data_4558 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4558 _Entry.Title ; 1H, 13C, and 15N Assignments for YopH-NT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-12-12 _Entry.Accession_date 1999-12-13 _Entry.Last_release_date . _Entry.Original_release_date . _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 P. Khandelwal . . . 4558 2 Kai Keliikuli . E. . 4558 3 C. Smit . L. . 4558 4 M. Saper . A. . 4558 5 Erik Zuiderweg . R. . 4558 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4558 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 526 4558 '13C chemical shifts' 432 4558 '15N chemical shifts' 123 4558 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 . . 2001-06-26 . update author 'chemical shifts updated' 4558 2 . . 2000-05-05 . original author 'original release' 4558 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4558 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21544931 _Citation.DOI . _Citation.PubMed_ID 11693571 _Citation.Full_citation . _Citation.Title ; Letter to the editor: 1H, 15N and 13C Assignments of the N-terminal Domain of Yersinia outer Protein H in its apo form and in Complex with a Phosphotyrosine Peptide ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 69 _Citation.Page_last 70 _Citation.Year 2001 _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 P. Khandelwal . . . 4558 1 2 Kai Keliikuli . E. . 4558 1 3 C. Smit . L. . 4558 1 4 M. Saper . A. . 4558 1 5 Erik Zuiderweg . R. . 4558 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YopH-NT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YopH-NT _Assembly.Entry_ID 4558 _Assembly.ID 1 _Assembly.Name 'YopH-NT monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _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 4558 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 YopH-NT 1 $YopH-NT . . . native . . . . . 4558 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'YopH-NT monomer' system 4558 1 YopH-NT abbreviation 4558 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YopH-NT _Entity.Sf_category entity _Entity.Sf_framecode YopH-NT _Entity.Entry_ID 4558 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'YopH N-terminal domain' _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 ; MNLSLSDLHRQVSRLVQQES GDCTGKLRGNVAANKETTFQ GLTIASGARESEKVFAQTVL SHVANVVLTQEDTAKLLQST VKHNLNNYDLRSVGNGNSVL VSLRSDQMTLQDAKVLLEAA LRQESGARGSHHHHHH ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HUF . "Crystal Structure Of The N-Terminal Domain Of The Tyrosine Phosphatase Yoph From Yersinia Pestis" . . . . . 99.26 140 99.26 99.26 2.17e-88 . . . . 4558 1 2 no PDB 1K46 . "Crystal Structure Of The Type Iii Secretory Domain Of Yersinia Yoph Reveals A Domain-Swapped Dimer" . . . . . 100.00 136 100.00 100.00 9.87e-91 . . . . 4558 1 3 no PDB 1M0V . "Nmr Structure Of The Type Iii Secretory Domain Of Yersinia Yoph Complexed With The Skap-Hom Phospho-Peptide N-Acetyl- Depyddpf-" . . . . . 100.00 136 100.00 100.00 9.87e-91 . . . . 4558 1 4 no EMBL CNJ69380 . "putative protein-tyrosine phosphatase Yop effector [Yersinia enterocolitica]" . . . . . 94.85 475 98.45 100.00 2.95e-80 . . . . 4558 1 5 no GB KJG82311 . "hypothetical protein RN24_21490, partial [Yersinia pestis subsp. microtus bv. Ulegeica]" . . . . . 55.15 75 100.00 100.00 2.52e-44 . . . . 4558 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'YopH N-terminal domain' common 4558 1 YopH-NT abbreviation 4558 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 . 4558 1 2 . ASN . 4558 1 3 . LEU . 4558 1 4 . SER . 4558 1 5 . LEU . 4558 1 6 . SER . 4558 1 7 . ASP . 4558 1 8 . LEU . 4558 1 9 . HIS . 4558 1 10 . ARG . 4558 1 11 . GLN . 4558 1 12 . VAL . 4558 1 13 . SER . 4558 1 14 . ARG . 4558 1 15 . LEU . 4558 1 16 . VAL . 4558 1 17 . GLN . 4558 1 18 . GLN . 4558 1 19 . GLU . 4558 1 20 . SER . 4558 1 21 . GLY . 4558 1 22 . ASP . 4558 1 23 . CYS . 4558 1 24 . THR . 4558 1 25 . GLY . 4558 1 26 . LYS . 4558 1 27 . LEU . 4558 1 28 . ARG . 4558 1 29 . GLY . 4558 1 30 . ASN . 4558 1 31 . VAL . 4558 1 32 . ALA . 4558 1 33 . ALA . 4558 1 34 . ASN . 4558 1 35 . LYS . 4558 1 36 . GLU . 4558 1 37 . THR . 4558 1 38 . THR . 4558 1 39 . PHE . 4558 1 40 . GLN . 4558 1 41 . GLY . 4558 1 42 . LEU . 4558 1 43 . THR . 4558 1 44 . ILE . 4558 1 45 . ALA . 4558 1 46 . SER . 4558 1 47 . GLY . 4558 1 48 . ALA . 4558 1 49 . ARG . 4558 1 50 . GLU . 4558 1 51 . SER . 4558 1 52 . GLU . 4558 1 53 . LYS . 4558 1 54 . VAL . 4558 1 55 . PHE . 4558 1 56 . ALA . 4558 1 57 . GLN . 4558 1 58 . THR . 4558 1 59 . VAL . 4558 1 60 . LEU . 4558 1 61 . SER . 4558 1 62 . HIS . 4558 1 63 . VAL . 4558 1 64 . ALA . 4558 1 65 . ASN . 4558 1 66 . VAL . 4558 1 67 . VAL . 4558 1 68 . LEU . 4558 1 69 . THR . 4558 1 70 . GLN . 4558 1 71 . GLU . 4558 1 72 . ASP . 4558 1 73 . THR . 4558 1 74 . ALA . 4558 1 75 . LYS . 4558 1 76 . LEU . 4558 1 77 . LEU . 4558 1 78 . GLN . 4558 1 79 . SER . 4558 1 80 . THR . 4558 1 81 . VAL . 4558 1 82 . LYS . 4558 1 83 . HIS . 4558 1 84 . ASN . 4558 1 85 . LEU . 4558 1 86 . ASN . 4558 1 87 . ASN . 4558 1 88 . TYR . 4558 1 89 . ASP . 4558 1 90 . LEU . 4558 1 91 . ARG . 4558 1 92 . SER . 4558 1 93 . VAL . 4558 1 94 . GLY . 4558 1 95 . ASN . 4558 1 96 . GLY . 4558 1 97 . ASN . 4558 1 98 . SER . 4558 1 99 . VAL . 4558 1 100 . LEU . 4558 1 101 . VAL . 4558 1 102 . SER . 4558 1 103 . LEU . 4558 1 104 . ARG . 4558 1 105 . SER . 4558 1 106 . ASP . 4558 1 107 . GLN . 4558 1 108 . MET . 4558 1 109 . THR . 4558 1 110 . LEU . 4558 1 111 . GLN . 4558 1 112 . ASP . 4558 1 113 . ALA . 4558 1 114 . LYS . 4558 1 115 . VAL . 4558 1 116 . LEU . 4558 1 117 . LEU . 4558 1 118 . GLU . 4558 1 119 . ALA . 4558 1 120 . ALA . 4558 1 121 . LEU . 4558 1 122 . ARG . 4558 1 123 . GLN . 4558 1 124 . GLU . 4558 1 125 . SER . 4558 1 126 . GLY . 4558 1 127 . ALA . 4558 1 128 . ARG . 4558 1 129 . GLY . 4558 1 130 . SER . 4558 1 131 . HIS . 4558 1 132 . HIS . 4558 1 133 . HIS . 4558 1 134 . HIS . 4558 1 135 . HIS . 4558 1 136 . HIS . 4558 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 4558 1 . ASN 2 2 4558 1 . LEU 3 3 4558 1 . SER 4 4 4558 1 . LEU 5 5 4558 1 . SER 6 6 4558 1 . ASP 7 7 4558 1 . LEU 8 8 4558 1 . HIS 9 9 4558 1 . ARG 10 10 4558 1 . GLN 11 11 4558 1 . VAL 12 12 4558 1 . SER 13 13 4558 1 . ARG 14 14 4558 1 . LEU 15 15 4558 1 . VAL 16 16 4558 1 . GLN 17 17 4558 1 . GLN 18 18 4558 1 . GLU 19 19 4558 1 . SER 20 20 4558 1 . GLY 21 21 4558 1 . ASP 22 22 4558 1 . CYS 23 23 4558 1 . THR 24 24 4558 1 . GLY 25 25 4558 1 . LYS 26 26 4558 1 . LEU 27 27 4558 1 . ARG 28 28 4558 1 . GLY 29 29 4558 1 . ASN 30 30 4558 1 . VAL 31 31 4558 1 . ALA 32 32 4558 1 . ALA 33 33 4558 1 . ASN 34 34 4558 1 . LYS 35 35 4558 1 . GLU 36 36 4558 1 . THR 37 37 4558 1 . THR 38 38 4558 1 . PHE 39 39 4558 1 . GLN 40 40 4558 1 . GLY 41 41 4558 1 . LEU 42 42 4558 1 . THR 43 43 4558 1 . ILE 44 44 4558 1 . ALA 45 45 4558 1 . SER 46 46 4558 1 . GLY 47 47 4558 1 . ALA 48 48 4558 1 . ARG 49 49 4558 1 . GLU 50 50 4558 1 . SER 51 51 4558 1 . GLU 52 52 4558 1 . LYS 53 53 4558 1 . VAL 54 54 4558 1 . PHE 55 55 4558 1 . ALA 56 56 4558 1 . GLN 57 57 4558 1 . THR 58 58 4558 1 . VAL 59 59 4558 1 . LEU 60 60 4558 1 . SER 61 61 4558 1 . HIS 62 62 4558 1 . VAL 63 63 4558 1 . ALA 64 64 4558 1 . ASN 65 65 4558 1 . VAL 66 66 4558 1 . VAL 67 67 4558 1 . LEU 68 68 4558 1 . THR 69 69 4558 1 . GLN 70 70 4558 1 . GLU 71 71 4558 1 . ASP 72 72 4558 1 . THR 73 73 4558 1 . ALA 74 74 4558 1 . LYS 75 75 4558 1 . LEU 76 76 4558 1 . LEU 77 77 4558 1 . GLN 78 78 4558 1 . SER 79 79 4558 1 . THR 80 80 4558 1 . VAL 81 81 4558 1 . LYS 82 82 4558 1 . HIS 83 83 4558 1 . ASN 84 84 4558 1 . LEU 85 85 4558 1 . ASN 86 86 4558 1 . ASN 87 87 4558 1 . TYR 88 88 4558 1 . ASP 89 89 4558 1 . LEU 90 90 4558 1 . ARG 91 91 4558 1 . SER 92 92 4558 1 . VAL 93 93 4558 1 . GLY 94 94 4558 1 . ASN 95 95 4558 1 . GLY 96 96 4558 1 . ASN 97 97 4558 1 . SER 98 98 4558 1 . VAL 99 99 4558 1 . LEU 100 100 4558 1 . VAL 101 101 4558 1 . SER 102 102 4558 1 . LEU 103 103 4558 1 . ARG 104 104 4558 1 . SER 105 105 4558 1 . ASP 106 106 4558 1 . GLN 107 107 4558 1 . MET 108 108 4558 1 . THR 109 109 4558 1 . LEU 110 110 4558 1 . GLN 111 111 4558 1 . ASP 112 112 4558 1 . ALA 113 113 4558 1 . LYS 114 114 4558 1 . VAL 115 115 4558 1 . LEU 116 116 4558 1 . LEU 117 117 4558 1 . GLU 118 118 4558 1 . ALA 119 119 4558 1 . ALA 120 120 4558 1 . LEU 121 121 4558 1 . ARG 122 122 4558 1 . GLN 123 123 4558 1 . GLU 124 124 4558 1 . SER 125 125 4558 1 . GLY 126 126 4558 1 . ALA 127 127 4558 1 . ARG 128 128 4558 1 . GLY 129 129 4558 1 . SER 130 130 4558 1 . HIS 131 131 4558 1 . HIS 132 132 4558 1 . HIS 133 133 4558 1 . HIS 134 134 4558 1 . HIS 135 135 4558 1 . HIS 136 136 4558 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 4558 _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 $YopH-NT . 