data_5009 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5009 _Entry.Title ; Assignment of 1H,13C and 15N backbone resonances of p13suc1 proteins -- PA90 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-05-09 _Entry.Accession_date 2001-05-09 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Benoit Odaert . . . 5009 2 Isabelle Landrieu . . . 5009 3 Klaas Dijkstra . . . 5009 4 Gea Schuurman-wolters . . . 5009 5 Peter Casteels . . . 5009 6 Jean-Michel Wieruszeski . . . 5009 7 Ruud Scheek . M. . 5009 8 Guy Lippens . . . 5009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 822 5009 '13C chemical shifts' 524 5009 '15N chemical shifts' 120 5009 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 . . 2002-08-22 2001-05-09 original author . 5009 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5008 'wild type' 5009 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5009 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 13C and 15N resonances and secondary structure of the monomeric p13suc1 protein of Saccharomyces pombe ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 155 _Citation.Page_last 156 _Citation.Year 2002 _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 Benoit Odaert . . . 5009 1 2 Isabelle Landrieu . . . 5009 1 3 Klaas Dijkstra . . . 5009 1 4 Gea Schuurman-Wolters . . . 5009 1 5 Peter Casteels . . . 5009 1 6 Jean-Michel Wieruszeski . . . 5009 1 7 Ruud Scheek . M. . 5009 1 8 Guy Lippens . . . 5009 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cell division' 5009 1 'domain swapping' 5009 1 'protein folding' 5009 1 p13suc1 5009 1 'NMR spectroscopy' 5009 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_suc1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_suc1 _Assembly.Entry_ID 5009 _Assembly.ID 1 _Assembly.Name p13suc1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5009 1 stop_ 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 'p13 P90A mutant' 1 $P13PA90 . . . native . . . . . 5009 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID p13suc1 system 5009 1 suc1 abbreviation 5009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P13PA90 _Entity.Sf_category entity _Entity.Sf_framecode P13PA90 _Entity.Entry_ID 5009 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name suc1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSKSGVPRLLTASERERLEP FIDQIHYSPRYADDEYEYRH VMLPKAMLKAIPTDYFNPET GTLRILQEEEWRGLGITQSL GWEMYEVHVAEPHILLFKRE KDYQMKFSQQRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5008 . P13WT . . . . . 100.00 113 99.12 99.12 5.13e-76 . . . . 5009 1 2 no PDB 1PUC . "P13suc1 In A Strand-Exchanged Dimer" . . . . . 92.92 105 99.05 99.05 1.67e-69 . . . . 5009 1 3 no PDB 1SCE . "Crystal Structure Of The Cell Cycle Regulatory Protein Suc1 Reveals A Novel Beta-Hinge Conformational Switch" . . . . . 100.00 112 98.23 98.23 3.18e-73 . . . . 5009 1 4 no EMBL CAA21308 . "cyclin-dependent protein kinase regulatory subunit Suc1 [Schizosaccharomyces pombe]" . . . . . 100.00 113 99.12 99.12 5.13e-76 . . . . 5009 1 5 no GB AAA35346 . "cell division protein [Schizosaccharomyces pombe]" . . . . . 100.00 113 99.12 99.12 5.13e-76 . . . . 5009 1 6 no REF NP_595431 . "cyclin-dependent protein kinase regulatory subunit Suc1 [Schizosaccharomyces pombe 972h-]" . . . . . 100.00 113 99.12 99.12 5.13e-76 . . . . 5009 1 7 no SP P08463 . "RecName: Full=Cyclin-dependent kinases regulatory subunit; AltName: Full=P13 [Schizosaccharomyces pombe 972h-]" . . . . . 100.00 113 99.12 99.12 5.13e-76 . . . . 5009 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID suc1 common 5009 1 'p13suc1 P90A mutant' variant 5009 1 suc1 abbreviation 5009 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5009 1 2 . SER . 5009 1 3 . LYS . 5009 1 4 . SER . 5009 1 5 . GLY . 5009 1 6 . VAL . 5009 1 7 . PRO . 5009 1 8 . ARG . 5009 1 9 . LEU . 5009 1 10 . LEU . 5009 1 11 . THR . 5009 1 12 . ALA . 5009 1 13 . SER . 5009 1 14 . GLU . 5009 1 15 . ARG . 5009 1 16 . GLU . 5009 1 17 . ARG . 5009 1 18 . LEU . 5009 1 19 . GLU . 5009 1 20 . PRO . 5009 1 21 . PHE . 5009 1 22 . ILE . 5009 1 23 . ASP . 5009 1 24 . GLN . 5009 1 25 . ILE . 5009 1 26 . HIS . 5009 1 27 . TYR . 5009 1 28 . SER . 5009 1 29 . PRO . 5009 1 30 . ARG . 5009 1 31 . TYR . 5009 1 32 . ALA . 5009 1 33 . ASP . 5009 1 34 . ASP . 5009 1 35 . GLU . 5009 1 36 . TYR . 5009 1 37 . GLU . 5009 1 38 . TYR . 5009 1 39 . ARG . 5009 1 40 . HIS . 5009 1 41 . VAL . 5009 1 42 . MET . 5009 1 43 . LEU . 5009 1 44 . PRO . 5009 1 45 . LYS . 5009 1 46 . ALA . 5009 1 47 . MET . 5009 1 48 . LEU . 5009 1 49 . LYS . 5009 1 50 . ALA . 5009 1 51 . ILE . 5009 1 52 . PRO . 5009 1 53 . THR . 5009 1 54 . ASP . 5009 1 55 . TYR . 5009 1 56 . PHE . 5009 1 57 . ASN . 5009 1 58 . PRO . 5009 1 59 . GLU . 5009 1 60 . THR . 5009 1 61 . GLY . 5009 1 62 . THR . 5009 1 63 . LEU . 5009 1 64 . ARG . 5009 1 65 . ILE . 5009 1 66 . LEU . 5009 1 67 . GLN . 5009 1 68 . GLU . 5009 1 69 . GLU . 5009 1 70 . GLU . 5009 1 71 . TRP . 5009 1 72 . ARG . 5009 1 73 . GLY . 5009 1 74 . LEU . 5009 1 75 . GLY . 5009 1 76 . ILE . 5009 1 77 . THR . 5009 1 78 . GLN . 5009 1 79 . SER . 5009 1 80 . LEU . 5009 1 81 . GLY . 5009 1 82 . TRP . 5009 1 83 . GLU . 5009 1 84 . MET . 5009 1 85 . TYR . 5009 1 86 . GLU . 5009 1 87 . VAL . 5009 1 88 . HIS . 5009 1 89 . VAL . 5009 1 90 . ALA . 5009 1 91 . GLU . 5009 1 92 . PRO . 5009 1 93 . HIS . 5009 1 94 . ILE . 5009 1 95 . LEU . 5009 1 96 . LEU . 5009 1 97 . PHE . 5009 1 98 . LYS . 5009 1 99 . ARG . 5009 1 100 . GLU . 5009 1 101 . LYS . 5009 1 102 . ASP . 5009 1 103 . TYR . 5009 1 104 . GLN . 5009 1 105 . MET . 5009 1 106 . LYS . 5009 1 107 . PHE . 5009 1 108 . SER . 5009 1 109 . GLN . 5009 1 110 . GLN . 5009 1 111 . ARG . 5009 1 112 . GLY . 5009 1 113 . GLY . 5009 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5009 1 . SER 2 2 5009 1 . LYS 3 3 5009 1 . SER 4 4 5009 1 . GLY 5 5 5009 1 . VAL 6 6 5009 1 . PRO 7 7 5009 1 . ARG 8 8 5009 1 . LEU 9 9 5009 1 . LEU 10 10 5009 1 . THR 11 11 5009 1 . ALA 12 12 5009 1 . SER 13 13 5009 1 . GLU 14 14 5009 1 . ARG 15 15 5009 1 . GLU 16 16 5009 1 . ARG 17 17 5009 1 . LEU 18 18 5009 1 . GLU 19 19 5009 1 . PRO 20 20 5009 1 . PHE 21 21 5009 1 . ILE 22 22 5009 1 . ASP 23 23 5009 1 . GLN 24 24 5009 1 . ILE 25 25 5009 1 . HIS 26 26 5009 1 . TYR 27 27 5009 1 . SER 28 28 5009 1 . PRO 29 29 5009 1 . ARG 30 30 5009 1 . TYR 31 31 5009 1 . ALA 32 32 5009 1 . ASP 33 33 5009 1 . ASP 34 34 5009 1 . GLU 35 35 5009 1 . TYR 36 36 5009 1 . GLU 37 37 5009 1 . TYR 38 38 5009 1 . ARG 39 39 5009 1 . HIS 40 40 5009 1 . VAL 41 41 5009 1 . MET 42 42 5009 1 . LEU 43 43 5009 1 . PRO 44 44 5009 1 . LYS 45 45 5009 1 . ALA 46 46 5009 1 . MET 47 47 5009 1 . LEU 48 48 5009 1 . LYS 49 49 5009 1 . ALA 50 50 5009 1 . ILE 51 51 5009 1 . PRO 52 52 5009 1 . THR 53 53 5009 1 . ASP 54 54 5009 1 . TYR 55 55 5009 1 . PHE 56 56 5009 1 . ASN 57 57 5009 1 . PRO 58 58 5009 1 . GLU 59 59 5009 1 . THR 60 60 5009 1 . GLY 61 61 5009 1 . THR 62 62 5009 1 . LEU 63 63 5009 1 . ARG 64 64 5009 1 . ILE 65 65 5009 1 . LEU 66 66 5009 1 . GLN 67 67 5009 1 . GLU 68 68 5009 1 . GLU 69 69 5009 1 . GLU 70 70 5009 1 . TRP 71 71 5009 1 . ARG 72 72 5009 1 . GLY 73 73 5009 1 . LEU 74 74 5009 1 . GLY 75 75 5009 1 . ILE 76 76 5009 1 . THR 77 77 5009 1 . GLN 78 78 5009 1 . SER 79 79 5009 1 . LEU 80 80 5009 1 . GLY 81 81 5009 1 . TRP 82 82 5009 1 . GLU 83 83 5009 1 . MET 84 84 5009 1 . TYR 85 85 5009 1 . GLU 86 86 5009 1 . VAL 87 87 5009 1 . HIS 88 88 5009 1 . VAL 89 89 5009 1 . ALA 90 90 5009 1 . GLU 91 91 5009 1 . PRO 92 92 5009 1 . HIS 93 93 5009 1 . ILE 94 94 5009 1 . LEU 95 95 5009 1 . LEU 96 96 5009 1 . PHE 97 97 5009 1 . LYS 98 98 5009 1 . ARG 99 99 5009 1 . GLU 100 100 5009 1 . LYS 101 101 5009 1 . ASP 102 102 5009 1 . TYR 103 103 5009 1 . GLN 104 104 5009 1 . MET 105 105 5009 1 . LYS 106 106 5009 1 . PHE 107 107 5009 1 . SER 108 108 5009 1 . GLN 109 109 5009 1 . GLN 110 110 5009 1 . ARG 111 111 5009 1 . GLY 112 112 5009 1 . GLY 113 113 5009 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 5009 _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 $P13PA90 . 4896 . . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 5009 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 5009 _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 $P13PA90 . 'recombinat technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pRK172 . . . . . . 5009 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5009 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 suc1 [U-15N] . . 1 $P13PA90 . . . 1.0 2.0 mM . . . . 5009 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5009 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 suc1 '[U-13C; U-15N]' . . 1 $P13PA90 . . . 1.0 2.0 mM . . . . 5009 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5009 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 na 5009 1 temperature 293 0.5 K 5009 1 stop_ save_ ############################ # Computer software used # ############################ save_SNARF _Software.Sf_category software _Software.Sf_framecode SNARF _Software.Entry_ID 5009 _Software.ID 1 _Software.Name SNARF _Software.Version v0.8.9 _Software.Details 'Frans van Hoesel.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5009 _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_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5009 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5009 _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 NMR_spectrometer_1 Varian INOVA . 600 . . . 5009 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5009 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 5009 _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 HNCA/HNcaCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5009 1 2 HNCO/HNcaCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5009 1 3 CBCANH/CBCAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5009 1 4 CONCOCAH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5009 1 5 '15N NOESY/TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5009 1 6 '13C NOESY/ HCCH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5009 1 7 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5009 1 8 '13C HSQC aromatic' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5009 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5009 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA/HNcaCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5009 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO/HNcaCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5009 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCANH/CBCAcoNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5009 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CONCOCAH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5009 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N NOESY/TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5009 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C NOESY/ HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5009 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5009 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '13C HSQC aromatic' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5009 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5009 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5009 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5009 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5009 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5009 1 . . 2 $sample_2 . 5009 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.128 . . . . . . . . . . . 5009 1 2 . 1 1 2 2 SER HB2 H 1 4.008 . . . . . . . . . . . 5009 1 3 . 1 1 2 2 SER HB3 H 1 4.008 . . . . . . . . . . . 5009 1 4 . 1 1 2 2 SER CA C 13 57.816 . . . . . . . . . . . 5009 1 5 . 1 1 2 2 SER CB C 13 64.036 . . . . . . . . . . . 5009 1 6 . 1 1 3 3 LYS H H 1 8.075 . . . . . . . . . . . 5009 1 7 . 1 1 3 3 LYS HA H 1 4.478 . . . . . . . . . . . 5009 1 8 . 1 1 3 3 LYS HB2 H 1 1.939 . . . . . . . . . . . 5009 1 9 . 1 1 3 3 LYS HB3 H 1 1.856 . . . . . . . . . . . 5009 1 10 . 1 1 3 3 LYS HG2 H 1 1.528 . . . . . . . . . . . 5009 1 11 . 1 1 3 3 LYS HG3 H 1 1.528 . . . . . . . . . . . 5009 1 12 . 1 1 3 3 LYS HD2 H 1 1.762 . . . . . . . . . . . 5009 1 13 . 1 1 3 3 LYS HD3 H 1 1.762 . . . . . . . . . . . 5009 1 14 . 1 1 3 3 LYS HE2 H 1 3.069 . . . . . . . . . . . 5009 1 15 . 1 1 3 3 LYS HE3 H 1 3.069 . . . . . . . . . . . 5009 1 16 . 1 1 3 3 LYS C C 13 176.620 . . . . . . . . . . . 5009 1 17 . 1 1 3 3 LYS CA C 13 56.735 . . . . . . . . . . . 5009 1 18 . 1 1 3 3 LYS CB C 13 33.069 . . . . . . . . . . . 5009 1 19 . 1 1 3 3 LYS CG C 13 24.854 . . . . . . . . . . . 5009 1 20 . 1 1 3 3 LYS CD C 13 29.244 . . . . . . . . . . . 5009 1 21 . 1 1 3 3 LYS CE C 13 42.235 . . . . . . . . . . . 5009 1 22 . 1 1 3 3 LYS N N 15 122.096 . . . . . . . . . . . 5009 1 23 . 1 1 4 4 SER H H 1 8.520 . . . . . . . . . . . 5009 1 24 . 1 1 4 4 SER HA H 1 4.510 . . . . . . . . . . . 5009 1 25 . 1 1 4 4 SER HB2 H 1 3.921 . . . . . . . . . . . 5009 1 26 . 1 1 4 4 SER HB3 H 1 3.921 . . . . . . . . . . . 5009 1 27 . 1 1 4 4 SER C C 13 174.855 . . . . . . . . . . . 