthase_(EC_2.3.1.85) _Entity.Sf_category entity _Entity.Sf_framecode Fatty_acid_synthase_(EC_2.3.1.85) _Entity.Entry_ID 15449 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fatty_acid_synthase_(EC_2.3.1.85) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GDGEAQRDLVKAVAHILGIR DLAGINLDSSLADLGLDSLM GVEVRQILEREHDLVLPIRE VRQLTLRKLQEMSSKAGSDT ELAAPKSKN ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'RESIDUES 2114-2202, ACYL CARRIER PROTEIN' _Entity.Mutation . _Entity.EC_number 2.3.1.85 _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 2015-11-26 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 PDB 2PNG . "Type I Rat Fatty Acid Synthase Acyl Carrier Protein (Acp) Domain" . . . . . 100.00 89 100.00 100.00 2.90e-53 . . . . 15449 1 2 no EMBL CAA31780 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 2431 100.00 100.00 3.44e-48 . . . . 15449 1 3 no EMBL CAA31882 . "acyl carrier protein (405 AA); fatty acid synthetase domain [Rattus norvegicus]" . . . . . 100.00 404 100.00 100.00 7.88e-51 . . . . 15449 1 4 no EMBL CAA44679 . "fatty-acid synthase [Rattus norvegicus]" . . . . . 100.00 2505 100.00 100.00 4.04e-48 . . . . 15449 1 5 no EMBL CAA44680 . "fatty acid synthase [Rattus norvegicus]" . . . . . 100.00 2505 100.00 100.00 4.04e-48 . . . . 15449 1 6 no GB AAA41144 . "fatty acid synthetase, partial [Rattus norvegicus]" . . . . . 100.00 421 100.00 100.00 7.34e-51 . . . . 15449 1 7 no GB AAA41145 . "fatty acid synthase [Rattus norvegicus]" . . . . . 100.00 2505 100.00 100.00 3.85e-48 . . . . 15449 1 8 no GB AAA57219 . "fatty acid synthase [Rattus norvegicus]" . . . . . 100.00 2505 100.00 100.00 4.04e-48 . . . . 15449 1 9 no GB EDM06908 . "fatty acid synthase, isoform CRA_a [Rattus norvegicus]" . . . . . 100.00 1346 100.00 100.00 3.44e-48 . . . . 15449 1 10 no GB EDM06909 . "fatty acid synthase, isoform CRA_b [Rattus norvegicus]" . . . . . 100.00 2505 100.00 100.00 4.04e-48 . . . . 15449 1 11 no REF NP_059028 . "fatty acid synthase [Rattus norvegicus]" . . . . . 100.00 2505 100.00 100.00 4.04e-48 . . . . 15449 1 12 no SP P12785 . "RecName: Full=Fatty acid synthase; Includes: RecName: Full=[Acyl-carrier-protein] S-acetyltransferase; Includes: RecName: Full=" . . . . . 100.00 2505 100.00 100.00 4.04e-48 . . . . 15449 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 15449 1 Acetylation SWS-KEYWORD 15449 1 'Fatty acid biosynthesis' SWS-KEYWORD 15449 1 'Fatty acid synthase (EC 2.3.1.85)' RCSB_NAME 15449 1 Hydrolase SWS-KEYWORD 15449 1 'Lipid synthesis' SWS-KEYWORD 15449 1 Lyase SWS-KEYWORD 15449 1 'Multifunctional enzyme' SWS-KEYWORD 15449 1 NAD SWS-KEYWORD 15449 1 NADP SWS-KEYWORD 15449 1 Oxidoreductase SWS-KEYWORD 15449 1 Phosphopantetheine SWS-KEYWORD 15449 1 'Pyridoxal phosphate' SWS-KEYWORD 15449 1 Transferase SWS-KEYWORD 15449 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 . 15449 1 2 . ASP . 15449 1 3 . GLY . 15449 1 4 . GLU . 15449 1 5 . ALA . 15449 1 6 . GLN . 15449 1 7 . ARG . 15449 1 8 . ASP . 15449 1 9 . LEU . 15449 1 10 . VAL . 15449 1 11 . LYS . 15449 1 12 . ALA . 15449 1 13 . VAL . 15449 1 14 . ALA . 15449 1 15 . HIS . 15449 1 16 . ILE . 15449 1 17 . LEU . 15449 1 18 . GLY . 15449 1 19 . ILE . 15449 1 20 . ARG . 15449 1 21 . ASP . 15449 1 22 . LEU . 15449 1 23 . ALA . 15449 1 24 . GLY . 15449 1 25 . ILE . 15449 1 26 . ASN . 15449 1 27 . LEU . 15449 1 28 . ASP . 15449 1 29 . SER . 15449 1 30 . SER . 15449 1 31 . LEU . 15449 1 32 . ALA . 15449 1 33 . ASP . 15449 1 34 . LEU . 15449 1 35 . GLY . 15449 1 36 . LEU . 15449 1 37 . ASP . 15449 1 38 . SER . 15449 1 39 . LEU . 15449 1 40 . MET . 15449 1 41 . GLY . 15449 1 42 . VAL . 15449 1 43 . GLU . 15449 1 44 . VAL . 15449 1 45 . ARG . 15449 1 46 . GLN . 15449 1 47 . ILE . 15449 1 48 . LEU . 15449 1 49 . GLU . 15449 1 50 . ARG . 15449 1 51 . GLU . 15449 1 52 . HIS . 15449 1 53 . ASP . 15449 1 54 . LEU . 15449 1 55 . VAL . 15449 1 56 . LEU . 15449 1 57 . PRO . 15449 1 58 . ILE . 15449 1 59 . ARG . 15449 1 60 . GLU . 15449 1 61 . VAL . 15449 1 62 . ARG . 15449 1 63 . GLN . 15449 1 64 . LEU . 15449 1 65 . THR . 15449 1 66 . LEU . 15449 1 67 . ARG . 15449 1 68 . LYS . 15449 1 69 . LEU . 15449 1 70 . GLN . 15449 1 71 . GLU . 15449 1 72 . MET . 15449 1 73 . SER . 15449 1 74 . SER . 15449 1 75 . LYS . 15449 1 76 . ALA . 15449 1 77 . GLY . 15449 1 78 . SER . 15449 1 79 . ASP . 15449 1 80 . THR . 15449 1 81 . GLU . 15449 1 82 . LEU . 15449 1 83 . ALA . 15449 1 84 . ALA . 15449 1 85 . PRO . 15449 1 86 . LYS . 15449 1 87 . SER . 15449 1 88 . LYS . 15449 1 89 . ASN . 15449 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 15449 1 . ASP 2 2 15449 1 . GLY 3 3 15449 1 . GLU 4 4 15449 1 . ALA 5 5 15449 1 . GLN 6 6 15449 1 . ARG 7 7 15449 1 . ASP 8 8 15449 1 . LEU 9 9 15449 1 . VAL 10 10 15449 1 . LYS 11 11 15449 1 . ALA 12 12 15449 1 . VAL 13 13 15449 1 . ALA 14 14 15449 1 . HIS 15 15 15449 1 . ILE 16 16 15449 1 . LEU 17 17 15449 1 . GLY 18 18 15449 1 . ILE 19 19 15449 1 . ARG 20 20 15449 1 . ASP 21 21 15449 1 . LEU 22 22 15449 1 . ALA 23 23 15449 1 . GLY 24 24 15449 1 . ILE 25 25 15449 1 . ASN 26 26 15449 1 . LEU 27 27 15449 1 . ASP 28 28 15449 1 . SER 29 29 15449 1 . SER 30 30 15449 1 . LEU 31 31 15449 1 . ALA 32 32 15449 1 . ASP 33 33 15449 1 . LEU 34 34 15449 1 . GLY 35 35 15449 1 . LEU 36 36 15449 1 . ASP 37 37 15449 1 . SER 38 38 15449 1 . LEU 39 39 15449 1 . MET 40 40 15449 1 . GLY 41 41 15449 1 . VAL 42 42 15449 1 . GLU 43 43 15449 1 . VAL 44 44 15449 1 . ARG 45 45 15449 1 . GLN 46 46 15449 1 . ILE 47 47 15449 1 . LEU 48 48 15449 1 . GLU 49 49 15449 1 . ARG 50 50 15449 1 . GLU 51 51 15449 1 . HIS 52 52 15449 1 . ASP 53 53 15449 1 . LEU 54 54 15449 1 . VAL 55 55 15449 1 . LEU 56 56 15449 1 . PRO 57 57 15449 1 . ILE 58 58 15449 1 . ARG 59 59 15449 1 . GLU 60 60 15449 1 . VAL 61 61 15449 1 . ARG 62 62 15449 1 . GLN 63 63 15449 1 . LEU 64 64 15449 1 . THR 65 65 15449 1 . LEU 66 66 15449 1 . ARG 67 67 15449 1 . LYS 68 68 15449 1 . LEU 69 69 15449 1 . GLN 70 70 15449 1 . GLU 71 71 15449 1 . MET 72 72 15449 1 . SER 73 73 15449 1 . SER 74 74 15449 1 . LYS 75 75 15449 1 . ALA 76 76 15449 1 . GLY 77 77 15449 1 . SER 78 78 15449 1 . ASP 79 79 15449 1 . THR 80 80 15449 1 . GLU 81 81 15449 1 . LEU 82 82 15449 1 . ALA 83 83 15449 1 . ALA 84 84 15449 1 . PRO 85 85 15449 1 . LYS 86 86 15449 1 . SER 87 87 15449 1 . LYS 88 88 15449 1 . ASN 89 89 15449 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 15449 _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 $Fatty_acid_synthase_(EC_2.3.1.85) . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . Fasn . . . . 15449 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 15449 _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 $Fatty_acid_synthase_(EC_2.3.1.85) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . MR . pET15b . . . . . . 15449 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 15449 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1-2MM ACP; 20MM SODIUM DEUTEROACETATE, 1MM NAN3, 1MMDTT, PH 5.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '20MM SODIUM DEUTEROACETATE, 1MM NAN3, 1MMDTT, PH 5.5' _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 ACP . . . 1 $Fatty_acid_synthase_(EC_2.3.1.85) . . . 1 2 mM . . . . 15449 1 2 'sodium deuteroacetate' 'natural abundance' . . . . . . 20 . . mM . . . . 15449 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15449 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15449 1 5 D2O [U-2H] . . . . . . 10 . . % . . . . 15449 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15449 _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' 20 . mM 15449 1 pH 5.5 . pH 15449 1 pressure 1 . atm 15449 1 temperature 298 . K 15449 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15449 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15449 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15449 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15449 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15449 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15449 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 15449 _Software.ID 3 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15449 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15449 3 stop_ save_ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 15449 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15449 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15449 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15449 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15449 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15449 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 15449 _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 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15449 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 15449 _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 0.0 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 15449 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citations . . 1 $citations 15449 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 15449 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 15449 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_13C-separated_NOESY . . . 15449 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 GLY H H 1 8.535 . . . . . . . 3 GLY HN . 15449 1 2 . 1 1 3 3 GLY CA C 13 45.599 . . . . . . . 3 GLY CA . 15449 1 3 . 1 1 3 3 GLY N N 15 109.681 . . . . . . . 3 GLY N . 15449 1 4 . 1 1 4 4 GLU H H 1 8.166 . . . . . . . 4 GLU HN . 15449 1 5 . 1 1 4 4 GLU HA H 1 4.232 . . . . . . . 4 GLU HA . 