633 organism . 'Yersinia pseudotuberculosis' . . . Eukaryota . Yersinia pseudotuberculosis . . . . . . . . . . . . . . . . . . . . . 4558 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 4558 _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 $YopH-NT . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4558 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4558 _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 'YopH N-terminal domain' '[U-90% 2H; U-13C; U-15N]' . . 1 $YopH-NT . . 0.8 . . mM . . . . 4558 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4558 _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 'YopH N-terminal domain' '[U-13C; U-15N]' . . 1 $YopH-NT . . . . . mM . . . . 4558 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_set_1 _Sample_condition_list.Entry_ID 4558 _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 6.5 0.05 n/a 4558 1 temperature 298 0.1 K 4558 1 stop_ 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 4558 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4558 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4558 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4558 _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 . . 800 . . . 4558 1 2 NMR_spectrometer_2 Bruker . . 600 . . . 4558 1 3 NMR_spectrometer_3 Bruker . . 500 . . . 4558 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 4558 _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 . . . . . . . . . . . . . . . . 1 $sample_conditions_set_1 . . . . . . . . . . . . . . . . . . . . . 4558 1 2 HNCOCA . . . . . . . . . . . . . . . . 1 $sample_conditions_set_1 . . . . . . . . . . . . . . . . . . . . . 4558 1 3 HNCO . . . . . . . . . . . . . . . . 1 $sample_conditions_set_1 . . . . . . . . . . . . . . . . . . . . . 4558 1 4 HN(CA)CO . . . . . . . . . . . . . . . . 1 $sample_conditions_set_1 . . . . . . . . . . . . . . . . . . . . . 4558 1 5 HNCACB . . . . . . . . . . . . . . . . 1 $sample_conditions_set_1 . . . . . . . . . . . . . . . . . . . . . 4558 1 6 CBCACONH . . . . . . . . . . . . . . . . 1 $sample_conditions_set_1 . . . . . . . . . . . . . . . . . . . . . 4558 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_conditions_set_1 . . . . . . . . . . . . . . . . . . . . . 4558 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 4558 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _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 4558 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCOCA _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 4558 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _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 4558 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _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 4558 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _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 4558 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4558 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_set_1 _Chem_shift_reference.Entry_ID 4558 _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 . . . 1 $entry_citation . . 1 $entry_citation 4558 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4558 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4558 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 4558 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4558 1 . . 2 $sample_2 . 4558 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LEU N N 15 125.675 . . 1 . . . . . . . . 4558 1 2 . 1 1 3 3 LEU H H 1 8.369 . . 1 . . . . . . . . 4558 1 3 . 1 1 3 3 LEU CA C 13 53.866 . . 1 . . . . . . . . 4558 1 4 . 1 1 3 3 LEU HA H 1 4.654 . . 1 . . . . . . . . 4558 1 5 . 1 1 3 3 LEU CB C 13 42.354 . . 1 . . . . . . . . 4558 1 6 . 1 1 3 3 LEU HB2 H 1 1.740 . . 1 . . . . . . . . 4558 1 7 . 1 1 3 3 LEU C C 13 177.142 . . 1 . . . . . . . . 4558 1 8 . 1 1 4 4 SER N N 15 123.259 . . 1 . . . . . . . . 4558 1 9 . 1 1 4 4 SER H H 1 9.142 . . 1 . . . . . . . . 4558 1 10 . 1 1 4 4 SER CA C 13 56.565 . . 1 . . . . . . . . 4558 1 11 . 1 1 4 4 SER HA H 1 4.523 . . 1 . . . . . . . . 4558 1 12 . 1 1 4 4 SER CB C 13 64.081 . . 1 . . . . . . . . 4558 1 13 . 1 1 4 4 SER C C 13 173.658 . . 1 . . . . . . . . 4558 1 14 . 1 1 5 5 LEU N N 15 124.818 . . 1 . . . . . . . . 4558 1 15 . 1 1 5 5 LEU H H 1 8.767 . . 1 . . . . . . . . 4558 1 16 . 1 1 5 5 LEU CA C 13 57.671 . . 1 . . . . . . . . 4558 1 17 . 1 1 5 5 LEU HA H 1 3.527 . . 1 . . . . . . . . 4558 1 18 . 1 1 5 5 LEU CB C 13 39.866 . . 1 . . . . . . . . 4558 1 19 . 1 1 5 5 LEU HB3 H 1 1.870 . . 2 . . . . . . . . 4558 1 20 . 1 1 5 5 LEU HB2 H 1 1.560 . . 2 . . . . . . . . 4558 1 21 . 1 1 5 5 LEU CG C 13 26.533 . . 1 . . . . . . . . 4558 1 22 . 1 1 5 5 LEU HG H 1 1.360 . . 1 . . . . . . . . 4558 1 23 . 1 1 5 5 LEU CD1 C 13 24.300 . . 2 . . . . . . . . 4558 1 24 . 1 1 5 5 LEU HD11 H 1 0.900 . . 2 . . . . . . . . 4558 1 25 . 1 1 5 5 LEU HD12 H 1 0.900 . . 2 . . . . . . . . 4558 1 26 . 1 1 5 5 LEU HD13 H 1 0.900 . . 2 . . . . . . . . 4558 1 27 . 1 1 5 5 LEU CD2 C 13 22.570 . . 2 . . . . . . . . 4558 1 28 . 1 1 5 5 LEU HD21 H 1 0.740 . . 2 . . . . . . . . 4558 1 29 . 1 1 5 5 LEU HD22 H 1 0.740 . . 2 . . . . . . . . 4558 1 30 . 1 1 5 5 LEU HD23 H 1 0.740 . . 2 . . . . . . . . 4558 1 31 . 1 1 5 5 LEU C C 13 177.719 . . 1 . . . . . . . . 4558 1 32 . 1 1 6 6 SER N N 15 113.683 . . 1 . . . . . . . . 4558 1 33 . 1 1 6 6 SER H H 1 8.379 . . 1 . . . . . . . . 4558 1 34 . 1 1 6 6 SER CA C 13 61.235 . . 1 . . . . . . . . 4558 1 35 . 1 1 6 6 SER HA H 1 4.143 . . 1 . . . . . . . . 4558 1 36 . 1 1 6 6 SER CB C 13 59.360 . . 1 . . . . . . . . 4558 1 37 . 1 1 6 6 SER C C 13 176.995 . . 1 . . . . . . . . 4558 1 38 . 1 1 7 7 ASP N N 15 125.674 . . 1 . . . . . . . . 4558 1 39 . 1 1 7 7 ASP H H 1 7.958 . . 1 . . . . . . . . 4558 1 40 . 1 1 7 7 ASP CA C 13 56.648 . . 1 . . . . . . . . 4558 1 41 . 1 1 7 7 ASP HA H 1 4.583 . . 1 . . . . . . . . 4558 1 42 . 1 1 7 7 ASP CB C 13 40.447 . . 1 . . . . . . . . 4558 1 43 . 1 1 7 7 ASP HB3 H 1 3.000 . . 1 . . . . . . . . 4558 1 44 . 1 1 7 7 ASP HB2 H 1 3.000 . . 1 . . . . . . . . 4558 1 45 . 1 1 7 7 ASP C C 13 177.833 . . 1 . . . . . . . . 4558 1 46 . 1 1 8 8 LEU N N 15 123.533 . . 1 . . . . . . . . 4558 1 47 . 1 1 8 8 LEU H H 1 8.643 . . 1 . . . . . . . . 4558 1 48 . 1 1 8 8 LEU CA C 13 57.527 . . 1 . . . . . . . . 4558 1 49 . 1 1 8 8 LEU HA H 1 3.989 . . 1 . . . . . . . . 4558 1 50 . 1 1 8 8 LEU CB C 13 40.779 . . 1 . . . . . . . . 4558 1 51 . 1 1 8 8 LEU HB3 H 1 1.450 . . 2 . . . . . . . . 4558 1 52 . 1 1 8 8 LEU HB2 H 1 1.720 . . 2 . . . . . . . . 4558 1 53 . 1 1 8 8 LEU CG C 13 26.300 . . 1 . . . . . . . . 4558 1 54 . 1 1 8 8 LEU HG H 1 1.480 . . 1 . . . . . . . . 4558 1 55 . 1 1 8 8 LEU CD1 C 13 22.330 . . 1 . . . . . . . . 4558 1 56 . 1 1 8 8 LEU HD11 H 1 0.780 . . 2 . . . . . . . . 4558 1 57 . 1 1 8 8 LEU HD12 H 1 0.780 . . 2 . . . . . . . . 4558 1 58 . 1 1 8 8 LEU HD13 H 1 0.780 . . 2 . . . . . . . . 4558 1 59 . 1 1 8 8 LEU HD21 H 1 0.400 . . 2 . . . . . . . . 4558 1 60 . 1 1 8 8 LEU HD22 H 1 0.400 . . 2 . . . . . . . . 4558 1 61 . 1 1 8 8 LEU HD23 H 1 0.400 . . 2 . . . . . . . . 4558 1 62 . 1 1 8 8 LEU C C 13 178.114 . . 1 . . . . . . . . 4558 1 63 . 1 1 9 9 HIS N N 15 119.053 . . 1 . . . . . . . . 4558 1 64 . 1 1 9 9 HIS H H 1 8.571 . . 1 . . . . . . . . 4558 1 65 . 1 1 9 9 HIS CA C 13 60.638 . . 1 . . . . . . . . 4558 1 66 . 1 1 9 9 HIS HA H 1 3.931 . . 1 . . . . . . . . 4558 1 67 . 1 1 9 9 HIS CB C 13 30.330 . . 1 . . . . . . . . 4558 1 68 . 1 1 9 9 HIS HB3 H 1 3.050 . . 2 . . . . . . . . 4558 1 69 . 1 1 9 9 HIS HB2 H 1 3.360 . . 2 . . . . . . . . 4558 1 70 . 1 1 9 9 HIS C C 13 177.402 . . 1 . . . . . . . . 4558 1 71 . 1 1 10 10 ARG N N 15 125.855 . . 1 . . . . . . . . 4558 1 72 . 1 1 10 10 ARG H H 1 8.508 . . 1 . . . . . . . . 4558 1 73 . 1 1 10 10 ARG CA C 13 59.159 . . 1 . . . . . . . . 4558 1 74 . 1 1 10 10 ARG HA H 1 3.841 . . 1 . . . . . . . . 4558 1 75 . 1 1 10 10 ARG CB C 13 28.658 . . 1 . . . . . . . . 4558 1 76 . 1 1 10 10 ARG HB3 H 1 1.910 . . 2 . . . . . . . . 4558 1 77 . 1 1 10 10 ARG HB2 H 1 2.000 . . 2 . . . . . . . . 4558 1 78 . 1 1 10 10 ARG CG C 13 25.600 . . 1 . . . . . . . . 4558 1 79 . 1 1 10 10 ARG HG3 H 1 1.810 . . 2 . . . . . . . . 4558 1 80 . 1 1 10 10 ARG HG2 H 1 1.740 . . 2 . . . . . . . . 4558 1 81 . 1 1 10 10 ARG CD C 13 42.400 . . 1 . . . . . . . . 4558 1 82 . 1 1 10 10 ARG HD3 H 1 3.300 . . 2 . . . . . . . . 4558 1 83 . 1 1 10 10 ARG HD2 H 1 3.310 . . 2 . . . . . . . . 4558 1 84 . 1 1 10 10 ARG C C 13 178.854 . . 1 . . . . . . . . 4558 1 85 . 1 1 11 11 GLN N N 15 120.107 . . 