5009 1 28 . 1 1 4 4 SER CA C 13 58.778 . . . . . . . . . . . 5009 1 29 . 1 1 4 4 SER CB C 13 63.938 . . . . . . . . . . . 5009 1 30 . 1 1 4 4 SER N N 15 117.070 . . . . . . . . . . . 5009 1 31 . 1 1 5 5 GLY H H 1 8.390 . . . . . . . . . . . 5009 1 32 . 1 1 5 5 GLY HA2 H 1 4.008 . . . . . . . . . . . 5009 1 33 . 1 1 5 5 GLY HA3 H 1 4.008 . . . . . . . . . . . 5009 1 34 . 1 1 5 5 GLY C C 13 173.600 . . . . . . . . . . . 5009 1 35 . 1 1 5 5 GLY CA C 13 45.237 . . . . . . . . . . . 5009 1 36 . 1 1 5 5 GLY N N 15 110.710 . . . . . . . . . . . 5009 1 37 . 1 1 6 6 VAL H H 1 8.090 . . . . . . . . . . . 5009 1 38 . 1 1 6 6 VAL HA H 1 4.481 . . . . . . . . . . . 5009 1 39 . 1 1 6 6 VAL HB H 1 2.122 . . . . . . . . . . . 5009 1 40 . 1 1 6 6 VAL HG11 H 1 1.013 . . . . . . . . . . . 5009 1 41 . 1 1 6 6 VAL HG12 H 1 1.013 . . . . . . . . . . . 5009 1 42 . 1 1 6 6 VAL HG13 H 1 1.013 . . . . . . . . . . . 5009 1 43 . 1 1 6 6 VAL HG21 H 1 0.955 . . . . . . . . . . . 5009 1 44 . 1 1 6 6 VAL HG22 H 1 0.955 . . . . . . . . . . . 5009 1 45 . 1 1 6 6 VAL HG23 H 1 0.955 . . . . . . . . . . . 5009 1 46 . 1 1 6 6 VAL C C 13 174.706 . . . . . . . . . . . 5009 1 47 . 1 1 6 6 VAL CA C 13 59.843 . . . . . . . . . . . 5009 1 48 . 1 1 6 6 VAL CB C 13 32.368 . . . . . . . . . . . 5009 1 49 . 1 1 6 6 VAL CG1 C 13 21.176 . . . . . . . . . . . 5009 1 50 . 1 1 6 6 VAL CG2 C 13 20.080 . . . . . . . . . . . 5009 1 51 . 1 1 6 6 VAL N N 15 120.440 . . . . . . . . . . . 5009 1 52 . 1 1 7 7 PRO HA H 1 4.247 . . . . . . . . . . . 5009 1 53 . 1 1 7 7 PRO HB2 H 1 1.938 . . . . . . . . . . . 5009 1 54 . 1 1 7 7 PRO HB3 H 1 1.680 . . . . . . . . . . . 5009 1 55 . 1 1 7 7 PRO HG2 H 1 2.014 . . . . . . . . . . . 5009 1 56 . 1 1 7 7 PRO HG3 H 1 1.956 . . . . . . . . . . . 5009 1 57 . 1 1 7 7 PRO HD2 H 1 3.894 . . . . . . . . . . . 5009 1 58 . 1 1 7 7 PRO HD3 H 1 3.791 . . . . . . . . . . . 5009 1 59 . 1 1 7 7 PRO C C 13 174.715 . . . . . . . . . . . 5009 1 60 . 1 1 7 7 PRO CA C 13 62.862 . . . . . . . . . . . 5009 1 61 . 1 1 7 7 PRO CB C 13 33.074 . . . . . . . . . . . 5009 1 62 . 1 1 7 7 PRO CG C 13 27.160 . . . . . . . . . . . 5009 1 63 . 1 1 7 7 PRO CD C 13 50.795 . . . . . . . . . . . 5009 1 64 . 1 1 7 7 PRO N N 15 139.511 . . . . . . . . . . . 5009 1 65 . 1 1 8 8 ARG H H 1 9.830 . . . . . . . . . . . 5009 1 66 . 1 1 8 8 ARG HA H 1 4.507 . . . . . . . . . . . 5009 1 67 . 1 1 8 8 ARG HB2 H 1 2.155 . . . . . . . . . . . 5009 1 68 . 1 1 8 8 ARG HB3 H 1 1.630 . . . . . . . . . . . 5009 1 69 . 1 1 8 8 ARG HG2 H 1 1.806 . . . . . . . . . . . 5009 1 70 . 1 1 8 8 ARG HG3 H 1 1.720 . . . . . . . . . . . 5009 1 71 . 1 1 8 8 ARG HD2 H 1 3.115 . . . . . . . . . . . 5009 1 72 . 1 1 8 8 ARG HD3 H 1 2.982 . . . . . . . . . . . 5009 1 73 . 1 1 8 8 ARG C C 13 175.186 . . . . . . . . . . . 5009 1 74 . 1 1 8 8 ARG CA C 13 55.708 . . . . . . . . . . . 5009 1 75 . 1 1 8 8 ARG CB C 13 30.568 . . . . . . . . . . . 5009 1 76 . 1 1 8 8 ARG CG C 13 28.170 . . . . . . . . . . . 5009 1 77 . 1 1 8 8 ARG CD C 13 42.333 . . . . . . . . . . . 5009 1 78 . 1 1 8 8 ARG N N 15 127.330 . . . . . . . . . . . 5009 1 79 . 1 1 9 9 LEU H H 1 8.620 . . . . . . . . . . . 5009 1 80 . 1 1 9 9 LEU HA H 1 4.582 . . . . . . . . . . . 5009 1 81 . 1 1 9 9 LEU HB2 H 1 1.674 . . . . . . . . . . . 5009 1 82 . 1 1 9 9 LEU HB3 H 1 1.591 . . . . . . . . . . . 5009 1 83 . 1 1 9 9 LEU HG H 1 1.674 . . . . . . . . . . . 5009 1 84 . 1 1 9 9 LEU HD11 H 1 0.957 . . . . . . . . . . . 5009 1 85 . 1 1 9 9 LEU HD12 H 1 0.957 . . . . . . . . . . . 5009 1 86 . 1 1 9 9 LEU HD13 H 1 0.957 . . . . . . . . . . . 5009 1 87 . 1 1 9 9 LEU HD21 H 1 0.779 . . . . . . . . . . . 5009 1 88 . 1 1 9 9 LEU HD22 H 1 0.779 . . . . . . . . . . . 5009 1 89 . 1 1 9 9 LEU HD23 H 1 0.779 . . . . . . . . . . . 5009 1 90 . 1 1 9 9 LEU C C 13 177.786 . . . . . . . . . . . 5009 1 91 . 1 1 9 9 LEU CA C 13 54.022 . . . . . . . . . . . 5009 1 92 . 1 1 9 9 LEU CB C 13 41.719 . . . . . . . . . . . 5009 1 93 . 1 1 9 9 LEU CG C 13 27.364 . . . . . . . . . . . 5009 1 94 . 1 1 9 9 LEU CD1 C 13 25.215 . . . . . . . . . . . 5009 1 95 . 1 1 9 9 LEU CD2 C 13 22.664 . . . . . . . . . . . 5009 1 96 . 1 1 9 9 LEU N N 15 126.990 . . . . . . . . . . . 5009 1 97 . 1 1 10 10 LEU H H 1 8.680 . . . . . . . . . . . 5009 1 98 . 1 1 10 10 LEU HA H 1 4.569 . . . . . . . . . . . 5009 1 99 . 1 1 10 10 LEU HB2 H 1 1.748 . . . . . . . . . . . 5009 1 100 . 1 1 10 10 LEU HB3 H 1 1.619 . . . . . . . . . . . 5009 1 101 . 1 1 10 10 LEU HG H 1 2.000 . . . . . . . . . . . 5009 1 102 . 1 1 10 10 LEU HD11 H 1 0.808 . . . . . . . . . . . 5009 1 103 . 1 1 10 10 LEU HD12 H 1 0.808 . . . . . . . . . . . 5009 1 104 . 1 1 10 10 LEU HD13 H 1 0.808 . . . . . . . . . . . 5009 1 105 . 1 1 10 10 LEU HD21 H 1 0.673 . . . . . . . . . . . 5009 1 106 . 1 1 10 10 LEU HD22 H 1 0.673 . . . . . . . . . . . 5009 1 107 . 1 1 10 10 LEU HD23 H 1 0.673 . . . . . . . . . . . 5009 1 108 . 1 1 10 10 LEU C C 13 179.401 . . . . . . . . . . . 5009 1 109 . 1 1 10 10 LEU CA C 13 54.821 . . . . . . . . . . . 5009 1 110 . 1 1 10 10 LEU CB C 13 42.971 . . . . . . . . . . . 5009 1 111 . 1 1 10 10 LEU CG C 13 26.881 . . . . . . . . . . . 5009 1 112 . 1 1 10 10 LEU CD1 C 13 27.320 . . . . . . . . . . . 5009 1 113 . 1 1 10 10 LEU CD2 C 13 24.010 . . . . . . . . . . . 5009 1 114 . 1 1 10 10 LEU N N 15 122.300 . . . . . . . . . . . 5009 1 115 . 1 1 11 11 THR H H 1 9.520 . . . . . . . . . . . 5009 1 116 . 1 1 11 11 THR HA H 1 4.493 . . . . . . . . . . . 5009 1 117 . 1 1 11 11 THR HB H 1 4.789 . . . . . . . . . . . 5009 1 118 . 1 1 11 11 THR HG21 H 1 1.366 . . . . . . . . . . . 5009 1 119 . 1 1 11 11 THR HG22 H 1 1.366 . . . . . . . . . . . 5009 1 120 . 1 1 11 11 THR HG23 H 1 1.366 . . . . . . . . . . . 5009 1 121 . 1 1 11 11 THR C C 13 175.456 . . . . . . . . . . . 5009 1 122 . 1 1 11 11 THR CA C 13 60.843 . . . . . . . . . . . 5009 1 123 . 1 1 11 11 THR CB C 13 71.112 . . . . . . . . . . . 5009 1 124 . 1 1 11 11 THR CG2 C 13 21.720 . . . . . . . . . . . 5009 1 125 . 1 1 11 11 THR N N 15 114.760 . . . . . . . . . . . 5009 1 126 . 1 1 12 12 ALA H H 1 9.000 . . . . . . . . . . . 5009 1 127 . 1 1 12 12 ALA HA H 1 4.127 . . . . . . . . . . . 5009 1 128 . 1 1 12 12 ALA HB1 H 1 1.543 . . . . . . . . . . . 5009 1 129 . 1 1 12 12 ALA HB2 H 1 1.543 . . . . . . . . . . . 5009 1 130 . 1 1 12 12 ALA HB3 H 1 1.543 . . . . . . . . . . . 5009 1 131 . 1 1 12 12 ALA C C 13 180.906 . . . . . . . . . . . 5009 1 132 . 1 1 12 12 ALA CA C 13 55.795 . . . . . . . . . . . 5009 1 133 . 1 1 12 12 ALA CB C 13 17.871 . . . . . . . . . . . 5009 1 134 . 1 1 12 12 ALA N N 15 122.980 . . . . . . . . . . . 5009 1 135 . 1 1 13 13 SER H H 1 8.530 . . . . . . . . . . . 5009 1 136 . 1 1 13 13 SER HA H 1 4.302 . . . . . . . . . . . 5009 1 137 . 1 1 13 13 SER HB2 H 1 3.921 . . . . . . . . . . . 5009 1 138 . 1 1 13 13 SER HB3 H 1 3.921 . . . . . . . . . . . 5009 1 139 . 1 1 13 13 SER C C 13 177.646 . . . . . . . . . . . 5009 1 140 . 1 1 13 13 SER CA C 13 61.242 . . . . . . . . . . . 5009 1 141 . 1 1 13 13 SER CB C 13 62.471 . . . . . . . . . . . 5009 1 142 . 1 1 13 13 SER N N 15 112.700 . . . . . . . . . . . 5009 1 143 . 1 1 14 14 GLU H H 1 7.630 . . . . . . . . . . . 5009 1 144 . 1 1 14 14 GLU HA H 1 3.980 . . . . . . . . . . . 5009 1 145 . 1 1 14 14 GLU HB2 H 1 2.482 . . . . . . . . . . . 5009 1 146 . 1 1 14 14 GLU HB3 H 1 1.913 . . . . . . . . . . . 5009 1 147 . 1 1 14 14 GLU HG2 H 1 2.300 . . . . . . . . . . . 5009 1 148 . 1 1 14 14 GLU HG3 H 1 2.300 . . . . . . . . . . . 5009 1 149 . 1 1 14 14 GLU C C 13 179.945 . . . . . . . . . . . 5009 1 150 . 1 1 14 14 GLU CA C 13 59.147 . . . . . . . . . . . 5009 1 151 . 1 1 14 14 GLU CB C 13 30.673 . . . . . . . . . . . 5009 1 152 . 1 1 14 14 GLU CG C 13 36.755 . . . . . . . . . . . 5009 1 153 . 1 1 14 14 GLU N N 15 122.390 . . . . . . . . . . . 5009 1 154 . 1 1 15 15 ARG H H 1 8.640 . . . . . . . . . . . 5009 1 155 . 1 1 15 15 ARG HA H 1 4.009 . . . . . . . . . . . 5009 1 156 . 1 1 15 15 ARG HB2 H 1 2.074 . . . . . . . . . . . 5009 1 157 . 1 1 15 15 ARG HB3 H 1 1.934 . . . . . . . . . . . 5009 1 158 . 1 1 15 15 ARG HG2 H 1 1.789 . . . . . . . . . . . 5009 1 159 . 1 1 15 15 ARG HG3 H 1 1.789 . . . . . . . . . . . 5009 1 160 . 1 1 15 15 ARG HD2 H 1 3.336 . . . . . . . . . . . 5009 1 161 . 1 1 15 15 ARG HD3 H 1 3.336 . . . . . . . . . . . 5009 1 162 . 1 1 15 15 ARG C C 13 179.441 . . . . . . . . . . . 5009 1 163 . 1 1 15 15 ARG CA C 13 59.606 . . . . . . . . . . . 5009 1 164 . 1 1 15 15 ARG CB C 13 29.677 . . . . . . . . . . . 5009 1 165 . 1 1 15 15 ARG CG C 13 28.164 . . . . . . . . . . . 5009 1 166 . 1 1 15 15 ARG CD C 13 42.919 . . . . . . . . . . . 5009 1 167 . 1 1 15 15 ARG N N 15 118.970 . . . . . . . . . . . 5009 1 168 . 1 1 16 16 GLU H H 1 8.220 . . . . . . . . . . . 5009 1 169 . 1 1 16 16 GLU HA H 1 4.157 . . . . . . . . . . . 5009 1 170 . 1 1 16 16 GLU HB2 H 1 2.262 . . . . . . . . . . . 5009 1 171 . 1 1 16 16 GLU HB3 H 1 2.159 . . . . . . . . . . . 5009 1 172 . 1 1 16 16 GLU HG2 H 1 2.494 . . . . . . . . . . . 5009 1 173 . 1 1 16 16 GLU HG3 H 1 2.319 . . . . . . . . . . . 5009 1 174 . 1 1 16 16 GLU C C 13 179.115 . . . . . . . . . . . 5009 1 175 . 1 1 16 16 GLU CA C 13 59.703 . . . . . . . . . . . 5009 1 176 . 1 1 16 16 GLU CB C 13 29.682 . . . . . . . . . . . 5009 1 177 . 1 1 16 16 GLU CG C 13 36.490 . . . . . . . . . . . 5009 1 178 . 1 1 16 16 GLU N N 15 119.890 . . . . . . . . . . . 5009 1 179 . 1 1 17 17 ARG H H 1 7.320 . . . . . . . . . . . 5009 1 180 . 1 1 17 17 ARG HA H 1 4.244 . . . . . . . . . . . 5009 1 181 . 1 1 17 17 ARG HB2 H 1 2.115 . . . . . . . . . . . 5009 1 182 . 1 1 17 17 ARG HB3 H 1 2.115 . . . . . . . . . . . 5009 1 183 . 1 1 17 17 ARG HG2 H 1 1.995 . . . . . . . . . . . 5009 1 184 . 1 1 17 17 ARG HG3 H 1 1.894 . . . . . . . . . . . 5009 1 185 . 1 1 17 17 ARG HD2 H 1 3.418 . . . . . . . . . . . 5009 1 186 . 1 1 17 17 ARG HD3 H 1 3.364 . . . . . . . . . . . 5009 1 187 . 1 1 17 17 ARG C C 13 176.891 . . . . . . . . . . . 5009 1 188 . 1 1 17 17 ARG CA C 13 58.019 . . . . . . . . . . . 5009 1 189 . 1 1 17 17 ARG CB C 13 30.875 . . . . . . . . . . . 5009 1 190 . 1 1 17 17 ARG CG C 13 27.837 . . . . . . . . . . . 5009 1 191 . 1 1 17 17 ARG CD C 13 43.880 . . . . . . . . . . . 5009 1 192 . 1 1 17 17 ARG N N 15 115.790 . . . . . . . . . . . 5009 1 193 . 1 1 18 18 LEU H H 1 7.440 . . . . . . . . . . . 5009 1 194 . 1 1 18 18 LEU HA H 1 4.744 . . . . . . . . . . . 5009 1 195 . 1 1 18 18 LEU HB2 H 1 2.046 . . . . . . . . . . . 5009 1 196 . 1 1 18 18 LEU HB3 H 1 1.721 . . . . . . . . . . . 5009 1 197 . 1 1 18 18 LEU HG H 1 2.002 . . . . . . . . . . . 5009 1 198 . 1 1 18 18 LEU HD11 H 1 0.985 . . . . . . . . . . . 5009 1 199 . 1 1 18 18 LEU HD12 H 1 0.985 . . . . . . . . . . . 5009 1 200 . 1 1 18 18 LEU HD13 H 1 0.985 . . . . . . . . . . . 5009 1 201 . 1 1 18 18 LEU HD21 H 1 0.911 . . . . . . . . . . . 5009 1 202 . 1 1 18 18 LEU HD22 H 1 0.911 . . . . . . . . . . . 5009 1 203 . 1 1 18 18 LEU HD23 H 1 0.911 . . . . . . . . . . . 5009 1 204 . 1 1 18 18 LEU C C 13 177.576 . . . . . . . . . . . 5009 1 205 . 1 1 18 18 LEU CA C 13 55.168 . . . . . . . . . . . 5009 1 206 . 1 1 18 18 LEU CB C 13 42.508 . . . . . . . . . . . 5009 1 207 . 1 1 18 18 LEU CG C 13 26.988 . . . . . . . . . . . 5009 1 208 . 1 1 18 18 LEU CD1 C 13 27.472 . . . . . . . . . . . 5009 1 209 . 1 1 18 18 LEU CD2 C 13 24.923 . . . . . . . . . . . 5009 1 210 . 1 1 18 18 LEU N N 15 114.760 . . . . . . . . . . . 5009 1 211 . 1 1 19 19 GLU H H 1 7.620 . . . . . . . . . . . 5009 1 212 . 1 1 19 19 GLU HA H 1 4.186 . . . . . . . . . . . 5009 1 213 . 1 1 19 19 GLU HB2 H 1 2.170 . . . . . . . . . . . 5009 1 214 . 1 1 19 19 GLU HB3 H 1 2.248 . . . . . . . . . . . 5009 1 215 . 1 1 19 19 GLU HG2 H 1 2.406 . . . . . . . . . . . 5009 1 216 . 1 1 19 19 GLU HG3 H 1 2.538 . . . . . . . . . . . 5009 1 217 . 1 1 19 19 GLU C C 13 174.961 . . . . . . . . . . . 5009 1 218 . 1 1 19 19 GLU CA C 13 60.846 . . . . . . . . . . . 5009 1 219 . 1 1 19 19 GLU CB C 13 27.817 . . . . . . . . . . . 5009 1 220 . 1 1 19 19 GLU CG C 13 36.320 . . . . . . . . . . . 5009 1 221 . 1 1 19 19 GLU N N 15 120.340 . . . . . . . . . . . 5009 1 222 . 1 1 20 20 PRO HA H 1 4.332 . . . . . . . . . . . 5009 1 223 . 1 1 20 20 PRO HB2 H 1 2.121 . . . . . . . . . . . 5009 1 224 . 1 1 20 20 PRO HB3 H 1 0.747 . . . . . . . . . . . 5009 1 225 . 1 1 20 20 PRO HG2 H 1 1.809 . . . . . . . . . . . 5009 1 226 . 1 1 20 20 PRO HG3 H 1 1.631 . . . . . . . . . . . 5009 1 227 . 1 1 20 20 PRO HD2 H 1 3.743 . . . . . . . . . . . 5009 1 228 . 1 1 20 20 PRO HD3 H 1 3.289 . . . . . . . . . . . 5009 1 229 . 1 1 20 20 PRO C C 13 176.891 . . . . . . . . . . . 5009 1 230 . 1 1 20 20 PRO CA C 13 65.153 . . . . . . . . . . . 5009 1 231 . 1 1 20 20 PRO CB C 13 31.433 . . . . . . . . . . . 5009 1 232 . 1 1 20 20 PRO CG C 13 27.902 . . . . . . . . . . . 5009 1 233 . 1 1 20 20 PRO CD C 13 50.837 . . . . . . . . . . . 5009 1 234 . 1 1 20 20 PRO N N 15 132.931 . . . . . . . . . . . 5009 1 235 . 1 1 21 21 PHE H H 1 7.770 . . . . . . . . . . . 5009 1 236 . 1 1 21 21 PHE HA H 1 4.625 . . . . . . . . . . . 5009 1 237 . 1 1 21 21 PHE HB2 H 1 3.473 . . . . . . . . . . . 5009 1 238 . 1 1 21 21 PHE HB3 H 1 3.105 . . . . . . . . . . . 