15449 1 6 . 1 1 4 4 GLU HB2 H 1 2.023 . . . . . . . 4 GLU HB1 . 15449 1 7 . 1 1 4 4 GLU HB3 H 1 1.931 . . . . . . . 4 GLU HB2 . 15449 1 8 . 1 1 4 4 GLU HG2 H 1 2.208 . . . . . . . 4 GLU HG1 . 15449 1 9 . 1 1 4 4 GLU HG3 H 1 2.208 . . . . . . . 4 GLU HG2 . 15449 1 10 . 1 1 4 4 GLU CA C 13 56.763 . . . . . . . 4 GLU CA . 15449 1 11 . 1 1 4 4 GLU CB C 13 30.256 . . . . . . . 4 GLU CB . 15449 1 12 . 1 1 4 4 GLU CG C 13 36.339 . . . . . . . 4 GLU CG . 15449 1 13 . 1 1 4 4 GLU N N 15 120.653 . . . . . . . 4 GLU N . 15449 1 14 . 1 1 5 5 ALA H H 1 8.297 . . . . . . . 5 ALA HN . 15449 1 15 . 1 1 5 5 ALA HA H 1 4.238 . . . . . . . 5 ALA HA . 15449 1 16 . 1 1 5 5 ALA HB1 H 1 1.348 . . . . . . . 5 ALA HB1 . 15449 1 17 . 1 1 5 5 ALA HB2 H 1 1.348 . . . . . . . 5 ALA HB2 . 15449 1 18 . 1 1 5 5 ALA HB3 H 1 1.348 . . . . . . . 5 ALA HB3 . 15449 1 19 . 1 1 5 5 ALA CA C 13 52.824 . . . . . . . 5 ALA CA . 15449 1 20 . 1 1 5 5 ALA CB C 13 19.078 . . . . . . . 5 ALA CB . 15449 1 21 . 1 1 5 5 ALA N N 15 124.679 . . . . . . . 5 ALA N . 15449 1 22 . 1 1 6 6 GLN H H 1 8.259 . . . . . . . 6 GLN HN . 15449 1 23 . 1 1 6 6 GLN HA H 1 4.252 . . . . . . . 6 GLN HA . 15449 1 24 . 1 1 6 6 GLN HB2 H 1 2.057 . . . . . . . 6 GLN HB1 . 15449 1 25 . 1 1 6 6 GLN HB3 H 1 1.961 . . . . . . . 6 GLN HB2 . 15449 1 26 . 1 1 6 6 GLN HE21 H 1 6.805 . . . . . . . 6 GLN HE21 . 15449 1 27 . 1 1 6 6 GLN HE22 H 1 7.506 . . . . . . . 6 GLN HE22 . 15449 1 28 . 1 1 6 6 GLN HG2 H 1 2.324 . . . . . . . 6 GLN HG1 . 15449 1 29 . 1 1 6 6 GLN HG3 H 1 2.325 . . . . . . . 6 GLN HG2 . 15449 1 30 . 1 1 6 6 GLN CA C 13 56.031 . . . . . . . 6 GLN CA . 15449 1 31 . 1 1 6 6 GLN CB C 13 29.441 . . . . . . . 6 GLN CB . 15449 1 32 . 1 1 6 6 GLN CG C 13 34.051 . . . . . . . 6 GLN CG . 15449 1 33 . 1 1 6 6 GLN N N 15 119.348 . . . . . . . 6 GLN N . 15449 1 34 . 1 1 6 6 GLN NE2 N 15 112.965 . . . . . . . 6 GLN NE2 . 15449 1 35 . 1 1 7 7 ARG H H 1 8.399 . . . . . . . 7 ARG HN . 15449 1 36 . 1 1 7 7 ARG HA H 1 4.277 . . . . . . . 7 ARG HA . 15449 1 37 . 1 1 7 7 ARG HB2 H 1 1.836 . . . . . . . 7 ARG HB1 . 15449 1 38 . 1 1 7 7 ARG HB3 H 1 1.765 . . . . . . . 7 ARG HB2 . 15449 1 39 . 1 1 7 7 ARG HD2 H 1 3.121 . . . . . . . 7 ARG HD1 . 15449 1 40 . 1 1 7 7 ARG HD3 H 1 3.121 . . . . . . . 7 ARG HD2 . 15449 1 41 . 1 1 7 7 ARG HG2 H 1 1.599 . . . . . . . 7 ARG HG1 . 15449 1 42 . 1 1 7 7 ARG HG3 H 1 1.599 . . . . . . . 7 ARG HG2 . 15449 1 43 . 1 1 7 7 ARG CA C 13 56.167 . . . . . . . 7 ARG CA . 15449 1 44 . 1 1 7 7 ARG CB C 13 30.848 . . . . . . . 7 ARG CB . 15449 1 45 . 1 1 7 7 ARG CD C 13 43.520 . . . . . . . 7 ARG CD . 15449 1 46 . 1 1 7 7 ARG CG C 13 27.061 . . . . . . . 7 ARG CG . 15449 1 47 . 1 1 7 7 ARG N N 15 122.112 . . . . . . . 7 ARG N . 15449 1 48 . 1 1 8 8 ASP H H 1 8.219 . . . . . . . 8 ASP HN . 15449 1 49 . 1 1 8 8 ASP HA H 1 4.576 . . . . . . . 8 ASP HA . 15449 1 50 . 1 1 8 8 ASP HB2 H 1 2.763 . . . . . . . 8 ASP HB1 . 15449 1 51 . 1 1 8 8 ASP HB3 H 1 2.638 . . . . . . . 8 ASP HB2 . 15449 1 52 . 1 1 8 8 ASP CA C 13 54.287 . . . . . . . 8 ASP CA . 15449 1 53 . 1 1 8 8 ASP CB C 13 41.734 . . . . . . . 8 ASP CB . 15449 1 54 . 1 1 8 8 ASP N N 15 122.125 . . . . . . . 8 ASP N . 15449 1 55 . 1 1 9 9 LEU H H 1 8.468 . . . . . . . 9 LEU HN . 15449 1 56 . 1 1 9 9 LEU HA H 1 4.023 . . . . . . . 9 LEU HA . 15449 1 57 . 1 1 9 9 LEU HB2 H 1 1.584 . . . . . . . 9 LEU HB1 . 15449 1 58 . 1 1 9 9 LEU HB3 H 1 1.492 . . . . . . . 9 LEU HB2 . 15449 1 59 . 1 1 9 9 LEU HD11 H 1 0.577 . . . . . . . 9 LEU HD11 . 15449 1 60 . 1 1 9 9 LEU HD12 H 1 0.577 . . . . . . . 9 LEU HD12 . 15449 1 61 . 1 1 9 9 LEU HD13 H 1 0.577 . . . . . . . 9 LEU HD13 . 15449 1 62 . 1 1 9 9 LEU HD21 H 1 0.700 . . . . . . . 9 LEU HD21 . 15449 1 63 . 1 1 9 9 LEU HD22 H 1 0.700 . . . . . . . 9 LEU HD22 . 15449 1 64 . 1 1 9 9 LEU HD23 H 1 0.700 . . . . . . . 9 LEU HD23 . 15449 1 65 . 1 1 9 9 LEU HG H 1 1.487 . . . . . . . 9 LEU HG . 15449 1 66 . 1 1 9 9 LEU CA C 13 58.017 . . . . . . . 9 LEU CA . 15449 1 67 . 1 1 9 9 LEU CB C 13 42.777 . . . . . . . 9 LEU CB . 15449 1 68 . 1 1 9 9 LEU CD1 C 13 24.934 . . . . . . . 9 LEU CD1 . 15449 1 69 . 1 1 9 9 LEU CD2 C 13 23.838 . . . . . . . 9 LEU CD2 . 15449 1 70 . 1 1 9 9 LEU CG C 13 27.190 . . . . . . . 9 LEU CG . 15449 1 71 . 1 1 9 9 LEU N N 15 126.826 . . . . . . . 9 LEU N . 15449 1 72 . 1 1 10 10 VAL H H 1 7.896 . . . . . . . 10 VAL HN . 15449 1 73 . 1 1 10 10 VAL HA H 1 3.321 . . . . . . . 10 VAL HA . 15449 1 74 . 1 1 10 10 VAL HB H 1 2.139 . . . . . . . 10 VAL HB . 15449 1 75 . 1 1 10 10 VAL HG11 H 1 0.844 . . . . . . . 10 VAL HG11 . 15449 1 76 . 1 1 10 10 VAL HG12 H 1 0.844 . . . . . . . 10 VAL HG12 . 15449 1 77 . 1 1 10 10 VAL HG13 H 1 0.844 . . . . . . . 10 VAL HG13 . 15449 1 78 . 1 1 10 10 VAL HG21 H 1 0.941 . . . . . . . 10 VAL HG21 . 15449 1 79 . 1 1 10 10 VAL HG22 H 1 0.941 . . . . . . . 10 VAL HG22 . 15449 1 80 . 1 1 10 10 VAL HG23 H 1 0.941 . . . . . . . 10 VAL HG23 . 15449 1 81 . 1 1 10 10 VAL CA C 13 67.266 . . . . . . . 10 VAL CA . 15449 1 82 . 1 1 10 10 VAL CB C 13 31.080 . . . . . . . 10 VAL CB . 15449 1 83 . 1 1 10 10 VAL CG1 C 13 21.472 . . . . . . . 10 VAL CG1 . 15449 1 84 . 1 1 10 10 VAL CG2 C 13 23.828 . . . . . . . 10 VAL CG2 . 15449 1 85 . 1 1 10 10 VAL N N 15 117.941 . . . . . . . 10 VAL N . 15449 1 86 . 1 1 11 11 LYS H H 1 7.779 . . . . . . . 11 LYS HN . 15449 1 87 . 1 1 11 11 LYS HA H 1 3.794 . . . . . . . 11 LYS HA . 15449 1 88 . 1 1 11 11 LYS HB2 H 1 1.727 . . . . . . . 11 LYS HB1 . 15449 1 89 . 1 1 11 11 LYS HB3 H 1 1.727 . . . . . . . 11 LYS HB2 . 15449 1 90 . 1 1 11 11 LYS HD2 H 1 1.626 . . . . . . . 11 LYS HD1 . 15449 1 91 . 1 1 11 11 LYS HD3 H 1 1.626 . . . . . . . 11 LYS HD2 . 15449 1 92 . 1 1 11 11 LYS HE2 H 1 2.942 . . . . . . . 11 LYS HE1 . 15449 1 93 . 1 1 11 11 LYS HE3 H 1 2.942 . . . . . . . 11 LYS HE2 . 15449 1 94 . 1 1 11 11 LYS HG2 H 1 1.482 . . . . . . . 11 LYS HG1 . 15449 1 95 . 1 1 11 11 LYS HG3 H 1 1.253 . . . . . . . 11 LYS HG2 . 15449 1 96 . 1 1 11 11 LYS CA C 13 59.783 . . . . . . . 11 LYS CA . 15449 1 97 . 1 1 11 11 LYS CB C 13 32.482 . . . . . . . 11 LYS CB . 15449 1 98 . 1 1 11 11 LYS CE C 13 42.170 . . . . . . . 11 LYS CE . 15449 1 99 . 1 1 11 11 LYS CG C 13 25.868 . . . . . . . 11 LYS CG . 15449 1 100 . 1 1 11 11 LYS N N 15 118.486 . . . . . . . 11 LYS N . 15449 1 101 . 1 1 12 12 ALA H H 1 8.141 . . . . . . . 12 ALA HN . 15449 1 102 . 1 1 12 12 ALA HA H 1 4.102 . . . . . . . 12 ALA HA . 15449 1 103 . 1 1 12 12 ALA HB1 H 1 1.474 . . . . . . . 12 ALA HB1 . 15449 1 104 . 1 1 12 12 ALA HB2 H 1 1.474 . . . . . . . 12 ALA HB2 . 15449 1 105 . 1 1 12 12 ALA HB3 H 1 1.474 . . . . . . . 12 ALA HB3 . 15449 1 106 . 1 1 12 12 ALA CA C 13 55.298 . . . . . . . 12 ALA CA . 15449 1 107 . 1 1 12 12 ALA CB C 13 18.241 . . . . . . . 12 ALA CB . 15449 1 108 . 1 1 12 12 ALA N N 15 121.217 . . . . . . . 12 ALA N . 15449 1 109 . 1 1 13 13 VAL H H 1 8.251 . . . . . . . 13 VAL HN . 15449 1 110 . 1 1 13 13 VAL HA H 1 3.557 . . . . . . . 13 VAL HA . 15449 1 111 . 1 1 13 13 VAL HB H 1 2.000 . . . . . . . 13 VAL HB . 15449 1 112 . 1 1 13 13 VAL HG11 H 1 0.767 . . . . . . . 13 VAL HG11 . 15449 1 113 . 1 1 13 13 VAL HG12 H 1 0.767 . . . . . . . 13 VAL HG12 . 15449 1 114 . 1 1 13 13 VAL HG13 H 1 0.767 . . . . . . . 13 VAL HG13 . 15449 1 115 . 1 1 13 13 VAL HG21 H 1 0.986 . . . . . . . 13 VAL HG21 . 15449 1 116 . 1 1 13 13 VAL HG22 H 1 0.986 . . . . . . . 13 VAL HG22 . 15449 1 117 . 1 1 13 13 VAL HG23 H 1 0.986 . . . . . . . 13 VAL HG23 . 15449 1 118 . 1 1 13 13 VAL CA C 13 66.856 . . . . . . . 13 VAL CA . 15449 1 119 . 1 1 13 13 VAL CB C 13 31.299 . . . . . . . 13 VAL CB . 15449 1 120 . 1 1 13 13 VAL CG1 C 13 21.973 . . . . . . . 13 VAL CG1 . 15449 1 121 . 1 1 13 13 VAL CG2 C 13 23.861 . . . . . . . 13 VAL CG2 . 15449 1 122 . 1 1 13 13 VAL N N 15 118.490 . . . . . . . 13 VAL N . 15449 1 123 . 1 1 14 14 ALA H H 1 8.815 . . . . . . . 14 ALA HN . 15449 1 124 . 1 1 14 14 ALA HA H 1 3.845 . . . . . . . 14 ALA HA . 15449 1 125 . 1 1 14 14 ALA HB1 H 1 1.420 . . . . . . . 14 ALA HB1 . 15449 1 126 . 1 1 14 14 ALA HB2 H 1 1.420 . . . . . . . 14 ALA HB2 . 15449 1 127 . 1 1 14 14 ALA HB3 H 1 1.420 . . . . . . . 14 ALA HB3 . 15449 1 128 . 1 1 14 14 ALA CA C 13 56.073 . . . . . . . 14 ALA CA . 15449 1 129 . 1 1 14 14 ALA CB C 13 17.486 . . . . . . . 14 ALA CB . 15449 1 130 . 1 1 14 14 ALA N N 15 122.554 . . . . . . . 14 ALA N . 15449 1 131 . 1 1 15 15 HIS H H 1 8.024 . . . . . . . 15 HIS HN . 15449 1 132 . 1 1 15 15 HIS HA H 1 4.292 . . . . . . . 15 HIS HA . 15449 1 133 . 1 1 15 15 HIS HB2 H 1 3.261 . . . . . . . 15 HIS HB1 . 15449 1 134 . 1 1 15 15 HIS HB3 H 1 3.261 . . . . . . . 15 HIS HB2 . 15449 1 135 . 1 1 15 15 HIS CA C 13 59.500 . . . . . . . 15 HIS CA . 15449 1 136 . 1 1 15 15 HIS CB C 13 29.461 . . . . . . . 15 HIS CB . 15449 1 137 . 1 1 15 15 HIS N N 15 115.248 . . . . . . . 15 HIS N . 15449 1 138 . 1 1 16 16 ILE H H 1 7.594 . . . . . . . 16 ILE HN . 15449 1 139 . 1 1 16 16 ILE HA H 1 3.585 . . . . . . . 16 ILE HA . 15449 1 140 . 1 1 16 16 ILE HB H 1 2.002 . . . . . . . 16 ILE HB . 15449 1 141 . 1 1 16 16 ILE HD11 H 1 0.773 . . . . . . . 16 ILE HD11 . 15449 1 142 . 1 1 16 16 ILE HD12 H 1 0.773 . . . . . . . 16 ILE HD12 . 15449 1 143 . 1 1 16 16 ILE HD13 H 1 0.773 . . . . . . . 16 ILE HD13 . 15449 1 144 . 1 1 16 16 ILE HG12 H 1 1.784 . . . . . . . 16 ILE HG11 . 15449 1 145 . 1 1 16 16 ILE HG13 H 1 1.224 . . . . . . . 16 ILE HG12 . 15449 1 146 . 1 1 16 16 ILE HG21 H 1 0.904 . . . . . . . 16 ILE HG21 . 15449 1 147 . 1 1 16 16 ILE HG22 H 1 0.904 . . . . . . . 16 ILE HG22 . 15449 1 148 . 1 1 16 16 ILE HG23 H 1 0.904 . . . . . . . 16 ILE HG23 . 