1 . . . . . . . . 4558 1 86 . 1 1 11 11 GLN H H 1 8.145 . . 1 . . . . . . . . 4558 1 87 . 1 1 11 11 GLN CA C 13 59.047 . . 1 . . . . . . . . 4558 1 88 . 1 1 11 11 GLN HA H 1 4.085 . . 1 . . . . . . . . 4558 1 89 . 1 1 11 11 GLN CB C 13 27.260 . . 1 . . . . . . . . 4558 1 90 . 1 1 11 11 GLN C C 13 179.426 . . 1 . . . . . . . . 4558 1 91 . 1 1 12 12 VAL N N 15 121.156 . . 1 . . . . . . . . 4558 1 92 . 1 1 12 12 VAL H H 1 8.322 . . 1 . . . . . . . . 4558 1 93 . 1 1 12 12 VAL CA C 13 66.050 . . 1 . . . . . . . . 4558 1 94 . 1 1 12 12 VAL HA H 1 3.507 . . 1 . . . . . . . . 4558 1 95 . 1 1 12 12 VAL CB C 13 31.139 . . 1 . . . . . . . . 4558 1 96 . 1 1 12 12 VAL HB H 1 2.180 . . 1 . . . . . . . . 4558 1 97 . 1 1 12 12 VAL CG2 C 13 21.170 . . 1 . . . . . . . . 4558 1 98 . 1 1 12 12 VAL HG11 H 1 1.060 . . 2 . . . . . . . . 4558 1 99 . 1 1 12 12 VAL HG12 H 1 1.060 . . 2 . . . . . . . . 4558 1 100 . 1 1 12 12 VAL HG13 H 1 1.060 . . 2 . . . . . . . . 4558 1 101 . 1 1 12 12 VAL CG1 C 13 23.270 . . 2 . . . . . . . . 4558 1 102 . 1 1 12 12 VAL HG21 H 1 1.300 . . 2 . . . . . . . . 4558 1 103 . 1 1 12 12 VAL HG22 H 1 1.300 . . 2 . . . . . . . . 4558 1 104 . 1 1 12 12 VAL HG23 H 1 1.300 . . 2 . . . . . . . . 4558 1 105 . 1 1 12 12 VAL C C 13 176.911 . . 1 . . . . . . . . 4558 1 106 . 1 1 13 13 SER N N 15 116.681 . . 1 . . . . . . . . 4558 1 107 . 1 1 13 13 SER H H 1 8.607 . . 1 . . . . . . . . 4558 1 108 . 1 1 13 13 SER CA C 13 62.019 . . 1 . . . . . . . . 4558 1 109 . 1 1 13 13 SER HA H 1 3.753 . . 1 . . . . . . . . 4558 1 110 . 1 1 13 13 SER CB C 13 61.380 . . 1 . . . . . . . . 4558 1 111 . 1 1 13 13 SER HB3 H 1 3.720 . . 1 . . . . . . . . 4558 1 112 . 1 1 13 13 SER HB2 H 1 3.720 . . 1 . . . . . . . . 4558 1 113 . 1 1 13 13 SER C C 13 176.083 . . 1 . . . . . . . . 4558 1 114 . 1 1 14 14 ARG N N 15 123.719 . . 1 . . . . . . . . 4558 1 115 . 1 1 14 14 ARG H H 1 7.723 . . 1 . . . . . . . . 4558 1 116 . 1 1 14 14 ARG CA C 13 58.090 . . 1 . . . . . . . . 4558 1 117 . 1 1 14 14 ARG HA H 1 4.400 . . 1 . . . . . . . . 4558 1 118 . 1 1 14 14 ARG CB C 13 28.160 . . 1 . . . . . . . . 4558 1 119 . 1 1 14 14 ARG HB3 H 1 1.940 . . 2 . . . . . . . . 4558 1 120 . 1 1 14 14 ARG HB2 H 1 1.770 . . 2 . . . . . . . . 4558 1 121 . 1 1 14 14 ARG CG C 13 23.740 . . 1 . . . . . . . . 4558 1 122 . 1 1 14 14 ARG HG3 H 1 1.500 . . 1 . . . . . . . . 4558 1 123 . 1 1 14 14 ARG HG2 H 1 1.500 . . 1 . . . . . . . . 4558 1 124 . 1 1 14 14 ARG CD C 13 41.000 . . 1 . . . . . . . . 4558 1 125 . 1 1 14 14 ARG HD3 H 1 3.100 . . 1 . . . . . . . . 4558 1 126 . 1 1 14 14 ARG HD2 H 1 3.100 . . 1 . . . . . . . . 4558 1 127 . 1 1 14 14 ARG C C 13 177.977 . . 1 . . . . . . . . 4558 1 128 . 1 1 15 15 LEU N N 15 120.963 . . 1 . . . . . . . . 4558 1 129 . 1 1 15 15 LEU H H 1 7.234 . . 1 . . . . . . . . 4558 1 130 . 1 1 15 15 LEU CA C 13 57.003 . . 1 . . . . . . . . 4558 1 131 . 1 1 15 15 LEU HA H 1 4.121 . . 1 . . . . . . . . 4558 1 132 . 1 1 15 15 LEU CB C 13 41.724 . . 1 . . . . . . . . 4558 1 133 . 1 1 15 15 LEU C C 13 179.252 . . 1 . . . . . . . . 4558 1 134 . 1 1 16 16 VAL N N 15 121.517 . . 1 . . . . . . . . 4558 1 135 . 1 1 16 16 VAL H H 1 8.065 . . 1 . . . . . . . . 4558 1 136 . 1 1 16 16 VAL CA C 13 65.473 . . 1 . . . . . . . . 4558 1 137 . 1 1 16 16 VAL HA H 1 3.517 . . 1 . . . . . . . . 4558 1 138 . 1 1 16 16 VAL CB C 13 30.247 . . 1 . . . . . . . . 4558 1 139 . 1 1 16 16 VAL HB H 1 2.200 . . 1 . . . . . . . . 4558 1 140 . 1 1 16 16 VAL CG2 C 13 23.430 . . 1 . . . . . . . . 4558 1 141 . 1 1 16 16 VAL HG11 H 1 1.230 . . 1 . . . . . . . . 4558 1 142 . 1 1 16 16 VAL HG12 H 1 1.230 . . 1 . . . . . . . . 4558 1 143 . 1 1 16 16 VAL HG13 H 1 1.230 . . 1 . . . . . . . . 4558 1 144 . 1 1 16 16 VAL CG1 C 13 23.270 . . 1 . . . . . . . . 4558 1 145 . 1 1 16 16 VAL HG21 H 1 1.000 . . 2 . . . . . . . . 4558 1 146 . 1 1 16 16 VAL HG22 H 1 1.000 . . 2 . . . . . . . . 4558 1 147 . 1 1 16 16 VAL HG23 H 1 1.000 . . 2 . . . . . . . . 4558 1 148 . 1 1 16 16 VAL C C 13 178.083 . . 1 . . . . . . . . 4558 1 149 . 1 1 17 17 GLN N N 15 121.502 . . 1 . . . . . . . . 4558 1 150 . 1 1 17 17 GLN H H 1 7.712 . . 1 . . . . . . . . 4558 1 151 . 1 1 17 17 GLN CA C 13 56.910 . . 1 . . . . . . . . 4558 1 152 . 1 1 17 17 GLN HA H 1 4.210 . . 1 . . . . . . . . 4558 1 153 . 1 1 17 17 GLN CB C 13 27.700 . . 1 . . . . . . . . 4558 1 154 . 1 1 17 17 GLN HB3 H 1 2.340 . . 1 . . . . . . . . 4558 1 155 . 1 1 17 17 GLN HB2 H 1 2.340 . . 1 . . . . . . . . 4558 1 156 . 1 1 17 17 GLN CG C 13 33.000 . . 1 . . . . . . . . 4558 1 157 . 1 1 17 17 GLN HG3 H 1 2.330 . . 2 . . . . . . . . 4558 1 158 . 1 1 17 17 GLN HG2 H 1 2.630 . . 2 . . . . . . . . 4558 1 159 . 1 1 18 18 GLN N N 15 119.315 . . 1 . . . . . . . . 4558 1 160 . 1 1 18 18 GLN H H 1 7.518 . . 1 . . . . . . . . 4558 1 161 . 1 1 18 18 GLN CA C 13 55.212 . . 1 . . . . . . . . 4558 1 162 . 1 1 18 18 GLN HA H 1 4.449 . . 1 . . . . . . . . 4558 1 163 . 1 1 18 18 GLN CB C 13 28.084 . . 1 . . . . . . . . 4558 1 164 . 1 1 18 18 GLN HB3 H 1 2.340 . . 1 . . . . . . . . 4558 1 165 . 1 1 18 18 GLN HB2 H 1 2.340 . . 1 . . . . . . . . 4558 1 166 . 1 1 18 18 GLN CG C 13 33.760 . . 1 . . . . . . . . 4558 1 167 . 1 1 18 18 GLN HG3 H 1 2.580 . . 1 . . . . . . . . 4558 1 168 . 1 1 18 18 GLN HG2 H 1 2.580 . . 1 . . . . . . . . 4558 1 169 . 1 1 18 18 GLN C C 13 175.046 . . 1 . . . . . . . . 4558 1 170 . 1 1 19 19 GLU N N 15 116.681 . . 1 . . . . . . . . 4558 1 171 . 1 1 19 19 GLU H H 1 7.865 . . 1 . . . . . . . . 4558 1 172 . 1 1 19 19 GLU CA C 13 55.602 . . 1 . . . . . . . . 4558 1 173 . 1 1 19 19 GLU HA H 1 4.531 . . 1 . . . . . . . . 4558 1 174 . 1 1 19 19 GLU CB C 13 25.840 . . 1 . . . . . . . . 4558 1 175 . 1 1 19 19 GLU HB3 H 1 2.260 . . 2 . . . . . . . . 4558 1 176 . 1 1 19 19 GLU HB2 H 1 2.370 . . 2 . . . . . . . . 4558 1 177 . 1 1 19 19 GLU CG C 13 35.600 . . 1 . . . . . . . . 4558 1 178 . 1 1 19 19 GLU HG3 H 1 2.180 . . 2 . . . . . . . . 4558 1 179 . 1 1 19 19 GLU HG2 H 1 2.370 . . 2 . . . . . . . . 4558 1 180 . 1 1 19 19 GLU C C 13 175.970 . . 1 . . . . . . . . 4558 1 181 . 1 1 20 20 SER N N 15 115.396 . . 1 . . . . . . . . 4558 1 182 . 1 1 20 20 SER H H 1 7.694 . . 1 . . . . . . . . 4558 1 183 . 1 1 20 20 SER CA C 13 57.061 . . 1 . . . . . . . . 4558 1 184 . 1 1 20 20 SER HA H 1 4.889 . . 1 . . . . . . . . 4558 1 185 . 1 1 20 20 SER CB C 13 62.754 . . 1 . . . . . . . . 4558 1 186 . 1 1 20 20 SER HB3 H 1 3.960 . . 2 . . . . . . . . 4558 1 187 . 1 1 20 20 SER HB2 H 1 4.000 . . 2 . . . . . . . . 4558 1 188 . 1 1 20 20 SER C C 13 175.253 . . 1 . . . . . . . . 4558 1 189 . 1 1 21 21 GLY N N 15 111.724 . . 1 . . . . . . . . 4558 1 190 . 1 1 21 21 GLY H H 1 8.957 . . 1 . . . . . . . . 4558 1 191 . 1 1 21 21 GLY CA C 13 46.438 . . 1 . . . . . . . . 4558 1 192 . 1 1 21 21 GLY C C 13 173.078 . . 1 . . . . . . . . 4558 1 193 . 1 1 22 22 ASP N N 15 118.592 . . 1 . . . . . . . . 4558 1 194 . 1 1 22 22 ASP H H 1 8.337 . . 1 . . . . . . . . 4558 1 195 . 1 1 22 22 ASP CA C 13 54.012 . . 1 . . . . . . . . 4558 1 196 . 1 1 22 22 ASP HA H 1 4.860 . . 1 . . . . . . . . 4558 1 197 . 1 1 22 22 ASP CB C 13 40.032 . . 1 . . . . . . . . 4558 1 198 . 1 1 22 22 ASP HB2 H 1 2.800 . . 2 . . . . . . . . 4558 1 199 . 1 1 22 22 ASP C C 13 176.235 . . 1 . . . . . . . . 4558 1 200 . 1 1 23 23 CYS N N 15 119.679 . . 1 . . . . . . . . 4558 1 201 . 1 1 23 23 CYS H H 1 7.468 . . 1 . . . . . . . . 4558 1 202 . 1 1 23 23 CYS CA C 13 58.249 . . 1 . . . . . . . . 4558 1 203 . 1 1 23 23 CYS HA H 1 4.787 . . 1 . . . . . . . . 4558 1 204 . 1 1 23 23 CYS CB C 13 28.860 . . 1 . . . . . . . . 4558 1 205 . 1 1 23 23 CYS HB3 H 1 3.180 . . 2 . . . . . . . . 4558 1 206 . 1 1 23 23 CYS HB2 H 1 3.245 . . 2 . . . . . . . . 4558 1 207 . 1 1 23 23 CYS C C 13 174.891 . . 1 . . . . . . . . 4558 1 208 . 1 1 24 24 THR N N 15 115.996 . . 1 . . . . . . . . 4558 1 209 . 1 1 24 24 THR H H 1 9.121 . . 1 . . . . . . . . 4558 1 210 . 1 1 24 24 THR CA C 13 60.236 . . 1 . . . . . . . . 4558 1 211 . 1 1 24 24 THR HA H 1 4.715 . . 1 . . . . . . . . 4558 1 212 . 1 1 24 24 THR CB C 13 67.647 . . 1 . . . . . . . . 4558 1 213 . 1 1 24 24 THR HB H 1 4.500 . . 1 . . . . . . . . 4558 1 214 . 1 1 24 24 THR CG2 C 13 23.700 . . 1 . . . . . . . . 4558 1 215 . 1 1 24 24 THR HG21 H 1 1.352 . . 1 . . . . . . . . 4558 1 216 . 1 1 24 24 THR HG22 H 1 1.352 . . 1 . . . . . . . . 4558 1 217 . 1 1 24 24 THR HG23 H 1 1.352 . . 1 . . . . . . . . 4558 1 218 . 1 1 24 24 THR C C 13 174.475 . . 1 . . . . . . . . 4558 1 219 . 1 1 25 25 GLY N N 15 107.259 . . 1 . . . . . . . . 4558 1 220 . 1 1 25 25 GLY H H 1 7.861 . . 1 . . . . . . . . 4558 1 221 . 1 1 25 25 GLY CA C 13 42.523 . . 1 . . . . . . . . 4558 1 222 . 1 1 25 25 GLY C C 13 171.754 . . 