5009 1 239 . 1 1 21 21 PHE HD1 H 1 7.363 . . . . . . . . . . . 5009 1 240 . 1 1 21 21 PHE HD2 H 1 7.363 . . . . . . . . . . . 5009 1 241 . 1 1 21 21 PHE HE1 H 1 7.363 . . . . . . . . . . . 5009 1 242 . 1 1 21 21 PHE HE2 H 1 7.363 . . . . . . . . . . . 5009 1 243 . 1 1 21 21 PHE HZ H 1 7.258 . . . . . . . . . . . 5009 1 244 . 1 1 21 21 PHE C C 13 177.526 . . . . . . . . . . . 5009 1 245 . 1 1 21 21 PHE CA C 13 58.583 . . . . . . . . . . . 5009 1 246 . 1 1 21 21 PHE CB C 13 41.240 . . . . . . . . . . . 5009 1 247 . 1 1 21 21 PHE CD1 C 13 131.908 . . . . . . . . . . . 5009 1 248 . 1 1 21 21 PHE CD2 C 13 131.908 . . . . . . . . . . . 5009 1 249 . 1 1 21 21 PHE CE1 C 13 130.975 . . . . . . . . . . . 5009 1 250 . 1 1 21 21 PHE CE2 C 13 130.975 . . . . . . . . . . . 5009 1 251 . 1 1 21 21 PHE CZ C 13 129.421 . . . . . . . . . . . 5009 1 252 . 1 1 21 21 PHE N N 15 111.900 . . . . . . . . . . . 5009 1 253 . 1 1 22 22 ILE H H 1 7.390 . . . . . . . . . . . 5009 1 254 . 1 1 22 22 ILE HA H 1 3.757 . . . . . . . . . . . 5009 1 255 . 1 1 22 22 ILE HB H 1 2.042 . . . . . . . . . . . 5009 1 256 . 1 1 22 22 ILE HG12 H 1 1.895 . . . . . . . . . . . 5009 1 257 . 1 1 22 22 ILE HG13 H 1 1.538 . . . . . . . . . . . 5009 1 258 . 1 1 22 22 ILE HG21 H 1 1.131 . . . . . . . . . . . 5009 1 259 . 1 1 22 22 ILE HG22 H 1 1.131 . . . . . . . . . . . 5009 1 260 . 1 1 22 22 ILE HG23 H 1 1.131 . . . . . . . . . . . 5009 1 261 . 1 1 22 22 ILE HD11 H 1 0.984 . . . . . . . . . . . 5009 1 262 . 1 1 22 22 ILE HD12 H 1 0.984 . . . . . . . . . . . 5009 1 263 . 1 1 22 22 ILE HD13 H 1 0.984 . . . . . . . . . . . 5009 1 264 . 1 1 22 22 ILE C C 13 178.266 . . . . . . . . . . . 5009 1 265 . 1 1 22 22 ILE CA C 13 65.971 . . . . . . . . . . . 5009 1 266 . 1 1 22 22 ILE CB C 13 37.787 . . . . . . . . . . . 5009 1 267 . 1 1 22 22 ILE CG1 C 13 28.910 . . . . . . . . . . . 5009 1 268 . 1 1 22 22 ILE CG2 C 13 17.265 . . . . . . . . . . . 5009 1 269 . 1 1 22 22 ILE CD1 C 13 13.077 . . . . . . . . . . . 5009 1 270 . 1 1 22 22 ILE N N 15 117.710 . . . . . . . . . . . 5009 1 271 . 1 1 23 23 ASP H H 1 8.720 . . . . . . . . . . . 5009 1 272 . 1 1 23 23 ASP HA H 1 4.718 . . . . . . . . . . . 5009 1 273 . 1 1 23 23 ASP HB2 H 1 2.806 . . . . . . . . . . . 5009 1 274 . 1 1 23 23 ASP HB3 H 1 2.806 . . . . . . . . . . . 5009 1 275 . 1 1 23 23 ASP C C 13 176.656 . . . . . . . . . . . 5009 1 276 . 1 1 23 23 ASP CA C 13 55.708 . . . . . . . . . . . 5009 1 277 . 1 1 23 23 ASP CB C 13 40.292 . . . . . . . . . . . 5009 1 278 . 1 1 23 23 ASP N N 15 117.740 . . . . . . . . . . . 5009 1 279 . 1 1 24 24 GLN H H 1 7.890 . . . . . . . . . . . 5009 1 280 . 1 1 24 24 GLN HA H 1 4.485 . . . . . . . . . . . 5009 1 281 . 1 1 24 24 GLN HB2 H 1 2.599 . . . . . . . . . . . 5009 1 282 . 1 1 24 24 GLN HB3 H 1 2.217 . . . . . . . . . . . 5009 1 283 . 1 1 24 24 GLN HG2 H 1 2.482 . . . . . . . . . . . 5009 1 284 . 1 1 24 24 GLN HG3 H 1 2.482 . . . . . . . . . . . 5009 1 285 . 1 1 24 24 GLN HE21 H 1 7.657 . . . . . . . . . . . 5009 1 286 . 1 1 24 24 GLN HE22 H 1 6.859 . . . . . . . . . . . 5009 1 287 . 1 1 24 24 GLN C C 13 175.891 . . . . . . . . . . . 5009 1 288 . 1 1 24 24 GLN CA C 13 55.378 . . . . . . . . . . . 5009 1 289 . 1 1 24 24 GLN CB C 13 30.158 . . . . . . . . . . . 5009 1 290 . 1 1 24 24 GLN CG C 13 34.209 . . . . . . . . . . . 5009 1 291 . 1 1 24 24 GLN N N 15 116.030 . . . . . . . . . . . 5009 1 292 . 1 1 24 24 GLN NE2 N 15 112.528 . . . . . . . . . . . 5009 1 293 . 1 1 25 25 ILE H H 1 7.350 . . . . . . . . . . . 5009 1 294 . 1 1 25 25 ILE HA H 1 3.950 . . . . . . . . . . . 5009 1 295 . 1 1 25 25 ILE HB H 1 1.837 . . . . . . . . . . . 5009 1 296 . 1 1 25 25 ILE HG12 H 1 2.188 . . . . . . . . . . . 5009 1 297 . 1 1 25 25 ILE HG13 H 1 0.890 . . . . . . . . . . . 5009 1 298 . 1 1 25 25 ILE HG21 H 1 0.407 . . . . . . . . . . . 5009 1 299 . 1 1 25 25 ILE HG22 H 1 0.407 . . . . . . . . . . . 5009 1 300 . 1 1 25 25 ILE HG23 H 1 0.407 . . . . . . . . . . . 5009 1 301 . 1 1 25 25 ILE HD11 H 1 0.888 . . . . . . . . . . . 5009 1 302 . 1 1 25 25 ILE HD12 H 1 0.888 . . . . . . . . . . . 5009 1 303 . 1 1 25 25 ILE HD13 H 1 0.888 . . . . . . . . . . . 5009 1 304 . 1 1 25 25 ILE C C 13 175.046 . . . . . . . . . . . 5009 1 305 . 1 1 25 25 ILE CA C 13 64.163 . . . . . . . . . . . 5009 1 306 . 1 1 25 25 ILE CB C 13 38.462 . . . . . . . . . . . 5009 1 307 . 1 1 25 25 ILE CG1 C 13 29.160 . . . . . . . . . . . 5009 1 308 . 1 1 25 25 ILE CG2 C 13 17.630 . . . . . . . . . . . 5009 1 309 . 1 1 25 25 ILE CD1 C 13 14.022 . . . . . . . . . . . 5009 1 310 . 1 1 25 25 ILE N N 15 122.070 . . . . . . . . . . . 5009 1 311 . 1 1 26 26 HIS H H 1 8.380 . . . . . . . . . . . 5009 1 312 . 1 1 26 26 HIS HA H 1 5.110 . . . . . . . . . . . 5009 1 313 . 1 1 26 26 HIS HB2 H 1 3.248 . . . . . . . . . . . 5009 1 314 . 1 1 26 26 HIS HB3 H 1 3.122 . . . . . . . . . . . 5009 1 315 . 1 1 26 26 HIS HD2 H 1 7.121 . . . . . . . . . . . 5009 1 316 . 1 1 26 26 HIS HE1 H 1 7.982 . . . . . . . . . . . 5009 1 317 . 1 1 26 26 HIS C C 13 172.721 . . . . . . . . . . . 5009 1 318 . 1 1 26 26 HIS CA C 13 54.585 . . . . . . . . . . . 5009 1 319 . 1 1 26 26 HIS CB C 13 32.846 . . . . . . . . . . . 5009 1 320 . 1 1 26 26 HIS CD2 C 13 118.538 . . . . . . . . . . . 5009 1 321 . 1 1 26 26 HIS N N 15 125.730 . . . . . . . . . . . 5009 1 322 . 1 1 27 27 TYR H H 1 8.650 . . . . . . . . . . . 5009 1 323 . 1 1 27 27 TYR HA H 1 4.631 . . . . . . . . . . . 5009 1 324 . 1 1 27 27 TYR HB2 H 1 2.747 . . . . . . . . . . . 5009 1 325 . 1 1 27 27 TYR HB3 H 1 2.535 . . . . . . . . . . . 5009 1 326 . 1 1 27 27 TYR HD1 H 1 6.763 . . . . . . . . . . . 5009 1 327 . 1 1 27 27 TYR HD2 H 1 6.763 . . . . . . . . . . . 5009 1 328 . 1 1 27 27 TYR HE1 H 1 6.451 . . . . . . . . . . . 5009 1 329 . 1 1 27 27 TYR HE2 H 1 6.451 . . . . . . . . . . . 5009 1 330 . 1 1 27 27 TYR C C 13 175.616 . . . . . . . . . . . 5009 1 331 . 1 1 27 27 TYR CA C 13 56.720 . . . . . . . . . . . 5009 1 332 . 1 1 27 27 TYR CB C 13 40.070 . . . . . . . . . . . 5009 1 333 . 1 1 27 27 TYR CD1 C 13 133.152 . . . . . . . . . . . 5009 1 334 . 1 1 27 27 TYR CD2 C 13 133.152 . . . . . . . . . . . 5009 1 335 . 1 1 27 27 TYR CE1 C 13 117.606 . . . . . . . . . . . 5009 1 336 . 1 1 27 27 TYR CE2 C 13 117.606 . . . . . . . . . . . 5009 1 337 . 1 1 27 27 TYR N N 15 122.980 . . . . . . . . . . . 5009 1 338 . 1 1 28 28 SER H H 1 8.850 . . . . . . . . . . . 5009 1 339 . 1 1 28 28 SER HA H 1 4.741 . . . . . . . . . . . 5009 1 340 . 1 1 28 28 SER HB2 H 1 4.341 . . . . . . . . . . . 5009 1 341 . 1 1 28 28 SER HB3 H 1 3.539 . . . . . . . . . . . 5009 1 342 . 1 1 28 28 SER C C 13 171.856 . . . . . . . . . . . 5009 1 343 . 1 1 28 28 SER CA C 13 57.969 . . . . . . . . . . . 5009 1 344 . 1 1 28 28 SER CB C 13 62.686 . . . . . . . . . . . 5009 1 345 . 1 1 28 28 SER N N 15 121.190 . . . . . . . . . . . 5009 1 346 . 1 1 29 29 PRO HA H 1 4.728 . . . . . . . . . . . 5009 1 347 . 1 1 29 29 PRO HB2 H 1 2.544 . . . . . . . . . . . 5009 1 348 . 1 1 29 29 PRO HB3 H 1 1.924 . . . . . . . . . . . 5009 1 349 . 1 1 29 29 PRO HG2 H 1 2.188 . . . . . . . . . . . 5009 1 350 . 1 1 29 29 PRO HG3 H 1 2.129 . . . . . . . . . . . 5009 1 351 . 1 1 29 29 PRO HD2 H 1 4.006 . . . . . . . . . . . 5009 1 352 . 1 1 29 29 PRO HD3 H 1 3.767 . . . . . . . . . . . 5009 1 353 . 1 1 29 29 PRO C C 13 177.050 . . . . . . . . . . . 5009 1 354 . 1 1 29 29 PRO CA C 13 63.129 . . . . . . . . . . . 5009 1 355 . 1 1 29 29 PRO CB C 13 32.318 . . . . . . . . . . . 5009 1 356 . 1 1 29 29 PRO CG C 13 27.856 . . . . . . . . . . . 5009 1 357 . 1 1 29 29 PRO CD C 13 50.645 . . . . . . . . . . . 5009 1 358 . 1 1 29 29 PRO N N 15 134.483 . . . . . . . . . . . 5009 1 359 . 1 1 30 30 ARG H H 1 8.740 . . . . . . . . . . . 5009 1 360 . 1 1 30 30 ARG HA H 1 5.213 . . . . . . . . . . . 5009 1 361 . 1 1 30 30 ARG HB2 H 1 1.982 . . . . . . . . . . . 5009 1 362 . 1 1 30 30 ARG HB3 H 1 1.982 . . . . . . . . . . . 5009 1 363 . 1 1 30 30 ARG HG2 H 1 1.889 . . . . . . . . . . . 5009 1 364 . 1 1 30 30 ARG HG3 H 1 1.836 . . . . . . . . . . . 5009 1 365 . 1 1 30 30 ARG HD2 H 1 3.346 . . . . . . . . . . . 5009 1 366 . 1 1 30 30 ARG HD3 H 1 3.346 . . . . . . . . . . . 5009 1 367 . 1 1 30 30 ARG C C 13 176.425 . . . . . . . . . . . 5009 1 368 . 1 1 30 30 ARG CA C 13 55.920 . . . . . . . . . . . 5009 1 369 . 1 1 30 30 ARG CB C 13 32.301 . . . . . . . . . . . 5009 1 370 . 1 1 30 30 ARG CG C 13 27.261 . . . . . . . . . . . 5009 1 371 . 1 1 30 30 ARG CD C 13 44.287 . . . . . . . . . . . 5009 1 372 . 1 1 30 30 ARG N N 15 122.650 . . . . . . . . . . . 5009 1 373 . 1 1 31 31 TYR H H 1 8.930 . . . . . . . . . . . 5009 1 374 . 1 1 31 31 TYR HA H 1 5.108 . . . . . . . . . . . 5009 1 375 . 1 1 31 31 TYR HB2 H 1 3.187 . . . . . . . . . . . 5009 1 376 . 1 1 31 31 TYR HB3 H 1 3.187 . . . . . . . . . . . 5009 1 377 . 1 1 31 31 TYR HD1 H 1 7.063 . . . . . . . . . . . 5009 1 378 . 1 1 31 31 TYR HD2 H 1 7.063 . . . . . . . . . . . 5009 1 379 . 1 1 31 31 TYR HE1 H 1 6.489 . . . . . . . . . . . 5009 1 380 . 1 1 31 31 TYR HE2 H 1 6.489 . . . . . . . . . . . 5009 1 381 . 1 1 31 31 TYR C C 13 173.210 . . . . . . . . . . . 5009 1 382 . 1 1 31 31 TYR CA C 13 56.845 . . . . . . . . . . . 5009 1 383 . 1 1 31 31 TYR CB C 13 40.157 . . . . . . . . . . . 5009 1 384 . 1 1 31 31 TYR CD1 C 13 134.085 . . . . . . . . . . . 5009 1 385 . 1 1 31 31 TYR CD2 C 13 134.085 . . . . . . . . . . . 5009 1 386 . 1 1 31 31 TYR CE1 C 13 117.917 . . . . . . . . . . . 5009 1 387 . 1 1 31 31 TYR CE2 C 13 117.917 . . . . . . . . . . . 5009 1 388 . 1 1 31 31 TYR N N 15 120.670 . . . . . . . . . . . 5009 1 389 . 1 1 32 32 ALA H H 1 8.770 . . . . . . . . . . . 5009 1 390 . 1 1 32 32 ALA HA H 1 5.653 . . . . . . . . . . . 5009 1 391 . 1 1 32 32 ALA HB1 H 1 1.601 . . . . . . . . . . . 5009 1 392 . 1 1 32 32 ALA HB2 H 1 1.601 . . . . . . . . . . . 5009 1 393 . 1 1 32 32 ALA HB3 H 1 1.601 . . . . . . . . . . . 5009 1 394 . 1 1 32 32 ALA C C 13 177.820 . . . . . . . . . . . 5009 1 395 . 1 1 32 32 ALA CA C 13 52.290 . . . . . . . . . . . 5009 1 396 . 1 1 32 32 ALA CB C 13 23.580 . . . . . . . . . . . 5009 1 397 . 1 1 32 32 ALA N N 15 121.380 . . . . . . . . . . . 5009 1 398 . 1 1 33 33 ASP H H 1 9.000 . . . . . . . . . . . 5009 1 399 . 1 1 33 33 ASP HA H 1 5.008 . . . . . . . . . . . 5009 1 400 . 1 1 33 33 ASP HB2 H 1 3.560 . . . . . . . . . . . 5009 1 401 . 1 1 33 33 ASP HB3 H 1 2.980 . . . . . . . . . . . 5009 1 402 . 1 1 33 33 ASP C C 13 175.925 . . . . . . . . . . . 5009 1 403 . 1 1 33 33 ASP CA C 13 52.961 . . . . . . . . . . . 5009 1 404 . 1 1 33 33 ASP CB C 13 41.846 . . . . . . . . . . . 5009 1 405 . 1 1 33 33 ASP N N 15 122.490 . . . . . . . . . . . 5009 1 406 . 1 1 34 34 ASP H H 1 8.460 . . . . . . . . . . . 5009 1 407 . 1 1 34 34 ASP HA H 1 4.525 . . . . . . . . . . . 5009 1 408 . 1 1 34 34 ASP HB2 H 1 2.817 . . . . . . . . . . . 5009 1 409 . 1 1 34 34 ASP HB3 H 1 2.746 . . . . . . . . . . . 5009 1 410 . 1 1 34 34 ASP C C 13 176.501 . . . . . . . . . . . 5009 1 411 . 1 1 34 34 ASP CA C 13 56.880 . . . . . . . . . . . 5009 1 412 . 1 1 34 34 ASP CB C 13 40.890 . . . . . . . . . . . 5009 1 413 . 1 1 34 34 ASP N N 15 115.760 . . . . . . . . . . . 5009 1 414 . 1 1 35 35 GLU H H 1 8.670 . . . . . . . . . . . 5009 1 415 . 1 1 35 35 GLU HA H 1 4.349 . . . . . . . . . . . 5009 1 416 . 1 1 35 35 GLU HB2 H 1 1.865 . . . . . . . . . . . 5009 1 417 . 1 1 35 35 GLU HB3 H 1 1.663 . . . . . . . . . . . 5009 1 418 . 1 1 35 35 GLU HG2 H 1 2.069 . . . . . . . . . . . 5009 1 419 . 1 1 35 35 GLU HG3 H 1 1.923 . . . . . . . . . . . 5009 1 420 . 1 1 35 35 GLU C C 13 175.506 . . . . . . . . . . . 5009 1 421 . 1 1 35 35 GLU CA C 13 57.916 . . . . . . . . . . . 5009 1 422 . 1 1 35 35 GLU CB C 13 34.025 . . . . . . . . . . . 5009 1 423 . 1 1 35 35 GLU CG C 13 36.905 . . . . . . . . . . . 5009 1 424 . 1 1 35 35 GLU N N 15 117.990 . . . . . . . . . . . 5009 1 425 . 1 1 36 36 TYR H H 1 9.180 . . . . . . . . . . . 5009 1 426 . 1 1 36 36 TYR HA H 1 4.860 . . . . . . . . . . . 5009 1 427 . 1 1 36 36 TYR HB2 H 1 2.392 . . . . . . . . . . . 5009 1 428 . 1 1 36 36 TYR HB3 H 1 2.304 . . . . . . . . . . . 5009 1 429 . 1 1 36 36 TYR HD1 H 1 6.933 . . . . . . . . . . . 5009 1 430 . 1 1 36 36 TYR HD2 H 1 6.933 . . . . . . . . . . . 5009 1 431 . 1 1 36 36 TYR HE1 H 1 6.763 . . . . . . . . . . . 5009 1 432 . 1 1 36 36 TYR HE2 H 1 6.763 . . . . . . . . . . . 5009 1 433 . 1 1 36 36 TYR C C 13 174.126 . . . . . . . . . . . 5009 1 434 . 1 1 36 36 TYR CA C 13 57.993 . . . . . . . . . . . 5009 1 435 . 1 1 36 36 TYR CB C 13 42.043 . . . . . . . . . . . 5009 1 436 . 1 1 36 36 TYR CD1 C 13 133.463 . . . . . . . . . . . 5009 1 437 . 1 1 36 36 TYR CD2 C 13 133.463 . . . . . . . . . . . 5009 1 438 . 1 1 36 36 TYR CE1 C 13 117.917 . . . . . . . . . . . 5009 1 439 . 1 1 36 36 TYR CE2 C 13 117.917 . . . . . . . . . . . 5009 1 440 . 1 1 36 36 TYR N N 15 120.030 . . . . . . . . . . . 5009 1 441 . 1 1 37 37 GLU H H 1 8.680 . . . . . . . . . . . 5009 1 442 . 1 1 37 37 GLU HA H 1 5.109 . . . . . . . . . . . 5009 1 443 . 1 1 37 37 GLU HB2 H 1 1.954 . . . . . . . . . . . 5009 1 444 . 1 1 37 37 GLU HB3 H 1 1.836 . . . . . . . . . . . 5009 1 445 . 