15449 1 149 . 1 1 16 16 ILE CA C 13 65.173 . . . . . . . 16 ILE CA . 15449 1 150 . 1 1 16 16 ILE CB C 13 38.299 . . . . . . . 16 ILE CB . 15449 1 151 . 1 1 16 16 ILE CD1 C 13 14.360 . . . . . . . 16 ILE CD1 . 15449 1 152 . 1 1 16 16 ILE CG1 C 13 29.785 . . . . . . . 16 ILE CG1 . 15449 1 153 . 1 1 16 16 ILE CG2 C 13 16.988 . . . . . . . 16 ILE CG2 . 15449 1 154 . 1 1 16 16 ILE N N 15 123.058 . . . . . . . 16 ILE N . 15449 1 155 . 1 1 17 17 LEU H H 1 7.699 . . . . . . . 17 LEU HN . 15449 1 156 . 1 1 17 17 LEU HA H 1 4.307 . . . . . . . 17 LEU HA . 15449 1 157 . 1 1 17 17 LEU HB2 H 1 1.818 . . . . . . . 17 LEU HB1 . 15449 1 158 . 1 1 17 17 LEU HB3 H 1 1.529 . . . . . . . 17 LEU HB2 . 15449 1 159 . 1 1 17 17 LEU HD11 H 1 0.770 . . . . . . . 17 LEU HD11 . 15449 1 160 . 1 1 17 17 LEU HD12 H 1 0.770 . . . . . . . 17 LEU HD12 . 15449 1 161 . 1 1 17 17 LEU HD13 H 1 0.770 . . . . . . . 17 LEU HD13 . 15449 1 162 . 1 1 17 17 LEU HD21 H 1 0.771 . . . . . . . 17 LEU HD21 . 15449 1 163 . 1 1 17 17 LEU HD22 H 1 0.771 . . . . . . . 17 LEU HD22 . 15449 1 164 . 1 1 17 17 LEU HD23 H 1 0.771 . . . . . . . 17 LEU HD23 . 15449 1 165 . 1 1 17 17 LEU HG H 1 1.656 . . . . . . . 17 LEU HG . 15449 1 166 . 1 1 17 17 LEU CA C 13 55.835 . . . . . . . 17 LEU CA . 15449 1 167 . 1 1 17 17 LEU CB C 13 43.764 . . . . . . . 17 LEU CB . 15449 1 168 . 1 1 17 17 LEU CD1 C 13 24.303 . . . . . . . 17 LEU CD1 . 15449 1 169 . 1 1 17 17 LEU CD2 C 13 24.303 . . . . . . . 17 LEU CD2 . 15449 1 170 . 1 1 17 17 LEU CG C 13 27.702 . . . . . . . 17 LEU CG . 15449 1 171 . 1 1 17 17 LEU N N 15 116.966 . . . . . . . 17 LEU N . 15449 1 172 . 1 1 18 18 GLY H H 1 7.738 . . . . . . . 18 GLY HN . 15449 1 173 . 1 1 18 18 GLY HA2 H 1 3.995 . . . . . . . 18 GLY HA1 . 15449 1 174 . 1 1 18 18 GLY HA3 H 1 3.664 . . . . . . . 18 GLY HA2 . 15449 1 175 . 1 1 18 18 GLY CA C 13 45.724 . . . . . . . 18 GLY CA . 15449 1 176 . 1 1 18 18 GLY N N 15 108.198 . . . . . . . 18 GLY N . 15449 1 177 . 1 1 19 19 ILE H H 1 8.038 . . . . . . . 19 ILE HN . 15449 1 178 . 1 1 19 19 ILE HA H 1 3.898 . . . . . . . 19 ILE HA . 15449 1 179 . 1 1 19 19 ILE HB H 1 1.576 . . . . . . . 19 ILE HB . 15449 1 180 . 1 1 19 19 ILE HD11 H 1 0.842 . . . . . . . 19 ILE HD11 . 15449 1 181 . 1 1 19 19 ILE HD12 H 1 0.842 . . . . . . . 19 ILE HD12 . 15449 1 182 . 1 1 19 19 ILE HD13 H 1 0.842 . . . . . . . 19 ILE HD13 . 15449 1 183 . 1 1 19 19 ILE HG12 H 1 1.460 . . . . . . . 19 ILE HG11 . 15449 1 184 . 1 1 19 19 ILE HG13 H 1 1.014 . . . . . . . 19 ILE HG12 . 15449 1 185 . 1 1 19 19 ILE HG21 H 1 0.701 . . . . . . . 19 ILE HG21 . 15449 1 186 . 1 1 19 19 ILE HG22 H 1 0.701 . . . . . . . 19 ILE HG22 . 15449 1 187 . 1 1 19 19 ILE HG23 H 1 0.701 . . . . . . . 19 ILE HG23 . 15449 1 188 . 1 1 19 19 ILE CA C 13 61.429 . . . . . . . 19 ILE CA . 15449 1 189 . 1 1 19 19 ILE CB C 13 38.929 . . . . . . . 19 ILE CB . 15449 1 190 . 1 1 19 19 ILE CD1 C 13 14.209 . . . . . . . 19 ILE CD1 . 15449 1 191 . 1 1 19 19 ILE CG1 C 13 27.176 . . . . . . . 19 ILE CG1 . 15449 1 192 . 1 1 19 19 ILE CG2 C 13 17.636 . . . . . . . 19 ILE CG2 . 15449 1 193 . 1 1 19 19 ILE N N 15 121.417 . . . . . . . 19 ILE N . 15449 1 194 . 1 1 20 20 ARG H H 1 8.546 . . . . . . . 20 ARG HN . 15449 1 195 . 1 1 20 20 ARG HA H 1 4.187 . . . . . . . 20 ARG HA . 15449 1 196 . 1 1 20 20 ARG HB2 H 1 1.852 . . . . . . . 20 ARG HB1 . 15449 1 197 . 1 1 20 20 ARG HB3 H 1 1.712 . . . . . . . 20 ARG HB2 . 15449 1 198 . 1 1 20 20 ARG HD2 H 1 3.136 . . . . . . . 20 ARG HD1 . 15449 1 199 . 1 1 20 20 ARG HD3 H 1 3.136 . . . . . . . 20 ARG HD2 . 15449 1 200 . 1 1 20 20 ARG HG2 H 1 1.622 . . . . . . . 20 ARG HG1 . 15449 1 201 . 1 1 20 20 ARG HG3 H 1 1.541 . . . . . . . 20 ARG HG2 . 15449 1 202 . 1 1 20 20 ARG CA C 13 57.081 . . . . . . . 20 ARG CA . 15449 1 203 . 1 1 20 20 ARG CB C 13 30.849 . . . . . . . 20 ARG CB . 15449 1 204 . 1 1 20 20 ARG CD C 13 43.092 . . . . . . . 20 ARG CD . 15449 1 205 . 1 1 20 20 ARG CG C 13 27.303 . . . . . . . 20 ARG CG . 15449 1 206 . 1 1 20 20 ARG N N 15 126.696 . . . . . . . 20 ARG N . 15449 1 207 . 1 1 21 21 ASP H H 1 7.525 . . . . . . . 21 ASP HN . 15449 1 208 . 1 1 21 21 ASP HA H 1 4.717 . . . . . . . 21 ASP HA . 15449 1 209 . 1 1 21 21 ASP HB2 H 1 2.680 . . . . . . . 21 ASP HB1 . 15449 1 210 . 1 1 21 21 ASP HB3 H 1 2.489 . . . . . . . 21 ASP HB2 . 15449 1 211 . 1 1 21 21 ASP CA C 13 53.135 . . . . . . . 21 ASP CA . 15449 1 212 . 1 1 21 21 ASP CB C 13 42.524 . . . . . . . 21 ASP CB . 15449 1 213 . 1 1 21 21 ASP N N 15 118.282 . . . . . . . 21 ASP N . 15449 1 214 . 1 1 22 22 LEU H H 1 8.531 . . . . . . . 22 LEU HN . 15449 1 215 . 1 1 22 22 LEU HA H 1 3.982 . . . . . . . 22 LEU HA . 15449 1 216 . 1 1 22 22 LEU HB2 H 1 1.551 . . . . . . . 22 LEU HB1 . 15449 1 217 . 1 1 22 22 LEU HB3 H 1 1.551 . . . . . . . 22 LEU HB2 . 15449 1 218 . 1 1 22 22 LEU HD11 H 1 0.655 . . . . . . . 22 LEU HD11 . 15449 1 219 . 1 1 22 22 LEU HD12 H 1 0.655 . . . . . . . 22 LEU HD12 . 15449 1 220 . 1 1 22 22 LEU HD13 H 1 0.655 . . . . . . . 22 LEU HD13 . 15449 1 221 . 1 1 22 22 LEU HD21 H 1 0.747 . . . . . . . 22 LEU HD21 . 15449 1 222 . 1 1 22 22 LEU HD22 H 1 0.747 . . . . . . . 22 LEU HD22 . 15449 1 223 . 1 1 22 22 LEU HD23 H 1 0.747 . . . . . . . 22 LEU HD23 . 15449 1 224 . 1 1 22 22 LEU HG H 1 1.531 . . . . . . . 22 LEU HG . 15449 1 225 . 1 1 22 22 LEU CA C 13 55.941 . . . . . . . 22 LEU CA . 15449 1 226 . 1 1 22 22 LEU CB C 13 42.382 . . . . . . . 22 LEU CB . 15449 1 227 . 1 1 22 22 LEU CD1 C 13 23.695 . . . . . . . 22 LEU CD1 . 15449 1 228 . 1 1 22 22 LEU CD2 C 13 25.207 . . . . . . . 22 LEU CD2 . 15449 1 229 . 1 1 22 22 LEU CG C 13 27.606 . . . . . . . 22 LEU CG . 15449 1 230 . 1 1 22 22 LEU N N 15 125.112 . . . . . . . 22 LEU N . 15449 1 231 . 1 1 23 23 ALA H H 1 8.198 . . . . . . . 23 ALA HN . 15449 1 232 . 1 1 23 23 ALA HA H 1 4.064 . . . . . . . 23 ALA HA . 15449 1 233 . 1 1 23 23 ALA HB1 H 1 1.335 . . . . . . . 23 ALA HB1 . 15449 1 234 . 1 1 23 23 ALA HB2 H 1 1.335 . . . . . . . 23 ALA HB2 . 15449 1 235 . 1 1 23 23 ALA HB3 H 1 1.335 . . . . . . . 23 ALA HB3 . 15449 1 236 . 1 1 23 23 ALA CA C 13 54.503 . . . . . . . 23 ALA CA . 15449 1 237 . 1 1 23 23 ALA CB C 13 18.233 . . . . . . . 23 ALA CB . 15449 1 238 . 1 1 23 23 ALA N N 15 123.095 . . . . . . . 23 ALA N . 15449 1 239 . 1 1 24 24 GLY H H 1 8.230 . . . . . . . 24 GLY HN . 15449 1 240 . 1 1 24 24 GLY HA2 H 1 3.909 . . . . . . . 24 GLY HA1 . 15449 1 241 . 1 1 24 24 GLY HA3 H 1 3.832 . . . . . . . 24 GLY HA2 . 15449 1 242 . 1 1 24 24 GLY CA C 13 45.288 . . . . . . . 24 GLY CA . 15449 1 243 . 1 1 24 24 GLY N N 15 107.822 . . . . . . . 24 GLY N . 15449 1 244 . 1 1 25 25 ILE H H 1 7.339 . . . . . . . 25 ILE HN . 15449 1 245 . 1 1 25 25 ILE HA H 1 4.074 . . . . . . . 25 ILE HA . 15449 1 246 . 1 1 25 25 ILE HB H 1 1.886 . . . . . . . 25 ILE HB . 15449 1 247 . 1 1 25 25 ILE HD11 H 1 0.766 . . . . . . . 25 ILE HD11 . 15449 1 248 . 1 1 25 25 ILE HD12 H 1 0.766 . . . . . . . 25 ILE HD12 . 15449 1 249 . 1 1 25 25 ILE HD13 H 1 0.766 . . . . . . . 25 ILE HD13 . 15449 1 250 . 1 1 25 25 ILE HG12 H 1 1.325 . . . . . . . 25 ILE HG11 . 15449 1 251 . 1 1 25 25 ILE HG13 H 1 1.285 . . . . . . . 25 ILE HG12 . 15449 1 252 . 1 1 25 25 ILE HG21 H 1 0.763 . . . . . . . 25 ILE HG21 . 15449 1 253 . 1 1 25 25 ILE HG22 H 1 0.763 . . . . . . . 25 ILE HG22 . 15449 1 254 . 1 1 25 25 ILE HG23 H 1 0.763 . . . . . . . 25 ILE HG23 . 15449 1 255 . 1 1 25 25 ILE CA C 13 59.080 . . . . . . . 25 ILE CA . 15449 1 256 . 1 1 25 25 ILE CB C 13 37.948 . . . . . . . 25 ILE CB . 15449 1 257 . 1 1 25 25 ILE CD1 C 13 11.769 . . . . . . . 25 ILE CD1 . 15449 1 258 . 1 1 25 25 ILE CG1 C 13 28.097 . . . . . . . 25 ILE CG1 . 15449 1 259 . 1 1 25 25 ILE CG2 C 13 18.374 . . . . . . . 25 ILE CG2 . 15449 1 260 . 1 1 25 25 ILE N N 15 120.777 . . . . . . . 25 ILE N . 15449 1 261 . 1 1 26 26 ASN H H 1 8.447 . . . . . . . 26 ASN HN . 15449 1 262 . 1 1 26 26 ASN HA H 1 4.607 . . . . . . . 26 ASN HA . 15449 1 263 . 1 1 26 26 ASN HB2 H 1 3.148 . . . . . . . 26 ASN HB1 . 15449 1 264 . 1 1 26 26 ASN HB3 H 1 2.728 . . . . . . . 26 ASN HB2 . 15449 1 265 . 1 1 26 26 ASN HD21 H 1 6.962 . . . . . . . 26 ASN HD21 . 15449 1 266 . 1 1 26 26 ASN HD22 H 1 7.524 . . . . . . . 26 ASN HD22 . 15449 1 267 . 1 1 26 26 ASN CA C 13 52.970 . . . . . . . 26 ASN CA . 15449 1 268 . 1 1 26 26 ASN CB C 13 38.109 . . . . . . . 26 ASN CB . 15449 1 269 . 1 1 26 26 ASN N N 15 124.511 . . . . . . . 26 ASN N . 15449 1 270 . 1 1 26 26 ASN ND2 N 15 111.972 . . . . . . . 26 ASN ND2 . 15449 1 271 . 1 1 27 27 LEU H H 1 8.887 . . . . . . . 27 LEU HN . 15449 1 272 . 1 1 27 27 LEU HA H 1 4.040 . . . . . . . 27 LEU HA . 15449 1 273 . 1 1 27 27 LEU HB2 H 1 1.671 . . . . . . . 27 LEU HB1 . 15449 1 274 . 1 1 27 27 LEU HB3 H 1 1.305 . . . . . . . 27 LEU HB2 . 15449 1 275 . 1 1 27 27 LEU HD11 H 1 0.708 . . . . . . . 27 LEU HD11 . 15449 1 276 . 1 1 27 27 LEU HD12 H 1 0.708 . . . . . . . 27 LEU HD12 . 15449 1 277 . 1 1 27 27 LEU HD13 H 1 0.708 . . . . . . . 27 LEU HD13 . 15449 1 278 . 1 1 27 27 LEU HD21 H 1 0.869 . . . . . . . 27 LEU HD21 . 15449 1 279 . 1 1 27 27 LEU HD22 H 1 0.869 . . . . . . . 27 LEU HD22 . 15449 1 280 . 1 1 27 27 LEU HD23 H 1 0.869 . . . . . . . 27 LEU HD23 . 15449 1 281 . 1 1 27 27 LEU HG H 1 1.781 . . . . . . . 27 LEU HG . 15449 1 282 . 1 1 27 27 LEU CA C 13 56.932 . . . . . . . 27 LEU CA . 15449 1 283 . 1 1 27 27 LEU CB C 13 41.842 . . . . . . . 27 LEU CB . 15449 1 284 . 1 1 27 27 LEU CD1 C 13 22.831 . . . . . . . 27 LEU CD1 . 15449 1 285 . 1 1 27 27 LEU CD2 C 13 25.533 . . . . . . . 27 LEU CD2 . 15449 1 286 . 1 1 27 27 LEU CG C 13 27.023 . . . . . . . 27 LEU CG . 15449 1 287 . 