1 . . . . . . . . 4558 1 223 . 1 1 26 26 LYS N N 15 120.107 . . 1 . . . . . . . . 4558 1 224 . 1 1 26 26 LYS H H 1 8.141 . . 1 . . . . . . . . 4558 1 225 . 1 1 26 26 LYS CA C 13 53.698 . . 1 . . . . . . . . 4558 1 226 . 1 1 26 26 LYS HA H 1 4.515 . . 1 . . . . . . . . 4558 1 227 . 1 1 26 26 LYS CB C 13 34.022 . . 1 . . . . . . . . 4558 1 228 . 1 1 26 26 LYS C C 13 174.874 . . 1 . . . . . . . . 4558 1 229 . 1 1 27 27 LEU N N 15 126.959 . . 1 . . . . . . . . 4558 1 230 . 1 1 27 27 LEU H H 1 8.251 . . 1 . . . . . . . . 4558 1 231 . 1 1 27 27 LEU CA C 13 53.323 . . 1 . . . . . . . . 4558 1 232 . 1 1 27 27 LEU HA H 1 4.995 . . 1 . . . . . . . . 4558 1 233 . 1 1 27 27 LEU CB C 13 44.510 . . 1 . . . . . . . . 4558 1 234 . 1 1 27 27 LEU C C 13 172.988 . . 1 . . . . . . . . 4558 1 235 . 1 1 28 28 ARG N N 15 130.719 . . 1 . . . . . . . . 4558 1 236 . 1 1 28 28 ARG H H 1 7.565 . . 1 . . . . . . . . 4558 1 237 . 1 1 28 28 ARG CA C 13 55.492 . . 1 . . . . . . . . 4558 1 238 . 1 1 28 28 ARG HA H 1 4.458 . . 1 . . . . . . . . 4558 1 239 . 1 1 28 28 ARG CB C 13 29.800 . . 1 . . . . . . . . 4558 1 240 . 1 1 28 28 ARG HB3 H 1 1.980 . . 2 . . . . . . . . 4558 1 241 . 1 1 28 28 ARG HB2 H 1 1.770 . . 2 . . . . . . . . 4558 1 242 . 1 1 28 28 ARG CG C 13 26.300 . . 1 . . . . . . . . 4558 1 243 . 1 1 28 28 ARG HG3 H 1 1.510 . . 2 . . . . . . . . 4558 1 244 . 1 1 28 28 ARG HG2 H 1 1.350 . . 2 . . . . . . . . 4558 1 245 . 1 1 28 28 ARG CD C 13 42.380 . . 1 . . . . . . . . 4558 1 246 . 1 1 28 28 ARG HD2 H 1 3.290 . . 2 . . . . . . . . 4558 1 247 . 1 1 28 28 ARG C C 13 175.066 . . 1 . . . . . . . . 4558 1 248 . 1 1 30 30 ASN N N 15 120.367 . . 1 . . . . . . . . 4558 1 249 . 1 1 30 30 ASN H H 1 7.669 . . 1 . . . . . . . . 4558 1 250 . 1 1 30 30 ASN CA C 13 50.744 . . 1 . . . . . . . . 4558 1 251 . 1 1 30 30 ASN HA H 1 5.037 . . 1 . . . . . . . . 4558 1 252 . 1 1 30 30 ASN CB C 13 39.590 . . 1 . . . . . . . . 4558 1 253 . 1 1 30 30 ASN HB3 H 1 2.900 . . 1 . . . . . . . . 4558 1 254 . 1 1 30 30 ASN HB2 H 1 2.900 . . 1 . . . . . . . . 4558 1 255 . 1 1 30 30 ASN C C 13 174.040 . . 1 . . . . . . . . 4558 1 256 . 1 1 31 31 VAL N N 15 122.676 . . 1 . . . . . . . . 4558 1 257 . 1 1 31 31 VAL H H 1 8.620 . . 1 . . . . . . . . 4558 1 258 . 1 1 31 31 VAL CA C 13 61.365 . . 1 . . . . . . . . 4558 1 259 . 1 1 31 31 VAL HA H 1 4.674 . . 1 . . . . . . . . 4558 1 260 . 1 1 31 31 VAL CB C 13 31.408 . . 1 . . . . . . . . 4558 1 261 . 1 1 31 31 VAL CG2 C 13 23.100 . . 2 . . . . . . . . 4558 1 262 . 1 1 31 31 VAL CG1 C 13 21.860 . . 2 . . . . . . . . 4558 1 263 . 1 1 32 32 ALA N N 15 131.902 . . 1 . . . . . . . . 4558 1 264 . 1 1 32 32 ALA H H 1 9.002 . . 1 . . . . . . . . 4558 1 265 . 1 1 32 32 ALA CA C 13 49.428 . . 1 . . . . . . . . 4558 1 266 . 1 1 32 32 ALA HA H 1 4.701 . . 1 . . . . . . . . 4558 1 267 . 1 1 32 32 ALA CB C 13 21.954 . . 1 . . . . . . . . 4558 1 268 . 1 1 32 32 ALA HB1 H 1 1.360 . . 1 . . . . . . . . 4558 1 269 . 1 1 32 32 ALA HB2 H 1 1.360 . . 1 . . . . . . . . 4558 1 270 . 1 1 32 32 ALA HB3 H 1 1.360 . . 1 . . . . . . . . 4558 1 271 . 1 1 32 32 ALA C C 13 174.537 . . 1 . . . . . . . . 4558 1 272 . 1 1 33 33 ALA N N 15 123.105 . . 1 . . . . . . . . 4558 1 273 . 1 1 33 33 ALA H H 1 8.547 . . 1 . . . . . . . . 4558 1 274 . 1 1 33 33 ALA CA C 13 49.607 . . 1 . . . . . . . . 4558 1 275 . 1 1 33 33 ALA HA H 1 4.636 . . 1 . . . . . . . . 4558 1 276 . 1 1 33 33 ALA CB C 13 19.300 . . 1 . . . . . . . . 4558 1 277 . 1 1 33 33 ALA HB1 H 1 1.290 . . 1 . . . . . . . . 4558 1 278 . 1 1 33 33 ALA HB2 H 1 1.290 . . 1 . . . . . . . . 4558 1 279 . 1 1 33 33 ALA HB3 H 1 1.290 . . 1 . . . . . . . . 4558 1 280 . 1 1 33 33 ALA C C 13 176.601 . . 1 . . . . . . . . 4558 1 281 . 1 1 34 34 ASN N N 15 122.248 . . 1 . . . . . . . . 4558 1 282 . 1 1 34 34 ASN H H 1 8.869 . . 1 . . . . . . . . 4558 1 283 . 1 1 34 34 ASN CA C 13 51.867 . . 1 . . . . . . . . 4558 1 284 . 1 1 34 34 ASN HA H 1 4.183 . . 1 . . . . . . . . 4558 1 285 . 1 1 34 34 ASN CB C 13 36.881 . . 1 . . . . . . . . 4558 1 286 . 1 1 34 34 ASN HB2 H 1 3.200 . . 1 . . . . . . . . 4558 1 287 . 1 1 34 34 ASN C C 13 174.774 . . 1 . . . . . . . . 4558 1 288 . 1 1 35 35 LYS N N 15 128.123 . . 1 . . . . . . . . 4558 1 289 . 1 1 35 35 LYS H H 1 8.562 . . 1 . . . . . . . . 4558 1 290 . 1 1 35 35 LYS CA C 13 54.796 . . 1 . . . . . . . . 4558 1 291 . 1 1 35 35 LYS HA H 1 4.628 . . 1 . . . . . . . . 4558 1 292 . 1 1 35 35 LYS CB C 13 30.993 . . 1 . . . . . . . . 4558 1 293 . 1 1 35 35 LYS C C 13 176.440 . . 1 . . . . . . . . 4558 1 294 . 1 1 36 36 GLU N N 15 121.820 . . 1 . . . . . . . . 4558 1 295 . 1 1 36 36 GLU H H 1 8.231 . . 1 . . . . . . . . 4558 1 296 . 1 1 36 36 GLU CA C 13 57.382 . . 1 . . . . . . . . 4558 1 297 . 1 1 36 36 GLU HA H 1 4.376 . . 1 . . . . . . . . 4558 1 298 . 1 1 36 36 GLU CB C 13 30.470 . . 1 . . . . . . . . 4558 1 299 . 1 1 36 36 GLU HB2 H 1 2.230 . . 9 . . . . . . . . 4558 1 300 . 1 1 36 36 GLU CG C 13 35.390 . . 1 . . . . . . . . 4558 1 301 . 1 1 36 36 GLU HG2 H 1 2.340 . . 9 . . . . . . . . 4558 1 302 . 1 1 36 36 GLU C C 13 176.179 . . 1 . . . . . . . . 4558 1 303 . 1 1 37 37 THR N N 15 113.499 . . 1 . . . . . . . . 4558 1 304 . 1 1 37 37 THR H H 1 7.490 . . 1 . . . . . . . . 4558 1 305 . 1 1 37 37 THR CA C 13 58.829 . . 1 . . . . . . . . 4558 1 306 . 1 1 37 37 THR HA H 1 4.751 . . 1 . . . . . . . . 4558 1 307 . 1 1 37 37 THR CB C 13 69.962 . . 1 . . . . . . . . 4558 1 308 . 1 1 37 37 THR HB H 1 4.310 . . 1 . . . . . . . . 4558 1 309 . 1 1 37 37 THR CG2 C 13 21.150 . . 1 . . . . . . . . 4558 1 310 . 1 1 37 37 THR HG21 H 1 1.230 . . 1 . . . . . . . . 4558 1 311 . 1 1 37 37 THR HG22 H 1 1.230 . . 1 . . . . . . . . 4558 1 312 . 1 1 37 37 THR HG23 H 1 1.230 . . 1 . . . . . . . . 4558 1 313 . 1 1 37 37 THR C C 13 173.278 . . 1 . . . . . . . . 4558 1 314 . 1 1 38 38 THR N N 15 113.794 . . 1 . . . . . . . . 4558 1 315 . 1 1 38 38 THR H H 1 7.990 . . 1 . . . . . . . . 4558 1 316 . 1 1 38 38 THR CA C 13 59.533 . . 1 . . . . . . . . 4558 1 317 . 1 1 38 38 THR HA H 1 4.617 . . 1 . . . . . . . . 4558 1 318 . 1 1 38 38 THR CB C 13 70.480 . . 1 . . . . . . . . 4558 1 319 . 1 1 38 38 THR HB H 1 4.310 . . 1 . . . . . . . . 4558 1 320 . 1 1 38 38 THR CG2 C 13 21.170 . . 1 . . . . . . . . 4558 1 321 . 1 1 38 38 THR HG21 H 1 1.290 . . 1 . . . . . . . . 4558 1 322 . 1 1 38 38 THR HG22 H 1 1.290 . . 1 . . . . . . . . 4558 1 323 . 1 1 38 38 THR HG23 H 1 1.290 . . 1 . . . . . . . . 4558 1 324 . 1 1 38 38 THR C C 13 174.802 . . 1 . . . . . . . . 4558 1 325 . 1 1 39 39 PHE N N 15 122.306 . . 1 . . . . . . . . 4558 1 326 . 1 1 39 39 PHE H H 1 8.939 . . 1 . . . . . . . . 4558 1 327 . 1 1 39 39 PHE CA C 13 58.906 . . 1 . . . . . . . . 4558 1 328 . 1 1 39 39 PHE HA H 1 4.012 . . 1 . . . . . . . . 4558 1 329 . 1 1 39 39 PHE CB C 13 37.378 . . 1 . . . . . . . . 4558 1 330 . 1 1 39 39 PHE C C 13 174.757 . . 1 . . . . . . . . 4558 1 331 . 1 1 40 40 GLN N N 15 129.529 . . 1 . . . . . . . . 4558 1 332 . 1 1 40 40 GLN H H 1 7.970 . . 1 . . . . . . . . 4558 1 333 . 1 1 40 40 GLN CA C 13 53.331 . . 1 . . . . . . . . 4558 1 334 . 1 1 40 40 GLN HA H 1 4.248 . . 1 . . . . . . . . 4558 1 335 . 1 1 40 40 GLN CB C 13 31.900 . . 1 . . . . . . . . 4558 1 336 . 1 1 40 40 GLN HB3 H 1 2.270 . . 2 . . . . . . . . 4558 1 337 . 1 1 40 40 GLN HB2 H 1 2.320 . . 2 . . . . . . . . 4558 1 338 . 1 1 40 40 GLN CG C 13 30.000 . . 1 . . . . . . . . 4558 1 339 . 1 1 40 40 GLN HG3 H 1 2.720 . . 2 . . . . . . . . 4558 1 340 . 1 1 40 40 GLN HG2 H 1 2.650 . . 2 . . . . . . . . 4558 1 341 . 1 1 40 40 GLN C C 13 173.946 . . 1 . . . . . . . . 4558 1 342 . 1 1 42 42 LEU N N 15 119.679 . . 1 . . . . . . . . 4558 1 343 . 1 1 42 42 LEU H H 1 7.865 . . 1 . . . . . . . . 4558 1 344 . 1 1 42 42 LEU CA C 13 53.340 . . 1 . . . . . . . . 4558 1 345 . 1 1 42 42 LEU HA H 1 4.204 . . 1 . . . . . . . . 4558 1 346 . 1 1 42 42 LEU CB C 13 41.276 . . 1 . . . . . . . . 4558 1 347 . 1 1 42 42 LEU C C 13 177.288 . . 1 . . . . . . . . 4558 1 348 . 1 1 43 43 THR N N 15 112.826 . . 1 . . . . . . . . 4558 1 349 . 1 1 43 43 THR H H 1 7.953 . . 1 . . . . . . . . 4558 1 350 . 1 1 43 43 THR CA C 13 58.833 . . 1 . . . . . . . . 4558 1 351 . 1 1 43 43 THR HA H 1 4.862 . . 1 . . . . . . . . 4558 1 352 . 1 1 43 43 THR CB C 13 69.700 . . 1 . . . . . . . . 4558 1 353 . 1 1 43 43 THR C C 13 178.247 . . 1 . . . . . . . . 4558 1 354 . 1 1 44 44 ILE N N 15 126.959 . . 1 . . . . . . . . 4558 1 355 . 1 1 44 44 ILE H H 1 9.721 . . 1 . . . . . . . . 4558 1 356 . 1 1 44 44 ILE CA C 13 62.773 . . 1 . . . . . . . . 4558 1 357 . 1 1 44 44 ILE HA H 1 4.252 . . 1 . . . . . . . . 4558 1 358 . 1 1 44 44 ILE CB C 13 35.554 . . 1 . . . . . . . . 4558 1 359 . 1 1 44 44 ILE HB H 1 2.170 . . 