1 1 37 37 GLU HG2 H 1 2.130 . . . . . . . . . . . 5009 1 446 . 1 1 37 37 GLU HG3 H 1 2.070 . . . . . . . . . . . 5009 1 447 . 1 1 37 37 GLU C C 13 174.245 . . . . . . . . . . . 5009 1 448 . 1 1 37 37 GLU CA C 13 54.267 . . . . . . . . . . . 5009 1 449 . 1 1 37 37 GLU CB C 13 33.968 . . . . . . . . . . . 5009 1 450 . 1 1 37 37 GLU CG C 13 37.155 . . . . . . . . . . . 5009 1 451 . 1 1 37 37 GLU N N 15 115.080 . . . . . . . . . . . 5009 1 452 . 1 1 38 38 TYR H H 1 9.120 . . . . . . . . . . . 5009 1 453 . 1 1 38 38 TYR HA H 1 5.741 . . . . . . . . . . . 5009 1 454 . 1 1 38 38 TYR HB2 H 1 2.948 . . . . . . . . . . . 5009 1 455 . 1 1 38 38 TYR HB3 H 1 1.446 . . . . . . . . . . . 5009 1 456 . 1 1 38 38 TYR HD1 H 1 6.881 . . . . . . . . . . . 5009 1 457 . 1 1 38 38 TYR HD2 H 1 6.881 . . . . . . . . . . . 5009 1 458 . 1 1 38 38 TYR HE1 H 1 6.359 . . . . . . . . . . . 5009 1 459 . 1 1 38 38 TYR HE2 H 1 6.359 . . . . . . . . . . . 5009 1 460 . 1 1 38 38 TYR C C 13 175.196 . . . . . . . . . . . 5009 1 461 . 1 1 38 38 TYR CA C 13 57.385 . . . . . . . . . . . 5009 1 462 . 1 1 38 38 TYR CB C 13 42.897 . . . . . . . . . . . 5009 1 463 . 1 1 38 38 TYR CD1 C 13 133.774 . . . . . . . . . . . 5009 1 464 . 1 1 38 38 TYR CD2 C 13 133.774 . . . . . . . . . . . 5009 1 465 . 1 1 38 38 TYR CE1 C 13 116.984 . . . . . . . . . . . 5009 1 466 . 1 1 38 38 TYR CE2 C 13 116.984 . . . . . . . . . . . 5009 1 467 . 1 1 38 38 TYR N N 15 116.900 . . . . . . . . . . . 5009 1 468 . 1 1 39 39 ARG H H 1 8.397 . . . . . . . . . . . 5009 1 469 . 1 1 39 39 ARG HA H 1 4.371 . . . . . . . . . . . 5009 1 470 . 1 1 39 39 ARG HB2 H 1 1.414 . . . . . . . . . . . 5009 1 471 . 1 1 39 39 ARG HB3 H 1 1.336 . . . . . . . . . . . 5009 1 472 . 1 1 39 39 ARG C C 13 173.605 . . . . . . . . . . . 5009 1 473 . 1 1 39 39 ARG CA C 13 56.500 . . . . . . . . . . . 5009 1 474 . 1 1 39 39 ARG CB C 13 31.790 . . . . . . . . . . . 5009 1 475 . 1 1 39 39 ARG N N 15 115.510 . . . . . . . . . . . 5009 1 476 . 1 1 40 40 HIS H H 1 9.000 . . . . . . . . . . . 5009 1 477 . 1 1 40 40 HIS HA H 1 5.776 . . . . . . . . . . . 5009 1 478 . 1 1 40 40 HIS HB2 H 1 3.041 . . . . . . . . . . . 5009 1 479 . 1 1 40 40 HIS HB3 H 1 2.931 . . . . . . . . . . . 5009 1 480 . 1 1 40 40 HIS HD2 H 1 6.835 . . . . . . . . . . . 5009 1 481 . 1 1 40 40 HIS HE1 H 1 7.878 . . . . . . . . . . . 5009 1 482 . 1 1 40 40 HIS C C 13 174.191 . . . . . . . . . . . 5009 1 483 . 1 1 40 40 HIS CA C 13 54.013 . . . . . . . . . . . 5009 1 484 . 1 1 40 40 HIS CB C 13 32.727 . . . . . . . . . . . 5009 1 485 . 1 1 40 40 HIS CD2 C 13 119.160 . . . . . . . . . . . 5009 1 486 . 1 1 40 40 HIS CE1 C 13 138.285 . . . . . . . . . . . 5009 1 487 . 1 1 40 40 HIS N N 15 120.670 . . . . . . . . . . . 5009 1 488 . 1 1 41 41 VAL H H 1 9.360 . . . . . . . . . . . 5009 1 489 . 1 1 41 41 VAL HA H 1 4.438 . . . . . . . . . . . 5009 1 490 . 1 1 41 41 VAL HB H 1 1.885 . . . . . . . . . . . 5009 1 491 . 1 1 41 41 VAL HG11 H 1 0.454 . . . . . . . . . . . 5009 1 492 . 1 1 41 41 VAL HG12 H 1 0.454 . . . . . . . . . . . 5009 1 493 . 1 1 41 41 VAL HG13 H 1 0.454 . . . . . . . . . . . 5009 1 494 . 1 1 41 41 VAL HG21 H 1 0.405 . . . . . . . . . . . 5009 1 495 . 1 1 41 41 VAL HG22 H 1 0.405 . . . . . . . . . . . 5009 1 496 . 1 1 41 41 VAL HG23 H 1 0.405 . . . . . . . . . . . 5009 1 497 . 1 1 41 41 VAL C C 13 173.826 . . . . . . . . . . . 5009 1 498 . 1 1 41 41 VAL CA C 13 61.242 . . . . . . . . . . . 5009 1 499 . 1 1 41 41 VAL CB C 13 34.618 . . . . . . . . . . . 5009 1 500 . 1 1 41 41 VAL CG1 C 13 21.178 . . . . . . . . . . . 5009 1 501 . 1 1 41 41 VAL CG2 C 13 22.110 . . . . . . . . . . . 5009 1 502 . 1 1 41 41 VAL N N 15 123.310 . . . . . . . . . . . 5009 1 503 . 1 1 42 42 MET H H 1 9.190 . . . . . . . . . . . 5009 1 504 . 1 1 42 42 MET HA H 1 5.097 . . . . . . . . . . . 5009 1 505 . 1 1 42 42 MET HB2 H 1 2.146 . . . . . . . . . . . 5009 1 506 . 1 1 42 42 MET HB3 H 1 1.926 . . . . . . . . . . . 5009 1 507 . 1 1 42 42 MET HG2 H 1 2.478 . . . . . . . . . . . 5009 1 508 . 1 1 42 42 MET HG3 H 1 2.341 . . . . . . . . . . . 5009 1 509 . 1 1 42 42 MET HE1 H 1 2.013 . . . . . . . . . . . 5009 1 510 . 1 1 42 42 MET HE2 H 1 2.013 . . . . . . . . . . . 5009 1 511 . 1 1 42 42 MET HE3 H 1 2.013 . . . . . . . . . . . 5009 1 512 . 1 1 42 42 MET C C 13 175.495 . . . . . . . . . . . 5009 1 513 . 1 1 42 42 MET CA C 13 54.548 . . . . . . . . . . . 5009 1 514 . 1 1 42 42 MET CB C 13 34.994 . . . . . . . . . . . 5009 1 515 . 1 1 42 42 MET CG C 13 32.372 . . . . . . . . . . . 5009 1 516 . 1 1 42 42 MET CE C 13 17.271 . . . . . . . . . . . 5009 1 517 . 1 1 42 42 MET N N 15 126.180 . . . . . . . . . . . 5009 1 518 . 1 1 43 43 LEU H H 1 9.390 . . . . . . . . . . . 5009 1 519 . 1 1 43 43 LEU HA H 1 4.655 . . . . . . . . . . . 5009 1 520 . 1 1 43 43 LEU HB2 H 1 1.724 . . . . . . . . . . . 5009 1 521 . 1 1 43 43 LEU HB3 H 1 1.599 . . . . . . . . . . . 5009 1 522 . 1 1 43 43 LEU HG H 1 1.864 . . . . . . . . . . . 5009 1 523 . 1 1 43 43 LEU HD11 H 1 0.837 . . . . . . . . . . . 5009 1 524 . 1 1 43 43 LEU HD12 H 1 0.837 . . . . . . . . . . . 5009 1 525 . 1 1 43 43 LEU HD13 H 1 0.837 . . . . . . . . . . . 5009 1 526 . 1 1 43 43 LEU HD21 H 1 0.837 . . . . . . . . . . . 5009 1 527 . 1 1 43 43 LEU HD22 H 1 0.837 . . . . . . . . . . . 5009 1 528 . 1 1 43 43 LEU HD23 H 1 0.837 . . . . . . . . . . . 5009 1 529 . 1 1 43 43 LEU C C 13 174.751 . . . . . . . . . . . 5009 1 530 . 1 1 43 43 LEU CA C 13 52.333 . . . . . . . . . . . 5009 1 531 . 1 1 43 43 LEU CB C 13 40.135 . . . . . . . . . . . 5009 1 532 . 1 1 43 43 LEU CG C 13 26.615 . . . . . . . . . . . 5009 1 533 . 1 1 43 43 LEU CD1 C 13 25.515 . . . . . . . . . . . 5009 1 534 . 1 1 43 43 LEU CD2 C 13 22.047 . . . . . . . . . . . 5009 1 535 . 1 1 43 43 LEU N N 15 127.020 . . . . . . . . . . . 5009 1 536 . 1 1 44 44 PRO HA H 1 4.607 . . . . . . . . . . . 5009 1 537 . 1 1 44 44 PRO HB2 H 1 2.521 . . . . . . . . . . . 5009 1 538 . 1 1 44 44 PRO HB3 H 1 1.912 . . . . . . . . . . . 5009 1 539 . 1 1 44 44 PRO HG2 H 1 2.358 . . . . . . . . . . . 5009 1 540 . 1 1 44 44 PRO HG3 H 1 2.358 . . . . . . . . . . . 5009 1 541 . 1 1 44 44 PRO HD2 H 1 3.720 . . . . . . . . . . . 5009 1 542 . 1 1 44 44 PRO HD3 H 1 3.589 . . . . . . . . . . . 5009 1 543 . 1 1 44 44 PRO C C 13 178.821 . . . . . . . . . . . 5009 1 544 . 1 1 44 44 PRO CA C 13 62.561 . . . . . . . . . . . 5009 1 545 . 1 1 44 44 PRO CB C 13 31.379 . . . . . . . . . . . 5009 1 546 . 1 1 44 44 PRO CG C 13 29.147 . . . . . . . . . . . 5009 1 547 . 1 1 44 44 PRO CD C 13 49.686 . . . . . . . . . . . 5009 1 548 . 1 1 44 44 PRO N N 15 133.291 . . . . . . . . . . . 5009 1 549 . 1 1 45 45 LYS H H 1 8.690 . . . . . . . . . . . 5009 1 550 . 1 1 45 45 LYS HA H 1 3.598 . . . . . . . . . . . 5009 1 551 . 1 1 45 45 LYS HB2 H 1 1.700 . . . . . . . . . . . 5009 1 552 . 1 1 45 45 LYS HB3 H 1 1.592 . . . . . . . . . . . 5009 1 553 . 1 1 45 45 LYS HG2 H 1 1.251 . . . . . . . . . . . 5009 1 554 . 1 1 45 45 LYS HG3 H 1 0.925 . . . . . . . . . . . 5009 1 555 . 1 1 45 45 LYS HD2 H 1 1.494 . . . . . . . . . . . 5009 1 556 . 1 1 45 45 LYS HD3 H 1 1.494 . . . . . . . . . . . 5009 1 557 . 1 1 45 45 LYS HE2 H 1 2.575 . . . . . . . . . . . 5009 1 558 . 1 1 45 45 LYS HE3 H 1 2.575 . . . . . . . . . . . 5009 1 559 . 1 1 45 45 LYS C C 13 179.915 . . . . . . . . . . . 5009 1 560 . 1 1 45 45 LYS CA C 13 61.143 . . . . . . . . . . . 5009 1 561 . 1 1 45 45 LYS CB C 13 31.987 . . . . . . . . . . . 5009 1 562 . 1 1 45 45 LYS CG C 13 26.095 . . . . . . . . . . . 5009 1 563 . 1 1 45 45 LYS CD C 13 29.249 . . . . . . . . . . . 5009 1 564 . 1 1 45 45 LYS CE C 13 41.711 . . . . . . . . . . . 5009 1 565 . 1 1 45 45 LYS N N 15 126.060 . . . . . . . . . . . 5009 1 566 . 1 1 46 46 ALA H H 1 8.860 . . . . . . . . . . . 5009 1 567 . 1 1 46 46 ALA HA H 1 4.027 . . . . . . . . . . . 5009 1 568 . 1 1 46 46 ALA HB1 H 1 1.468 . . . . . . . . . . . 5009 1 569 . 1 1 46 46 ALA HB2 H 1 1.468 . . . . . . . . . . . 5009 1 570 . 1 1 46 46 ALA HB3 H 1 1.468 . . . . . . . . . . . 5009 1 571 . 1 1 46 46 ALA C C 13 178.876 . . . . . . . . . . . 5009 1 572 . 1 1 46 46 ALA CA C 13 54.239 . . . . . . . . . . . 5009 1 573 . 1 1 46 46 ALA CB C 13 18.986 . . . . . . . . . . . 5009 1 574 . 1 1 46 46 ALA N N 15 118.820 . . . . . . . . . . . 5009 1 575 . 1 1 47 47 MET H H 1 7.510 . . . . . . . . . . . 5009 1 576 . 1 1 47 47 MET HA H 1 2.690 . . . . . . . . . . . 5009 1 577 . 1 1 47 47 MET HB2 H 1 1.990 . . . . . . . . . . . 5009 1 578 . 1 1 47 47 MET HB3 H 1 1.293 . . . . . . . . . . . 5009 1 579 . 1 1 47 47 MET HG2 H 1 2.371 . . . . . . . . . . . 5009 1 580 . 1 1 47 47 MET HG3 H 1 2.302 . . . . . . . . . . . 5009 1 581 . 1 1 47 47 MET HE1 H 1 2.300 . . . . . . . . . . . 5009 1 582 . 1 1 47 47 MET HE2 H 1 2.300 . . . . . . . . . . . 5009 1 583 . 1 1 47 47 MET HE3 H 1 2.300 . . . . . . . . . . . 5009 1 584 . 1 1 47 47 MET C C 13 177.836 . . . . . . . . . . . 5009 1 585 . 1 1 47 47 MET CA C 13 57.935 . . . . . . . . . . . 5009 1 586 . 1 1 47 47 MET CB C 13 33.394 . . . . . . . . . . . 5009 1 587 . 1 1 47 47 MET CG C 13 33.394 . . . . . . . . . . . 5009 1 588 . 1 1 47 47 MET CE C 13 19.352 . . . . . . . . . . . 5009 1 589 . 1 1 47 47 MET N N 15 116.700 . . . . . . . . . . . 5009 1 590 . 1 1 48 48 LEU H H 1 7.160 . . . . . . . . . . . 5009 1 591 . 1 1 48 48 LEU HA H 1 3.991 . . . . . . . . . . . 5009 1 592 . 1 1 48 48 LEU HB2 H 1 1.897 . . . . . . . . . . . 5009 1 593 . 1 1 48 48 LEU HB3 H 1 1.751 . . . . . . . . . . . 5009 1 594 . 1 1 48 48 LEU HG H 1 1.805 . . . . . . . . . . . 5009 1 595 . 1 1 48 48 LEU HD11 H 1 1.042 . . . . . . . . . . . 5009 1 596 . 1 1 48 48 LEU HD12 H 1 1.042 . . . . . . . . . . . 5009 1 597 . 1 1 48 48 LEU HD13 H 1 1.042 . . . . . . . . . . . 5009 1 598 . 1 1 48 48 LEU HD21 H 1 0.984 . . . . . . . . . . . 5009 1 599 . 1 1 48 48 LEU HD22 H 1 0.984 . . . . . . . . . . . 5009 1 600 . 1 1 48 48 LEU HD23 H 1 0.984 . . . . . . . . . . . 5009 1 601 . 1 1 48 48 LEU C C 13 178.721 . . . . . . . . . . . 5009 1 602 . 1 1 48 48 LEU CA C 13 58.306 . . . . . . . . . . . 5009 1 603 . 1 1 48 48 LEU CB C 13 41.303 . . . . . . . . . . . 5009 1 604 . 1 1 48 48 LEU CG C 13 28.348 . . . . . . . . . . . 5009 1 605 . 1 1 48 48 LEU CD1 C 13 25.244 . . . . . . . . . . . 5009 1 606 . 1 1 48 48 LEU CD2 C 13 23.378 . . . . . . . . . . . 5009 1 607 . 1 1 48 48 LEU N N 15 114.920 . . . . . . . . . . . 5009 1 608 . 1 1 49 49 LYS H H 1 6.890 . . . . . . . . . . . 5009 1 609 . 1 1 49 49 LYS HA H 1 4.146 . . . . . . . . . . . 5009 1 610 . 1 1 49 49 LYS HB2 H 1 1.953 . . . . . . . . . . . 5009 1 611 . 1 1 49 49 LYS HB3 H 1 1.808 . . . . . . . . . . . 5009 1 612 . 1 1 49 49 LYS HG2 H 1 1.488 . . . . . . . . . . . 5009 1 613 . 1 1 49 49 LYS HG3 H 1 1.488 . . . . . . . . . . . 5009 1 614 . 1 1 49 49 LYS HD2 H 1 1.687 . . . . . . . . . . . 5009 1 615 . 1 1 49 49 LYS HD3 H 1 1.687 . . . . . . . . . . . 5009 1 616 . 1 1 49 49 LYS HE2 H 1 3.000 . . . . . . . . . . . 5009 1 617 . 1 1 49 49 LYS HE3 H 1 3.000 . . . . . . . . . . . 5009 1 618 . 1 1 49 49 LYS C C 13 176.255 . . . . . . . . . . . 5009 1 619 . 1 1 49 49 LYS CA C 13 57.406 . . . . . . . . . . . 5009 1 620 . 1 1 49 49 LYS CB C 13 32.184 . . . . . . . . . . . 5009 1 621 . 1 1 49 49 LYS CG C 13 24.867 . . . . . . . . . . . 5009 1 622 . 1 1 49 49 LYS CD C 13 28.892 . . . . . . . . . . . 5009 1 623 . 1 1 49 49 LYS CE C 13 42.019 . . . . . . . . . . . 5009 1 624 . 1 1 49 49 LYS N N 15 113.020 . . . . . . . . . . . 5009 1 625 . 1 1 50 50 ALA H H 1 7.460 . . . . . . . . . . . 5009 1 626 . 1 1 50 50 ALA HA H 1 4.508 . . . . . . . . . . . 5009 1 627 . 1 1 50 50 ALA HB1 H 1 1.468 . . . . . . . . . . . 5009 1 628 . 1 1 50 50 ALA HB2 H 1 1.468 . . . . . . . . . . . 5009 1 629 . 1 1 50 50 ALA HB3 H 1 1.468 . . . . . . . . . . . 5009 1 630 . 1 1 50 50 ALA C C 13 175.960 . . . . . . . . . . . 5009 1 631 . 1 1 50 50 ALA CA C 13 51.445 . . . . . . . . . . . 5009 1 632 . 1 1 50 50 ALA CB C 13 20.603 . . . . . . . . . . . 5009 1 633 . 1 1 50 50 ALA N N 15 119.890 . . . . . . . . . . . 5009 1 634 . 1 1 51 51 ILE H H 1 7.020 . . . . . . . . . . . 5009 1 635 . 1 1 51 51 ILE HA H 1 4.097 . . . . . . . . . . . 5009 1 636 . 1 1 51 51 ILE HB H 1 2.061 . . . . . . . . . . . 5009 1 637 . 1 1 51 51 ILE HG12 H 1 2.272 . . . . . . . . . . . 5009 1 638 . 1 1 51 51 ILE HG13 H 1 0.866 . . . . . . . . . . . 5009 1 639 . 1 1 51 51 ILE HG21 H 1 1.013 . . . . . . . . . . . 5009 1 640 . 1 1 51 51 ILE HG22 H 1 1.013 . . . . . . . . . . . 5009 1 641 . 1 1 51 51 ILE HG23 H 1 1.013 . . . . . . . . . . . 5009 1 642 . 1 1 51 51 ILE HD11 H 1 0.866 . . . . . . . . . . . 5009 1 643 . 1 1 51 51 ILE HD12 H 1 0.866 . . . . . . . . . . . 5009 1 644 . 1 1 51 51 ILE HD13 H 1 0.866 . . . . . . . . . . . 5009 1 645 . 1 1 51 51 ILE C C 13 173.510 . . . . . . . . . . . 5009 1 646 . 1 1 51 51 ILE CA C 13 60.290 . . . . . . . . . . . 5009 1 647 . 1 1 51 51 ILE CB C 13 40.146 . . . . . . . . . . . 5009 1 648 . 1 1 51 51 ILE CG1 C 13 29.657 . . . . . . . . . . . 5009 1 649 . 1 1 51 51 ILE CG2 C 13 17.881 . . . . . . . . . . . 5009 1 650 . 1 1 51 51 ILE CD1 C 13 14.651 . . . . . . . . . . . 5009 1 651 . 1 1 51 51 ILE N N 15 122.280 . . . . . . . . . . . 5009 1 652 . 