1 1 27 27 LEU N N 15 127.749 . . . . . . . 27 LEU N . 15449 1 288 . 1 1 28 28 ASP H H 1 8.340 . . . . . . . 28 ASP HN . 15449 1 289 . 1 1 28 28 ASP HA H 1 4.953 . . . . . . . 28 ASP HA . 15449 1 290 . 1 1 28 28 ASP HB2 H 1 2.955 . . . . . . . 28 ASP HB1 . 15449 1 291 . 1 1 28 28 ASP HB3 H 1 2.503 . . . . . . . 28 ASP HB2 . 15449 1 292 . 1 1 28 28 ASP CA C 13 54.548 . . . . . . . 28 ASP CA . 15449 1 293 . 1 1 28 28 ASP CB C 13 41.602 . . . . . . . 28 ASP CB . 15449 1 294 . 1 1 28 28 ASP N N 15 113.806 . . . . . . . 28 ASP N . 15449 1 295 . 1 1 29 29 SER H H 1 7.360 . . . . . . . 29 SER HN . 15449 1 296 . 1 1 29 29 SER HA H 1 4.526 . . . . . . . 29 SER HA . 15449 1 297 . 1 1 29 29 SER HB2 H 1 3.864 . . . . . . . 29 SER HB1 . 15449 1 298 . 1 1 29 29 SER HB3 H 1 3.761 . . . . . . . 29 SER HB2 . 15449 1 299 . 1 1 29 29 SER CA C 13 59.215 . . . . . . . 29 SER CA . 15449 1 300 . 1 1 29 29 SER CB C 13 64.184 . . . . . . . 29 SER CB . 15449 1 301 . 1 1 29 29 SER N N 15 117.328 . . . . . . . 29 SER N . 15449 1 302 . 1 1 30 30 SER H H 1 9.187 . . . . . . . 30 SER HN . 15449 1 303 . 1 1 30 30 SER HA H 1 4.662 . . . . . . . 30 SER HA . 15449 1 304 . 1 1 30 30 SER HB2 H 1 4.482 . . . . . . . 30 SER HB1 . 15449 1 305 . 1 1 30 30 SER HB3 H 1 3.983 . . . . . . . 30 SER HB2 . 15449 1 306 . 1 1 30 30 SER CA C 13 57.319 . . . . . . . 30 SER CA . 15449 1 307 . 1 1 30 30 SER CB C 13 64.716 . . . . . . . 30 SER CB . 15449 1 308 . 1 1 30 30 SER N N 15 120.930 . . . . . . . 30 SER N . 15449 1 309 . 1 1 31 31 LEU H H 1 8.564 . . . . . . . 31 LEU HN . 15449 1 310 . 1 1 31 31 LEU HA H 1 3.881 . . . . . . . 31 LEU HA . 15449 1 311 . 1 1 31 31 LEU HB2 H 1 1.884 . . . . . . . 31 LEU HB1 . 15449 1 312 . 1 1 31 31 LEU HB3 H 1 1.289 . . . . . . . 31 LEU HB2 . 15449 1 313 . 1 1 31 31 LEU HD11 H 1 0.585 . . . . . . . 31 LEU HD11 . 15449 1 314 . 1 1 31 31 LEU HD12 H 1 0.585 . . . . . . . 31 LEU HD12 . 15449 1 315 . 1 1 31 31 LEU HD13 H 1 0.585 . . . . . . . 31 LEU HD13 . 15449 1 316 . 1 1 31 31 LEU HD21 H 1 0.854 . . . . . . . 31 LEU HD21 . 15449 1 317 . 1 1 31 31 LEU HD22 H 1 0.854 . . . . . . . 31 LEU HD22 . 15449 1 318 . 1 1 31 31 LEU HD23 H 1 0.854 . . . . . . . 31 LEU HD23 . 15449 1 319 . 1 1 31 31 LEU HG H 1 1.904 . . . . . . . 31 LEU HG . 15449 1 320 . 1 1 31 31 LEU CA C 13 58.061 . . . . . . . 31 LEU CA . 15449 1 321 . 1 1 31 31 LEU CB C 13 40.203 . . . . . . . 31 LEU CB . 15449 1 322 . 1 1 31 31 LEU CD1 C 13 21.730 . . . . . . . 31 LEU CD1 . 15449 1 323 . 1 1 31 31 LEU CD2 C 13 25.902 . . . . . . . 31 LEU CD2 . 15449 1 324 . 1 1 31 31 LEU CG C 13 26.646 . . . . . . . 31 LEU CG . 15449 1 325 . 1 1 31 31 LEU N N 15 118.437 . . . . . . . 31 LEU N . 15449 1 326 . 1 1 32 32 ALA H H 1 8.468 . . . . . . . 32 ALA HN . 15449 1 327 . 1 1 32 32 ALA HA H 1 4.081 . . . . . . . 32 ALA HA . 15449 1 328 . 1 1 32 32 ALA HB1 H 1 1.381 . . . . . . . 32 ALA HB1 . 15449 1 329 . 1 1 32 32 ALA HB2 H 1 1.381 . . . . . . . 32 ALA HB2 . 15449 1 330 . 1 1 32 32 ALA HB3 H 1 1.381 . . . . . . . 32 ALA HB3 . 15449 1 331 . 1 1 32 32 ALA CA C 13 55.817 . . . . . . . 32 ALA CA . 15449 1 332 . 1 1 32 32 ALA CB C 13 18.347 . . . . . . . 32 ALA CB . 15449 1 333 . 1 1 32 32 ALA N N 15 120.280 . . . . . . . 32 ALA N . 15449 1 334 . 1 1 33 33 ASP H H 1 8.062 . . . . . . . 33 ASP HN . 15449 1 335 . 1 1 33 33 ASP HA H 1 4.374 . . . . . . . 33 ASP HA . 15449 1 336 . 1 1 33 33 ASP HB2 H 1 3.031 . . . . . . . 33 ASP HB1 . 15449 1 337 . 1 1 33 33 ASP HB3 H 1 2.677 . . . . . . . 33 ASP HB2 . 15449 1 338 . 1 1 33 33 ASP CA C 13 57.144 . . . . . . . 33 ASP CA . 15449 1 339 . 1 1 33 33 ASP CB C 13 39.898 . . . . . . . 33 ASP CB . 15449 1 340 . 1 1 33 33 ASP N N 15 121.663 . . . . . . . 33 ASP N . 15449 1 341 . 1 1 34 34 LEU H H 1 7.556 . . . . . . . 34 LEU HN . 15449 1 342 . 1 1 34 34 LEU HA H 1 4.308 . . . . . . . 34 LEU HA . 15449 1 343 . 1 1 34 34 LEU HB2 H 1 1.876 . . . . . . . 34 LEU HB1 . 15449 1 344 . 1 1 34 34 LEU HB3 H 1 1.655 . . . . . . . 34 LEU HB2 . 15449 1 345 . 1 1 34 34 LEU HD11 H 1 0.720 . . . . . . . 34 LEU HD11 . 15449 1 346 . 1 1 34 34 LEU HD12 H 1 0.720 . . . . . . . 34 LEU HD12 . 15449 1 347 . 1 1 34 34 LEU HD13 H 1 0.720 . . . . . . . 34 LEU HD13 . 15449 1 348 . 1 1 34 34 LEU HD21 H 1 0.860 . . . . . . . 34 LEU HD21 . 15449 1 349 . 1 1 34 34 LEU HD22 H 1 0.860 . . . . . . . 34 LEU HD22 . 15449 1 350 . 1 1 34 34 LEU HD23 H 1 0.860 . . . . . . . 34 LEU HD23 . 15449 1 351 . 1 1 34 34 LEU HG H 1 1.746 . . . . . . . 34 LEU HG . 15449 1 352 . 1 1 34 34 LEU CA C 13 54.960 . . . . . . . 34 LEU CA . 15449 1 353 . 1 1 34 34 LEU CB C 13 42.577 . . . . . . . 34 LEU CB . 15449 1 354 . 1 1 34 34 LEU CD1 C 13 26.009 . . . . . . . 34 LEU CD1 . 15449 1 355 . 1 1 34 34 LEU CD2 C 13 22.306 . . . . . . . 34 LEU CD2 . 15449 1 356 . 1 1 34 34 LEU CG C 13 26.200 . . . . . . . 34 LEU CG . 15449 1 357 . 1 1 34 34 LEU N N 15 118.533 . . . . . . . 34 LEU N . 15449 1 358 . 1 1 35 35 GLY H H 1 7.591 . . . . . . . 35 GLY HN . 15449 1 359 . 1 1 35 35 GLY HA2 H 1 4.312 . . . . . . . 35 GLY HA1 . 15449 1 360 . 1 1 35 35 GLY HA3 H 1 3.608 . . . . . . . 35 GLY HA2 . 15449 1 361 . 1 1 35 35 GLY CA C 13 44.911 . . . . . . . 35 GLY CA . 15449 1 362 . 1 1 35 35 GLY N N 15 105.165 . . . . . . . 35 GLY N . 15449 1 363 . 1 1 36 36 LEU H H 1 7.693 . . . . . . . 36 LEU HN . 15449 1 364 . 1 1 36 36 LEU HA H 1 4.151 . . . . . . . 36 LEU HA . 15449 1 365 . 1 1 36 36 LEU HB2 H 1 1.445 . . . . . . . 36 LEU HB1 . 15449 1 366 . 1 1 36 36 LEU HB3 H 1 1.179 . . . . . . . 36 LEU HB2 . 15449 1 367 . 1 1 36 36 LEU HD11 H 1 0.703 . . . . . . . 36 LEU HD11 . 15449 1 368 . 1 1 36 36 LEU HD12 H 1 0.703 . . . . . . . 36 LEU HD12 . 15449 1 369 . 1 1 36 36 LEU HD13 H 1 0.703 . . . . . . . 36 LEU HD13 . 15449 1 370 . 1 1 36 36 LEU HD21 H 1 0.733 . . . . . . . 36 LEU HD21 . 15449 1 371 . 1 1 36 36 LEU HD22 H 1 0.733 . . . . . . . 36 LEU HD22 . 15449 1 372 . 1 1 36 36 LEU HD23 H 1 0.733 . . . . . . . 36 LEU HD23 . 15449 1 373 . 1 1 36 36 LEU HG H 1 1.736 . . . . . . . 36 LEU HG . 15449 1 374 . 1 1 36 36 LEU CA C 13 56.861 . . . . . . . 36 LEU CA . 15449 1 375 . 1 1 36 36 LEU CB C 13 43.130 . . . . . . . 36 LEU CB . 15449 1 376 . 1 1 36 36 LEU CD1 C 13 26.648 . . . . . . . 36 LEU CD1 . 15449 1 377 . 1 1 36 36 LEU CD2 C 13 27.708 . . . . . . . 36 LEU CD2 . 15449 1 378 . 1 1 36 36 LEU CG C 13 25.873 . . . . . . . 36 LEU CG . 15449 1 379 . 1 1 36 36 LEU N N 15 121.266 . . . . . . . 36 LEU N . 15449 1 380 . 1 1 37 37 ASP H H 1 7.862 . . . . . . . 37 ASP HN . 15449 1 381 . 1 1 37 37 ASP HA H 1 4.900 . . . . . . . 37 ASP HA . 15449 1 382 . 1 1 37 37 ASP HB2 H 1 3.297 . . . . . . . 37 ASP HB1 . 15449 1 383 . 1 1 37 37 ASP HB3 H 1 2.715 . . . . . . . 37 ASP HB2 . 15449 1 384 . 1 1 37 37 ASP CA C 13 52.600 . . . . . . . 37 ASP CA . 15449 1 385 . 1 1 37 37 ASP CB C 13 41.468 . . . . . . . 37 ASP CB . 15449 1 386 . 1 1 37 37 ASP N N 15 131.840 . . . . . . . 37 ASP N . 15449 1 387 . 1 1 38 38 SER H H 1 8.367 . . . . . . . 38 SER HN . 15449 1 388 . 1 1 38 38 SER CA C 13 62.731 . . . . . . . 38 SER CA . 15449 1 389 . 1 1 38 38 SER N N 15 113.250 . . . . . . . 38 SER N . 15449 1 390 . 1 1 39 39 LEU H H 1 7.794 . . . . . . . 39 LEU HN . 15449 1 391 . 1 1 39 39 LEU HA H 1 4.176 . . . . . . . 39 LEU HA . 15449 1 392 . 1 1 39 39 LEU HB2 H 1 1.866 . . . . . . . 39 LEU HB1 . 15449 1 393 . 1 1 39 39 LEU HB3 H 1 1.650 . . . . . . . 39 LEU HB2 . 15449 1 394 . 1 1 39 39 LEU HD11 H 1 0.864 . . . . . . . 39 LEU HD11 . 15449 1 395 . 1 1 39 39 LEU HD12 H 1 0.864 . . . . . . . 39 LEU HD12 . 15449 1 396 . 1 1 39 39 LEU HD13 H 1 0.864 . . . . . . . 39 LEU HD13 . 15449 1 397 . 1 1 39 39 LEU HD21 H 1 0.922 . . . . . . . 39 LEU HD21 . 15449 1 398 . 1 1 39 39 LEU HD22 H 1 0.922 . . . . . . . 39 LEU HD22 . 15449 1 399 . 1 1 39 39 LEU HD23 H 1 0.922 . . . . . . . 39 LEU HD23 . 15449 1 400 . 1 1 39 39 LEU HG H 1 1.652 . . . . . . . 39 LEU HG . 15449 1 401 . 1 1 39 39 LEU CA C 13 58.012 . . . . . . . 39 LEU CA . 15449 1 402 . 1 1 39 39 LEU CB C 13 41.399 . . . . . . . 39 LEU CB . 15449 1 403 . 1 1 39 39 LEU CD1 C 13 23.678 . . . . . . . 39 LEU CD1 . 15449 1 404 . 1 1 39 39 LEU CD2 C 13 24.758 . . . . . . . 39 LEU CD2 . 15449 1 405 . 1 1 39 39 LEU CG C 13 27.347 . . . . . . . 39 LEU CG . 15449 1 406 . 1 1 39 39 LEU N N 15 124.295 . . . . . . . 39 LEU N . 15449 1 407 . 1 1 40 40 MET H H 1 9.308 . . . . . . . 40 MET HN . 15449 1 408 . 1 1 40 40 MET HA H 1 4.067 . . . . . . . 40 MET HA . 15449 1 409 . 1 1 40 40 MET HB2 H 1 1.882 . . . . . . . 40 MET HB1 . 15449 1 410 . 1 1 40 40 MET HB3 H 1 1.799 . . . . . . . 40 MET HB2 . 15449 1 411 . 1 1 40 40 MET HG2 H 1 2.920 . . . . . . . 40 MET HG1 . 15449 1 412 . 1 1 40 40 MET HG3 H 1 2.514 . . . . . . . 40 MET HG2 . 15449 1 413 . 1 1 40 40 MET CA C 13 58.878 . . . . . . . 40 MET CA . 15449 1 414 . 1 1 40 40 MET CB C 13 34.111 . . . . . . . 40 MET CB . 15449 1 415 . 1 1 40 40 MET CG C 13 32.579 . . . . . . . 40 MET CG . 15449 1 416 . 1 1 40 40 MET N N 15 121.194 . . . . . . . 40 MET N . 15449 1 417 . 1 1 41 41 GLY H H 1 8.347 . . . . . . . 41 GLY HN . 15449 1 418 . 1 1 41 41 GLY HA2 H 1 3.785 . . . . . . . 41 GLY HA1 . 15449 1 419 . 1 1 41 41 GLY HA3 H 1 3.492 . . . . . . . 41 GLY HA2 . 15449 1 420 . 1 1 41 41 GLY CA C 13 47.948 . . . . . . . 41 GLY CA . 15449 1 421 . 1 1 41 41 GLY N N 15 104.611 . . . . . . . 41 GLY N . 15449 1 422 . 1 1 42 42 VAL H H 1 7.376 . . . . . . . 42 VAL HN . 15449 1 423 . 1 1 42 42 VAL HA H 1 3.564 . . . . . . . 42 VAL HA . 15449 1 424 . 1 1 42 42 VAL HB H 1 2.256 . . . . . . . 42 VAL HB . 15449 1 425 . 1 1 42 42 VAL HG11 H 1 0.941 . . . . . . . 42 VAL HG11 . 15449 1 426 . 