1 . . . . . . . . 4558 1 360 . 1 1 44 44 ILE CG1 C 13 26.000 . . 1 . . . . . . . . 4558 1 361 . 1 1 44 44 ILE HG13 H 1 1.000 . . 2 . . . . . . . . 4558 1 362 . 1 1 44 44 ILE HG12 H 1 1.700 . . 1 . . . . . . . . 4558 1 363 . 1 1 44 44 ILE CD1 C 13 10.200 . . 1 . . . . . . . . 4558 1 364 . 1 1 44 44 ILE HD11 H 1 0.880 . . 1 . . . . . . . . 4558 1 365 . 1 1 44 44 ILE HD12 H 1 0.880 . . 1 . . . . . . . . 4558 1 366 . 1 1 44 44 ILE HD13 H 1 0.880 . . 1 . . . . . . . . 4558 1 367 . 1 1 44 44 ILE CG2 C 13 16.280 . . 1 . . . . . . . . 4558 1 368 . 1 1 44 44 ILE HG21 H 1 1.000 . . 1 . . . . . . . . 4558 1 369 . 1 1 44 44 ILE HG22 H 1 1.000 . . 1 . . . . . . . . 4558 1 370 . 1 1 44 44 ILE HG23 H 1 1.000 . . 1 . . . . . . . . 4558 1 371 . 1 1 44 44 ILE C C 13 178.502 . . 1 . . . . . . . . 4558 1 372 . 1 1 45 45 ALA N N 15 123.533 . . 1 . . . . . . . . 4558 1 373 . 1 1 45 45 ALA H H 1 8.108 . . 1 . . . . . . . . 4558 1 374 . 1 1 45 45 ALA CA C 13 53.471 . . 1 . . . . . . . . 4558 1 375 . 1 1 45 45 ALA HA H 1 4.318 . . 1 . . . . . . . . 4558 1 376 . 1 1 45 45 ALA CB C 13 17.148 . . 1 . . . . . . . . 4558 1 377 . 1 1 45 45 ALA HB1 H 1 1.650 . . 9 . . . . . . . . 4558 1 378 . 1 1 45 45 ALA HB2 H 1 1.650 . . 9 . . . . . . . . 4558 1 379 . 1 1 45 45 ALA HB3 H 1 1.650 . . 9 . . . . . . . . 4558 1 380 . 1 1 45 45 ALA C C 13 178.216 . . 1 . . . . . . . . 4558 1 381 . 1 1 46 46 SER N N 15 113.683 . . 1 . . . . . . . . 4558 1 382 . 1 1 46 46 SER H H 1 7.853 . . 1 . . . . . . . . 4558 1 383 . 1 1 46 46 SER CA C 13 55.651 . . 1 . . . . . . . . 4558 1 384 . 1 1 46 46 SER HA H 1 4.500 . . 1 . . . . . . . . 4558 1 385 . 1 1 46 46 SER CB C 13 63.086 . . 1 . . . . . . . . 4558 1 386 . 1 1 46 46 SER HB3 H 1 3.900 . . 1 . . . . . . . . 4558 1 387 . 1 1 46 46 SER HB2 H 1 3.900 . . 1 . . . . . . . . 4558 1 388 . 1 1 46 46 SER C C 13 173.276 . . 1 . . . . . . . . 4558 1 389 . 1 1 47 47 GLY N N 15 108.799 . . 1 . . . . . . . . 4558 1 390 . 1 1 47 47 GLY H H 1 7.493 . . 1 . . . . . . . . 4558 1 391 . 1 1 47 47 GLY CA C 13 44.826 . . 1 . . . . . . . . 4558 1 392 . 1 1 47 47 GLY C C 13 175.345 . . 1 . . . . . . . . 4558 1 393 . 1 1 48 48 ALA N N 15 128.244 . . 1 . . . . . . . . 4558 1 394 . 1 1 48 48 ALA H H 1 8.259 . . 1 . . . . . . . . 4558 1 395 . 1 1 48 48 ALA CA C 13 51.356 . . 1 . . . . . . . . 4558 1 396 . 1 1 48 48 ALA HA H 1 4.295 . . 1 . . . . . . . . 4558 1 397 . 1 1 48 48 ALA CB C 13 16.564 . . 1 . . . . . . . . 4558 1 398 . 1 1 48 48 ALA HB1 H 1 0.930 . . 9 . . . . . . . . 4558 1 399 . 1 1 48 48 ALA HB2 H 1 0.930 . . 9 . . . . . . . . 4558 1 400 . 1 1 48 48 ALA HB3 H 1 0.930 . . 9 . . . . . . . . 4558 1 401 . 1 1 48 48 ALA C C 13 175.978 . . 1 . . . . . . . . 4558 1 402 . 1 1 49 49 ARG N N 15 122.676 . . 1 . . . . . . . . 4558 1 403 . 1 1 49 49 ARG H H 1 9.586 . . 1 . . . . . . . . 4558 1 404 . 1 1 49 49 ARG CA C 13 51.710 . . 1 . . . . . . . . 4558 1 405 . 1 1 49 49 ARG HA H 1 4.410 . . 1 . . . . . . . . 4558 1 406 . 1 1 49 49 ARG CB C 13 29.796 . . 1 . . . . . . . . 4558 1 407 . 1 1 49 49 ARG HB3 H 1 1.900 . . 2 . . . . . . . . 4558 1 408 . 1 1 49 49 ARG HB2 H 1 1.990 . . 2 . . . . . . . . 4558 1 409 . 1 1 49 49 ARG CG C 13 26.300 . . 1 . . . . . . . . 4558 1 410 . 1 1 49 49 ARG HG2 H 1 1.510 . . 2 . . . . . . . . 4558 1 411 . 1 1 49 49 ARG CD C 13 42.380 . . 1 . . . . . . . . 4558 1 412 . 1 1 49 49 ARG HD3 H 1 3.310 . . 2 . . . . . . . . 4558 1 413 . 1 1 49 49 ARG HD2 H 1 3.290 . . 2 . . . . . . . . 4558 1 414 . 1 1 49 49 ARG C C 13 178.486 . . 1 . . . . . . . . 4558 1 415 . 1 1 50 50 GLU N N 15 127.387 . . 1 . . . . . . . . 4558 1 416 . 1 1 50 50 GLU H H 1 9.198 . . 1 . . . . . . . . 4558 1 417 . 1 1 50 50 GLU CA C 13 59.424 . . 1 . . . . . . . . 4558 1 418 . 1 1 50 50 GLU HA H 1 4.106 . . 1 . . . . . . . . 4558 1 419 . 1 1 50 50 GLU CB C 13 27.740 . . 1 . . . . . . . . 4558 1 420 . 1 1 50 50 GLU CG C 13 34.940 . . 1 . . . . . . . . 4558 1 421 . 1 1 51 51 SER N N 15 114.539 . . 1 . . . . . . . . 4558 1 422 . 1 1 51 51 SER H H 1 8.769 . . 1 . . . . . . . . 4558 1 423 . 1 1 51 51 SER CA C 13 60.247 . . 1 . . . . . . . . 4558 1 424 . 1 1 52 52 GLU N N 15 128.419 . . 1 . . . . . . . . 4558 1 425 . 1 1 52 52 GLU H H 1 7.359 . . 1 . . . . . . . . 4558 1 426 . 1 1 52 52 GLU CA C 13 58.159 . . 1 . . . . . . . . 4558 1 427 . 1 1 52 52 GLU HA H 1 4.340 . . 1 . . . . . . . . 4558 1 428 . 1 1 52 52 GLU CB C 13 29.018 . . 1 . . . . . . . . 4558 1 429 . 1 1 52 52 GLU HB3 H 1 2.170 . . 2 . . . . . . . . 4558 1 430 . 1 1 52 52 GLU HB2 H 1 2.230 . . 2 . . . . . . . . 4558 1 431 . 1 1 52 52 GLU CG C 13 35.160 . . 1 . . . . . . . . 4558 1 432 . 1 1 52 52 GLU HG3 H 1 2.370 . . 2 . . . . . . . . 4558 1 433 . 1 1 52 52 GLU HG2 H 1 2.400 . . 2 . . . . . . . . 4558 1 434 . 1 1 52 52 GLU C C 13 178.635 . . 1 . . . . . . . . 4558 1 435 . 1 1 53 53 LYS N N 15 126.348 . . 1 . . . . . . . . 4558 1 436 . 1 1 53 53 LYS H H 1 7.699 . . 1 . . . . . . . . 4558 1 437 . 1 1 53 53 LYS CA C 13 59.087 . . 1 . . . . . . . . 4558 1 438 . 1 1 53 53 LYS HA H 1 4.340 . . 1 . . . . . . . . 4558 1 439 . 1 1 53 53 LYS CB C 13 31.574 . . 1 . . . . . . . . 4558 1 440 . 1 1 53 53 LYS HB2 H 1 1.770 . . 1 . . . . . . . . 4558 1 441 . 1 1 53 53 LYS CG C 13 25.900 . . 1 . . . . . . . . 4558 1 442 . 1 1 53 53 LYS CD C 13 27.460 . . 1 . . . . . . . . 4558 1 443 . 1 1 53 53 LYS CE C 13 41.960 . . 1 . . . . . . . . 4558 1 444 . 1 1 53 53 LYS C C 13 178.116 . . 1 . . . . . . . . 4558 1 445 . 1 1 54 54 VAL N N 15 120.107 . . 1 . . . . . . . . 4558 1 446 . 1 1 54 54 VAL H H 1 8.719 . . 1 . . . . . . . . 4558 1 447 . 1 1 54 54 VAL CA C 13 65.548 . . 1 . . . . . . . . 4558 1 448 . 1 1 54 54 VAL HA H 1 3.859 . . 1 . . . . . . . . 4558 1 449 . 1 1 54 54 VAL CB C 13 30.960 . . 1 . . . . . . . . 4558 1 450 . 1 1 54 54 VAL HB H 1 2.420 . . 1 . . . . . . . . 4558 1 451 . 1 1 54 54 VAL CG2 C 13 22.100 . . 2 . . . . . . . . 4558 1 452 . 1 1 54 54 VAL HG11 H 1 1.310 . . 2 . . . . . . . . 4558 1 453 . 1 1 54 54 VAL HG12 H 1 1.310 . . 2 . . . . . . . . 4558 1 454 . 1 1 54 54 VAL HG13 H 1 1.310 . . 2 . . . . . . . . 4558 1 455 . 1 1 54 54 VAL CG1 C 13 20.720 . . 2 . . . . . . . . 4558 1 456 . 1 1 54 54 VAL HG21 H 1 1.080 . . 2 . . . . . . . . 4558 1 457 . 1 1 54 54 VAL HG22 H 1 1.080 . . 2 . . . . . . . . 4558 1 458 . 1 1 54 54 VAL HG23 H 1 1.080 . . 2 . . . . . . . . 4558 1 459 . 1 1 54 54 VAL C C 13 179.996 . . 1 . . . . . . . . 4558 1 460 . 1 1 55 55 PHE N N 15 124.389 . . 1 . . . . . . . . 4558 1 461 . 1 1 55 55 PHE H H 1 7.687 . . 1 . . . . . . . . 4558 1 462 . 1 1 55 55 PHE CA C 13 62.023 . . 1 . . . . . . . . 4558 1 463 . 1 1 55 55 PHE HA H 1 4.019 . . 1 . . . . . . . . 4558 1 464 . 1 1 55 55 PHE CB C 13 37.162 . . 1 . . . . . . . . 4558 1 465 . 1 1 55 55 PHE C C 13 174.683 . . 1 . . . . . . . . 4558 1 466 . 1 1 56 56 ALA N N 15 123.961 . . 1 . . . . . . . . 4558 1 467 . 1 1 56 56 ALA H H 1 8.344 . . 1 . . . . . . . . 4558 1 468 . 1 1 56 56 ALA CA C 13 54.622 . . 1 . . . . . . . . 4558 1 469 . 1 1 56 56 ALA HA H 1 3.876 . . 1 . . . . . . . . 4558 1 470 . 1 1 56 56 ALA CB C 13 17.061 . . 1 . . . . . . . . 4558 1 471 . 1 1 56 56 ALA HB1 H 1 1.460 . . 1 . . . . . . . . 4558 1 472 . 1 1 56 56 ALA HB2 H 1 1.460 . . 1 . . . . . . . . 4558 1 473 . 1 1 56 56 ALA HB3 H 1 1.460 . . 1 . . . . . . . . 4558 1 474 . 1 1 56 56 ALA C C 13 179.033 . . 1 . . . . . . . . 4558 1 475 . 1 1 57 57 GLN N N 15 115.824 . . 1 . . . . . . . . 4558 1 476 . 1 1 57 57 GLN H H 1 8.984 . . 1 . . . . . . . . 4558 1 477 . 1 1 57 57 GLN CA C 13 57.277 . . 1 . . . . . . . . 4558 1 478 . 1 1 57 57 GLN HA H 1 3.900 . . 1 . . . . . . . . 4558 1 479 . 1 1 57 57 GLN CB C 13 26.921 . . 1 . . . . . . . . 4558 1 480 . 1 1 57 57 GLN HB2 H 1 2.310 . . 9 . . . . . . . . 4558 1 481 . 1 1 57 57 GLN CG C 13 33.340 . . 1 . . . . . . . . 4558 1 482 . 1 1 57 57 GLN HG2 H 1 2.330 . . 9 . . . . . . . . 4558 1 483 . 1 1 57 57 GLN C C 13 179.248 . . 1 . . . . . . . . 4558 1 484 . 1 1 58 58 THR N N 15 121.945 . . 1 . . . . . . . . 4558 1 485 . 1 1 58 58 THR H H 1 8.164 . . 1 . . . . . . . . 4558 1 486 . 1 1 58 58 THR CA C 13 66.427 . . 1 . . . . . . . . 4558 1 487 . 1 1 58 58 THR HA H 1 3.980 . . 1 . . . . . . . . 4558 1 488 . 1 1 58 58 THR CB C 13 76.785 . . 1 . . . . . . . . 4558 1 489 . 1 1 58 58 THR HB H 1 4.360 . . 1 . . . . . . . . 4558 1 490 . 1 1 58 58 THR CG2 C 13 20.240 . . 1 . . . . . . . . 4558 1 491 . 1 1 58 58 THR HG21 H 1 1.250 . . 1 . . . . . . . . 4558 1 492 . 1 1 58 58 THR HG22 H 1 1.250 . . 1 . . . . . . . . 4558 1 493 . 1 1 58 58 THR HG23 H 1 1.250 . . 1 . . . . . . . . 4558 1 494 . 1 1 59 59 VAL N N 15 125.395 . . 1 . . . . . . . . 4558 1 495 . 1 1 59 59 VAL H H 1 7.920 . . 1 . . . . . . . . 4558 1 496 . 1 1 59 59 VAL CA C 13 67.203 . . 