1 1 52 52 PRO HA H 1 4.478 . . . . . . . . . . . 5009 1 653 . 1 1 52 52 PRO HB2 H 1 2.365 . . . . . . . . . . . 5009 1 654 . 1 1 52 52 PRO HB3 H 1 1.821 . . . . . . . . . . . 5009 1 655 . 1 1 52 52 PRO HG2 H 1 1.703 . . . . . . . . . . . 5009 1 656 . 1 1 52 52 PRO HG3 H 1 1.703 . . . . . . . . . . . 5009 1 657 . 1 1 52 52 PRO HD2 H 1 3.922 . . . . . . . . . . . 5009 1 658 . 1 1 52 52 PRO HD3 H 1 3.057 . . . . . . . . . . . 5009 1 659 . 1 1 52 52 PRO C C 13 177.521 . . . . . . . . . . . 5009 1 660 . 1 1 52 52 PRO CA C 13 63.699 . . . . . . . . . . . 5009 1 661 . 1 1 52 52 PRO CB C 13 33.003 . . . . . . . . . . . 5009 1 662 . 1 1 52 52 PRO CG C 13 29.287 . . . . . . . . . . . 5009 1 663 . 1 1 52 52 PRO CD C 13 50.864 . . . . . . . . . . . 5009 1 664 . 1 1 52 52 PRO N N 15 139.031 . . . . . . . . . . . 5009 1 665 . 1 1 53 53 THR H H 1 8.600 . . . . . . . . . . . 5009 1 666 . 1 1 53 53 THR HA H 1 4.157 . . . . . . . . . . . 5009 1 667 . 1 1 53 53 THR HB H 1 4.274 . . . . . . . . . . . 5009 1 668 . 1 1 53 53 THR HG21 H 1 1.366 . . . . . . . . . . . 5009 1 669 . 1 1 53 53 THR HG22 H 1 1.366 . . . . . . . . . . . 5009 1 670 . 1 1 53 53 THR HG23 H 1 1.366 . . . . . . . . . . . 5009 1 671 . 1 1 53 53 THR C C 13 176.376 . . . . . . . . . . . 5009 1 672 . 1 1 53 53 THR CA C 13 65.924 . . . . . . . . . . . 5009 1 673 . 1 1 53 53 THR CB C 13 69.110 . . . . . . . . . . . 5009 1 674 . 1 1 53 53 THR CG2 C 13 22.130 . . . . . . . . . . . 5009 1 675 . 1 1 53 53 THR N N 15 114.950 . . . . . . . . . . . 5009 1 676 . 1 1 54 54 ASP H H 1 8.820 . . . . . . . . . . . 5009 1 677 . 1 1 54 54 ASP HA H 1 4.731 . . . . . . . . . . . 5009 1 678 . 1 1 54 54 ASP HB2 H 1 2.750 . . . . . . . . . . . 5009 1 679 . 1 1 54 54 ASP HB3 H 1 2.691 . . . . . . . . . . . 5009 1 680 . 1 1 54 54 ASP C C 13 176.501 . . . . . . . . . . . 5009 1 681 . 1 1 54 54 ASP CA C 13 55.521 . . . . . . . . . . . 5009 1 682 . 1 1 54 54 ASP CB C 13 39.777 . . . . . . . . . . . 5009 1 683 . 1 1 54 54 ASP N N 15 117.370 . . . . . . . . . . . 5009 1 684 . 1 1 55 55 TYR H H 1 8.220 . . . . . . . . . . . 5009 1 685 . 1 1 55 55 TYR HA H 1 4.273 . . . . . . . . . . . 5009 1 686 . 1 1 55 55 TYR HB2 H 1 3.040 . . . . . . . . . . . 5009 1 687 . 1 1 55 55 TYR HB3 H 1 2.866 . . . . . . . . . . . 5009 1 688 . 1 1 55 55 TYR HD1 H 1 6.900 . . . . . . . . . . . 5009 1 689 . 1 1 55 55 TYR HD2 H 1 6.900 . . . . . . . . . . . 5009 1 690 . 1 1 55 55 TYR HE1 H 1 6.705 . . . . . . . . . . . 5009 1 691 . 1 1 55 55 TYR HE2 H 1 6.705 . . . . . . . . . . . 5009 1 692 . 1 1 55 55 TYR C C 13 173.491 . . . . . . . . . . . 5009 1 693 . 1 1 55 55 TYR CA C 13 58.740 . . . . . . . . . . . 5009 1 694 . 1 1 55 55 TYR CB C 13 36.905 . . . . . . . . . . . 5009 1 695 . 1 1 55 55 TYR CD1 C 13 133.774 . . . . . . . . . . . 5009 1 696 . 1 1 55 55 TYR CD2 C 13 133.774 . . . . . . . . . . . 5009 1 697 . 1 1 55 55 TYR CE1 C 13 117.606 . . . . . . . . . . . 5009 1 698 . 1 1 55 55 TYR CE2 C 13 117.606 . . . . . . . . . . . 5009 1 699 . 1 1 55 55 TYR N N 15 119.870 . . . . . . . . . . . 5009 1 700 . 1 1 56 56 PHE H H 1 7.940 . . . . . . . . . . . 5009 1 701 . 1 1 56 56 PHE HA H 1 4.737 . . . . . . . . . . . 5009 1 702 . 1 1 56 56 PHE HB2 H 1 3.129 . . . . . . . . . . . 5009 1 703 . 1 1 56 56 PHE HB3 H 1 2.642 . . . . . . . . . . . 5009 1 704 . 1 1 56 56 PHE HD1 H 1 7.102 . . . . . . . . . . . 5009 1 705 . 1 1 56 56 PHE HD2 H 1 7.102 . . . . . . . . . . . 5009 1 706 . 1 1 56 56 PHE HE1 H 1 7.265 . . . . . . . . . . . 5009 1 707 . 1 1 56 56 PHE HE2 H 1 7.265 . . . . . . . . . . . 5009 1 708 . 1 1 56 56 PHE HZ H 1 7.467 . . . . . . . . . . . 5009 1 709 . 1 1 56 56 PHE C C 13 175.336 . . . . . . . . . . . 5009 1 710 . 1 1 56 56 PHE CA C 13 58.022 . . . . . . . . . . . 5009 1 711 . 1 1 56 56 PHE CB C 13 40.353 . . . . . . . . . . . 5009 1 712 . 1 1 56 56 PHE CD1 C 13 131.908 . . . . . . . . . . . 5009 1 713 . 1 1 56 56 PHE CD2 C 13 131.908 . . . . . . . . . . . 5009 1 714 . 1 1 56 56 PHE CE1 C 13 131.286 . . . . . . . . . . . 5009 1 715 . 1 1 56 56 PHE CE2 C 13 131.286 . . . . . . . . . . . 5009 1 716 . 1 1 56 56 PHE CZ C 13 129.576 . . . . . . . . . . . 5009 1 717 . 1 1 56 56 PHE N N 15 116.720 . . . . . . . . . . . 5009 1 718 . 1 1 57 57 ASN H H 1 9.350 . . . . . . . . . . . 5009 1 719 . 1 1 57 57 ASN HA H 1 5.067 . . . . . . . . . . . 5009 1 720 . 1 1 57 57 ASN HB2 H 1 3.532 . . . . . . . . . . . 5009 1 721 . 1 1 57 57 ASN HB3 H 1 2.423 . . . . . . . . . . . 5009 1 722 . 1 1 57 57 ASN HD21 H 1 7.777 . . . . . . . . . . . 5009 1 723 . 1 1 57 57 ASN HD22 H 1 7.464 . . . . . . . . . . . 5009 1 724 . 1 1 57 57 ASN C C 13 175.096 . . . . . . . . . . . 5009 1 725 . 1 1 57 57 ASN CA C 13 50.026 . . . . . . . . . . . 5009 1 726 . 1 1 57 57 ASN CB C 13 39.239 . . . . . . . . . . . 5009 1 727 . 1 1 57 57 ASN N N 15 121.470 . . . . . . . . . . . 5009 1 728 . 1 1 57 57 ASN ND2 N 15 113.712 . . . . . . . . . . . 5009 1 729 . 1 1 58 58 PRO HA H 1 4.449 . . . . . . . . . . . 5009 1 730 . 1 1 58 58 PRO HB2 H 1 2.426 . . . . . . . . . . . 5009 1 731 . 1 1 58 58 PRO HB3 H 1 2.099 . . . . . . . . . . . 5009 1 732 . 1 1 58 58 PRO HG2 H 1 2.159 . . . . . . . . . . . 5009 1 733 . 1 1 58 58 PRO HG3 H 1 2.159 . . . . . . . . . . . 5009 1 734 . 1 1 58 58 PRO HD2 H 1 4.214 . . . . . . . . . . . 5009 1 735 . 1 1 58 58 PRO HD3 H 1 4.062 . . . . . . . . . . . 5009 1 736 . 1 1 58 58 PRO C C 13 177.926 . . . . . . . . . . . 5009 1 737 . 1 1 58 58 PRO CA C 13 64.279 . . . . . . . . . . . 5009 1 738 . 1 1 58 58 PRO CB C 13 32.350 . . . . . . . . . . . 5009 1 739 . 1 1 58 58 PRO CG C 13 27.091 . . . . . . . . . . . 5009 1 740 . 1 1 58 58 PRO CD C 13 51.151 . . . . . . . . . . . 5009 1 741 . 1 1 58 58 PRO N N 15 138.412 . . . . . . . . . . . 5009 1 742 . 1 1 59 59 GLU H H 1 8.240 . . . . . . . . . . . 5009 1 743 . 1 1 59 59 GLU HA H 1 4.260 . . . . . . . . . . . 5009 1 744 . 1 1 59 59 GLU HB2 H 1 2.159 . . . . . . . . . . . 5009 1 745 . 1 1 59 59 GLU HB3 H 1 2.159 . . . . . . . . . . . 5009 1 746 . 1 1 59 59 GLU HG2 H 1 2.395 . . . . . . . . . . . 5009 1 747 . 1 1 59 59 GLU HG3 H 1 2.305 . . . . . . . . . . . 5009 1 748 . 1 1 59 59 GLU C C 13 177.926 . . . . . . . . . . . 5009 1 749 . 1 1 59 59 GLU CA C 13 58.485 . . . . . . . . . . . 5009 1 750 . 1 1 59 59 GLU CB C 13 30.289 . . . . . . . . . . . 5009 1 751 . 1 1 59 59 GLU CG C 13 36.932 . . . . . . . . . . . 5009 1 752 . 1 1 59 59 GLU N N 15 115.590 . . . . . . . . . . . 5009 1 753 . 1 1 60 60 THR H H 1 7.230 . . . . . . . . . . . 5009 1 754 . 1 1 60 60 THR HA H 1 4.562 . . . . . . . . . . . 5009 1 755 . 1 1 60 60 THR HB H 1 4.353 . . . . . . . . . . . 5009 1 756 . 1 1 60 60 THR HG21 H 1 1.161 . . . . . . . . . . . 5009 1 757 . 1 1 60 60 THR HG22 H 1 1.161 . . . . . . . . . . . 5009 1 758 . 1 1 60 60 THR HG23 H 1 1.161 . . . . . . . . . . . 5009 1 759 . 1 1 60 60 THR C C 13 176.680 . . . . . . . . . . . 5009 1 760 . 1 1 60 60 THR CA C 13 61.425 . . . . . . . . . . . 5009 1 761 . 1 1 60 60 THR CB C 13 70.537 . . . . . . . . . . . 5009 1 762 . 1 1 60 60 THR CG2 C 13 21.775 . . . . . . . . . . . 5009 1 763 . 1 1 60 60 THR N N 15 104.900 . . . . . . . . . . . 5009 1 764 . 1 1 61 61 GLY H H 1 8.570 . . . . . . . . . . . 5009 1 765 . 1 1 61 61 GLY HA2 H 1 4.214 . . . . . . . . . . . 5009 1 766 . 1 1 61 61 GLY HA3 H 1 3.888 . . . . . . . . . . . 5009 1 767 . 1 1 61 61 GLY C C 13 174.410 . . . . . . . . . . . 5009 1 768 . 1 1 61 61 GLY CA C 13 45.995 . . . . . . . . . . . 5009 1 769 . 1 1 61 61 GLY N N 15 110.080 . . . . . . . . . . . 5009 1 770 . 1 1 62 62 THR H H 1 7.870 . . . . . . . . . . . 5009 1 771 . 1 1 62 62 THR HA H 1 4.862 . . . . . . . . . . . 5009 1 772 . 1 1 62 62 THR HB H 1 4.507 . . . . . . . . . . . 5009 1 773 . 1 1 62 62 THR HG21 H 1 1.132 . . . . . . . . . . . 5009 1 774 . 1 1 62 62 THR HG22 H 1 1.132 . . . . . . . . . . . 5009 1 775 . 1 1 62 62 THR HG23 H 1 1.132 . . . . . . . . . . . 5009 1 776 . 1 1 62 62 THR C C 13 173.941 . . . . . . . . . . . 5009 1 777 . 1 1 62 62 THR CA C 13 59.902 . . . . . . . . . . . 5009 1 778 . 1 1 62 62 THR CB C 13 72.263 . . . . . . . . . . . 5009 1 779 . 1 1 62 62 THR CG2 C 13 21.140 . . . . . . . . . . . 5009 1 780 . 1 1 62 62 THR N N 15 109.550 . . . . . . . . . . . 5009 1 781 . 1 1 63 63 LEU H H 1 9.210 . . . . . . . . . . . 5009 1 782 . 1 1 63 63 LEU HA H 1 3.996 . . . . . . . . . . . 5009 1 783 . 1 1 63 63 LEU HB2 H 1 1.545 . . . . . . . . . . . 5009 1 784 . 1 1 63 63 LEU HB3 H 1 1.410 . . . . . . . . . . . 5009 1 785 . 1 1 63 63 LEU HG H 1 1.661 . . . . . . . . . . . 5009 1 786 . 1 1 63 63 LEU HD11 H 1 0.674 . . . . . . . . . . . 5009 1 787 . 1 1 63 63 LEU HD12 H 1 0.674 . . . . . . . . . . . 5009 1 788 . 1 1 63 63 LEU HD13 H 1 0.674 . . . . . . . . . . . 5009 1 789 . 1 1 63 63 LEU HD21 H 1 0.193 . . . . . . . . . . . 5009 1 790 . 1 1 63 63 LEU HD22 H 1 0.193 . . . . . . . . . . . 5009 1 791 . 1 1 63 63 LEU HD23 H 1 0.193 . . . . . . . . . . . 5009 1 792 . 1 1 63 63 LEU C C 13 177.631 . . . . . . . . . . . 5009 1 793 . 1 1 63 63 LEU CA C 13 56.522 . . . . . . . . . . . 5009 1 794 . 1 1 63 63 LEU CB C 13 42.984 . . . . . . . . . . . 5009 1 795 . 1 1 63 63 LEU CG C 13 27.192 . . . . . . . . . . . 5009 1 796 . 1 1 63 63 LEU CD1 C 13 26.454 . . . . . . . . . . . 5009 1 797 . 1 1 63 63 LEU CD2 C 13 24.140 . . . . . . . . . . . 5009 1 798 . 1 1 63 63 LEU N N 15 122.750 . . . . . . . . . . . 5009 1 799 . 1 1 64 64 ARG H H 1 8.250 . . . . . . . . . . . 5009 1 800 . 1 1 64 64 ARG HA H 1 4.299 . . . . . . . . . . . 5009 1 801 . 1 1 64 64 ARG HB2 H 1 1.796 . . . . . . . . . . . 5009 1 802 . 1 1 64 64 ARG HB3 H 1 1.490 . . . . . . . . . . . 5009 1 803 . 1 1 64 64 ARG HG2 H 1 1.348 . . . . . . . . . . . 5009 1 804 . 1 1 64 64 ARG HG3 H 1 1.236 . . . . . . . . . . . 5009 1 805 . 1 1 64 64 ARG HD2 H 1 3.210 . . . . . . . . . . . 5009 1 806 . 1 1 64 64 ARG HD3 H 1 3.104 . . . . . . . . . . . 5009 1 807 . 1 1 64 64 ARG C C 13 172.956 . . . . . . . . . . . 5009 1 808 . 1 1 64 64 ARG CA C 13 54.862 . . . . . . . . . . . 5009 1 809 . 1 1 64 64 ARG CB C 13 31.129 . . . . . . . . . . . 5009 1 810 . 1 1 64 64 ARG CG C 13 27.650 . . . . . . . . . . . 5009 1 811 . 1 1 64 64 ARG CD C 13 43.471 . . . . . . . . . . . 5009 1 812 . 1 1 64 64 ARG N N 15 119.270 . . . . . . . . . . . 5009 1 813 . 1 1 65 65 ILE H H 1 7.780 . . . . . . . . . . . 5009 1 814 . 1 1 65 65 ILE HA H 1 3.628 . . . . . . . . . . . 5009 1 815 . 1 1 65 65 ILE HB H 1 1.969 . . . . . . . . . . . 5009 1 816 . 1 1 65 65 ILE HG12 H 1 1.430 . . . . . . . . . . . 5009 1 817 . 1 1 65 65 ILE HG13 H 1 1.430 . . . . . . . . . . . 5009 1 818 . 1 1 65 65 ILE HG21 H 1 0.763 . . . . . . . . . . . 5009 1 819 . 1 1 65 65 ILE HG22 H 1 0.763 . . . . . . . . . . . 5009 1 820 . 1 1 65 65 ILE HG23 H 1 0.763 . . . . . . . . . . . 5009 1 821 . 1 1 65 65 ILE HD11 H 1 0.573 . . . . . . . . . . . 5009 1 822 . 1 1 65 65 ILE HD12 H 1 0.573 . . . . . . . . . . . 5009 1 823 . 1 1 65 65 ILE HD13 H 1 0.573 . . . . . . . . . . . 5009 1 824 . 1 1 65 65 ILE C C 13 176.751 . . . . . . . . . . . 5009 1 825 . 1 1 65 65 ILE CA C 13 61.435 . . . . . . . . . . . 5009 1 826 . 1 1 65 65 ILE CB C 13 34.245 . . . . . . . . . . . 5009 1 827 . 1 1 65 65 ILE CG1 C 13 26.967 . . . . . . . . . . . 5009 1 828 . 1 1 65 65 ILE CG2 C 13 18.098 . . . . . . . . . . . 5009 1 829 . 1 1 65 65 ILE CD1 C 13 10.082 . . . . . . . . . . . 5009 1 830 . 1 1 65 65 ILE N N 15 114.190 . . . . . . . . . . . 5009 1 831 . 1 1 66 66 LEU H H 1 7.970 . . . . . . . . . . . 5009 1 832 . 1 1 66 66 LEU HA H 1 4.513 . . . . . . . . . . . 5009 1 833 . 1 1 66 66 LEU HB2 H 1 2.132 . . . . . . . . . . . 5009 1 834 . 1 1 66 66 LEU HB3 H 1 1.803 . . . . . . . . . . . 5009 1 835 . 1 1 66 66 LEU HG H 1 0.839 . . . . . . . . . . . 5009 1 836 . 1 1 66 66 LEU HD11 H 1 0.883 . . . . . . . . . . . 5009 1 837 . 1 1 66 66 LEU HD12 H 1 0.883 . . . . . . . . . . . 5009 1 838 . 1 1 66 66 LEU HD13 H 1 0.883 . . . . . . . . . . . 5009 1 839 . 1 1 66 66 LEU HD21 H 1 0.517 . . . . . . . . . . . 5009 1 840 . 1 1 66 66 LEU HD22 H 1 0.517 . . . . . . . . . . . 5009 1 841 . 1 1 66 66 LEU HD23 H 1 0.517 . . . . . . . . . . . 5009 1 842 . 1 1 66 66 LEU C C 13 177.230 . . . . . . . . . . . 5009 1 843 . 1 1 66 66 LEU CA C 13 54.011 . . . . . . . . . . . 5009 1 844 . 1 1 66 66 LEU CB C 13 42.512 . . . . . . . . . . . 5009 1 845 . 1 1 66 66 LEU CG C 13 26.039 . . . . . . . . . . . 5009 1 846 . 1 1 66 66 LEU CD1 C 13 26.358 . . . . . . . . . . . 5009 1 847 . 1 1 66 66 LEU CD2 C 13 22.319 . . . . . . . . . . . 5009 1 848 . 1 1 66 66 LEU N N 15 132.460 . . . . . . . . . . . 5009 1 849 . 1 1 67 67 GLN H H 1 9.410 . . . . . . . . . . . 5009 1 850 . 1 1 67 67 GLN HA H 1 4.567 . . . . . . . . . . . 5009 1 851 . 1 1 67 67 GLN HB2 H 1 2.499 . . . . . . . . . . . 5009 1 852 . 1 1 67 67 GLN HB3 H 1 1.672 . . . . . . . . . . . 5009 1 853 . 1 1 67 67 GLN HG2 H 1 2.574 . . . . . . . . . . . 5009 1 854 . 1 1 67 67 GLN HG3 H 1 2.499 . . . . . . . . . . . 5009 1 855 . 1 1 67 67 GLN HE21 H 1 7.697 . . . . . . . . . . . 5009 1 856 . 1 1 67 67 GLN HE22 H 1 6.732 . . . . . . . . . . . 5009 1 857 . 1 1 67 67 GLN C C 13 177.501 . . . . . . . . . . . 5009 1 858 . 1 1 67 67 GLN CA C 13 55.246 . . . . . . . . . . . 5009 1 859 . 