1 1 42 42 VAL HG12 H 1 0.941 . . . . . . . 42 VAL HG12 . 15449 1 427 . 1 1 42 42 VAL HG13 H 1 0.941 . . . . . . . 42 VAL HG13 . 15449 1 428 . 1 1 42 42 VAL HG21 H 1 1.138 . . . . . . . 42 VAL HG21 . 15449 1 429 . 1 1 42 42 VAL HG22 H 1 1.138 . . . . . . . 42 VAL HG22 . 15449 1 430 . 1 1 42 42 VAL HG23 H 1 1.138 . . . . . . . 42 VAL HG23 . 15449 1 431 . 1 1 42 42 VAL CA C 13 66.748 . . . . . . . 42 VAL CA . 15449 1 432 . 1 1 42 42 VAL CB C 13 31.984 . . . . . . . 42 VAL CB . 15449 1 433 . 1 1 42 42 VAL CG1 C 13 21.092 . . . . . . . 42 VAL CG1 . 15449 1 434 . 1 1 42 42 VAL CG2 C 13 22.703 . . . . . . . 42 VAL CG2 . 15449 1 435 . 1 1 42 42 VAL N N 15 121.359 . . . . . . . 42 VAL N . 15449 1 436 . 1 1 43 43 GLU H H 1 7.351 . . . . . . . 43 GLU HN . 15449 1 437 . 1 1 43 43 GLU HA H 1 4.090 . . . . . . . 43 GLU HA . 15449 1 438 . 1 1 43 43 GLU HB2 H 1 2.203 . . . . . . . 43 GLU HB1 . 15449 1 439 . 1 1 43 43 GLU HB3 H 1 2.118 . . . . . . . 43 GLU HB2 . 15449 1 440 . 1 1 43 43 GLU HG2 H 1 2.394 . . . . . . . 43 GLU HG1 . 15449 1 441 . 1 1 43 43 GLU HG3 H 1 2.258 . . . . . . . 43 GLU HG2 . 15449 1 442 . 1 1 43 43 GLU CA C 13 59.607 . . . . . . . 43 GLU CA . 15449 1 443 . 1 1 43 43 GLU CB C 13 29.587 . . . . . . . 43 GLU CB . 15449 1 444 . 1 1 43 43 GLU CG C 13 36.071 . . . . . . . 43 GLU CG . 15449 1 445 . 1 1 43 43 GLU N N 15 119.853 . . . . . . . 43 GLU N . 15449 1 446 . 1 1 44 44 VAL H H 1 8.408 . . . . . . . 44 VAL HN . 15449 1 447 . 1 1 44 44 VAL HA H 1 3.456 . . . . . . . 44 VAL HA . 15449 1 448 . 1 1 44 44 VAL HB H 1 1.981 . . . . . . . 44 VAL HB . 15449 1 449 . 1 1 44 44 VAL HG11 H 1 0.723 . . . . . . . 44 VAL HG11 . 15449 1 450 . 1 1 44 44 VAL HG12 H 1 0.723 . . . . . . . 44 VAL HG12 . 15449 1 451 . 1 1 44 44 VAL HG13 H 1 0.723 . . . . . . . 44 VAL HG13 . 15449 1 452 . 1 1 44 44 VAL HG21 H 1 0.993 . . . . . . . 44 VAL HG21 . 15449 1 453 . 1 1 44 44 VAL HG22 H 1 0.993 . . . . . . . 44 VAL HG22 . 15449 1 454 . 1 1 44 44 VAL HG23 H 1 0.993 . . . . . . . 44 VAL HG23 . 15449 1 455 . 1 1 44 44 VAL CA C 13 67.073 . . . . . . . 44 VAL CA . 15449 1 456 . 1 1 44 44 VAL CB C 13 31.686 . . . . . . . 44 VAL CB . 15449 1 457 . 1 1 44 44 VAL CG1 C 13 21.743 . . . . . . . 44 VAL CG1 . 15449 1 458 . 1 1 44 44 VAL CG2 C 13 24.378 . . . . . . . 44 VAL CG2 . 15449 1 459 . 1 1 44 44 VAL N N 15 118.516 . . . . . . . 44 VAL N . 15449 1 460 . 1 1 45 45 ARG H H 1 8.400 . . . . . . . 45 ARG HN . 15449 1 461 . 1 1 45 45 ARG HA H 1 3.827 . . . . . . . 45 ARG HA . 15449 1 462 . 1 1 45 45 ARG HB2 H 1 2.100 . . . . . . . 45 ARG HB1 . 15449 1 463 . 1 1 45 45 ARG HB3 H 1 1.849 . . . . . . . 45 ARG HB2 . 15449 1 464 . 1 1 45 45 ARG HD2 H 1 3.147 . . . . . . . 45 ARG HD1 . 15449 1 465 . 1 1 45 45 ARG HD3 H 1 3.147 . . . . . . . 45 ARG HD2 . 15449 1 466 . 1 1 45 45 ARG HE H 1 7.366 . . . . . . . 45 ARG HE . 15449 1 467 . 1 1 45 45 ARG HG2 H 1 1.954 . . . . . . . 45 ARG HG1 . 15449 1 468 . 1 1 45 45 ARG HG3 H 1 1.666 . . . . . . . 45 ARG HG2 . 15449 1 469 . 1 1 45 45 ARG CA C 13 60.509 . . . . . . . 45 ARG CA . 15449 1 470 . 1 1 45 45 ARG CB C 13 30.318 . . . . . . . 45 ARG CB . 15449 1 471 . 1 1 45 45 ARG CD C 13 44.222 . . . . . . . 45 ARG CD . 15449 1 472 . 1 1 45 45 ARG CG C 13 27.711 . . . . . . . 45 ARG CG . 15449 1 473 . 1 1 45 45 ARG N N 15 119.390 . . . . . . . 45 ARG N . 15449 1 474 . 1 1 46 46 GLN H H 1 8.099 . . . . . . . 46 GLN HN . 15449 1 475 . 1 1 46 46 GLN HA H 1 4.243 . . . . . . . 46 GLN HA . 15449 1 476 . 1 1 46 46 GLN HB2 H 1 2.297 . . . . . . . 46 GLN HB1 . 15449 1 477 . 1 1 46 46 GLN HB3 H 1 2.123 . . . . . . . 46 GLN HB2 . 15449 1 478 . 1 1 46 46 GLN HE21 H 1 6.845 . . . . . . . 46 GLN HE21 . 15449 1 479 . 1 1 46 46 GLN HE22 H 1 7.338 . . . . . . . 46 GLN HE22 . 15449 1 480 . 1 1 46 46 GLN HG2 H 1 2.577 . . . . . . . 46 GLN HG1 . 15449 1 481 . 1 1 46 46 GLN HG3 H 1 2.390 . . . . . . . 46 GLN HG2 . 15449 1 482 . 1 1 46 46 GLN CA C 13 59.357 . . . . . . . 46 GLN CA . 15449 1 483 . 1 1 46 46 GLN CB C 13 28.830 . . . . . . . 46 GLN CB . 15449 1 484 . 1 1 46 46 GLN CG C 13 34.721 . . . . . . . 46 GLN CG . 15449 1 485 . 1 1 46 46 GLN N N 15 117.975 . . . . . . . 46 GLN N . 15449 1 486 . 1 1 47 47 ILE H H 1 7.938 . . . . . . . 47 ILE HN . 15449 1 487 . 1 1 47 47 ILE HA H 1 3.790 . . . . . . . 47 ILE HA . 15449 1 488 . 1 1 47 47 ILE HB H 1 1.890 . . . . . . . 47 ILE HB . 15449 1 489 . 1 1 47 47 ILE HD11 H 1 0.788 . . . . . . . 47 ILE HD11 . 15449 1 490 . 1 1 47 47 ILE HD12 H 1 0.788 . . . . . . . 47 ILE HD12 . 15449 1 491 . 1 1 47 47 ILE HD13 H 1 0.788 . . . . . . . 47 ILE HD13 . 15449 1 492 . 1 1 47 47 ILE HG12 H 1 1.812 . . . . . . . 47 ILE HG11 . 15449 1 493 . 1 1 47 47 ILE HG13 H 1 1.109 . . . . . . . 47 ILE HG12 . 15449 1 494 . 1 1 47 47 ILE HG21 H 1 0.873 . . . . . . . 47 ILE HG21 . 15449 1 495 . 1 1 47 47 ILE HG22 H 1 0.873 . . . . . . . 47 ILE HG22 . 15449 1 496 . 1 1 47 47 ILE HG23 H 1 0.873 . . . . . . . 47 ILE HG23 . 15449 1 497 . 1 1 47 47 ILE CA C 13 65.778 . . . . . . . 47 ILE CA . 15449 1 498 . 1 1 47 47 ILE CB C 13 38.423 . . . . . . . 47 ILE CB . 15449 1 499 . 1 1 47 47 ILE CD1 C 13 14.342 . . . . . . . 47 ILE CD1 . 15449 1 500 . 1 1 47 47 ILE CG1 C 13 29.198 . . . . . . . 47 ILE CG1 . 15449 1 501 . 1 1 47 47 ILE CG2 C 13 17.341 . . . . . . . 47 ILE CG2 . 15449 1 502 . 1 1 47 47 ILE N N 15 120.727 . . . . . . . 47 ILE N . 15449 1 503 . 1 1 48 48 LEU H H 1 8.128 . . . . . . . 48 LEU HN . 15449 1 504 . 1 1 48 48 LEU HA H 1 3.967 . . . . . . . 48 LEU HA . 15449 1 505 . 1 1 48 48 LEU HB2 H 1 2.035 . . . . . . . 48 LEU HB1 . 15449 1 506 . 1 1 48 48 LEU HB3 H 1 1.590 . . . . . . . 48 LEU HB2 . 15449 1 507 . 1 1 48 48 LEU HD11 H 1 0.690 . . . . . . . 48 LEU HD11 . 15449 1 508 . 1 1 48 48 LEU HD12 H 1 0.690 . . . . . . . 48 LEU HD12 . 15449 1 509 . 1 1 48 48 LEU HD13 H 1 0.690 . . . . . . . 48 LEU HD13 . 15449 1 510 . 1 1 48 48 LEU HG H 1 1.810 . . . . . . . 48 LEU HG . 15449 1 511 . 1 1 48 48 LEU CA C 13 58.686 . . . . . . . 48 LEU CA . 15449 1 512 . 1 1 48 48 LEU CB C 13 40.950 . . . . . . . 48 LEU CB . 15449 1 513 . 1 1 48 48 LEU CD1 C 13 23.577 . . . . . . . 48 LEU CD1 . 15449 1 514 . 1 1 48 48 LEU CD2 C 13 26.630 . . . . . . . 48 LEU CD2 . 15449 1 515 . 1 1 48 48 LEU CG C 13 27.028 . . . . . . . 48 LEU CG . 15449 1 516 . 1 1 48 48 LEU N N 15 119.815 . . . . . . . 48 LEU N . 15449 1 517 . 1 1 49 49 GLU H H 1 7.919 . . . . . . . 49 GLU HN . 15449 1 518 . 1 1 49 49 GLU HA H 1 3.837 . . . . . . . 49 GLU HA . 15449 1 519 . 1 1 49 49 GLU HB2 H 1 2.088 . . . . . . . 49 GLU HB1 . 15449 1 520 . 1 1 49 49 GLU HB3 H 1 2.088 . . . . . . . 49 GLU HB2 . 15449 1 521 . 1 1 49 49 GLU HG2 H 1 2.176 . . . . . . . 49 GLU HG1 . 15449 1 522 . 1 1 49 49 GLU HG3 H 1 2.070 . . . . . . . 49 GLU HG2 . 15449 1 523 . 1 1 49 49 GLU CA C 13 60.109 . . . . . . . 49 GLU CA . 15449 1 524 . 1 1 49 49 GLU CB C 13 30.023 . . . . . . . 49 GLU CB . 15449 1 525 . 1 1 49 49 GLU CG C 13 36.264 . . . . . . . 49 GLU CG . 15449 1 526 . 1 1 49 49 GLU N N 15 120.181 . . . . . . . 49 GLU N . 15449 1 527 . 1 1 50 50 ARG H H 1 8.476 . . . . . . . 50 ARG HN . 15449 1 528 . 1 1 50 50 ARG HA H 1 4.096 . . . . . . . 50 ARG HA . 15449 1 529 . 1 1 50 50 ARG HB2 H 1 1.963 . . . . . . . 50 ARG HB1 . 15449 1 530 . 1 1 50 50 ARG HB3 H 1 1.878 . . . . . . . 50 ARG HB2 . 15449 1 531 . 1 1 50 50 ARG HD2 H 1 3.175 . . . . . . . 50 ARG HD1 . 15449 1 532 . 1 1 50 50 ARG HD3 H 1 3.175 . . . . . . . 50 ARG HD2 . 15449 1 533 . 1 1 50 50 ARG HE H 1 7.356 . . . . . . . 50 ARG HE . 15449 1 534 . 1 1 50 50 ARG HG2 H 1 1.781 . . . . . . . 50 ARG HG1 . 15449 1 535 . 1 1 50 50 ARG HG3 H 1 1.608 . . . . . . . 50 ARG HG2 . 15449 1 536 . 1 1 50 50 ARG CA C 13 59.054 . . . . . . . 50 ARG CA . 15449 1 537 . 1 1 50 50 ARG CB C 13 31.323 . . . . . . . 50 ARG CB . 15449 1 538 . 1 1 50 50 ARG CD C 13 43.616 . . . . . . . 50 ARG CD . 15449 1 539 . 1 1 50 50 ARG CG C 13 27.729 . . . . . . . 50 ARG CG . 15449 1 540 . 1 1 50 50 ARG N N 15 117.871 . . . . . . . 50 ARG N . 15449 1 541 . 1 1 51 51 GLU H H 1 8.539 . . . . . . . 51 GLU HN . 15449 1 542 . 1 1 51 51 GLU HA H 1 4.351 . . . . . . . 51 GLU HA . 15449 1 543 . 1 1 51 51 GLU HB2 H 1 1.929 . . . . . . . 51 GLU HB1 . 15449 1 544 . 1 1 51 51 GLU HB3 H 1 1.813 . . . . . . . 51 GLU HB2 . 15449 1 545 . 1 1 51 51 GLU HG2 H 1 2.230 . . . . . . . 51 GLU HG1 . 15449 1 546 . 1 1 51 51 GLU HG3 H 1 2.230 . . . . . . . 51 GLU HG2 . 15449 1 547 . 1 1 51 51 GLU CA C 13 56.789 . . . . . . . 51 GLU CA . 15449 1 548 . 1 1 51 51 GLU CB C 13 30.452 . . . . . . . 51 GLU CB . 15449 1 549 . 1 1 51 51 GLU CG C 13 36.734 . . . . . . . 51 GLU CG . 15449 1 550 . 1 1 51 51 GLU N N 15 113.618 . . . . . . . 51 GLU N . 15449 1 551 . 1 1 52 52 HIS H H 1 7.134 . . . . . . . 52 HIS HN . 15449 1 552 . 1 1 52 52 HIS HA H 1 4.715 . . . . . . . 52 HIS HA . 15449 1 553 . 1 1 52 52 HIS HB2 H 1 3.415 . . . . . . . 52 HIS HB1 . 15449 1 554 . 1 1 52 52 HIS HB3 H 1 3.043 . . . . . . . 52 HIS HB2 . 15449 1 555 . 1 1 52 52 HIS CA C 13 55.625 . . . . . . . 52 HIS CA . 15449 1 556 . 1 1 52 52 HIS CB C 13 31.816 . . . . . . . 52 HIS CB . 15449 1 557 . 1 1 52 52 HIS N N 15 114.219 . . . . . . . 52 HIS N . 15449 1 558 . 1 1 53 53 ASP H H 1 7.627 . . . . . . . 53 ASP HN . 15449 1 559 . 1 1 53 53 ASP HA H 1 4.500 . . . . . . . 53 ASP HA . 15449 1 560 . 1 1 53 53 ASP HB2 H 1 3.004 . . . . . . . 53 ASP HB1 . 15449 1 561 . 1 1 53 53 ASP HB3 H 1 2.529 . . . . . . . 53 ASP HB2 . 15449 1 562 . 1 1 53 53 ASP CA C 13 55.561 . . . . . . . 53 ASP CA . 15449 1 563 . 1 1 53 53 ASP CB C 13 39.954 . . . . . . . 53 ASP CB . 15449 1 564 . 1 1 53 53 ASP N N 15 118.143 . . . . . . . 