1 . . . . . . . . 4558 1 497 . 1 1 59 59 VAL HA H 1 4.592 . . 1 . . . . . . . . 4558 1 498 . 1 1 59 59 VAL CB C 13 29.510 . . 1 . . . . . . . . 4558 1 499 . 1 1 59 59 VAL C C 13 177.265 . . 1 . . . . . . . . 4558 1 500 . 1 1 60 60 LEU N N 15 120.107 . . 1 . . . . . . . . 4558 1 501 . 1 1 60 60 LEU H H 1 7.971 . . 1 . . . . . . . . 4558 1 502 . 1 1 60 60 LEU CA C 13 57.094 . . 1 . . . . . . . . 4558 1 503 . 1 1 60 60 LEU HA H 1 3.970 . . 1 . . . . . . . . 4558 1 504 . 1 1 60 60 LEU CB C 13 40.482 . . 1 . . . . . . . . 4558 1 505 . 1 1 60 60 LEU HB3 H 1 1.520 . . 2 . . . . . . . . 4558 1 506 . 1 1 60 60 LEU HB2 H 1 1.750 . . 2 . . . . . . . . 4558 1 507 . 1 1 60 60 LEU CG C 13 25.370 . . 1 . . . . . . . . 4558 1 508 . 1 1 60 60 LEU HG H 1 1.700 . . 1 . . . . . . . . 4558 1 509 . 1 1 60 60 LEU CD1 C 13 23.500 . . 1 . . . . . . . . 4558 1 510 . 1 1 60 60 LEU HD11 H 1 0.450 . . 1 . . . . . . . . 4558 1 511 . 1 1 60 60 LEU HD12 H 1 0.450 . . 1 . . . . . . . . 4558 1 512 . 1 1 60 60 LEU HD13 H 1 0.450 . . 1 . . . . . . . . 4558 1 513 . 1 1 60 60 LEU CD2 C 13 20.710 . . 2 . . . . . . . . 4558 1 514 . 1 1 60 60 LEU HD21 H 1 0.450 . . 1 . . . . . . . . 4558 1 515 . 1 1 60 60 LEU HD22 H 1 0.450 . . 1 . . . . . . . . 4558 1 516 . 1 1 60 60 LEU HD23 H 1 0.450 . . 1 . . . . . . . . 4558 1 517 . 1 1 60 60 LEU C C 13 178.512 . . 1 . . . . . . . . 4558 1 518 . 1 1 61 61 SER N N 15 115.824 . . 1 . . . . . . . . 4558 1 519 . 1 1 61 61 SER H H 1 7.873 . . 1 . . . . . . . . 4558 1 520 . 1 1 61 61 SER CA C 13 60.800 . . 1 . . . . . . . . 4558 1 521 . 1 1 61 61 SER HA H 1 4.250 . . 1 . . . . . . . . 4558 1 522 . 1 1 61 61 SER CB C 13 61.500 . . 1 . . . . . . . . 4558 1 523 . 1 1 61 61 SER HB3 H 1 4.000 . . 1 . . . . . . . . 4558 1 524 . 1 1 61 61 SER HB2 H 1 4.000 . . 1 . . . . . . . . 4558 1 525 . 1 1 61 61 SER C C 13 176.443 . . 1 . . . . . . . . 4558 1 526 . 1 1 62 62 HIS N N 15 121.392 . . 1 . . . . . . . . 4558 1 527 . 1 1 62 62 HIS H H 1 7.460 . . 1 . . . . . . . . 4558 1 528 . 1 1 62 62 HIS CA C 13 58.338 . . 1 . . . . . . . . 4558 1 529 . 1 1 62 62 HIS HA H 1 4.627 . . 1 . . . . . . . . 4558 1 530 . 1 1 62 62 HIS CB C 13 30.568 . . 1 . . . . . . . . 4558 1 531 . 1 1 62 62 HIS HB2 H 1 2.480 . . 1 . . . . . . . . 4558 1 532 . 1 1 62 62 HIS C C 13 176.408 . . 1 . . . . . . . . 4558 1 533 . 1 1 63 63 VAL N N 15 113.104 . . 1 . . . . . . . . 4558 1 534 . 1 1 63 63 VAL H H 1 7.583 . . 1 . . . . . . . . 4558 1 535 . 1 1 63 63 VAL CA C 13 59.275 . . 1 . . . . . . . . 4558 1 536 . 1 1 63 63 VAL HA H 1 4.753 . . 1 . . . . . . . . 4558 1 537 . 1 1 63 63 VAL CB C 13 30.461 . . 1 . . . . . . . . 4558 1 538 . 1 1 63 63 VAL C C 13 175.631 . . 1 . . . . . . . . 4558 1 539 . 1 1 64 64 ALA N N 15 129.529 . . 1 . . . . . . . . 4558 1 540 . 1 1 64 64 ALA H H 1 7.382 . . 1 . . . . . . . . 4558 1 541 . 1 1 64 64 ALA CA C 13 53.461 . . 1 . . . . . . . . 4558 1 542 . 1 1 64 64 ALA HA H 1 4.401 . . 1 . . . . . . . . 4558 1 543 . 1 1 64 64 ALA CB C 13 17.037 . . 1 . . . . . . . . 4558 1 544 . 1 1 64 64 ALA HB1 H 1 1.460 . . 1 . . . . . . . . 4558 1 545 . 1 1 64 64 ALA HB2 H 1 1.460 . . 1 . . . . . . . . 4558 1 546 . 1 1 64 64 ALA HB3 H 1 1.460 . . 1 . . . . . . . . 4558 1 547 . 1 1 64 64 ALA C C 13 178.118 . . 1 . . . . . . . . 4558 1 548 . 1 1 65 65 ASN N N 15 117.109 . . 1 . . . . . . . . 4558 1 549 . 1 1 65 65 ASN H H 1 8.851 . . 1 . . . . . . . . 4558 1 550 . 1 1 65 65 ASN CA C 13 53.231 . . 1 . . . . . . . . 4558 1 551 . 1 1 65 65 ASN HA H 1 4.542 . . 1 . . . . . . . . 4558 1 552 . 1 1 65 65 ASN CB C 13 37.378 . . 1 . . . . . . . . 4558 1 553 . 1 1 65 65 ASN HB2 H 1 3.050 . . 1 . . . . . . . . 4558 1 554 . 1 1 65 65 ASN C C 13 173.743 . . 1 . . . . . . . . 4558 1 555 . 1 1 66 66 VAL N N 15 123.533 . . 1 . . . . . . . . 4558 1 556 . 1 1 66 66 VAL H H 1 7.499 . . 1 . . . . . . . . 4558 1 557 . 1 1 66 66 VAL CA C 13 60.918 . . 1 . . . . . . . . 4558 1 558 . 1 1 66 66 VAL HA H 1 4.147 . . 1 . . . . . . . . 4558 1 559 . 1 1 66 66 VAL CB C 13 31.849 . . 1 . . . . . . . . 4558 1 560 . 1 1 66 66 VAL HB H 1 2.120 . . 1 . . . . . . . . 4558 1 561 . 1 1 66 66 VAL CG2 C 13 21.840 . . 2 . . . . . . . . 4558 1 562 . 1 1 66 66 VAL CG1 C 13 19.960 . . 2 . . . . . . . . 4558 1 563 . 1 1 66 66 VAL HG21 H 1 1.000 . . 2 . . . . . . . . 4558 1 564 . 1 1 66 66 VAL HG22 H 1 1.000 . . 2 . . . . . . . . 4558 1 565 . 1 1 66 66 VAL HG23 H 1 1.000 . . 2 . . . . . . . . 4558 1 566 . 1 1 66 66 VAL C C 13 174.200 . . 1 . . . . . . . . 4558 1 567 . 1 1 67 67 VAL N N 15 128.813 . . 1 . . . . . . . . 4558 1 568 . 1 1 67 67 VAL H H 1 8.166 . . 1 . . . . . . . . 4558 1 569 . 1 1 67 67 VAL CA C 13 62.611 . . 1 . . . . . . . . 4558 1 570 . 1 1 67 67 VAL HA H 1 3.984 . . 1 . . . . . . . . 4558 1 571 . 1 1 67 67 VAL CB C 13 30.859 . . 1 . . . . . . . . 4558 1 572 . 1 1 67 67 VAL HB H 1 1.970 . . 1 . . . . . . . . 4558 1 573 . 1 1 67 67 VAL CG2 C 13 21.170 . . 1 . . . . . . . . 4558 1 574 . 1 1 67 67 VAL HG11 H 1 0.880 . . 2 . . . . . . . . 4558 1 575 . 1 1 67 67 VAL HG12 H 1 0.880 . . 2 . . . . . . . . 4558 1 576 . 1 1 67 67 VAL HG13 H 1 0.880 . . 2 . . . . . . . . 4558 1 577 . 1 1 67 67 VAL CG1 C 13 20.700 . . 1 . . . . . . . . 4558 1 578 . 1 1 67 67 VAL HG21 H 1 0.980 . . 2 . . . . . . . . 4558 1 579 . 1 1 67 67 VAL HG22 H 1 0.980 . . 2 . . . . . . . . 4558 1 580 . 1 1 67 67 VAL HG23 H 1 0.980 . . 2 . . . . . . . . 4558 1 581 . 1 1 67 67 VAL C C 13 174.457 . . 1 . . . . . . . . 4558 1 582 . 1 1 68 68 LEU N N 15 131.242 . . 1 . . . . . . . . 4558 1 583 . 1 1 68 68 LEU H H 1 9.257 . . 1 . . . . . . . . 4558 1 584 . 1 1 68 68 LEU CA C 13 51.943 . . 1 . . . . . . . . 4558 1 585 . 1 1 68 68 LEU HA H 1 4.890 . . 1 . . . . . . . . 4558 1 586 . 1 1 68 68 LEU CB C 13 41.442 . . 1 . . . . . . . . 4558 1 587 . 1 1 68 68 LEU C C 13 177.114 . . 1 . . . . . . . . 4558 1 588 . 1 1 69 69 THR N N 15 116.851 . . 1 . . . . . . . . 4558 1 589 . 1 1 69 69 THR H H 1 9.193 . . 1 . . . . . . . . 4558 1 590 . 1 1 69 69 THR CA C 13 59.623 . . 1 . . . . . . . . 4558 1 591 . 1 1 69 69 THR HA H 1 5.014 . . 1 . . . . . . . . 4558 1 592 . 1 1 69 69 THR CB C 13 73.580 . . 1 . . . . . . . . 4558 1 593 . 1 1 69 69 THR C C 13 176.134 . . 1 . . . . . . . . 4558 1 594 . 1 1 70 70 GLN N N 15 122.766 . . 1 . . . . . . . . 4558 1 595 . 1 1 70 70 GLN H H 1 8.865 . . 1 . . . . . . . . 4558 1 596 . 1 1 70 70 GLN CA C 13 58.137 . . 1 . . . . . . . . 4558 1 597 . 1 1 70 70 GLN HA H 1 4.181 . . 1 . . . . . . . . 4558 1 598 . 1 1 70 70 GLN CB C 13 27.470 . . 1 . . . . . . . . 4558 1 599 . 1 1 70 70 GLN HB3 H 1 2.290 . . 2 . . . . . . . . 4558 1 600 . 1 1 70 70 GLN HB2 H 1 2.270 . . 2 . . . . . . . . 4558 1 601 . 1 1 70 70 GLN CG C 13 33.500 . . 1 . . . . . . . . 4558 1 602 . 1 1 70 70 GLN HG3 H 1 2.610 . . 2 . . . . . . . . 4558 1 603 . 1 1 70 70 GLN HG2 H 1 2.530 . . 2 . . . . . . . . 4558 1 604 . 1 1 70 70 GLN C C 13 178.077 . . 1 . . . . . . . . 4558 1 605 . 1 1 71 71 GLU N N 15 120.963 . . 1 . . . . . . . . 4558 1 606 . 1 1 71 71 GLU H H 1 8.006 . . 1 . . . . . . . . 4558 1 607 . 1 1 71 71 GLU CA C 13 58.615 . . 1 . . . . . . . . 4558 1 608 . 1 1 71 71 GLU HA H 1 4.117 . . 1 . . . . . . . . 4558 1 609 . 1 1 71 71 GLU CB C 13 28.505 . . 1 . . . . . . . . 4558 1 610 . 1 1 71 71 GLU HB2 H 1 1.930 . . 1 . . . . . . . . 4558 1 611 . 1 1 71 71 GLU CG C 13 36.040 . . 1 . . . . . . . . 4558 1 612 . 1 1 71 71 GLU HG2 H 1 2.350 . . 1 . . . . . . . . 4558 1 613 . 1 1 71 71 GLU C C 13 178.523 . . 1 . . . . . . . . 4558 1 614 . 1 1 72 72 ASP N N 15 122.306 . . 1 . . . . . . . . 4558 1 615 . 1 1 72 72 ASP H H 1 7.526 . . 1 . . . . . . . . 4558 1 616 . 1 1 72 72 ASP CA C 13 56.878 . . 1 . . . . . . . . 4558 1 617 . 1 1 72 72 ASP HA H 1 4.280 . . 1 . . . . . . . . 4558 1 618 . 1 1 72 72 ASP CB C 13 41.200 . . 1 . . . . . . . . 4558 1 619 . 1 1 72 72 ASP HB3 H 1 2.400 . . 1 . . . . . . . . 4558 1 620 . 1 1 72 72 ASP HB2 H 1 2.400 . . 1 . . . . . . . . 4558 1 621 . 1 1 72 72 ASP C C 13 178.256 . . 1 . . . . . . . . 4558 1 622 . 1 1 73 73 THR N N 15 113.255 . . 1 . . . . . . . . 4558 1 623 . 1 1 73 73 THR H H 1 8.582 . . 1 . . . . . . . . 4558 1 624 . 1 1 73 73 THR CA C 13 65.279 . . 1 . . . . . . . . 4558 1 625 . 1 1 73 73 THR HA H 1 3.711 . . 1 . . . . . . . . 4558 1 626 . 1 1 73 73 THR CB C 13 66.511 . . 1 . . . . . . . . 4558 1 627 . 1 1 73 73 THR HB H 1 4.260 . . 1 . . . . . . . . 4558 1 628 . 1 1 73 73 THR CG2 C 13 21.880 . . 1 . . . . . . . . 4558 1 629 . 1 1 73 73 THR C C 13 176.875 . . 1 . . . . . . . . 4558 1 630 . 1 1 74 74 ALA N N 15 127.387 . . 1 . . . . . . . . 4558 1 631 . 1 1 74 74 ALA H H 1 8.174 . . 1 . . . . . . . . 4558 1 632 . 1 1 74 74 ALA CA C 13 54.364 . . 1 . . . . . . . . 4558 1 633 . 1 1 74 74 ALA HA H 1 4.207 . . 