1 1 67 67 GLN CB C 13 30.447 . . . . . . . . . . . 5009 1 860 . 1 1 67 67 GLN CG C 13 34.495 . . . . . . . . . . . 5009 1 861 . 1 1 67 67 GLN N N 15 120.910 . . . . . . . . . . . 5009 1 862 . 1 1 67 67 GLN NE2 N 15 111.944 . . . . . . . . . . . 5009 1 863 . 1 1 68 68 GLU H H 1 9.400 . . . . . . . . . . . 5009 1 864 . 1 1 68 68 GLU HA H 1 2.690 . . . . . . . . . . . 5009 1 865 . 1 1 68 68 GLU HB2 H 1 2.188 . . . . . . . . . . . 5009 1 866 . 1 1 68 68 GLU HB3 H 1 1.860 . . . . . . . . . . . 5009 1 867 . 1 1 68 68 GLU HG2 H 1 1.777 . . . . . . . . . . . 5009 1 868 . 1 1 68 68 GLU HG3 H 1 1.777 . . . . . . . . . . . 5009 1 869 . 1 1 68 68 GLU C C 13 177.010 . . . . . . . . . . . 5009 1 870 . 1 1 68 68 GLU CA C 13 60.259 . . . . . . . . . . . 5009 1 871 . 1 1 68 68 GLU CB C 13 28.918 . . . . . . . . . . . 5009 1 872 . 1 1 68 68 GLU CG C 13 35.765 . . . . . . . . . . . 5009 1 873 . 1 1 68 68 GLU N N 15 125.200 . . . . . . . . . . . 5009 1 874 . 1 1 69 69 GLU H H 1 9.520 . . . . . . . . . . . 5009 1 875 . 1 1 69 69 GLU HA H 1 3.715 . . . . . . . . . . . 5009 1 876 . 1 1 69 69 GLU HB2 H 1 1.954 . . . . . . . . . . . 5009 1 877 . 1 1 69 69 GLU HB3 H 1 1.689 . . . . . . . . . . . 5009 1 878 . 1 1 69 69 GLU HG2 H 1 2.364 . . . . . . . . . . . 5009 1 879 . 1 1 69 69 GLU HG3 H 1 2.305 . . . . . . . . . . . 5009 1 880 . 1 1 69 69 GLU C C 13 180.120 . . . . . . . . . . . 5009 1 881 . 1 1 69 69 GLU CA C 13 59.991 . . . . . . . . . . . 5009 1 882 . 1 1 69 69 GLU CB C 13 29.892 . . . . . . . . . . . 5009 1 883 . 1 1 69 69 GLU CG C 13 37.137 . . . . . . . . . . . 5009 1 884 . 1 1 69 69 GLU N N 15 114.560 . . . . . . . . . . . 5009 1 885 . 1 1 70 70 GLU H H 1 7.380 . . . . . . . . . . . 5009 1 886 . 1 1 70 70 GLU HA H 1 4.360 . . . . . . . . . . . 5009 1 887 . 1 1 70 70 GLU HB2 H 1 2.819 . . . . . . . . . . . 5009 1 888 . 1 1 70 70 GLU HB3 H 1 1.793 . . . . . . . . . . . 5009 1 889 . 1 1 70 70 GLU HG2 H 1 2.507 . . . . . . . . . . . 5009 1 890 . 1 1 70 70 GLU HG3 H 1 2.037 . . . . . . . . . . . 5009 1 891 . 1 1 70 70 GLU C C 13 178.816 . . . . . . . . . . . 5009 1 892 . 1 1 70 70 GLU CA C 13 57.694 . . . . . . . . . . . 5009 1 893 . 1 1 70 70 GLU CB C 13 30.868 . . . . . . . . . . . 5009 1 894 . 1 1 70 70 GLU CG C 13 36.965 . . . . . . . . . . . 5009 1 895 . 1 1 70 70 GLU N N 15 114.430 . . . . . . . . . . . 5009 1 896 . 1 1 71 71 TRP H H 1 8.380 . . . . . . . . . . . 5009 1 897 . 1 1 71 71 TRP HA H 1 4.609 . . . . . . . . . . . 5009 1 898 . 1 1 71 71 TRP HB2 H 1 3.647 . . . . . . . . . . . 5009 1 899 . 1 1 71 71 TRP HB3 H 1 3.319 . . . . . . . . . . . 5009 1 900 . 1 1 71 71 TRP HD1 H 1 7.176 . . . . . . . . . . . 5009 1 901 . 1 1 71 71 TRP HE1 H 1 10.957 . . . . . . . . . . . 5009 1 902 . 1 1 71 71 TRP HE3 H 1 7.350 . . . . . . . . . . . 5009 1 903 . 1 1 71 71 TRP HZ2 H 1 7.963 . . . . . . . . . . . 5009 1 904 . 1 1 71 71 TRP HZ3 H 1 7.254 . . . . . . . . . . . 5009 1 905 . 1 1 71 71 TRP HH2 H 1 7.206 . . . . . . . . . . . 5009 1 906 . 1 1 71 71 TRP C C 13 180.050 . . . . . . . . . . . 5009 1 907 . 1 1 71 71 TRP CA C 13 60.362 . . . . . . . . . . . 5009 1 908 . 1 1 71 71 TRP CB C 13 28.278 . . . . . . . . . . . 5009 1 909 . 1 1 71 71 TRP CZ2 C 13 115.430 . . . . . . . . . . . 5009 1 910 . 1 1 71 71 TRP CH2 C 13 124.135 . . . . . . . . . . . 5009 1 911 . 1 1 71 71 TRP N N 15 115.800 . . . . . . . . . . . 5009 1 912 . 1 1 71 71 TRP NE1 N 15 130.665 . . . . . . . . . . . 5009 1 913 . 1 1 72 72 ARG H H 1 8.440 . . . . . . . . . . . 5009 1 914 . 1 1 72 72 ARG HA H 1 4.801 . . . . . . . . . . . 5009 1 915 . 1 1 72 72 ARG HB2 H 1 1.628 . . . . . . . . . . . 5009 1 916 . 1 1 72 72 ARG HB3 H 1 1.482 . . . . . . . . . . . 5009 1 917 . 1 1 72 72 ARG HG2 H 1 0.971 . . . . . . . . . . . 5009 1 918 . 1 1 72 72 ARG HG3 H 1 0.867 . . . . . . . . . . . 5009 1 919 . 1 1 72 72 ARG HD2 H 1 3.157 . . . . . . . . . . . 5009 1 920 . 1 1 72 72 ARG HD3 H 1 2.806 . . . . . . . . . . . 5009 1 921 . 1 1 72 72 ARG C C 13 181.660 . . . . . . . . . . . 5009 1 922 . 1 1 72 72 ARG CA C 13 60.266 . . . . . . . . . . . 5009 1 923 . 1 1 72 72 ARG CB C 13 29.325 . . . . . . . . . . . 5009 1 924 . 1 1 72 72 ARG CG C 13 29.717 . . . . . . . . . . . 5009 1 925 . 1 1 72 72 ARG CD C 13 43.046 . . . . . . . . . . . 5009 1 926 . 1 1 72 72 ARG N N 15 122.820 . . . . . . . . . . . 5009 1 927 . 1 1 73 73 GLY H H 1 7.420 . . . . . . . . . . . 5009 1 928 . 1 1 73 73 GLY HA2 H 1 4.008 . . . . . . . . . . . 5009 1 929 . 1 1 73 73 GLY HA3 H 1 4.008 . . . . . . . . . . . 5009 1 930 . 1 1 73 73 GLY C C 13 174.206 . . . . . . . . . . . 5009 1 931 . 1 1 73 73 GLY CA C 13 45.414 . . . . . . . . . . . 5009 1 932 . 1 1 73 73 GLY N N 15 107.840 . . . . . . . . . . . 5009 1 933 . 1 1 74 74 LEU H H 1 7.180 . . . . . . . . . . . 5009 1 934 . 1 1 74 74 LEU HA H 1 4.215 . . . . . . . . . . . 5009 1 935 . 1 1 74 74 LEU HB2 H 1 2.161 . . . . . . . . . . . 5009 1 936 . 1 1 74 74 LEU HB3 H 1 1.660 . . . . . . . . . . . 5009 1 937 . 1 1 74 74 LEU HG H 1 2.161 . . . . . . . . . . . 5009 1 938 . 1 1 74 74 LEU HD11 H 1 0.837 . . . . . . . . . . . 5009 1 939 . 1 1 74 74 LEU HD12 H 1 0.837 . . . . . . . . . . . 5009 1 940 . 1 1 74 74 LEU HD13 H 1 0.837 . . . . . . . . . . . 5009 1 941 . 1 1 74 74 LEU HD21 H 1 0.808 . . . . . . . . . . . 5009 1 942 . 1 1 74 74 LEU HD22 H 1 0.808 . . . . . . . . . . . 5009 1 943 . 1 1 74 74 LEU HD23 H 1 0.808 . . . . . . . . . . . 5009 1 944 . 1 1 74 74 LEU C C 13 174.421 . . . . . . . . . . . 5009 1 945 . 1 1 74 74 LEU CA C 13 55.154 . . . . . . . . . . . 5009 1 946 . 1 1 74 74 LEU CB C 13 42.669 . . . . . . . . . . . 5009 1 947 . 1 1 74 74 LEU CG C 13 27.235 . . . . . . . . . . . 5009 1 948 . 1 1 74 74 LEU CD1 C 13 26.045 . . . . . . . . . . . 5009 1 949 . 1 1 74 74 LEU CD2 C 13 23.899 . . . . . . . . . . . 5009 1 950 . 1 1 74 74 LEU N N 15 116.480 . . . . . . . . . . . 5009 1 951 . 1 1 75 75 GLY H H 1 7.470 . . . . . . . . . . . 5009 1 952 . 1 1 75 75 GLY HA2 H 1 4.450 . . . . . . . . . . . 5009 1 953 . 1 1 75 75 GLY HA3 H 1 3.622 . . . . . . . . . . . 5009 1 954 . 1 1 75 75 GLY C C 13 174.501 . . . . . . . . . . . 5009 1 955 . 1 1 75 75 GLY CA C 13 44.278 . . . . . . . . . . . 5009 1 956 . 1 1 75 75 GLY N N 15 98.890 . . . . . . . . . . . 5009 1 957 . 1 1 76 76 ILE H H 1 7.190 . . . . . . . . . . . 5009 1 958 . 1 1 76 76 ILE HA H 1 4.155 . . . . . . . . . . . 5009 1 959 . 1 1 76 76 ILE HB H 1 2.306 . . . . . . . . . . . 5009 1 960 . 1 1 76 76 ILE HG12 H 1 1.777 . . . . . . . . . . . 5009 1 961 . 1 1 76 76 ILE HG13 H 1 0.905 . . . . . . . . . . . 5009 1 962 . 1 1 76 76 ILE HG21 H 1 0.690 . . . . . . . . . . . 5009 1 963 . 1 1 76 76 ILE HG22 H 1 0.690 . . . . . . . . . . . 5009 1 964 . 1 1 76 76 ILE HG23 H 1 0.690 . . . . . . . . . . . 5009 1 965 . 1 1 76 76 ILE HD11 H 1 1.071 . . . . . . . . . . . 5009 1 966 . 1 1 76 76 ILE HD12 H 1 1.071 . . . . . . . . . . . 5009 1 967 . 1 1 76 76 ILE HD13 H 1 1.071 . . . . . . . . . . . 5009 1 968 . 1 1 76 76 ILE C C 13 175.251 . . . . . . . . . . . 5009 1 969 . 1 1 76 76 ILE CA C 13 62.170 . . . . . . . . . . . 5009 1 970 . 1 1 76 76 ILE CB C 13 38.234 . . . . . . . . . . . 5009 1 971 . 1 1 76 76 ILE CG1 C 13 28.670 . . . . . . . . . . . 5009 1 972 . 1 1 76 76 ILE CG2 C 13 18.670 . . . . . . . . . . . 5009 1 973 . 1 1 76 76 ILE CD1 C 13 14.687 . . . . . . . . . . . 5009 1 974 . 1 1 76 76 ILE N N 15 120.700 . . . . . . . . . . . 5009 1 975 . 1 1 77 77 THR H H 1 8.780 . . . . . . . . . . . 5009 1 976 . 1 1 77 77 THR HA H 1 4.684 . . . . . . . . . . . 5009 1 977 . 1 1 77 77 THR HB H 1 4.007 . . . . . . . . . . . 5009 1 978 . 1 1 77 77 THR HG21 H 1 1.160 . . . . . . . . . . . 5009 1 979 . 1 1 77 77 THR HG22 H 1 1.160 . . . . . . . . . . . 5009 1 980 . 1 1 77 77 THR HG23 H 1 1.160 . . . . . . . . . . . 5009 1 981 . 1 1 77 77 THR C C 13 172.766 . . . . . . . . . . . 5009 1 982 . 1 1 77 77 THR CA C 13 61.121 . . . . . . . . . . . 5009 1 983 . 1 1 77 77 THR CB C 13 69.960 . . . . . . . . . . . 5009 1 984 . 1 1 77 77 THR CG2 C 13 20.719 . . . . . . . . . . . 5009 1 985 . 1 1 77 77 THR N N 15 123.760 . . . . . . . . . . . 5009 1 986 . 1 1 78 78 GLN H H 1 7.320 . . . . . . . . . . . 5009 1 987 . 1 1 78 78 GLN HA H 1 4.566 . . . . . . . . . . . 5009 1 988 . 1 1 78 78 GLN HB2 H 1 1.955 . . . . . . . . . . . 5009 1 989 . 1 1 78 78 GLN HB3 H 1 1.836 . . . . . . . . . . . 5009 1 990 . 1 1 78 78 GLN HG2 H 1 1.687 . . . . . . . . . . . 5009 1 991 . 1 1 78 78 GLN HG3 H 1 1.687 . . . . . . . . . . . 5009 1 992 . 1 1 78 78 GLN HE21 H 1 7.548 . . . . . . . . . . . 5009 1 993 . 1 1 78 78 GLN HE22 H 1 6.891 . . . . . . . . . . . 5009 1 994 . 1 1 78 78 GLN C C 13 175.071 . . . . . . . . . . . 5009 1 995 . 1 1 78 78 GLN CA C 13 53.967 . . . . . . . . . . . 5009 1 996 . 1 1 78 78 GLN CB C 13 31.590 . . . . . . . . . . . 5009 1 997 . 1 1 78 78 GLN CG C 13 32.276 . . . . . . . . . . . 5009 1 998 . 1 1 78 78 GLN N N 15 118.960 . . . . . . . . . . . 5009 1 999 . 1 1 78 78 GLN NE2 N 15 112.902 . . . . . . . . . . . 5009 1 1000 . 1 1 79 79 SER H H 1 9.180 . . . . . . . . . . . 5009 1 1001 . 1 1 79 79 SER HA H 1 4.520 . . . . . . . . . . . 5009 1 1002 . 1 1 79 79 SER HB2 H 1 4.214 . . . . . . . . . . . 5009 1 1003 . 1 1 79 79 SER HB3 H 1 4.214 . . . . . . . . . . . 5009 1 1004 . 1 1 79 79 SER C C 13 173.400 . . . . . . . . . . . 5009 1 1005 . 1 1 79 79 SER CA C 13 59.447 . . . . . . . . . . . 5009 1 1006 . 1 1 79 79 SER CB C 13 64.020 . . . . . . . . . . . 5009 1 1007 . 1 1 79 79 SER N N 15 117.110 . . . . . . . . . . . 5009 1 1008 . 1 1 80 80 LEU H H 1 8.120 . . . . . . . . . . . 5009 1 1009 . 1 1 80 80 LEU HA H 1 4.310 . . . . . . . . . . . 5009 1 1010 . 1 1 80 80 LEU HB2 H 1 1.777 . . . . . . . . . . . 5009 1 1011 . 1 1 80 80 LEU HB3 H 1 1.650 . . . . . . . . . . . 5009 1 1012 . 1 1 80 80 LEU HG H 1 1.803 . . . . . . . . . . . 5009 1 1013 . 1 1 80 80 LEU HD11 H 1 1.013 . . . . . . . . . . . 5009 1 1014 . 1 1 80 80 LEU HD12 H 1 1.013 . . . . . . . . . . . 5009 1 1015 . 1 1 80 80 LEU HD13 H 1 1.013 . . . . . . . . . . . 5009 1 1016 . 1 1 80 80 LEU HD21 H 1 0.984 . . . . . . . . . . . 5009 1 1017 . 1 1 80 80 LEU HD22 H 1 0.984 . . . . . . . . . . . 5009 1 1018 . 1 1 80 80 LEU HD23 H 1 0.984 . . . . . . . . . . . 5009 1 1019 . 1 1 80 80 LEU C C 13 177.596 . . . . . . . . . . . 5009 1 1020 . 1 1 80 80 LEU CA C 13 56.540 . . . . . . . . . . . 5009 1 1021 . 1 1 80 80 LEU CB C 13 42.347 . . . . . . . . . . . 5009 1 1022 . 1 1 80 80 LEU CG C 13 27.391 . . . . . . . . . . . 5009 1 1023 . 1 1 80 80 LEU CD1 C 13 25.121 . . . . . . . . . . . 5009 1 1024 . 1 1 80 80 LEU CD2 C 13 23.653 . . . . . . . . . . . 5009 1 1025 . 1 1 80 80 LEU N N 15 119.000 . . . . . . . . . . . 5009 1 1026 . 1 1 81 81 GLY H H 1 8.800 . . . . . . . . . . . 5009 1 1027 . 1 1 81 81 GLY HA2 H 1 3.361 . . . . . . . . . . . 5009 1 1028 . 1 1 81 81 GLY HA3 H 1 3.317 . . . . . . . . . . . 5009 1 1029 . 1 1 81 81 GLY C C 13 174.615 . . . . . . . . . . . 5009 1 1030 . 1 1 81 81 GLY CA C 13 44.820 . . . . . . . . . . . 5009 1 1031 . 1 1 81 81 GLY N N 15 110.030 . . . . . . . . . . . 5009 1 1032 . 1 1 82 82 TRP H H 1 7.070 . . . . . . . . . . . 5009 1 1033 . 1 1 82 82 TRP HA H 1 4.437 . . . . . . . . . . . 5009 1 1034 . 1 1 82 82 TRP HB2 H 1 2.898 . . . . . . . . . . . 5009 1 1035 . 1 1 82 82 TRP HB3 H 1 2.898 . . . . . . . . . . . 5009 1 1036 . 1 1 82 82 TRP HD1 H 1 7.539 . . . . . . . . . . . 5009 1 1037 . 1 1 82 82 TRP HE1 H 1 10.164 . . . . . . . . . . . 5009 1 1038 . 1 1 82 82 TRP HZ2 H 1 7.097 . . . . . . . . . . . 5009 1 1039 . 1 1 82 82 TRP HZ3 H 1 6.741 . . . . . . . . . . . 5009 1 1040 . 1 1 82 82 TRP HH2 H 1 6.628 . . . . . . . . . . . 5009 1 1041 . 1 1 82 82 TRP C C 13 176.410 . . . . . . . . . . . 5009 1 1042 . 1 1 82 82 TRP CA C 13 58.219 . . . . . . . . . . . 5009 1 1043 . 1 1 82 82 TRP CB C 13 31.092 . . . . . . . . . . . 5009 1 1044 . 1 1 82 82 TRP CZ2 C 13 113.875 . . . . . . . . . . . 5009 1 1045 . 1 1 82 82 TRP CZ3 C 13 121.959 . . . . . . . . . . . 5009 1 1046 . 1 1 82 82 TRP CH2 C 13 122.892 . . . . . . . . . . . 5009 1 1047 . 1 1 82 82 TRP N N 15 119.340 . . . . . . . . . . . 5009 1 1048 . 1 1 82 82 TRP NE1 N 15 130.157 . . . . . . . . . . . 5009 1 1049 . 1 1 83 83 GLU H H 1 9.540 . . . . . . . . . . . 5009 1 1050 . 1 1 83 83 GLU HA H 1 5.184 . . . . . . . . . . . 5009 1 1051 . 1 1 83 83 GLU HB2 H 1 2.218 . . . . . . . . . . . 5009 1 1052 . 1 1 83 83 GLU HB3 H 1 2.129 . . . . . . . . . . . 5009 1 1053 . 1 1 83 83 GLU HG2 H 1 2.452 . . . . . . . . . . . 5009 1 1054 . 1 1 83 83 GLU HG3 H 1 2.379 . . . . . . . . . . . 5009 1 1055 . 1 1 83 83 GLU C C 13 175.776 . . . . . . . . . . . 5009 1 1056 . 1 1 83 83 GLU CA C 13 54.586 . . . . . . . . . . . 5009 1 1057 . 1 1 83 83 GLU CB C 13 32.954 . . . . . . . . . . . 5009 1 1058 . 1 1 83 83 GLU CG C 13 35.799 . . . . . . . . . . . 5009 1 1059 . 1 1 83 83 GLU N N 15 120.640 . . . . . . . . . . . 5009 1 1060 . 1 1 84 84 MET H H 1 9.200 . . . . . . . . . . . 5009 1 1061 . 1 1 84 84 MET HA H 1 3.452 . . . . . . . . . . . 5009 1 1062 . 1 1 84 84 MET HB2 H 1 2.069 . . . . . . . . . . . 5009 1 1063 . 1 1 84 84 MET HB3 H 1 1.181 . . . . . . . . . . . 5009 1 1064 . 1 1 84 84 MET HG2 H 1 1.925 . . . . . . . . . . . 5009 1 1065 . 