53 ASP N . 15449 1 565 . 1 1 54 54 LEU H H 1 7.625 . . . . . . . 54 LEU HN . 15449 1 566 . 1 1 54 54 LEU HA H 1 4.588 . . . . . . . 54 LEU HA . 15449 1 567 . 1 1 54 54 LEU HB2 H 1 1.357 . . . . . . . 54 LEU HB1 . 15449 1 568 . 1 1 54 54 LEU HB3 H 1 1.272 . . . . . . . 54 LEU HB2 . 15449 1 569 . 1 1 54 54 LEU HD11 H 1 0.842 . . . . . . . 54 LEU HD11 . 15449 1 570 . 1 1 54 54 LEU HD12 H 1 0.842 . . . . . . . 54 LEU HD12 . 15449 1 571 . 1 1 54 54 LEU HD13 H 1 0.842 . . . . . . . 54 LEU HD13 . 15449 1 572 . 1 1 54 54 LEU HD21 H 1 0.846 . . . . . . . 54 LEU HD21 . 15449 1 573 . 1 1 54 54 LEU HD22 H 1 0.846 . . . . . . . 54 LEU HD22 . 15449 1 574 . 1 1 54 54 LEU HD23 H 1 0.846 . . . . . . . 54 LEU HD23 . 15449 1 575 . 1 1 54 54 LEU HG H 1 1.381 . . . . . . . 54 LEU HG . 15449 1 576 . 1 1 54 54 LEU CA C 13 53.878 . . . . . . . 54 LEU CA . 15449 1 577 . 1 1 54 54 LEU CB C 13 44.713 . . . . . . . 54 LEU CB . 15449 1 578 . 1 1 54 54 LEU CD1 C 13 25.321 . . . . . . . 54 LEU CD1 . 15449 1 579 . 1 1 54 54 LEU CD2 C 13 25.321 . . . . . . . 54 LEU CD2 . 15449 1 580 . 1 1 54 54 LEU CG C 13 26.860 . . . . . . . 54 LEU CG . 15449 1 581 . 1 1 54 54 LEU N N 15 120.286 . . . . . . . 54 LEU N . 15449 1 582 . 1 1 55 55 VAL H H 1 8.536 . . . . . . . 55 VAL HN . 15449 1 583 . 1 1 55 55 VAL HA H 1 3.992 . . . . . . . 55 VAL HA . 15449 1 584 . 1 1 55 55 VAL HB H 1 1.937 . . . . . . . 55 VAL HB . 15449 1 585 . 1 1 55 55 VAL HG11 H 1 0.748 . . . . . . . 55 VAL HG11 . 15449 1 586 . 1 1 55 55 VAL HG12 H 1 0.748 . . . . . . . 55 VAL HG12 . 15449 1 587 . 1 1 55 55 VAL HG13 H 1 0.748 . . . . . . . 55 VAL HG13 . 15449 1 588 . 1 1 55 55 VAL HG21 H 1 0.798 . . . . . . . 55 VAL HG21 . 15449 1 589 . 1 1 55 55 VAL HG22 H 1 0.798 . . . . . . . 55 VAL HG22 . 15449 1 590 . 1 1 55 55 VAL HG23 H 1 0.798 . . . . . . . 55 VAL HG23 . 15449 1 591 . 1 1 55 55 VAL CA C 13 62.036 . . . . . . . 55 VAL CA . 15449 1 592 . 1 1 55 55 VAL CB C 13 31.747 . . . . . . . 55 VAL CB . 15449 1 593 . 1 1 55 55 VAL CG1 C 13 21.141 . . . . . . . 55 VAL CG1 . 15449 1 594 . 1 1 55 55 VAL CG2 C 13 20.672 . . . . . . . 55 VAL CG2 . 15449 1 595 . 1 1 55 55 VAL N N 15 126.599 . . . . . . . 55 VAL N . 15449 1 596 . 1 1 56 56 LEU H H 1 8.233 . . . . . . . 56 LEU HN . 15449 1 597 . 1 1 56 56 LEU HA H 1 4.917 . . . . . . . 56 LEU HA . 15449 1 598 . 1 1 56 56 LEU HB2 H 1 1.389 . . . . . . . 56 LEU HB1 . 15449 1 599 . 1 1 56 56 LEU HB3 H 1 1.341 . . . . . . . 56 LEU HB2 . 15449 1 600 . 1 1 56 56 LEU HD11 H 1 0.744 . . . . . . . 56 LEU HD11 . 15449 1 601 . 1 1 56 56 LEU HD12 H 1 0.744 . . . . . . . 56 LEU HD12 . 15449 1 602 . 1 1 56 56 LEU HD13 H 1 0.744 . . . . . . . 56 LEU HD13 . 15449 1 603 . 1 1 56 56 LEU HD21 H 1 0.846 . . . . . . . 56 LEU HD21 . 15449 1 604 . 1 1 56 56 LEU HD22 H 1 0.846 . . . . . . . 56 LEU HD22 . 15449 1 605 . 1 1 56 56 LEU HD23 H 1 0.846 . . . . . . . 56 LEU HD23 . 15449 1 606 . 1 1 56 56 LEU HG H 1 1.439 . . . . . . . 56 LEU HG . 15449 1 607 . 1 1 56 56 LEU CA C 13 51.295 . . . . . . . 56 LEU CA . 15449 1 608 . 1 1 56 56 LEU CB C 13 45.514 . . . . . . . 56 LEU CB . 15449 1 609 . 1 1 56 56 LEU CD1 C 13 25.938 . . . . . . . 56 LEU CD1 . 15449 1 610 . 1 1 56 56 LEU CD2 C 13 23.754 . . . . . . . 56 LEU CD2 . 15449 1 611 . 1 1 56 56 LEU CG C 13 27.229 . . . . . . . 56 LEU CG . 15449 1 612 . 1 1 56 56 LEU N N 15 128.567 . . . . . . . 56 LEU N . 15449 1 613 . 1 1 57 57 PRO HA H 1 4.595 . . . . . . . 57 PRO HA . 15449 1 614 . 1 1 57 57 PRO HB2 H 1 2.407 . . . . . . . 57 PRO HB1 . 15449 1 615 . 1 1 57 57 PRO HB3 H 1 1.936 . . . . . . . 57 PRO HB2 . 15449 1 616 . 1 1 57 57 PRO HD2 H 1 3.832 . . . . . . . 57 PRO HD1 . 15449 1 617 . 1 1 57 57 PRO HD3 H 1 3.549 . . . . . . . 57 PRO HD2 . 15449 1 618 . 1 1 57 57 PRO HG2 H 1 2.080 . . . . . . . 57 PRO HG1 . 15449 1 619 . 1 1 57 57 PRO HG3 H 1 1.937 . . . . . . . 57 PRO HG2 . 15449 1 620 . 1 1 57 57 PRO CA C 13 61.711 . . . . . . . 57 PRO CA . 15449 1 621 . 1 1 57 57 PRO CB C 13 32.408 . . . . . . . 57 PRO CB . 15449 1 622 . 1 1 57 57 PRO CD C 13 50.475 . . . . . . . 57 PRO CD . 15449 1 623 . 1 1 57 57 PRO CG C 13 27.756 . . . . . . . 57 PRO CG . 15449 1 624 . 1 1 58 58 ILE H H 1 8.938 . . . . . . . 58 ILE HN . 15449 1 625 . 1 1 58 58 ILE HA H 1 3.694 . . . . . . . 58 ILE HA . 15449 1 626 . 1 1 58 58 ILE HB H 1 1.893 . . . . . . . 58 ILE HB . 15449 1 627 . 1 1 58 58 ILE HD11 H 1 0.785 . . . . . . . 58 ILE HD11 . 15449 1 628 . 1 1 58 58 ILE HD12 H 1 0.785 . . . . . . . 58 ILE HD12 . 15449 1 629 . 1 1 58 58 ILE HD13 H 1 0.785 . . . . . . . 58 ILE HD13 . 15449 1 630 . 1 1 58 58 ILE HG12 H 1 1.428 . . . . . . . 58 ILE HG11 . 15449 1 631 . 1 1 58 58 ILE HG13 H 1 1.378 . . . . . . . 58 ILE HG12 . 15449 1 632 . 1 1 58 58 ILE HG21 H 1 0.878 . . . . . . . 58 ILE HG21 . 15449 1 633 . 1 1 58 58 ILE HG22 H 1 0.878 . . . . . . . 58 ILE HG22 . 15449 1 634 . 1 1 58 58 ILE HG23 H 1 0.878 . . . . . . . 58 ILE HG23 . 15449 1 635 . 1 1 58 58 ILE CA C 13 63.155 . . . . . . . 58 ILE CA . 15449 1 636 . 1 1 58 58 ILE CB C 13 37.083 . . . . . . . 58 ILE CB . 15449 1 637 . 1 1 58 58 ILE CD1 C 13 12.302 . . . . . . . 58 ILE CD1 . 15449 1 638 . 1 1 58 58 ILE CG1 C 13 28.537 . . . . . . . 58 ILE CG1 . 15449 1 639 . 1 1 58 58 ILE CG2 C 13 17.853 . . . . . . . 58 ILE CG2 . 15449 1 640 . 1 1 58 58 ILE N N 15 123.966 . . . . . . . 58 ILE N . 15449 1 641 . 1 1 59 59 ARG H H 1 8.580 . . . . . . . 59 ARG HN . 15449 1 642 . 1 1 59 59 ARG HA H 1 3.961 . . . . . . . 59 ARG HA . 15449 1 643 . 1 1 59 59 ARG HB2 H 1 1.876 . . . . . . . 59 ARG HB1 . 15449 1 644 . 1 1 59 59 ARG HB3 H 1 1.664 . . . . . . . 59 ARG HB2 . 15449 1 645 . 1 1 59 59 ARG HD2 H 1 3.158 . . . . . . . 59 ARG HD1 . 15449 1 646 . 1 1 59 59 ARG HD3 H 1 3.158 . . . . . . . 59 ARG HD2 . 15449 1 647 . 1 1 59 59 ARG HG2 H 1 1.596 . . . . . . . 59 ARG HG1 . 15449 1 648 . 1 1 59 59 ARG HG3 H 1 1.491 . . . . . . . 59 ARG HG2 . 15449 1 649 . 1 1 59 59 ARG CA C 13 59.429 . . . . . . . 59 ARG CA . 15449 1 650 . 1 1 59 59 ARG CB C 13 29.806 . . . . . . . 59 ARG CB . 15449 1 651 . 1 1 59 59 ARG CD C 13 43.416 . . . . . . . 59 ARG CD . 15449 1 652 . 1 1 59 59 ARG CG C 13 27.309 . . . . . . . 59 ARG CG . 15449 1 653 . 1 1 59 59 ARG N N 15 118.397 . . . . . . . 59 ARG N . 15449 1 654 . 1 1 60 60 GLU H H 1 7.158 . . . . . . . 60 GLU HN . 15449 1 655 . 1 1 60 60 GLU HA H 1 4.190 . . . . . . . 60 GLU HA . 15449 1 656 . 1 1 60 60 GLU HB2 H 1 2.089 . . . . . . . 60 GLU HB1 . 15449 1 657 . 1 1 60 60 GLU HB3 H 1 1.915 . . . . . . . 60 GLU HB2 . 15449 1 658 . 1 1 60 60 GLU HG2 H 1 2.229 . . . . . . . 60 GLU HG1 . 15449 1 659 . 1 1 60 60 GLU HG3 H 1 2.229 . . . . . . . 60 GLU HG2 . 15449 1 660 . 1 1 60 60 GLU CA C 13 58.223 . . . . . . . 60 GLU CA . 15449 1 661 . 1 1 60 60 GLU CB C 13 30.349 . . . . . . . 60 GLU CB . 15449 1 662 . 1 1 60 60 GLU CG C 13 36.984 . . . . . . . 60 GLU CG . 15449 1 663 . 1 1 60 60 GLU N N 15 116.061 . . . . . . . 60 GLU N . 15449 1 664 . 1 1 61 61 VAL H H 1 7.883 . . . . . . . 61 VAL HN . 15449 1 665 . 1 1 61 61 VAL HA H 1 3.400 . . . . . . . 61 VAL HA . 15449 1 666 . 1 1 61 61 VAL HB H 1 2.195 . . . . . . . 61 VAL HB . 15449 1 667 . 1 1 61 61 VAL HG11 H 1 0.808 . . . . . . . 61 VAL HG11 . 15449 1 668 . 1 1 61 61 VAL HG12 H 1 0.808 . . . . . . . 61 VAL HG12 . 15449 1 669 . 1 1 61 61 VAL HG13 H 1 0.808 . . . . . . . 61 VAL HG13 . 15449 1 670 . 1 1 61 61 VAL HG21 H 1 0.845 . . . . . . . 61 VAL HG21 . 15449 1 671 . 1 1 61 61 VAL HG22 H 1 0.845 . . . . . . . 61 VAL HG22 . 15449 1 672 . 1 1 61 61 VAL HG23 H 1 0.845 . . . . . . . 61 VAL HG23 . 15449 1 673 . 1 1 61 61 VAL CA C 13 66.387 . . . . . . . 61 VAL CA . 15449 1 674 . 1 1 61 61 VAL CB C 13 31.621 . . . . . . . 61 VAL CB . 15449 1 675 . 1 1 61 61 VAL CG1 C 13 21.461 . . . . . . . 61 VAL CG1 . 15449 1 676 . 1 1 61 61 VAL CG2 C 13 23.760 . . . . . . . 61 VAL CG2 . 15449 1 677 . 1 1 61 61 VAL N N 15 122.539 . . . . . . . 61 VAL N . 15449 1 678 . 1 1 62 62 ARG H H 1 7.820 . . . . . . . 62 ARG HN . 15449 1 679 . 1 1 62 62 ARG HA H 1 3.706 . . . . . . . 62 ARG HA . 15449 1 680 . 1 1 62 62 ARG HB2 H 1 1.857 . . . . . . . 62 ARG HB1 . 15449 1 681 . 1 1 62 62 ARG HB3 H 1 1.766 . . . . . . . 62 ARG HB2 . 15449 1 682 . 1 1 62 62 ARG HD2 H 1 3.145 . . . . . . . 62 ARG HD1 . 15449 1 683 . 1 1 62 62 ARG HD3 H 1 3.063 . . . . . . . 62 ARG HD2 . 15449 1 684 . 1 1 62 62 ARG HG2 H 1 1.759 . . . . . . . 62 ARG HG1 . 15449 1 685 . 1 1 62 62 ARG HG3 H 1 1.473 . . . . . . . 62 ARG HG2 . 15449 1 686 . 1 1 62 62 ARG CA C 13 59.725 . . . . . . . 62 ARG CA . 15449 1 687 . 1 1 62 62 ARG CB C 13 31.257 . . . . . . . 62 ARG CB . 15449 1 688 . 1 1 62 62 ARG CD C 13 43.567 . . . . . . . 62 ARG CD . 15449 1 689 . 1 1 62 62 ARG CG C 13 28.806 . . . . . . . 62 ARG CG . 15449 1 690 . 1 1 62 62 ARG N N 15 113.477 . . . . . . . 62 ARG N . 15449 1 691 . 1 1 63 63 GLN H H 1 6.828 . . . . . . . 63 GLN HN . 15449 1 692 . 1 1 63 63 GLN HA H 1 4.376 . . . . . . . 63 GLN HA . 15449 1 693 . 1 1 63 63 GLN HB2 H 1 2.327 . . . . . . . 63 GLN HB1 . 15449 1 694 . 1 1 63 63 GLN HB3 H 1 1.948 . . . . . . . 63 GLN HB2 . 15449 1 695 . 1 1 63 63 GLN HE21 H 1 6.833 . . . . . . . 63 GLN HE21 . 15449 1 696 . 1 1 63 63 GLN HE22 H 1 7.388 . . . . . . . 63 GLN HE22 . 15449 1 697 . 1 1 63 63 GLN HG2 H 1 2.545 . . . . . . . 63 GLN HG1 . 15449 1 698 . 1 1 63 63 GLN HG3 H 1 2.404 . . . . . . . 63 GLN HG2 . 15449 1 699 . 1 1 63 63 GLN CA C 13 55.144 . . . . . . . 63 GLN CA . 15449 1 700 . 1 1 63 63 GLN CB C 13 29.951 . . . . . . . 63 GLN CB . 15449 1 701 . 1 1 63 63 GLN CG C 13 34.064 . . . . . . . 63 GLN CG . 15449 1 702 . 1 1 63 63 GLN N N 15 111.463 . . . . . . . 63 GLN N . 15449 1 703 . 