1 . . . . . . . . 4558 1 634 . 1 1 74 74 ALA CB C 13 16.597 . . 1 . . . . . . . . 4558 1 635 . 1 1 74 74 ALA HB1 H 1 1.570 . . 1 . . . . . . . . 4558 1 636 . 1 1 74 74 ALA HB2 H 1 1.570 . . 1 . . . . . . . . 4558 1 637 . 1 1 74 74 ALA HB3 H 1 1.570 . . 1 . . . . . . . . 4558 1 638 . 1 1 74 74 ALA C C 13 180.585 . . 1 . . . . . . . . 4558 1 639 . 1 1 75 75 LYS N N 15 120.301 . . 1 . . . . . . . . 4558 1 640 . 1 1 75 75 LYS H H 1 7.372 . . 1 . . . . . . . . 4558 1 641 . 1 1 75 75 LYS CA C 13 58.656 . . 1 . . . . . . . . 4558 1 642 . 1 1 75 75 LYS HA H 1 4.135 . . 1 . . . . . . . . 4558 1 643 . 1 1 75 75 LYS CB C 13 31.849 . . 1 . . . . . . . . 4558 1 644 . 1 1 75 75 LYS HB3 H 1 1.750 . . 2 . . . . . . . . 4558 1 645 . 1 1 75 75 LYS HB2 H 1 1.880 . . 2 . . . . . . . . 4558 1 646 . 1 1 75 75 LYS CG C 13 23.740 . . 1 . . . . . . . . 4558 1 647 . 1 1 75 75 LYS HG3 H 1 1.230 . . 2 . . . . . . . . 4558 1 648 . 1 1 75 75 LYS HG2 H 1 1.360 . . 2 . . . . . . . . 4558 1 649 . 1 1 75 75 LYS CD C 13 28.400 . . 1 . . . . . . . . 4558 1 650 . 1 1 75 75 LYS HD3 H 1 1.690 . . 1 . . . . . . . . 4558 1 651 . 1 1 75 75 LYS HD2 H 1 1.690 . . 1 . . . . . . . . 4558 1 652 . 1 1 75 75 LYS CE C 13 41.000 . . 1 . . . . . . . . 4558 1 653 . 1 1 75 75 LYS HE2 H 1 3.000 . . 2 . . . . . . . . 4558 1 654 . 1 1 75 75 LYS C C 13 179.758 . . 1 . . . . . . . . 4558 1 655 . 1 1 76 76 LEU N N 15 122.339 . . 1 . . . . . . . . 4558 1 656 . 1 1 76 76 LEU H H 1 7.576 . . 1 . . . . . . . . 4558 1 657 . 1 1 76 76 LEU CA C 13 56.659 . . 1 . . . . . . . . 4558 1 658 . 1 1 76 76 LEU HA H 1 4.155 . . 1 . . . . . . . . 4558 1 659 . 1 1 76 76 LEU CB C 13 39.773 . . 1 . . . . . . . . 4558 1 660 . 1 1 76 76 LEU C C 13 178.784 . . 1 . . . . . . . . 4558 1 661 . 1 1 77 77 LEU N N 15 121.392 . . 1 . . . . . . . . 4558 1 662 . 1 1 77 77 LEU H H 1 8.331 . . 1 . . . . . . . . 4558 1 663 . 1 1 77 77 LEU CA C 13 56.376 . . 1 . . . . . . . . 4558 1 664 . 1 1 77 77 LEU HA H 1 4.314 . . 1 . . . . . . . . 4558 1 665 . 1 1 77 77 LEU C C 13 179.297 . . 1 . . . . . . . . 4558 1 666 . 1 1 78 78 GLN N N 15 120.963 . . 1 . . . . . . . . 4558 1 667 . 1 1 78 78 GLN H H 1 7.712 . . 1 . . . . . . . . 4558 1 668 . 1 1 78 78 GLN CA C 13 57.793 . . 1 . . . . . . . . 4558 1 669 . 1 1 78 78 GLN HA H 1 4.183 . . 1 . . . . . . . . 4558 1 670 . 1 1 78 78 GLN CB C 13 27.178 . . 1 . . . . . . . . 4558 1 671 . 1 1 78 78 GLN C C 13 178.450 . . 1 . . . . . . . . 4558 1 672 . 1 1 79 79 SER N N 15 118.198 . . 1 . . . . . . . . 4558 1 673 . 1 1 79 79 SER H H 1 7.636 . . 1 . . . . . . . . 4558 1 674 . 1 1 79 79 SER CA C 13 59.954 . . 1 . . . . . . . . 4558 1 675 . 1 1 79 79 SER HA H 1 4.389 . . 1 . . . . . . . . 4558 1 676 . 1 1 79 79 SER CB C 13 61.650 . . 1 . . . . . . . . 4558 1 677 . 1 1 79 79 SER HB3 H 1 4.000 . . 1 . . . . . . . . 4558 1 678 . 1 1 79 79 SER HB2 H 1 4.000 . . 1 . . . . . . . . 4558 1 679 . 1 1 79 79 SER C C 13 175.609 . . 1 . . . . . . . . 4558 1 680 . 1 1 80 80 THR N N 15 120.107 . . 1 . . . . . . . . 4558 1 681 . 1 1 80 80 THR H H 1 8.093 . . 1 . . . . . . . . 4558 1 682 . 1 1 80 80 THR CA C 13 64.072 . . 1 . . . . . . . . 4558 1 683 . 1 1 80 80 THR HA H 1 4.451 . . 1 . . . . . . . . 4558 1 684 . 1 1 80 80 THR CB C 13 67.800 . . 1 . . . . . . . . 4558 1 685 . 1 1 80 80 THR HB H 1 4.580 . . 1 . . . . . . . . 4558 1 686 . 1 1 80 80 THR CG2 C 13 20.780 . . 1 . . . . . . . . 4558 1 687 . 1 1 80 80 THR HG21 H 1 1.390 . . 1 . . . . . . . . 4558 1 688 . 1 1 80 80 THR HG22 H 1 1.390 . . 1 . . . . . . . . 4558 1 689 . 1 1 80 80 THR HG23 H 1 1.390 . . 1 . . . . . . . . 4558 1 690 . 1 1 80 80 THR C C 13 176.413 . . 1 . . . . . . . . 4558 1 691 . 1 1 81 81 VAL N N 15 122.865 . . 1 . . . . . . . . 4558 1 692 . 1 1 81 81 VAL H H 1 7.851 . . 1 . . . . . . . . 4558 1 693 . 1 1 81 81 VAL CA C 13 57.620 . . 1 . . . . . . . . 4558 1 694 . 1 1 81 81 VAL HA H 1 3.912 . . 1 . . . . . . . . 4558 1 695 . 1 1 81 81 VAL C C 13 177.844 . . 1 . . . . . . . . 4558 1 696 . 1 1 88 88 TYR N N 15 118.394 . . 1 . . . . . . . . 4558 1 697 . 1 1 88 88 TYR H H 1 7.652 . . 1 . . . . . . . . 4558 1 698 . 1 1 88 88 TYR CA C 13 57.264 . . 1 . . . . . . . . 4558 1 699 . 1 1 88 88 TYR HA H 1 4.864 . . 1 . . . . . . . . 4558 1 700 . 1 1 88 88 TYR CB C 13 39.400 . . 1 . . . . . . . . 4558 1 701 . 1 1 88 88 TYR C C 13 173.381 . . 1 . . . . . . . . 4558 1 702 . 1 1 89 89 ASP N N 15 125.921 . . 1 . . . . . . . . 4558 1 703 . 1 1 89 89 ASP H H 1 8.121 . . 1 . . . . . . . . 4558 1 704 . 1 1 89 89 ASP CA C 13 52.717 . . 1 . . . . . . . . 4558 1 705 . 1 1 89 89 ASP HA H 1 4.962 . . 1 . . . . . . . . 4558 1 706 . 1 1 89 89 ASP CB C 13 39.269 . . 1 . . . . . . . . 4558 1 707 . 1 1 89 89 ASP C C 13 173.789 . . 1 . . . . . . . . 4558 1 708 . 1 1 90 90 LEU N N 15 126.959 . . 1 . . . . . . . . 4558 1 709 . 1 1 90 90 LEU H H 1 8.055 . . 1 . . . . . . . . 4558 1 710 . 1 1 90 90 LEU CA C 13 52.601 . . 1 . . . . . . . . 4558 1 711 . 1 1 90 90 LEU HA H 1 5.218 . . 1 . . . . . . . . 4558 1 712 . 1 1 90 90 LEU CB C 13 43.515 . . 1 . . . . . . . . 4558 1 713 . 1 1 90 90 LEU C C 13 176.387 . . 1 . . . . . . . . 4558 1 714 . 1 1 91 91 ARG N N 15 125.001 . . 1 . . . . . . . . 4558 1 715 . 1 1 91 91 ARG H H 1 9.181 . . 1 . . . . . . . . 4558 1 716 . 1 1 91 91 ARG CA C 13 52.738 . . 1 . . . . . . . . 4558 1 717 . 1 1 91 91 ARG HA H 1 4.870 . . 1 . . . . . . . . 4558 1 718 . 1 1 91 91 ARG CB C 13 31.660 . . 1 . . . . . . . . 4558 1 719 . 1 1 91 91 ARG HB2 H 1 1.800 . . 2 . . . . . . . . 4558 1 720 . 1 1 91 91 ARG CG C 13 26.300 . . 1 . . . . . . . . 4558 1 721 . 1 1 91 91 ARG HG2 H 1 1.570 . . 2 . . . . . . . . 4558 1 722 . 1 1 91 91 ARG CD C 13 42.380 . . 1 . . . . . . . . 4558 1 723 . 1 1 91 91 ARG HD2 H 1 3.230 . . 2 . . . . . . . . 4558 1 724 . 1 1 91 91 ARG C C 13 175.304 . . 1 . . . . . . . . 4558 1 725 . 1 1 92 92 SER N N 15 122.248 . . 1 . . . . . . . . 4558 1 726 . 1 1 92 92 SER H H 1 8.756 . . 1 . . . . . . . . 4558 1 727 . 1 1 92 92 SER CA C 13 58.044 . . 1 . . . . . . . . 4558 1 728 . 1 1 92 92 SER HA H 1 4.753 . . 1 . . . . . . . . 4558 1 729 . 1 1 92 92 SER CB C 13 62.754 . . 1 . . . . . . . . 4558 1 730 . 1 1 92 92 SER C C 13 176.012 . . 1 . . . . . . . . 4558 1 731 . 1 1 93 93 VAL N N 15 121.392 . . 1 . . . . . . . . 4558 1 732 . 1 1 93 93 VAL H H 1 8.185 . . 1 . . . . . . . . 4558 1 733 . 1 1 93 93 VAL CA C 13 59.652 . . 1 . . . . . . . . 4558 1 734 . 1 1 93 93 VAL HA H 1 4.780 . . 1 . . . . . . . . 4558 1 735 . 1 1 93 93 VAL CB C 13 30.960 . . 1 . . . . . . . . 4558 1 736 . 1 1 93 93 VAL HB H 1 2.530 . . 1 . . . . . . . . 4558 1 737 . 1 1 93 93 VAL CG2 C 13 20.500 . . 1 . . . . . . . . 4558 1 738 . 1 1 93 93 VAL HG11 H 1 1.200 . . 2 . . . . . . . . 4558 1 739 . 1 1 93 93 VAL HG12 H 1 1.200 . . 2 . . . . . . . . 4558 1 740 . 1 1 93 93 VAL HG13 H 1 1.200 . . 2 . . . . . . . . 4558 1 741 . 1 1 93 93 VAL CG1 C 13 21.400 . . 1 . . . . . . . . 4558 1 742 . 1 1 93 93 VAL HG21 H 1 1.000 . . 1 . . . . . . . . 4558 1 743 . 1 1 93 93 VAL HG22 H 1 1.000 . . 1 . . . . . . . . 4558 1 744 . 1 1 93 93 VAL HG23 H 1 1.000 . . 1 . . . . . . . . 4558 1 745 . 1 1 93 93 VAL C C 13 175.509 . . 1 . . . . . . . . 4558 1 746 . 1 1 94 94 GLY N N 15 112.611 . . 1 . . . . . . . . 4558 1 747 . 1 1 94 94 GLY H H 1 7.724 . . 1 . . . . . . . . 4558 1 748 . 1 1 94 94 GLY CA C 13 43.783 . . 1 . . . . . . . . 4558 1 749 . 1 1 94 94 GLY C C 13 173.763 . . 1 . . . . . . . . 4558 1 750 . 1 1 95 95 ASN N N 15 118.394 . . 1 . . . . . . . . 4558 1 751 . 1 1 95 95 ASN H H 1 8.856 . . 1 . . . . . . . . 4558 1 752 . 1 1 95 95 ASN CA C 13 53.525 . . 1 . . . . . . . . 4558 1 753 . 1 1 95 95 ASN C C 13 174.270 . . 1 . . . . . . . . 4558 1 754 . 1 1 96 96 GLY N N 15 107.259 . . 1 . . . . . . . . 4558 1 755 . 1 1 96 96 GLY H H 1 8.311 . . 1 . . . . . . . . 4558 1 756 . 1 1 96 96 GLY CA C 13 44.557 . . 1 . . . . . . . . 4558 1 757 . 1 1 96 96 GLY C C 13 173.560 . . 1 . . . . . . . . 4558 1 758 . 1 1 97 97 ASN N N 15 120.963 . . 1 . . . . . . . . 4558 1 759 . 1 1 97 97 ASN H H 1 7.745 . . 1 . . . . . . . . 4558 1 760 . 1 1 97 97 ASN CA C 13 51.669 . . 1 . . . . . . . . 4558 1 761 . 1 1 97 97 ASN HA H 1 5.382 . . 1 . . . . . . . . 4558 1 762 . 1 1 97 97 ASN CB C 13 39.535 . . 1 . . . . . . . . 4558 1 763 . 1 1 97 97 ASN C C 13 176.472 . . 1 . . . . . . . . 4558 1 764 . 1 1 98 98 SER N N 15 119.480 . . 1 . . . . . . . . 4558 1 765 . 1 1 98 98 SER H H 1 9.242 . . 1 . . . . . . . . 4558 1 766 . 1 1 98 98 SER CA C 13 57.559 . . 1 . . . . . . . . 4558 1 767 . 1 1 98 98 SER HA H 1 5.726 . . 1 . . . . . . . . 4558 1 768 . 1 1 98 98 SER CB C 13 66.984 . . 1 . . . . . . . . 4558 1 769 . 1 1 98 98 SER HB2 H 1 3.760 . . 1 . . . . . . . . 4558 1 770 . 1 1 98 98 SER C C 13 170.562 . . 