1 1 84 84 MET HG3 H 1 1.747 . . . . . . . . . . . 5009 1 1066 . 1 1 84 84 MET HE1 H 1 1.881 . . . . . . . . . . . 5009 1 1067 . 1 1 84 84 MET HE2 H 1 1.881 . . . . . . . . . . . 5009 1 1068 . 1 1 84 84 MET HE3 H 1 1.881 . . . . . . . . . . . 5009 1 1069 . 1 1 84 84 MET C C 13 175.100 . . . . . . . . . . . 5009 1 1070 . 1 1 84 84 MET CA C 13 56.847 . . . . . . . . . . . 5009 1 1071 . 1 1 84 84 MET CB C 13 31.690 . . . . . . . . . . . 5009 1 1072 . 1 1 84 84 MET CG C 13 33.672 . . . . . . . . . . . 5009 1 1073 . 1 1 84 84 MET CE C 13 20.381 . . . . . . . . . . . 5009 1 1074 . 1 1 84 84 MET N N 15 126.800 . . . . . . . . . . . 5009 1 1075 . 1 1 85 85 TYR H H 1 8.750 . . . . . . . . . . . 5009 1 1076 . 1 1 85 85 TYR HA H 1 5.066 . . . . . . . . . . . 5009 1 1077 . 1 1 85 85 TYR HB2 H 1 3.187 . . . . . . . . . . . 5009 1 1078 . 1 1 85 85 TYR HB3 H 1 2.632 . . . . . . . . . . . 5009 1 1079 . 1 1 85 85 TYR HD1 H 1 7.024 . . . . . . . . . . . 5009 1 1080 . 1 1 85 85 TYR HD2 H 1 7.024 . . . . . . . . . . . 5009 1 1081 . 1 1 85 85 TYR HE1 H 1 6.776 . . . . . . . . . . . 5009 1 1082 . 1 1 85 85 TYR HE2 H 1 6.776 . . . . . . . . . . . 5009 1 1083 . 1 1 85 85 TYR C C 13 173.400 . . . . . . . . . . . 5009 1 1084 . 1 1 85 85 TYR CA C 13 56.858 . . . . . . . . . . . 5009 1 1085 . 1 1 85 85 TYR CB C 13 41.448 . . . . . . . . . . . 5009 1 1086 . 1 1 85 85 TYR CD1 C 13 133.463 . . . . . . . . . . . 5009 1 1087 . 1 1 85 85 TYR CD2 C 13 133.463 . . . . . . . . . . . 5009 1 1088 . 1 1 85 85 TYR CE1 C 13 118.228 . . . . . . . . . . . 5009 1 1089 . 1 1 85 85 TYR CE2 C 13 118.228 . . . . . . . . . . . 5009 1 1090 . 1 1 85 85 TYR N N 15 122.890 . . . . . . . . . . . 5009 1 1091 . 1 1 86 86 GLU H H 1 7.120 . . . . . . . . . . . 5009 1 1092 . 1 1 86 86 GLU HA H 1 4.380 . . . . . . . . . . . 5009 1 1093 . 1 1 86 86 GLU HB2 H 1 1.600 . . . . . . . . . . . 5009 1 1094 . 1 1 86 86 GLU HB3 H 1 1.364 . . . . . . . . . . . 5009 1 1095 . 1 1 86 86 GLU HG2 H 1 1.983 . . . . . . . . . . . 5009 1 1096 . 1 1 86 86 GLU HG3 H 1 1.983 . . . . . . . . . . . 5009 1 1097 . 1 1 86 86 GLU C C 13 173.150 . . . . . . . . . . . 5009 1 1098 . 1 1 86 86 GLU CA C 13 56.281 . . . . . . . . . . . 5009 1 1099 . 1 1 86 86 GLU CB C 13 34.628 . . . . . . . . . . . 5009 1 1100 . 1 1 86 86 GLU CG C 13 36.911 . . . . . . . . . . . 5009 1 1101 . 1 1 86 86 GLU N N 15 120.160 . . . . . . . . . . . 5009 1 1102 . 1 1 87 87 VAL H H 1 8.110 . . . . . . . . . . . 5009 1 1103 . 1 1 87 87 VAL HA H 1 4.107 . . . . . . . . . . . 5009 1 1104 . 1 1 87 87 VAL HB H 1 1.894 . . . . . . . . . . . 5009 1 1105 . 1 1 87 87 VAL HG11 H 1 0.908 . . . . . . . . . . . 5009 1 1106 . 1 1 87 87 VAL HG12 H 1 0.908 . . . . . . . . . . . 5009 1 1107 . 1 1 87 87 VAL HG13 H 1 0.908 . . . . . . . . . . . 5009 1 1108 . 1 1 87 87 VAL HG21 H 1 0.808 . . . . . . . . . . . 5009 1 1109 . 1 1 87 87 VAL HG22 H 1 0.808 . . . . . . . . . . . 5009 1 1110 . 1 1 87 87 VAL HG23 H 1 0.808 . . . . . . . . . . . 5009 1 1111 . 1 1 87 87 VAL C C 13 174.701 . . . . . . . . . . . 5009 1 1112 . 1 1 87 87 VAL CA C 13 62.017 . . . . . . . . . . . 5009 1 1113 . 1 1 87 87 VAL CB C 13 34.486 . . . . . . . . . . . 5009 1 1114 . 1 1 87 87 VAL CG1 C 13 21.100 . . . . . . . . . . . 5009 1 1115 . 1 1 87 87 VAL CG2 C 13 21.779 . . . . . . . . . . . 5009 1 1116 . 1 1 87 87 VAL N N 15 119.960 . . . . . . . . . . . 5009 1 1117 . 1 1 88 88 HIS H H 1 9.290 . . . . . . . . . . . 5009 1 1118 . 1 1 88 88 HIS HA H 1 4.689 . . . . . . . . . . . 5009 1 1119 . 1 1 88 88 HIS HB2 H 1 3.333 . . . . . . . . . . . 5009 1 1120 . 1 1 88 88 HIS HB3 H 1 2.894 . . . . . . . . . . . 5009 1 1121 . 1 1 88 88 HIS HD2 H 1 6.965 . . . . . . . . . . . 5009 1 1122 . 1 1 88 88 HIS HE1 H 1 7.982 . . . . . . . . . . . 5009 1 1123 . 1 1 88 88 HIS C C 13 176.431 . . . . . . . . . . . 5009 1 1124 . 1 1 88 88 HIS CA C 13 55.734 . . . . . . . . . . . 5009 1 1125 . 1 1 88 88 HIS CB C 13 30.994 . . . . . . . . . . . 5009 1 1126 . 1 1 88 88 HIS CD2 C 13 118.538 . . . . . . . . . . . 5009 1 1127 . 1 1 88 88 HIS N N 15 126.830 . . . . . . . . . . . 5009 1 1128 . 1 1 89 89 VAL H H 1 8.390 . . . . . . . . . . . 5009 1 1129 . 1 1 89 89 VAL HA H 1 3.656 . . . . . . . . . . . 5009 1 1130 . 1 1 89 89 VAL HB H 1 2.091 . . . . . . . . . . . 5009 1 1131 . 1 1 89 89 VAL HG11 H 1 1.072 . . . . . . . . . . . 5009 1 1132 . 1 1 89 89 VAL HG12 H 1 1.072 . . . . . . . . . . . 5009 1 1133 . 1 1 89 89 VAL HG13 H 1 1.072 . . . . . . . . . . . 5009 1 1134 . 1 1 89 89 VAL HG21 H 1 0.991 . . . . . . . . . . . 5009 1 1135 . 1 1 89 89 VAL HG22 H 1 0.991 . . . . . . . . . . . 5009 1 1136 . 1 1 89 89 VAL HG23 H 1 0.991 . . . . . . . . . . . 5009 1 1137 . 1 1 89 89 VAL C C 13 176.391 . . . . . . . . . . . 5009 1 1138 . 1 1 89 89 VAL CA C 13 65.212 . . . . . . . . . . . 5009 1 1139 . 1 1 89 89 VAL CB C 13 31.989 . . . . . . . . . . . 5009 1 1140 . 1 1 89 89 VAL CG1 C 13 21.516 . . . . . . . . . . . 5009 1 1141 . 1 1 89 89 VAL CG2 C 13 20.636 . . . . . . . . . . . 5009 1 1142 . 1 1 89 89 VAL N N 15 123.530 . . . . . . . . . . . 5009 1 1143 . 1 1 90 90 ALA H H 1 8.815 . . . . . . . . . . . 5009 1 1144 . 1 1 90 90 ALA HA H 1 4.367 . . . . . . . . . . . 5009 1 1145 . 1 1 90 90 ALA HB1 H 1 1.512 . . . . . . . . . . . 5009 1 1146 . 1 1 90 90 ALA HB2 H 1 1.512 . . . . . . . . . . . 5009 1 1147 . 1 1 90 90 ALA HB3 H 1 1.512 . . . . . . . . . . . 5009 1 1148 . 1 1 90 90 ALA C C 13 178.320 . . . . . . . . . . . 5009 1 1149 . 1 1 90 90 ALA CA C 13 53.347 . . . . . . . . . . . 5009 1 1150 . 1 1 90 90 ALA CB C 13 19.732 . . . . . . . . . . . 5009 1 1151 . 1 1 90 90 ALA N N 15 120.658 . . . . . . . . . . . 5009 1 1152 . 1 1 91 91 GLU H H 1 7.500 . . . . . . . . . . . 5009 1 1153 . 1 1 91 91 GLU HA H 1 5.010 . . . . . . . . . . . 5009 1 1154 . 1 1 91 91 GLU HB2 H 1 1.796 . . . . . . . . . . . 5009 1 1155 . 1 1 91 91 GLU HB3 H 1 1.731 . . . . . . . . . . . 5009 1 1156 . 1 1 91 91 GLU HG2 H 1 2.154 . . . . . . . . . . . 5009 1 1157 . 1 1 91 91 GLU HG3 H 1 2.154 . . . . . . . . . . . 5009 1 1158 . 1 1 91 91 GLU C C 13 173.870 . . . . . . . . . . . 5009 1 1159 . 1 1 91 91 GLU CA C 13 53.171 . . . . . . . . . . . 5009 1 1160 . 1 1 91 91 GLU CB C 13 31.193 . . . . . . . . . . . 5009 1 1161 . 1 1 91 91 GLU CG C 13 35.221 . . . . . . . . . . . 5009 1 1162 . 1 1 91 91 GLU N N 15 114.920 . . . . . . . . . . . 5009 1 1163 . 1 1 92 92 PRO HA H 1 4.463 . . . . . . . . . . . 5009 1 1164 . 1 1 92 92 PRO HB2 H 1 2.345 . . . . . . . . . . . 5009 1 1165 . 1 1 92 92 PRO HB3 H 1 2.218 . . . . . . . . . . . 5009 1 1166 . 1 1 92 92 PRO HG2 H 1 2.129 . . . . . . . . . . . 5009 1 1167 . 1 1 92 92 PRO HG3 H 1 1.983 . . . . . . . . . . . 5009 1 1168 . 1 1 92 92 PRO HD2 H 1 3.940 . . . . . . . . . . . 5009 1 1169 . 1 1 92 92 PRO HD3 H 1 3.682 . . . . . . . . . . . 5009 1 1170 . 1 1 92 92 PRO C C 13 174.001 . . . . . . . . . . . 5009 1 1171 . 1 1 92 92 PRO CA C 13 64.826 . . . . . . . . . . . 5009 1 1172 . 1 1 92 92 PRO CB C 13 32.195 . . . . . . . . . . . 5009 1 1173 . 1 1 92 92 PRO CG C 13 27.244 . . . . . . . . . . . 5009 1 1174 . 1 1 92 92 PRO CD C 13 49.996 . . . . . . . . . . . 5009 1 1175 . 1 1 92 92 PRO N N 15 135.660 . . . . . . . . . . . 5009 1 1176 . 1 1 93 93 HIS H H 1 9.020 . . . . . . . . . . . 5009 1 1177 . 1 1 93 93 HIS HA H 1 4.565 . . . . . . . . . . . 5009 1 1178 . 1 1 93 93 HIS HB2 H 1 3.907 . . . . . . . . . . . 5009 1 1179 . 1 1 93 93 HIS HB3 H 1 2.528 . . . . . . . . . . . 5009 1 1180 . 1 1 93 93 HIS HD2 H 1 7.148 . . . . . . . . . . . 5009 1 1181 . 1 1 93 93 HIS HE1 H 1 7.995 . . . . . . . . . . . 5009 1 1182 . 1 1 93 93 HIS C C 13 172.891 . . . . . . . . . . . 5009 1 1183 . 1 1 93 93 HIS CA C 13 55.684 . . . . . . . . . . . 5009 1 1184 . 1 1 93 93 HIS CB C 13 29.833 . . . . . . . . . . . 5009 1 1185 . 1 1 93 93 HIS N N 15 114.040 . . . . . . . . . . . 5009 1 1186 . 1 1 94 94 ILE H H 1 7.520 . . . . . . . . . . . 5009 1 1187 . 1 1 94 94 ILE HA H 1 4.598 . . . . . . . . . . . 5009 1 1188 . 1 1 94 94 ILE HB H 1 1.680 . . . . . . . . . . . 5009 1 1189 . 1 1 94 94 ILE HG12 H 1 0.436 . . . . . . . . . . . 5009 1 1190 . 1 1 94 94 ILE HG13 H 1 0.203 . . . . . . . . . . . 5009 1 1191 . 1 1 94 94 ILE HG21 H 1 0.568 . . . . . . . . . . . 5009 1 1192 . 1 1 94 94 ILE HG22 H 1 0.568 . . . . . . . . . . . 5009 1 1193 . 1 1 94 94 ILE HG23 H 1 0.568 . . . . . . . . . . . 5009 1 1194 . 1 1 94 94 ILE HD11 H 1 0.544 . . . . . . . . . . . 5009 1 1195 . 1 1 94 94 ILE HD12 H 1 0.544 . . . . . . . . . . . 5009 1 1196 . 1 1 94 94 ILE HD13 H 1 0.544 . . . . . . . . . . . 5009 1 1197 . 1 1 94 94 ILE C C 13 173.906 . . . . . . . . . . . 5009 1 1198 . 1 1 94 94 ILE CA C 13 61.376 . . . . . . . . . . . 5009 1 1199 . 1 1 94 94 ILE CB C 13 37.380 . . . . . . . . . . . 5009 1 1200 . 1 1 94 94 ILE CG1 C 13 26.977 . . . . . . . . . . . 5009 1 1201 . 1 1 94 94 ILE CG2 C 13 17.249 . . . . . . . . . . . 5009 1 1202 . 1 1 94 94 ILE CD1 C 13 12.923 . . . . . . . . . . . 5009 1 1203 . 1 1 94 94 ILE N N 15 120.360 . . . . . . . . . . . 5009 1 1204 . 1 1 95 95 LEU H H 1 9.340 . . . . . . . . . . . 5009 1 1205 . 1 1 95 95 LEU HA H 1 4.579 . . . . . . . . . . . 5009 1 1206 . 1 1 95 95 LEU HB2 H 1 1.844 . . . . . . . . . . . 5009 1 1207 . 1 1 95 95 LEU HB3 H 1 1.293 . . . . . . . . . . . 5009 1 1208 . 1 1 95 95 LEU HG H 1 1.699 . . . . . . . . . . . 5009 1 1209 . 1 1 95 95 LEU HD11 H 1 0.837 . . . . . . . . . . . 5009 1 1210 . 1 1 95 95 LEU HD12 H 1 0.837 . . . . . . . . . . . 5009 1 1211 . 1 1 95 95 LEU HD13 H 1 0.837 . . . . . . . . . . . 5009 1 1212 . 1 1 95 95 LEU HD21 H 1 0.778 . . . . . . . . . . . 5009 1 1213 . 1 1 95 95 LEU HD22 H 1 0.778 . . . . . . . . . . . 5009 1 1214 . 1 1 95 95 LEU HD23 H 1 0.778 . . . . . . . . . . . 5009 1 1215 . 1 1 95 95 LEU C C 13 175.305 . . . . . . . . . . . 5009 1 1216 . 1 1 95 95 LEU CA C 13 54.397 . . . . . . . . . . . 5009 1 1217 . 1 1 95 95 LEU CB C 13 44.534 . . . . . . . . . . . 5009 1 1218 . 1 1 95 95 LEU CG C 13 29.456 . . . . . . . . . . . 5009 1 1219 . 1 1 95 95 LEU CD1 C 13 24.647 . . . . . . . . . . . 5009 1 1220 . 1 1 95 95 LEU CD2 C 13 24.939 . . . . . . . . . . . 5009 1 1221 . 1 1 95 95 LEU N N 15 128.380 . . . . . . . . . . . 5009 1 1222 . 1 1 96 96 LEU H H 1 8.330 . . . . . . . . . . . 5009 1 1223 . 1 1 96 96 LEU HA H 1 4.890 . . . . . . . . . . . 5009 1 1224 . 1 1 96 96 LEU HB2 H 1 1.455 . . . . . . . . . . . 5009 1 1225 . 1 1 96 96 LEU HB3 H 1 1.073 . . . . . . . . . . . 5009 1 1226 . 1 1 96 96 LEU HG H 1 1.291 . . . . . . . . . . . 5009 1 1227 . 1 1 96 96 LEU HD11 H 1 0.631 . . . . . . . . . . . 5009 1 1228 . 1 1 96 96 LEU HD12 H 1 0.631 . . . . . . . . . . . 5009 1 1229 . 1 1 96 96 LEU HD13 H 1 0.631 . . . . . . . . . . . 5009 1 1230 . 1 1 96 96 LEU HD21 H 1 0.516 . . . . . . . . . . . 5009 1 1231 . 1 1 96 96 LEU HD22 H 1 0.516 . . . . . . . . . . . 5009 1 1232 . 1 1 96 96 LEU HD23 H 1 0.516 . . . . . . . . . . . 5009 1 1233 . 1 1 96 96 LEU C C 13 175.336 . . . . . . . . . . . 5009 1 1234 . 1 1 96 96 LEU CA C 13 55.747 . . . . . . . . . . . 5009 1 1235 . 1 1 96 96 LEU CB C 13 41.418 . . . . . . . . . . . 5009 1 1236 . 1 1 96 96 LEU CG C 13 28.890 . . . . . . . . . . . 5009 1 1237 . 1 1 96 96 LEU CD1 C 13 25.191 . . . . . . . . . . . 5009 1 1238 . 1 1 96 96 LEU CD2 C 13 24.201 . . . . . . . . . . . 5009 1 1239 . 1 1 96 96 LEU N N 15 123.080 . . . . . . . . . . . 5009 1 1240 . 1 1 97 97 PHE H H 1 9.090 . . . . . . . . . . . 5009 1 1241 . 1 1 97 97 PHE HA H 1 5.655 . . . . . . . . . . . 5009 1 1242 . 1 1 97 97 PHE HB2 H 1 3.004 . . . . . . . . . . . 5009 1 1243 . 1 1 97 97 PHE HB3 H 1 2.777 . . . . . . . . . . . 5009 1 1244 . 1 1 97 97 PHE HD1 H 1 6.750 . . . . . . . . . . . 5009 1 1245 . 1 1 97 97 PHE HD2 H 1 6.750 . . . . . . . . . . . 5009 1 1246 . 1 1 97 97 PHE HE1 H 1 5.877 . . . . . . . . . . . 5009 1 1247 . 1 1 97 97 PHE HE2 H 1 5.877 . . . . . . . . . . . 5009 1 1248 . 1 1 97 97 PHE HZ H 1 6.125 . . . . . . . . . . . 5009 1 1249 . 1 1 97 97 PHE C C 13 174.941 . . . . . . . . . . . 5009 1 1250 . 1 1 97 97 PHE CA C 13 56.633 . . . . . . . . . . . 5009 1 1251 . 1 1 97 97 PHE CB C 13 43.948 . . . . . . . . . . . 5009 1 1252 . 1 1 97 97 PHE CD1 C 13 131.442 . . . . . . . . . . . 5009 1 1253 . 1 1 97 97 PHE CD2 C 13 131.442 . . . . . . . . . . . 5009 1 1254 . 1 1 97 97 PHE CE1 C 13 130.665 . . . . . . . . . . . 5009 1 1255 . 1 1 97 97 PHE CE2 C 13 130.665 . . . . . . . . . . . 5009 1 1256 . 1 1 97 97 PHE CZ C 13 127.867 . . . . . . . . . . . 5009 1 1257 . 1 1 97 97 PHE N N 15 122.270 . . . . . . . . . . . 5009 1 1258 . 1 1 98 98 LYS H H 1 9.580 . . . . . . . . . . . 5009 1 1259 . 1 1 98 98 LYS HA H 1 6.007 . . . . . . . . . . . 5009 1 1260 . 1 1 98 98 LYS HB2 H 1 1.474 . . . . . . . . . . . 5009 1 1261 . 1 1 98 98 LYS HB3 H 1 1.204 . . . . . . . . . . . 5009 1 1262 . 1 1 98 98 LYS HG2 H 1 0.989 . . . . . . . . . . . 5009 1 1263 . 1 1 98 98 LYS HG3 H 1 0.798 . . . . . . . . . . . 5009 1 1264 . 1 1 98 98 LYS HD2 H 1 0.161 . . . . . . . . . . . 5009 1 1265 . 1 1 98 98 LYS HD3 H 1 -0.014 . . . . . . . . . . . 5009 1 1266 . 1 1 98 98 LYS HE2 H 1 2.041 . . . . . . . . . . . 5009 1 1267 . 1 1 98 98 LYS HE3 H 1 2.041 . . . . . . . . . . . 5009 1 1268 . 1 1 98 98 LYS C C 13 174.461 . . . . . . . . . . . 