1 1 63 63 GLN NE2 N 15 111.957 . . . . . . . 63 GLN NE2 . 15449 1 704 . 1 1 64 64 LEU H H 1 7.379 . . . . . . . 64 LEU HN . 15449 1 705 . 1 1 64 64 LEU HA H 1 4.172 . . . . . . . 64 LEU HA . 15449 1 706 . 1 1 64 64 LEU HB2 H 1 2.025 . . . . . . . 64 LEU HB1 . 15449 1 707 . 1 1 64 64 LEU HB3 H 1 1.127 . . . . . . . 64 LEU HB2 . 15449 1 708 . 1 1 64 64 LEU HD11 H 1 0.791 . . . . . . . 64 LEU HD11 . 15449 1 709 . 1 1 64 64 LEU HD12 H 1 0.791 . . . . . . . 64 LEU HD12 . 15449 1 710 . 1 1 64 64 LEU HD13 H 1 0.791 . . . . . . . 64 LEU HD13 . 15449 1 711 . 1 1 64 64 LEU HD21 H 1 0.791 . . . . . . . 64 LEU HD21 . 15449 1 712 . 1 1 64 64 LEU HD22 H 1 0.791 . . . . . . . 64 LEU HD22 . 15449 1 713 . 1 1 64 64 LEU HD23 H 1 0.791 . . . . . . . 64 LEU HD23 . 15449 1 714 . 1 1 64 64 LEU HG H 1 2.019 . . . . . . . 64 LEU HG . 15449 1 715 . 1 1 64 64 LEU CA C 13 55.952 . . . . . . . 64 LEU CA . 15449 1 716 . 1 1 64 64 LEU CB C 13 43.068 . . . . . . . 64 LEU CB . 15449 1 717 . 1 1 64 64 LEU CD1 C 13 23.004 . . . . . . . 64 LEU CD1 . 15449 1 718 . 1 1 64 64 LEU CD2 C 13 23.004 . . . . . . . 64 LEU CD2 . 15449 1 719 . 1 1 64 64 LEU CG C 13 26.348 . . . . . . . 64 LEU CG . 15449 1 720 . 1 1 64 64 LEU N N 15 121.349 . . . . . . . 64 LEU N . 15449 1 721 . 1 1 65 65 THR H H 1 6.392 . . . . . . . 65 THR HN . 15449 1 722 . 1 1 65 65 THR HA H 1 5.032 . . . . . . . 65 THR HA . 15449 1 723 . 1 1 65 65 THR HB H 1 4.675 . . . . . . . 65 THR HB . 15449 1 724 . 1 1 65 65 THR HG21 H 1 0.962 . . . . . . . 65 THR HG21 . 15449 1 725 . 1 1 65 65 THR HG22 H 1 0.962 . . . . . . . 65 THR HG22 . 15449 1 726 . 1 1 65 65 THR HG23 H 1 0.962 . . . . . . . 65 THR HG23 . 15449 1 727 . 1 1 65 65 THR CA C 13 57.929 . . . . . . . 65 THR CA . 15449 1 728 . 1 1 65 65 THR CB C 13 71.511 . . . . . . . 65 THR CB . 15449 1 729 . 1 1 65 65 THR CG2 C 13 21.608 . . . . . . . 65 THR CG2 . 15449 1 730 . 1 1 66 66 LEU H H 1 8.802 . . . . . . . 66 LEU HN . 15449 1 731 . 1 1 66 66 LEU HA H 1 4.036 . . . . . . . 66 LEU HA . 15449 1 732 . 1 1 66 66 LEU HB2 H 1 1.956 . . . . . . . 66 LEU HB1 . 15449 1 733 . 1 1 66 66 LEU HB3 H 1 1.301 . . . . . . . 66 LEU HB2 . 15449 1 734 . 1 1 66 66 LEU HD11 H 1 0.680 . . . . . . . 66 LEU HD11 . 15449 1 735 . 1 1 66 66 LEU HD12 H 1 0.680 . . . . . . . 66 LEU HD12 . 15449 1 736 . 1 1 66 66 LEU HD13 H 1 0.680 . . . . . . . 66 LEU HD13 . 15449 1 737 . 1 1 66 66 LEU HD21 H 1 0.729 . . . . . . . 66 LEU HD21 . 15449 1 738 . 1 1 66 66 LEU HD22 H 1 0.729 . . . . . . . 66 LEU HD22 . 15449 1 739 . 1 1 66 66 LEU HD23 H 1 0.729 . . . . . . . 66 LEU HD23 . 15449 1 740 . 1 1 66 66 LEU HG H 1 1.745 . . . . . . . 66 LEU HG . 15449 1 741 . 1 1 66 66 LEU CA C 13 58.681 . . . . . . . 66 LEU CA . 15449 1 742 . 1 1 66 66 LEU CB C 13 41.161 . . . . . . . 66 LEU CB . 15449 1 743 . 1 1 66 66 LEU CD1 C 13 22.575 . . . . . . . 66 LEU CD1 . 15449 1 744 . 1 1 66 66 LEU CD2 C 13 26.240 . . . . . . . 66 LEU CD2 . 15449 1 745 . 1 1 66 66 LEU CG C 13 27.000 . . . . . . . 66 LEU CG . 15449 1 746 . 1 1 66 66 LEU N N 15 120.696 . . . . . . . 66 LEU N . 15449 1 747 . 1 1 67 67 ARG H H 1 8.917 . . . . . . . 67 ARG HN . 15449 1 748 . 1 1 67 67 ARG HA H 1 3.801 . . . . . . . 67 ARG HA . 15449 1 749 . 1 1 67 67 ARG HB2 H 1 1.588 . . . . . . . 67 ARG HB1 . 15449 1 750 . 1 1 67 67 ARG HB3 H 1 1.588 . . . . . . . 67 ARG HB2 . 15449 1 751 . 1 1 67 67 ARG HD2 H 1 3.324 . . . . . . . 67 ARG HD1 . 15449 1 752 . 1 1 67 67 ARG HD3 H 1 2.994 . . . . . . . 67 ARG HD2 . 15449 1 753 . 1 1 67 67 ARG HE H 1 8.674 . . . . . . . 67 ARG HE . 15449 1 754 . 1 1 67 67 ARG CA C 13 59.849 . . . . . . . 67 ARG CA . 15449 1 755 . 1 1 67 67 ARG CB C 13 30.037 . . . . . . . 67 ARG CB . 15449 1 756 . 1 1 67 67 ARG CD C 13 42.702 . . . . . . . 67 ARG CD . 15449 1 757 . 1 1 67 67 ARG N N 15 120.193 . . . . . . . 67 ARG N . 15449 1 758 . 1 1 68 68 LYS H H 1 7.887 . . . . . . . 68 LYS HN . 15449 1 759 . 1 1 68 68 LYS HA H 1 4.051 . . . . . . . 68 LYS HA . 15449 1 760 . 1 1 68 68 LYS HB2 H 1 1.844 . . . . . . . 68 LYS HB1 . 15449 1 761 . 1 1 68 68 LYS HB3 H 1 1.844 . . . . . . . 68 LYS HB2 . 15449 1 762 . 1 1 68 68 LYS HD2 H 1 1.700 . . . . . . . 68 LYS HD1 . 15449 1 763 . 1 1 68 68 LYS HD3 H 1 1.700 . . . . . . . 68 LYS HD2 . 15449 1 764 . 1 1 68 68 LYS HE2 H 1 2.927 . . . . . . . 68 LYS HE1 . 15449 1 765 . 1 1 68 68 LYS HE3 H 1 2.927 . . . . . . . 68 LYS HE2 . 15449 1 766 . 1 1 68 68 LYS HG2 H 1 1.503 . . . . . . . 68 LYS HG1 . 15449 1 767 . 1 1 68 68 LYS HG3 H 1 1.503 . . . . . . . 68 LYS HG2 . 15449 1 768 . 1 1 68 68 LYS CA C 13 58.644 . . . . . . . 68 LYS CA . 15449 1 769 . 1 1 68 68 LYS CB C 13 32.455 . . . . . . . 68 LYS CB . 15449 1 770 . 1 1 68 68 LYS CD C 13 28.937 . . . . . . . 68 LYS CD . 15449 1 771 . 1 1 68 68 LYS CE C 13 42.120 . . . . . . . 68 LYS CE . 15449 1 772 . 1 1 68 68 LYS CG C 13 25.498 . . . . . . . 68 LYS CG . 15449 1 773 . 1 1 68 68 LYS N N 15 118.771 . . . . . . . 68 LYS N . 15449 1 774 . 1 1 69 69 LEU H H 1 7.912 . . . . . . . 69 LEU HN . 15449 1 775 . 1 1 69 69 LEU HA H 1 4.045 . . . . . . . 69 LEU HA . 15449 1 776 . 1 1 69 69 LEU HB2 H 1 2.033 . . . . . . . 69 LEU HB1 . 15449 1 777 . 1 1 69 69 LEU HB3 H 1 1.148 . . . . . . . 69 LEU HB2 . 15449 1 778 . 1 1 69 69 LEU HD11 H 1 0.819 . . . . . . . 69 LEU HD11 . 15449 1 779 . 1 1 69 69 LEU HD12 H 1 0.819 . . . . . . . 69 LEU HD12 . 15449 1 780 . 1 1 69 69 LEU HD13 H 1 0.819 . . . . . . . 69 LEU HD13 . 15449 1 781 . 1 1 69 69 LEU HD21 H 1 0.824 . . . . . . . 69 LEU HD21 . 15449 1 782 . 1 1 69 69 LEU HD22 H 1 0.824 . . . . . . . 69 LEU HD22 . 15449 1 783 . 1 1 69 69 LEU HD23 H 1 0.824 . . . . . . . 69 LEU HD23 . 15449 1 784 . 1 1 69 69 LEU HG H 1 1.856 . . . . . . . 69 LEU HG . 15449 1 785 . 1 1 69 69 LEU CA C 13 57.895 . . . . . . . 69 LEU CA . 15449 1 786 . 1 1 69 69 LEU CB C 13 41.480 . . . . . . . 69 LEU CB . 15449 1 787 . 1 1 69 69 LEU CD1 C 13 23.908 . . . . . . . 69 LEU CD1 . 15449 1 788 . 1 1 69 69 LEU CD2 C 13 27.047 . . . . . . . 69 LEU CD2 . 15449 1 789 . 1 1 69 69 LEU CG C 13 26.900 . . . . . . . 69 LEU CG . 15449 1 790 . 1 1 69 69 LEU N N 15 118.821 . . . . . . . 69 LEU N . 15449 1 791 . 1 1 70 70 GLN H H 1 8.316 . . . . . . . 70 GLN HN . 15449 1 792 . 1 1 70 70 GLN HA H 1 3.897 . . . . . . . 70 GLN HA . 15449 1 793 . 1 1 70 70 GLN HB2 H 1 2.236 . . . . . . . 70 GLN HB1 . 15449 1 794 . 1 1 70 70 GLN HB3 H 1 2.236 . . . . . . . 70 GLN HB2 . 15449 1 795 . 1 1 70 70 GLN HE21 H 1 6.599 . . . . . . . 70 GLN HE21 . 15449 1 796 . 1 1 70 70 GLN HE22 H 1 7.335 . . . . . . . 70 GLN HE22 . 15449 1 797 . 1 1 70 70 GLN HG2 H 1 2.435 . . . . . . . 70 GLN HG1 . 15449 1 798 . 1 1 70 70 GLN HG3 H 1 2.298 . . . . . . . 70 GLN HG2 . 15449 1 799 . 1 1 70 70 GLN CA C 13 59.199 . . . . . . . 70 GLN CA . 15449 1 800 . 1 1 70 70 GLN CB C 13 28.780 . . . . . . . 70 GLN CB . 15449 1 801 . 1 1 70 70 GLN CG C 13 34.200 . . . . . . . 70 GLN CG . 15449 1 802 . 1 1 70 70 GLN N N 15 120.930 . . . . . . . 70 GLN N . 15449 1 803 . 1 1 70 70 GLN NE2 N 15 110.708 . . . . . . . 70 GLN NE2 . 15449 1 804 . 1 1 71 71 GLU H H 1 7.961 . . . . . . . 71 GLU HN . 15449 1 805 . 1 1 71 71 GLU HA H 1 4.038 . . . . . . . 71 GLU HA . 15449 1 806 . 1 1 71 71 GLU HB2 H 1 2.198 . . . . . . . 71 GLU HB1 . 15449 1 807 . 1 1 71 71 GLU HB3 H 1 2.130 . . . . . . . 71 GLU HB2 . 15449 1 808 . 1 1 71 71 GLU HG2 H 1 2.455 . . . . . . . 71 GLU HG1 . 15449 1 809 . 1 1 71 71 GLU HG3 H 1 2.197 . . . . . . . 71 GLU HG2 . 15449 1 810 . 1 1 71 71 GLU CA C 13 58.989 . . . . . . . 71 GLU CA . 15449 1 811 . 1 1 71 71 GLU CB C 13 29.685 . . . . . . . 71 GLU CB . 15449 1 812 . 1 1 71 71 GLU CG C 13 36.420 . . . . . . . 71 GLU CG . 15449 1 813 . 1 1 71 71 GLU N N 15 120.108 . . . . . . . 71 GLU N . 15449 1 814 . 1 1 72 72 MET H H 1 7.992 . . . . . . . 72 MET HN . 15449 1 815 . 1 1 72 72 MET HA H 1 4.117 . . . . . . . 72 MET HA . 15449 1 816 . 1 1 72 72 MET HB2 H 1 2.013 . . . . . . . 72 MET HB1 . 15449 1 817 . 1 1 72 72 MET HB3 H 1 1.913 . . . . . . . 72 MET HB2 . 15449 1 818 . 1 1 72 72 MET HG2 H 1 2.616 . . . . . . . 72 MET HG1 . 15449 1 819 . 1 1 72 72 MET HG3 H 1 2.490 . . . . . . . 72 MET HG2 . 15449 1 820 . 1 1 72 72 MET CA C 13 58.237 . . . . . . . 72 MET CA . 15449 1 821 . 1 1 72 72 MET CB C 13 33.670 . . . . . . . 72 MET CB . 15449 1 822 . 1 1 72 72 MET CG C 13 32.029 . . . . . . . 72 MET CG . 15449 1 823 . 1 1 72 72 MET N N 15 117.885 . . . . . . . 72 MET N . 15449 1 824 . 1 1 73 73 SER H H 1 7.722 . . . . . . . 73 SER HN . 15449 1 825 . 1 1 73 73 SER HA H 1 4.416 . . . . . . . 73 SER HA . 15449 1 826 . 1 1 73 73 SER HB2 H 1 4.093 . . . . . . . 73 SER HB1 . 15449 1 827 . 1 1 73 73 SER HB3 H 1 3.973 . . . . . . . 73 SER HB2 . 15449 1 828 . 1 1 73 73 SER CA C 13 59.649 . . . . . . . 73 SER CA . 15449 1 829 . 1 1 73 73 SER CB C 13 64.077 . . . . . . . 73 SER CB . 15449 1 830 . 1 1 73 73 SER N N 15 113.308 . . . . . . . 73 SER N . 15449 1 831 . 1 1 74 74 SER H H 1 7.914 . . . . . . . 74 SER HN . 15449 1 832 . 1 1 74 74 SER HA H 1 4.474 . . . . . . . 74 SER HA . 15449 1 833 . 1 1 74 74 SER HB2 H 1 3.943 . . . . . . . 74 SER HB1 . 15449 1 834 . 1 1 74 74 SER HB3 H 1 3.850 . . . . . . . 74 SER HB2 . 15449 1 835 . 1 1 74 74 SER CA C 13 59.101 . . . . . . . 74 SER CA . 15449 1 836 . 1 1 74 74 SER CB C 13 63.851 . . . . . . . 74 SER CB . 15449 1 837 . 1 1 74 74 SER N N 15 116.509 . . . . . . . 74 SER N . 15449 1 838 . 1 1 75 75 LYS H H 1 8.130 . . . . . . . 75 LYS HN . 15449 1 839 . 1 1 75 75 LYS HA H 1 4.325 . . . . . . . 75 LYS HA . 15449 1 840 . 1 1 75 75 LYS HB2 H 1 1.840 . . . . . . . 75 LYS HB1 . 15449 1 841 . 1 1 75 75 LYS HB3 H 1 1.721 . . . . . . . 