5009 1 1269 . 1 1 98 98 LYS CA C 13 54.592 . . . . . . . . . . . 5009 1 1270 . 1 1 98 98 LYS CB C 13 37.754 . . . . . . . . . . . 5009 1 1271 . 1 1 98 98 LYS CG C 13 23.201 . . . . . . . . . . . 5009 1 1272 . 1 1 98 98 LYS CD C 13 28.954 . . . . . . . . . . . 5009 1 1273 . 1 1 98 98 LYS CE C 13 41.535 . . . . . . . . . . . 5009 1 1274 . 1 1 98 98 LYS N N 15 117.910 . . . . . . . . . . . 5009 1 1275 . 1 1 99 99 ARG H H 1 8.800 . . . . . . . . . . . 5009 1 1276 . 1 1 99 99 ARG HA H 1 4.539 . . . . . . . . . . . 5009 1 1277 . 1 1 99 99 ARG HB2 H 1 0.680 . . . . . . . . . . . 5009 1 1278 . 1 1 99 99 ARG HB3 H 1 0.363 . . . . . . . . . . . 5009 1 1279 . 1 1 99 99 ARG HG2 H 1 0.736 . . . . . . . . . . . 5009 1 1280 . 1 1 99 99 ARG HG3 H 1 0.580 . . . . . . . . . . . 5009 1 1281 . 1 1 99 99 ARG HD2 H 1 2.665 . . . . . . . . . . . 5009 1 1282 . 1 1 99 99 ARG HD3 H 1 2.509 . . . . . . . . . . . 5009 1 1283 . 1 1 99 99 ARG C C 13 174.570 . . . . . . . . . . . 5009 1 1284 . 1 1 99 99 ARG CA C 13 55.142 . . . . . . . . . . . 5009 1 1285 . 1 1 99 99 ARG CB C 13 33.474 . . . . . . . . . . . 5009 1 1286 . 1 1 99 99 ARG CG C 13 24.535 . . . . . . . . . . . 5009 1 1287 . 1 1 99 99 ARG CD C 13 43.191 . . . . . . . . . . . 5009 1 1288 . 1 1 99 99 ARG N N 15 120.080 . . . . . . . . . . . 5009 1 1289 . 1 1 100 100 GLU H H 1 9.120 . . . . . . . . . . . 5009 1 1290 . 1 1 100 100 GLU HA H 1 3.890 . . . . . . . . . . . 5009 1 1291 . 1 1 100 100 GLU HB2 H 1 2.039 . . . . . . . . . . . 5009 1 1292 . 1 1 100 100 GLU HB3 H 1 1.953 . . . . . . . . . . . 5009 1 1293 . 1 1 100 100 GLU HG2 H 1 2.315 . . . . . . . . . . . 5009 1 1294 . 1 1 100 100 GLU HG3 H 1 2.315 . . . . . . . . . . . 5009 1 1295 . 1 1 100 100 GLU C C 13 176.900 . . . . . . . . . . . 5009 1 1296 . 1 1 100 100 GLU CA C 13 57.997 . . . . . . . . . . . 5009 1 1297 . 1 1 100 100 GLU CB C 13 30.026 . . . . . . . . . . . 5009 1 1298 . 1 1 100 100 GLU CG C 13 36.911 . . . . . . . . . . . 5009 1 1299 . 1 1 100 100 GLU N N 15 125.900 . . . . . . . . . . . 5009 1 1300 . 1 1 101 101 LYS H H 1 8.000 . . . . . . . . . . . 5009 1 1301 . 1 1 101 101 LYS HA H 1 3.846 . . . . . . . . . . . 5009 1 1302 . 1 1 101 101 LYS HB2 H 1 1.572 . . . . . . . . . . . 5009 1 1303 . 1 1 101 101 LYS HB3 H 1 1.388 . . . . . . . . . . . 5009 1 1304 . 1 1 101 101 LYS HG2 H 1 1.205 . . . . . . . . . . . 5009 1 1305 . 1 1 101 101 LYS HG3 H 1 1.205 . . . . . . . . . . . 5009 1 1306 . 1 1 101 101 LYS HD2 H 1 1.637 . . . . . . . . . . . 5009 1 1307 . 1 1 101 101 LYS HD3 H 1 1.455 . . . . . . . . . . . 5009 1 1308 . 1 1 101 101 LYS HE2 H 1 2.881 . . . . . . . . . . . 5009 1 1309 . 1 1 101 101 LYS HE3 H 1 2.881 . . . . . . . . . . . 5009 1 1310 . 1 1 101 101 LYS C C 13 176.626 . . . . . . . . . . . 5009 1 1311 . 1 1 101 101 LYS CA C 13 58.444 . . . . . . . . . . . 5009 1 1312 . 1 1 101 101 LYS CB C 13 32.368 . . . . . . . . . . . 5009 1 1313 . 1 1 101 101 LYS CG C 13 25.466 . . . . . . . . . . . 5009 1 1314 . 1 1 101 101 LYS CD C 13 29.457 . . . . . . . . . . . 5009 1 1315 . 1 1 101 101 LYS CE C 13 42.053 . . . . . . . . . . . 5009 1 1316 . 1 1 101 101 LYS N N 15 123.150 . . . . . . . . . . . 5009 1 1317 . 1 1 102 102 ASP H H 1 8.520 . . . . . . . . . . . 5009 1 1318 . 1 1 102 102 ASP HA H 1 4.596 . . . . . . . . . . . 5009 1 1319 . 1 1 102 102 ASP HB2 H 1 2.746 . . . . . . . . . . . 5009 1 1320 . 1 1 102 102 ASP HB3 H 1 2.661 . . . . . . . . . . . 5009 1 1321 . 1 1 102 102 ASP C C 13 176.151 . . . . . . . . . . . 5009 1 1322 . 1 1 102 102 ASP CA C 13 54.188 . . . . . . . . . . . 5009 1 1323 . 1 1 102 102 ASP CB C 13 39.746 . . . . . . . . . . . 5009 1 1324 . 1 1 102 102 ASP N N 15 118.530 . . . . . . . . . . . 5009 1 1325 . 1 1 103 103 TYR H H 1 7.580 . . . . . . . . . . . 5009 1 1326 . 1 1 103 103 TYR HA H 1 3.950 . . . . . . . . . . . 5009 1 1327 . 1 1 103 103 TYR HB2 H 1 3.217 . . . . . . . . . . . 5009 1 1328 . 1 1 103 103 TYR HB3 H 1 2.837 . . . . . . . . . . . 5009 1 1329 . 1 1 103 103 TYR HD1 H 1 6.972 . . . . . . . . . . . 5009 1 1330 . 1 1 103 103 TYR HD2 H 1 6.972 . . . . . . . . . . . 5009 1 1331 . 1 1 103 103 TYR HE1 H 1 6.665 . . . . . . . . . . . 5009 1 1332 . 1 1 103 103 TYR HE2 H 1 6.665 . . . . . . . . . . . 5009 1 1333 . 1 1 103 103 TYR C C 13 176.510 . . . . . . . . . . . 5009 1 1334 . 1 1 103 103 TYR CA C 13 61.412 . . . . . . . . . . . 5009 1 1335 . 1 1 103 103 TYR CB C 13 38.655 . . . . . . . . . . . 5009 1 1336 . 1 1 103 103 TYR CD1 C 13 133.152 . . . . . . . . . . . 5009 1 1337 . 1 1 103 103 TYR CD2 C 13 133.152 . . . . . . . . . . . 5009 1 1338 . 1 1 103 103 TYR CE1 C 13 118.539 . . . . . . . . . . . 5009 1 1339 . 1 1 103 103 TYR CE2 C 13 118.539 . . . . . . . . . . . 5009 1 1340 . 1 1 103 103 TYR N N 15 119.570 . . . . . . . . . . . 5009 1 1341 . 1 1 104 104 GLN H H 1 8.460 . . . . . . . . . . . 5009 1 1342 . 1 1 104 104 GLN HA H 1 4.008 . . . . . . . . . . . 5009 1 1343 . 1 1 104 104 GLN HB2 H 1 2.014 . . . . . . . . . . . 5009 1 1344 . 1 1 104 104 GLN HB3 H 1 1.942 . . . . . . . . . . . 5009 1 1345 . 1 1 104 104 GLN HG2 H 1 2.288 . . . . . . . . . . . 5009 1 1346 . 1 1 104 104 GLN HG3 H 1 2.288 . . . . . . . . . . . 5009 1 1347 . 1 1 104 104 GLN HE21 H 1 7.564 . . . . . . . . . . . 5009 1 1348 . 1 1 104 104 GLN HE22 H 1 6.914 . . . . . . . . . . . 5009 1 1349 . 1 1 104 104 GLN C C 13 177.046 . . . . . . . . . . . 5009 1 1350 . 1 1 104 104 GLN CA C 13 57.439 . . . . . . . . . . . 5009 1 1351 . 1 1 104 104 GLN CB C 13 28.909 . . . . . . . . . . . 5009 1 1352 . 1 1 104 104 GLN CG C 13 34.015 . . . . . . . . . . . 5009 1 1353 . 1 1 104 104 GLN N N 15 118.340 . . . . . . . . . . . 5009 1 1354 . 1 1 104 104 GLN NE2 N 15 111.840 . . . . . . . . . . . 5009 1 1355 . 1 1 105 105 MET H H 1 7.910 . . . . . . . . . . . 5009 1 1356 . 1 1 105 105 MET HA H 1 4.302 . . . . . . . . . . . 5009 1 1357 . 1 1 105 105 MET HB2 H 1 2.058 . . . . . . . . . . . 5009 1 1358 . 1 1 105 105 MET HB3 H 1 2.058 . . . . . . . . . . . 5009 1 1359 . 1 1 105 105 MET HG2 H 1 2.599 . . . . . . . . . . . 5009 1 1360 . 1 1 105 105 MET HG3 H 1 2.512 . . . . . . . . . . . 5009 1 1361 . 1 1 105 105 MET HE1 H 1 2.066 . . . . . . . . . . . 5009 1 1362 . 1 1 105 105 MET HE2 H 1 2.066 . . . . . . . . . . . 5009 1 1363 . 1 1 105 105 MET HE3 H 1 2.066 . . . . . . . . . . . 5009 1 1364 . 1 1 105 105 MET C C 13 177.255 . . . . . . . . . . . 5009 1 1365 . 1 1 105 105 MET CA C 13 56.853 . . . . . . . . . . . 5009 1 1366 . 1 1 105 105 MET CB C 13 32.346 . . . . . . . . . . . 5009 1 1367 . 1 1 105 105 MET CG C 13 32.093 . . . . . . . . . . . 5009 1 1368 . 1 1 105 105 MET CE C 13 17.280 . . . . . . . . . . . 5009 1 1369 . 1 1 105 105 MET N N 15 118.750 . . . . . . . . . . . 5009 1 1370 . 1 1 106 106 LYS H H 1 7.850 . . . . . . . . . . . 5009 1 1371 . 1 1 106 106 LYS HA H 1 4.069 . . . . . . . . . . . 5009 1 1372 . 1 1 106 106 LYS HB2 H 1 1.488 . . . . . . . . . . . 5009 1 1373 . 1 1 106 106 LYS HB3 H 1 1.488 . . . . . . . . . . . 5009 1 1374 . 1 1 106 106 LYS HG2 H 1 1.252 . . . . . . . . . . . 5009 1 1375 . 1 1 106 106 LYS HG3 H 1 1.135 . . . . . . . . . . . 5009 1 1376 . 1 1 106 106 LYS HD2 H 1 1.513 . . . . . . . . . . . 5009 1 1377 . 1 1 106 106 LYS HD3 H 1 1.513 . . . . . . . . . . . 5009 1 1378 . 1 1 106 106 LYS HE2 H 1 2.855 . . . . . . . . . . . 5009 1 1379 . 1 1 106 106 LYS HE3 H 1 2.855 . . . . . . . . . . . 5009 1 1380 . 1 1 106 106 LYS C C 13 177.225 . . . . . . . . . . . 5009 1 1381 . 1 1 106 106 LYS CA C 13 57.673 . . . . . . . . . . . 5009 1 1382 . 1 1 106 106 LYS CB C 13 32.760 . . . . . . . . . . . 5009 1 1383 . 1 1 106 106 LYS CG C 13 24.887 . . . . . . . . . . . 5009 1 1384 . 1 1 106 106 LYS CD C 13 29.233 . . . . . . . . . . . 5009 1 1385 . 1 1 106 106 LYS CE C 13 42.077 . . . . . . . . . . . 5009 1 1386 . 1 1 106 106 LYS N N 15 119.880 . . . . . . . . . . . 5009 1 1387 . 1 1 107 107 PHE H H 1 8.020 . . . . . . . . . . . 5009 1 1388 . 1 1 107 107 PHE HA H 1 4.592 . . . . . . . . . . . 5009 1 1389 . 1 1 107 107 PHE HB2 H 1 3.157 . . . . . . . . . . . 5009 1 1390 . 1 1 107 107 PHE HB3 H 1 2.775 . . . . . . . . . . . 5009 1 1391 . 1 1 107 107 PHE HD1 H 1 7.102 . . . . . . . . . . . 5009 1 1392 . 1 1 107 107 PHE HD2 H 1 7.102 . . . . . . . . . . . 5009 1 1393 . 1 1 107 107 PHE HE1 H 1 7.272 . . . . . . . . . . . 5009 1 1394 . 1 1 107 107 PHE HE2 H 1 7.272 . . . . . . . . . . . 5009 1 1395 . 1 1 107 107 PHE HZ H 1 7.272 . . . . . . . . . . . 5009 1 1396 . 1 1 107 107 PHE C C 13 176.311 . . . . . . . . . . . 5009 1 1397 . 1 1 107 107 PHE CA C 13 58.284 . . . . . . . . . . . 5009 1 1398 . 1 1 107 107 PHE CB C 13 39.195 . . . . . . . . . . . 5009 1 1399 . 1 1 107 107 PHE CD1 C 13 131.908 . . . . . . . . . . . 5009 1 1400 . 1 1 107 107 PHE CD2 C 13 131.908 . . . . . . . . . . . 5009 1 1401 . 1 1 107 107 PHE CE1 C 13 131.286 . . . . . . . . . . . 5009 1 1402 . 1 1 107 107 PHE CE2 C 13 131.286 . . . . . . . . . . . 5009 1 1403 . 1 1 107 107 PHE CZ C 13 129.732 . . . . . . . . . . . 5009 1 1404 . 1 1 107 107 PHE N N 15 118.650 . . . . . . . . . . . 5009 1 1405 . 1 1 108 108 SER H H 1 8.010 . . . . . . . . . . . 5009 1 1406 . 1 1 108 108 SER HA H 1 4.402 . . . . . . . . . . . 5009 1 1407 . 1 1 108 108 SER HB2 H 1 3.921 . . . . . . . . . . . 5009 1 1408 . 1 1 108 108 SER HB3 H 1 3.921 . . . . . . . . . . . 5009 1 1409 . 1 1 108 108 SER C C 13 174.861 . . . . . . . . . . . 5009 1 1410 . 1 1 108 108 SER CA C 13 59.141 . . . . . . . . . . . 5009 1 1411 . 1 1 108 108 SER CB C 13 63.697 . . . . . . . . . . . 5009 1 1412 . 1 1 108 108 SER N N 15 115.620 . . . . . . . . . . . 5009 1 1413 . 1 1 109 109 GLN H H 1 8.300 . . . . . . . . . . . 5009 1 1414 . 1 1 109 109 GLN HA H 1 4.333 . . . . . . . . . . . 5009 1 1415 . 1 1 109 109 GLN HB2 H 1 2.158 . . . . . . . . . . . 5009 1 1416 . 1 1 109 109 GLN HB3 H 1 2.031 . . . . . . . . . . . 5009 1 1417 . 1 1 109 109 GLN HG2 H 1 2.410 . . . . . . . . . . . 5009 1 1418 . 1 1 109 109 GLN HG3 H 1 2.410 . . . . . . . . . . . 5009 1 1419 . 1 1 109 109 GLN HE21 H 1 6.880 . . . . . . . . . . . 5009 1 1420 . 1 1 109 109 GLN HE22 H 1 7.542 . . . . . . . . . . . 5009 1 1421 . 1 1 109 109 GLN C C 13 176.135 . . . . . . . . . . . 5009 1 1422 . 1 1 109 109 GLN CA C 13 56.270 . . . . . . . . . . . 5009 1 1423 . 1 1 109 109 GLN CB C 13 29.328 . . . . . . . . . . . 5009 1 1424 . 1 1 109 109 GLN CG C 13 34.037 . . . . . . . . . . . 5009 1 1425 . 1 1 109 109 GLN N N 15 121.270 . . . . . . . . . . . 5009 1 1426 . 1 1 109 109 GLN NE2 N 15 112.017 . . . . . . . . . . . 5009 1 1427 . 1 1 110 110 GLN H H 1 8.300 . . . . . . . . . . . 5009 1 1428 . 1 1 110 110 GLN HA H 1 4.332 . . . . . . . . . . . 5009 1 1429 . 1 1 110 110 GLN HB2 H 1 2.156 . . . . . . . . . . . 5009 1 1430 . 1 1 110 110 GLN HB3 H 1 2.040 . . . . . . . . . . . 5009 1 1431 . 1 1 110 110 GLN HG2 H 1 2.413 . . . . . . . . . . . 5009 1 1432 . 1 1 110 110 GLN HG3 H 1 2.413 . . . . . . . . . . . 5009 1 1433 . 1 1 110 110 GLN HE21 H 1 6.893 . . . . . . . . . . . 5009 1 1434 . 1 1 110 110 GLN HE22 H 1 7.542 . . . . . . . . . . . 5009 1 1435 . 1 1 110 110 GLN C C 13 176.105 . . . . . . . . . . . 5009 1 1436 . 1 1 110 110 GLN CA C 13 56.194 . . . . . . . . . . . 5009 1 1437 . 1 1 110 110 GLN CB C 13 29.497 . . . . . . . . . . . 5009 1 1438 . 1 1 110 110 GLN CG C 13 33.876 . . . . . . . . . . . 5009 1 1439 . 1 1 110 110 GLN N N 15 120.480 . . . . . . . . . . . 5009 1 1440 . 1 1 110 110 GLN NE2 N 15 112.260 . . . . . . . . . . . 5009 1 1441 . 1 1 111 111 ARG H H 1 8.380 . . . . . . . . . . . 5009 1 1442 . 1 1 111 111 ARG HA H 1 4.391 . . . . . . . . . . . 5009 1 1443 . 1 1 111 111 ARG HB2 H 1 1.923 . . . . . . . . . . . 5009 1 1444 . 1 1 111 111 ARG HB3 H 1 1.806 . . . . . . . . . . . 5009 1 1445 . 1 1 111 111 ARG HG2 H 1 1.660 . . . . . . . . . . . 5009 1 1446 . 1 1 111 111 ARG HG3 H 1 1.660 . . . . . . . . . . . 5009 1 1447 . 1 1 111 111 ARG HD2 H 1 3.217 . . . . . . . . . . . 5009 1 1448 . 1 1 111 111 ARG HD3 H 1 3.217 . . . . . . . . . . . 5009 1 1449 . 1 1 111 111 ARG C C 13 176.760 . . . . . . . . . . . 5009 1 1450 . 1 1 111 111 ARG CA C 13 56.276 . . . . . . . . . . . 5009 1 1451 . 1 1 111 111 ARG CB C 13 30.835 . . . . . . . . . . . 5009 1 1452 . 1 1 111 111 ARG CG C 13 27.203 . . . . . . . . . . . 5009 1 1453 . 1 1 111 111 ARG CD C 13 43.343 . . . . . . . . . . . 5009 1 1454 . 1 1 111 111 ARG N N 15 121.980 . . . . . . . . . . . 5009 1 1455 . 1 1 112 112 GLY H H 1 8.450 . . . . . . . . . . . 5009 1 1456 . 1 1 112 112 GLY HA2 H 1 4.008 . . . . . . . . . . . 5009 1 1457 . 1 1 112 112 GLY HA3 H 1 4.008 . . . . . . . . . . . 5009 1 1458 . 1 1 112 112 GLY C C 13 173.656 . . . . . . . . . . . 5009 1 1459 . 1 1 112 112 GLY CA C 13 45.422 . . . . . . . . . . . 5009 1 1460 . 1 1 112 112 GLY N N 15 110.290 . . . . . . . . . . . 5009 1 1461 . 1 1 113 113 GLY H H 1 8.010 . . . . . . . . . . . 5009 1 1462 . 1 1 113 113 GLY HA2 H 1 3.802 . . . . . . . . . . . 5009 1 1463 . 1 1 113 113 GLY HA3 H 1 3.802 . . . . . . . . . . . 5009 1 1464 . 1 1 113 113 GLY C C 13 179.186 . . . . . . . . . . . 5009 1 1465 . 1 1 113 113 GLY CA C 13 46.034 . . . . . . . . . . . 5009 1 1466 . 1 1 113 113 GLY N N 15 114.960 . . . . . . . . . . . 5009 1 stop_ save_