75 LYS HB2 . 15449 1 842 . 1 1 75 75 LYS HD2 H 1 1.657 . . . . . . . 75 LYS HD1 . 15449 1 843 . 1 1 75 75 LYS HD3 H 1 1.657 . . . . . . . 75 LYS HD2 . 15449 1 844 . 1 1 75 75 LYS HE2 H 1 2.978 . . . . . . . 75 LYS HE1 . 15449 1 845 . 1 1 75 75 LYS HE3 H 1 2.978 . . . . . . . 75 LYS HE2 . 15449 1 846 . 1 1 75 75 LYS HG2 H 1 1.415 . . . . . . . 75 LYS HG1 . 15449 1 847 . 1 1 75 75 LYS HG3 H 1 1.415 . . . . . . . 75 LYS HG2 . 15449 1 848 . 1 1 75 75 LYS CA C 13 56.442 . . . . . . . 75 LYS CA . 15449 1 849 . 1 1 75 75 LYS CB C 13 32.858 . . . . . . . 75 LYS CB . 15449 1 850 . 1 1 75 75 LYS CD C 13 29.106 . . . . . . . 75 LYS CD . 15449 1 851 . 1 1 75 75 LYS CE C 13 42.581 . . . . . . . 75 LYS CE . 15449 1 852 . 1 1 75 75 LYS CG C 13 24.735 . . . . . . . 75 LYS CG . 15449 1 853 . 1 1 75 75 LYS N N 15 122.900 . . . . . . . 75 LYS N . 15449 1 854 . 1 1 76 76 ALA H H 1 8.220 . . . . . . . 76 ALA HN . 15449 1 855 . 1 1 76 76 ALA HA H 1 4.340 . . . . . . . 76 ALA HA . 15449 1 856 . 1 1 76 76 ALA HB1 H 1 1.421 . . . . . . . 76 ALA HB1 . 15449 1 857 . 1 1 76 76 ALA HB2 H 1 1.421 . . . . . . . 76 ALA HB2 . 15449 1 858 . 1 1 76 76 ALA HB3 H 1 1.421 . . . . . . . 76 ALA HB3 . 15449 1 859 . 1 1 76 76 ALA CA C 13 52.907 . . . . . . . 76 ALA CA . 15449 1 860 . 1 1 76 76 ALA CB C 13 19.315 . . . . . . . 76 ALA CB . 15449 1 861 . 1 1 76 76 ALA N N 15 124.937 . . . . . . . 76 ALA N . 15449 1 862 . 1 1 77 77 GLY H H 1 8.353 . . . . . . . 77 GLY HN . 15449 1 863 . 1 1 77 77 GLY CA C 13 45.405 . . . . . . . 77 GLY CA . 15449 1 864 . 1 1 77 77 GLY N N 15 108.296 . . . . . . . 77 GLY N . 15449 1 865 . 1 1 78 78 SER H H 1 8.181 . . . . . . . 78 SER HN . 15449 1 866 . 1 1 78 78 SER HA H 1 4.472 . . . . . . . 78 SER HA . 15449 1 867 . 1 1 78 78 SER HB2 H 1 3.932 . . . . . . . 78 SER HB1 . 15449 1 868 . 1 1 78 78 SER HB3 H 1 3.847 . . . . . . . 78 SER HB2 . 15449 1 869 . 1 1 78 78 SER CA C 13 58.477 . . . . . . . 78 SER CA . 15449 1 870 . 1 1 78 78 SER CB C 13 64.091 . . . . . . . 78 SER CB . 15449 1 871 . 1 1 78 78 SER N N 15 115.467 . . . . . . . 78 SER N . 15449 1 872 . 1 1 79 79 ASP H H 1 8.494 . . . . . . . 79 ASP HN . 15449 1 873 . 1 1 79 79 ASP HA H 1 4.640 . . . . . . . 79 ASP HA . 15449 1 874 . 1 1 79 79 ASP HB2 H 1 2.711 . . . . . . . 79 ASP HB1 . 15449 1 875 . 1 1 79 79 ASP HB3 H 1 2.658 . . . . . . . 79 ASP HB2 . 15449 1 876 . 1 1 79 79 ASP CA C 13 54.777 . . . . . . . 79 ASP CA . 15449 1 877 . 1 1 79 79 ASP CB C 13 41.015 . . . . . . . 79 ASP CB . 15449 1 878 . 1 1 79 79 ASP N N 15 122.409 . . . . . . . 79 ASP N . 15449 1 879 . 1 1 80 80 THR H H 1 8.016 . . . . . . . 80 THR HN . 15449 1 880 . 1 1 80 80 THR HA H 1 4.242 . . . . . . . 80 THR HA . 15449 1 881 . 1 1 80 80 THR HB H 1 4.245 . . . . . . . 80 THR HB . 15449 1 882 . 1 1 80 80 THR HG21 H 1 1.181 . . . . . . . 80 THR HG21 . 15449 1 883 . 1 1 80 80 THR HG22 H 1 1.181 . . . . . . . 80 THR HG22 . 15449 1 884 . 1 1 80 80 THR HG23 H 1 1.181 . . . . . . . 80 THR HG23 . 15449 1 885 . 1 1 80 80 THR CA C 13 62.458 . . . . . . . 80 THR CA . 15449 1 886 . 1 1 80 80 THR CB C 13 69.707 . . . . . . . 80 THR CB . 15449 1 887 . 1 1 80 80 THR CG2 C 13 21.340 . . . . . . . 80 THR CG2 . 15449 1 888 . 1 1 80 80 THR N N 15 113.817 . . . . . . . 80 THR N . 15449 1 889 . 1 1 81 81 GLU H H 1 8.273 . . . . . . . 81 GLU HN . 15449 1 890 . 1 1 81 81 GLU CA C 13 56.832 . . . . . . . 81 GLU CA . 15449 1 891 . 1 1 81 81 GLU CB C 13 30.165 . . . . . . . 81 GLU CB . 15449 1 892 . 1 1 81 81 GLU N N 15 123.037 . . . . . . . 81 GLU N . 15449 1 893 . 1 1 82 82 LEU H H 1 8.099 . . . . . . . 82 LEU HN . 15449 1 894 . 1 1 82 82 LEU HA H 1 4.260 . . . . . . . 82 LEU HA . 15449 1 895 . 1 1 82 82 LEU HB2 H 1 1.606 . . . . . . . 82 LEU HB1 . 15449 1 896 . 1 1 82 82 LEU HB3 H 1 1.544 . . . . . . . 82 LEU HB2 . 15449 1 897 . 1 1 82 82 LEU HD11 H 1 0.839 . . . . . . . 82 LEU HD11 . 15449 1 898 . 1 1 82 82 LEU HD12 H 1 0.839 . . . . . . . 82 LEU HD12 . 15449 1 899 . 1 1 82 82 LEU HD13 H 1 0.839 . . . . . . . 82 LEU HD13 . 15449 1 900 . 1 1 82 82 LEU HD21 H 1 0.897 . . . . . . . 82 LEU HD21 . 15449 1 901 . 1 1 82 82 LEU HD22 H 1 0.897 . . . . . . . 82 LEU HD22 . 15449 1 902 . 1 1 82 82 LEU HD23 H 1 0.897 . . . . . . . 82 LEU HD23 . 15449 1 903 . 1 1 82 82 LEU CA C 13 55.308 . . . . . . . 82 LEU CA . 15449 1 904 . 1 1 82 82 LEU CB C 13 42.320 . . . . . . . 82 LEU CB . 15449 1 905 . 1 1 82 82 LEU CD1 C 13 23.573 . . . . . . . 82 LEU CD1 . 15449 1 906 . 1 1 82 82 LEU CD2 C 13 24.996 . . . . . . . 82 LEU CD2 . 15449 1 907 . 1 1 82 82 LEU N N 15 122.786 . . . . . . . 82 LEU N . 15449 1 908 . 1 1 83 83 ALA H H 1 8.075 . . . . . . . 83 ALA HN . 15449 1 909 . 1 1 83 83 ALA HA H 1 4.263 . . . . . . . 83 ALA HA . 15449 1 910 . 1 1 83 83 ALA HB1 H 1 1.333 . . . . . . . 83 ALA HB1 . 15449 1 911 . 1 1 83 83 ALA HB2 H 1 1.333 . . . . . . . 83 ALA HB2 . 15449 1 912 . 1 1 83 83 ALA HB3 H 1 1.333 . . . . . . . 83 ALA HB3 . 15449 1 913 . 1 1 83 83 ALA CA C 13 52.199 . . . . . . . 83 ALA CA . 15449 1 914 . 1 1 83 83 ALA CB C 13 19.336 . . . . . . . 83 ALA CB . 15449 1 915 . 1 1 83 83 ALA N N 15 124.360 . . . . . . . 83 ALA N . 15449 1 916 . 1 1 84 84 ALA H H 1 8.058 . . . . . . . 84 ALA HN . 15449 1 917 . 1 1 84 84 ALA HA H 1 4.539 . . . . . . . 84 ALA HA . 15449 1 918 . 1 1 84 84 ALA HB1 H 1 1.318 . . . . . . . 84 ALA HB1 . 15449 1 919 . 1 1 84 84 ALA HB2 H 1 1.318 . . . . . . . 84 ALA HB2 . 15449 1 920 . 1 1 84 84 ALA HB3 H 1 1.318 . . . . . . . 84 ALA HB3 . 15449 1 921 . 1 1 84 84 ALA CA C 13 50.495 . . . . . . . 84 ALA CA . 15449 1 922 . 1 1 84 84 ALA CB C 13 18.168 . . . . . . . 84 ALA CB . 15449 1 923 . 1 1 84 84 ALA N N 15 124.390 . . . . . . . 84 ALA N . 15449 1 924 . 1 1 85 85 PRO HA H 1 4.387 . . . . . . . 85 PRO HA . 15449 1 925 . 1 1 85 85 PRO HB2 H 1 2.268 . . . . . . . 85 PRO HB1 . 15449 1 926 . 1 1 85 85 PRO HB3 H 1 1.865 . . . . . . . 85 PRO HB2 . 15449 1 927 . 1 1 85 85 PRO HD2 H 1 3.762 . . . . . . . 85 PRO HD1 . 15449 1 928 . 1 1 85 85 PRO HD3 H 1 3.596 . . . . . . . 85 PRO HD2 . 15449 1 929 . 1 1 85 85 PRO HG2 H 1 1.995 . . . . . . . 85 PRO HG1 . 15449 1 930 . 1 1 85 85 PRO HG3 H 1 1.995 . . . . . . . 85 PRO HG2 . 15449 1 931 . 1 1 85 85 PRO CA C 13 63.125 . . . . . . . 85 PRO CA . 15449 1 932 . 1 1 85 85 PRO CB C 13 32.176 . . . . . . . 85 PRO CB . 15449 1 933 . 1 1 85 85 PRO CD C 13 50.487 . . . . . . . 85 PRO CD . 15449 1 934 . 1 1 85 85 PRO CG C 13 27.495 . . . . . . . 85 PRO CG . 15449 1 935 . 1 1 86 86 LYS H H 1 8.407 . . . . . . . 86 LYS HN . 15449 1 936 . 1 1 86 86 LYS HA H 1 4.301 . . . . . . . 86 LYS HA . 15449 1 937 . 1 1 86 86 LYS HB2 H 1 1.827 . . . . . . . 86 LYS HB1 . 15449 1 938 . 1 1 86 86 LYS HB3 H 1 1.727 . . . . . . . 86 LYS HB2 . 15449 1 939 . 1 1 86 86 LYS HD2 H 1 1.675 . . . . . . . 86 LYS HD1 . 15449 1 940 . 1 1 86 86 LYS HD3 H 1 1.675 . . . . . . . 86 LYS HD2 . 15449 1 941 . 1 1 86 86 LYS HE2 H 1 2.994 . . . . . . . 86 LYS HE1 . 15449 1 942 . 1 1 86 86 LYS HE3 H 1 2.994 . . . . . . . 86 LYS HE2 . 15449 1 943 . 1 1 86 86 LYS HG2 H 1 1.457 . . . . . . . 86 LYS HG1 . 15449 1 944 . 1 1 86 86 LYS HG3 H 1 1.457 . . . . . . . 86 LYS HG2 . 15449 1 945 . 1 1 86 86 LYS CA C 13 56.272 . . . . . . . 86 LYS CA . 15449 1 946 . 1 1 86 86 LYS CB C 13 33.260 . . . . . . . 86 LYS CB . 15449 1 947 . 1 1 86 86 LYS CD C 13 29.585 . . . . . . . 86 LYS CD . 15449 1 948 . 1 1 86 86 LYS CE C 13 41.967 . . . . . . . 86 LYS CE . 15449 1 949 . 1 1 86 86 LYS CG C 13 24.788 . . . . . . . 86 LYS CG . 15449 1 950 . 1 1 86 86 LYS N N 15 121.711 . . . . . . . 86 LYS N . 15449 1 951 . 1 1 87 87 SER H H 1 8.285 . . . . . . . 87 SER HN . 15449 1 952 . 1 1 87 87 SER HA H 1 4.383 . . . . . . . 87 SER HA . 15449 1 953 . 1 1 87 87 SER HB2 H 1 3.839 . . . . . . . 87 SER HB1 . 15449 1 954 . 1 1 87 87 SER HB3 H 1 3.839 . . . . . . . 87 SER HB2 . 15449 1 955 . 1 1 87 87 SER CA C 13 58.275 . . . . . . . 87 SER CA . 15449 1 956 . 1 1 87 87 SER CB C 13 63.981 . . . . . . . 87 SER CB . 15449 1 957 . 1 1 87 87 SER N N 15 117.043 . . . . . . . 87 SER N . 15449 1 958 . 1 1 88 88 LYS H H 1 8.329 . . . . . . . 88 LYS HN . 15449 1 959 . 1 1 88 88 LYS HA H 1 4.323 . . . . . . . 88 LYS HA . 15449 1 960 . 1 1 88 88 LYS HB2 H 1 1.847 . . . . . . . 88 LYS HB1 . 15449 1 961 . 1 1 88 88 LYS HB3 H 1 1.711 . . . . . . . 88 LYS HB2 . 15449 1 962 . 1 1 88 88 LYS HD2 H 1 1.612 . . . . . . . 88 LYS HD1 . 15449 1 963 . 1 1 88 88 LYS HD3 H 1 1.612 . . . . . . . 88 LYS HD2 . 15449 1 964 . 1 1 88 88 LYS HE2 H 1 2.947 . . . . . . . 88 LYS HE1 . 15449 1 965 . 1 1 88 88 LYS HE3 H 1 2.950 . . . . . . . 88 LYS HE2 . 15449 1 966 . 1 1 88 88 LYS HG2 H 1 1.415 . . . . . . . 88 LYS HG1 . 15449 1 967 . 1 1 88 88 LYS HG3 H 1 1.415 . . . . . . . 88 LYS HG2 . 15449 1 968 . 1 1 88 88 LYS CA C 13 56.365 . . . . . . . 88 LYS CA . 15449 1 969 . 1 1 88 88 LYS CB C 13 33.260 . . . . . . . 88 LYS CB . 15449 1 970 . 1 1 88 88 LYS CD C 13 29.585 . . . . . . . 88 LYS CD . 15449 1 971 . 1 1 88 88 LYS CE C 13 42.129 . . . . . . . 88 LYS CE . 15449 1 972 . 1 1 88 88 LYS CG C 13 24.683 . . . . . . . 88 LYS CG . 15449 1 973 . 1 1 88 88 LYS N N 15 123.498 . . . . . . . 88 LYS N . 15449 1 974 . 1 1 89 89 ASN H H 1 7.994 . . . . . . . 89 ASN HN . 15449 1 975 . 1 1 89 89 ASN HA H 1 4.432 . . . . . . . 89 ASN HA . 15449 1 976 . 1 1 89 89 ASN HB2 H 1 2.733 . . . . . . . 89 ASN HB1 . 15449 1 977 . 1 1 89 89 ASN HB3 H 1 2.615 . . . . . . . 89 ASN HB2 . 15449 1 978 . 1 1 89 89 ASN CA C 13 54.910 . . . . . . . 89 ASN CA . 15449 1 979 . 1 1 89 89 ASN CB C 13 40.446 . . . . . . . 89 ASN CB . 15449 1 980 . 1 1 89 89 ASN N N 15 125.227 . . . . . . . 89 ASN N . 15449 1 stop_ save_