1 . . . . . . . . 4558 1 771 . 1 1 99 99 VAL N N 15 118.034 . . 1 . . . . . . . . 4558 1 772 . 1 1 99 99 VAL H H 1 8.773 . . 1 . . . . . . . . 4558 1 773 . 1 1 99 99 VAL CA C 13 59.209 . . 1 . . . . . . . . 4558 1 774 . 1 1 99 99 VAL HA H 1 4.690 . . 1 . . . . . . . . 4558 1 775 . 1 1 99 99 VAL CB C 13 34.559 . . 1 . . . . . . . . 4558 1 776 . 1 1 99 99 VAL HB H 1 2.000 . . 1 . . . . . . . . 4558 1 777 . 1 1 99 99 VAL CG2 C 13 20.470 . . 1 . . . . . . . . 4558 1 778 . 1 1 99 99 VAL HG11 H 1 0.970 . . 2 . . . . . . . . 4558 1 779 . 1 1 99 99 VAL HG12 H 1 0.970 . . 2 . . . . . . . . 4558 1 780 . 1 1 99 99 VAL HG13 H 1 0.970 . . 2 . . . . . . . . 4558 1 781 . 1 1 99 99 VAL CG1 C 13 18.850 . . 1 . . . . . . . . 4558 1 782 . 1 1 99 99 VAL HG21 H 1 0.920 . . 2 . . . . . . . . 4558 1 783 . 1 1 99 99 VAL HG22 H 1 0.920 . . 2 . . . . . . . . 4558 1 784 . 1 1 99 99 VAL HG23 H 1 0.920 . . 2 . . . . . . . . 4558 1 785 . 1 1 99 99 VAL C C 13 174.131 . . 1 . . . . . . . . 4558 1 786 . 1 1 100 100 LEU N N 15 129.529 . . 1 . . . . . . . . 4558 1 787 . 1 1 100 100 LEU H H 1 9.820 . . 1 . . . . . . . . 4558 1 788 . 1 1 100 100 LEU CA C 13 53.705 . . 1 . . . . . . . . 4558 1 789 . 1 1 100 100 LEU HA H 1 4.675 . . 1 . . . . . . . . 4558 1 790 . 1 1 100 100 LEU CB C 13 41.193 . . 1 . . . . . . . . 4558 1 791 . 1 1 100 100 LEU HB3 H 1 1.740 . . 1 . . . . . . . . 4558 1 792 . 1 1 100 100 LEU HB2 H 1 1.740 . . 1 . . . . . . . . 4558 1 793 . 1 1 100 100 LEU CG C 13 26.110 . . 1 . . . . . . . . 4558 1 794 . 1 1 100 100 LEU CD1 C 13 25.100 . . 2 . . . . . . . . 4558 1 795 . 1 1 100 100 LEU HD11 H 1 0.990 . . 2 . . . . . . . . 4558 1 796 . 1 1 100 100 LEU HD12 H 1 0.990 . . 2 . . . . . . . . 4558 1 797 . 1 1 100 100 LEU HD13 H 1 0.990 . . 2 . . . . . . . . 4558 1 798 . 1 1 100 100 LEU C C 13 175.093 . . 1 . . . . . . . . 4558 1 799 . 1 1 101 101 VAL N N 15 126.531 . . 1 . . . . . . . . 4558 1 800 . 1 1 101 101 VAL H H 1 8.600 . . 1 . . . . . . . . 4558 1 801 . 1 1 101 101 VAL CA C 13 62.532 . . 1 . . . . . . . . 4558 1 802 . 1 1 101 101 VAL HA H 1 4.210 . . 1 . . . . . . . . 4558 1 803 . 1 1 101 101 VAL CB C 13 31.673 . . 1 . . . . . . . . 4558 1 804 . 1 1 101 101 VAL HB H 1 2.170 . . 1 . . . . . . . . 4558 1 805 . 1 1 101 101 VAL CG1 C 13 19.500 . . 1 . . . . . . . . 4558 1 806 . 1 1 101 101 VAL HG21 H 1 1.050 . . 2 . . . . . . . . 4558 1 807 . 1 1 101 101 VAL HG22 H 1 1.050 . . 2 . . . . . . . . 4558 1 808 . 1 1 101 101 VAL HG23 H 1 1.050 . . 2 . . . . . . . . 4558 1 809 . 1 1 101 101 VAL C C 13 176.234 . . 1 . . . . . . . . 4558 1 810 . 1 1 102 102 SER N N 15 112.398 . . 1 . . . . . . . . 4558 1 811 . 1 1 102 102 SER H H 1 7.466 . . 1 . . . . . . . . 4558 1 812 . 1 1 102 102 SER CA C 13 57.062 . . 1 . . . . . . . . 4558 1 813 . 1 1 102 102 SER HA H 1 4.587 . . 1 . . . . . . . . 4558 1 814 . 1 1 102 102 SER CB C 13 63.898 . . 1 . . . . . . . . 4558 1 815 . 1 1 102 102 SER HB3 H 1 4.080 . . 1 . . . . . . . . 4558 1 816 . 1 1 102 102 SER HB2 H 1 4.080 . . 1 . . . . . . . . 4558 1 817 . 1 1 102 102 SER C C 13 171.573 . . 1 . . . . . . . . 4558 1 818 . 1 1 103 103 LEU N N 15 121.392 . . 1 . . . . . . . . 4558 1 819 . 1 1 103 103 LEU H H 1 8.559 . . 1 . . . . . . . . 4558 1 820 . 1 1 103 103 LEU CA C 13 51.857 . . 1 . . . . . . . . 4558 1 821 . 1 1 103 103 LEU HA H 1 5.310 . . 1 . . . . . . . . 4558 1 822 . 1 1 103 103 LEU CB C 13 44.179 . . 1 . . . . . . . . 4558 1 823 . 1 1 103 103 LEU CG C 13 26.300 . . 1 . . . . . . . . 4558 1 824 . 1 1 103 103 LEU HG H 1 1.000 . . 1 . . . . . . . . 4558 1 825 . 1 1 103 103 LEU CD1 C 13 23.600 . . 2 . . . . . . . . 4558 1 826 . 1 1 103 103 LEU HD11 H 1 1.080 . . 2 . . . . . . . . 4558 1 827 . 1 1 103 103 LEU HD12 H 1 1.080 . . 2 . . . . . . . . 4558 1 828 . 1 1 103 103 LEU HD13 H 1 1.080 . . 2 . . . . . . . . 4558 1 829 . 1 1 103 103 LEU CD2 C 13 23.430 . . 2 . . . . . . . . 4558 1 830 . 1 1 103 103 LEU C C 13 177.937 . . 1 . . . . . . . . 4558 1 831 . 1 1 104 104 ARG N N 15 120.268 . . 1 . . . . . . . . 4558 1 832 . 1 1 104 104 ARG H H 1 8.015 . . 1 . . . . . . . . 4558 1 833 . 1 1 104 104 ARG CA C 13 54.782 . . 1 . . . . . . . . 4558 1 834 . 1 1 104 104 ARG HA H 1 4.430 . . 1 . . . . . . . . 4558 1 835 . 1 1 104 104 ARG CB C 13 28.592 . . 1 . . . . . . . . 4558 1 836 . 1 1 104 104 ARG C C 13 174.532 . . 1 . . . . . . . . 4558 1 837 . 1 1 105 105 SER N N 15 117.109 . . 1 . . . . . . . . 4558 1 838 . 1 1 105 105 SER H H 1 7.541 . . 1 . . . . . . . . 4558 1 839 . 1 1 105 105 SER CA C 13 57.347 . . 1 . . . . . . . . 4558 1 840 . 1 1 105 105 SER HA H 1 4.329 . . 1 . . . . . . . . 4558 1 841 . 1 1 105 105 SER CB C 13 64.087 . . 1 . . . . . . . . 4558 1 842 . 1 1 105 105 SER HB3 H 1 3.930 . . 1 . . . . . . . . 4558 1 843 . 1 1 105 105 SER HB2 H 1 3.930 . . 1 . . . . . . . . 4558 1 844 . 1 1 105 105 SER C C 13 171.766 . . 1 . . . . . . . . 4558 1 845 . 1 1 106 106 ASP N N 15 118.822 . . 1 . . . . . . . . 4558 1 846 . 1 1 106 106 ASP H H 1 8.223 . . 1 . . . . . . . . 4558 1 847 . 1 1 106 106 ASP CA C 13 53.159 . . 1 . . . . . . . . 4558 1 848 . 1 1 106 106 ASP HA H 1 5.170 . . 1 . . . . . . . . 4558 1 849 . 1 1 106 106 ASP CB C 13 41.700 . . 1 . . . . . . . . 4558 1 850 . 1 1 106 106 ASP HB3 H 1 3.100 . . 1 . . . . . . . . 4558 1 851 . 1 1 106 106 ASP HB2 H 1 3.100 . . 1 . . . . . . . . 4558 1 852 . 1 1 106 106 ASP C C 13 171.130 . . 1 . . . . . . . . 4558 1 853 . 1 1 107 107 GLN N N 15 113.255 . . 1 . . . . . . . . 4558 1 854 . 1 1 107 107 GLN H H 1 8.011 . . 1 . . . . . . . . 4558 1 855 . 1 1 107 107 GLN CA C 13 53.222 . . 1 . . . . . . . . 4558 1 856 . 1 1 107 107 GLN HA H 1 5.028 . . 1 . . . . . . . . 4558 1 857 . 1 1 107 107 GLN CB C 13 35.057 . . 1 . . . . . . . . 4558 1 858 . 1 1 107 107 GLN C C 13 174.618 . . 1 . . . . . . . . 4558 1 859 . 1 1 108 108 MET N N 15 122.676 . . 1 . . . . . . . . 4558 1 860 . 1 1 108 108 MET H H 1 9.337 . . 1 . . . . . . . . 4558 1 861 . 1 1 108 108 MET CA C 13 53.961 . . 1 . . . . . . . . 4558 1 862 . 1 1 108 108 MET HA H 1 4.761 . . 1 . . . . . . . . 4558 1 863 . 1 1 108 108 MET CB C 13 36.830 . . 1 . . . . . . . . 4558 1 864 . 1 1 108 108 MET C C 13 175.266 . . 1 . . . . . . . . 4558 1 865 . 1 1 109 109 THR N N 15 119.414 . . 1 . . . . . . . . 4558 1 866 . 1 1 109 109 THR H H 1 8.518 . . 1 . . . . . . . . 4558 1 867 . 1 1 109 109 THR CA C 13 60.591 . . 1 . . . . . . . . 4558 1 868 . 1 1 109 109 THR HA H 1 4.519 . . 1 . . . . . . . . 4558 1 869 . 1 1 109 109 THR CB C 13 68.500 . . 1 . . . . . . . . 4558 1 870 . 1 1 109 109 THR CG2 C 13 21.150 . . 1 . . . . . . . . 4558 1 871 . 1 1 109 109 THR HG21 H 1 0.760 . . 1 . . . . . . . . 4558 1 872 . 1 1 109 109 THR HG22 H 1 0.760 . . 1 . . . . . . . . 4558 1 873 . 1 1 109 109 THR HG23 H 1 0.760 . . 1 . . . . . . . . 4558 1 874 . 1 1 109 109 THR C C 13 175.406 . . 1 . . . . . . . . 4558 1 875 . 1 1 110 110 LEU N N 15 125.246 . . 1 . . . . . . . . 4558 1 876 . 1 1 110 110 LEU H H 1 8.566 . . 1 . . . . . . . . 4558 1 877 . 1 1 110 110 LEU CA C 13 57.432 . . 1 . . . . . . . . 4558 1 878 . 1 1 110 110 LEU HA H 1 4.031 . . 1 . . . . . . . . 4558 1 879 . 1 1 110 110 LEU CB C 13 41.110 . . 1 . . . . . . . . 4558 1 880 . 1 1 110 110 LEU C C 13 178.077 . . 1 . . . . . . . . 4558 1 881 . 1 1 111 111 GLN N N 15 120.107 . . 1 . . . . . . . . 4558 1 882 . 1 1 111 111 GLN H H 1 9.316 . . 1 . . . . . . . . 4558 1 883 . 1 1 111 111 GLN CA C 13 57.758 . . 1 . . . . . . . . 4558 1 884 . 1 1 111 111 GLN HA H 1 4.006 . . 1 . . . . . . . . 4558 1 885 . 1 1 111 111 GLN CB C 13 27.095 . . 1 . . . . . . . . 4558 1 886 . 1 1 111 111 GLN HB2 H 1 2.240 . . 2 . . . . . . . . 4558 1 887 . 1 1 111 111 GLN CG C 13 32.940 . . 1 . . . . . . . . 4558 1 888 . 1 1 111 111 GLN HG2 H 1 2.530 . . 2 . . . . . . . . 4558 1 889 . 1 1 111 111 GLN C C 13 177.260 . . 1 . . . . . . . . 4558 1 890 . 1 1 112 112 ASP N N 15 123.686 . . 1 . . . . . . . . 4558 1 891 . 1 1 112 112 ASP H H 1 7.327 . . 1 . . . . . . . . 4558 1 892 . 1 1 112 112 ASP CA C 13 56.097 . . 1 . . . . . . . . 4558 1 893 . 1 1 112 112 ASP HA H 1 4.221 . . 1 . . . . . . . . 4558 1 894 . 1 1 112 112 ASP CB C 13 37.739 . . 1 . . . . . . . . 4558 1 895 . 1 1 112 112 ASP HB3 H 1 2.800 . . 2 . . . . . . . . 4558 1 896 . 1 1 112 112 ASP HB2 H 1 2.900 . . 2 . . . . . . . . 4558 1 897 . 1 1 112 112 ASP C C 13 177.835 . . 1 . . . . . . . . 4558 1 898 . 1 1 113 113 ALA N N 15 122.676 . . 1 . . . . . . . . 4558 1 899 . 1 1 113 113 ALA H H 1 8.241 . . 1 . . . . . . . . 4558 1 900 . 1 1 113 113 ALA CA C 13 54.155 . . 1 . . . . . . . . 4558 1 901 . 1 1 113 113 ALA HA H 1 4.147 . . 1 . . . . . . . . 4558 1 902 . 1 1 113 113 ALA CB C 13 18.969 . . 1 . . . . . . . . 4558 1 903 . 1 1 113 113 ALA HB1 H 1 1.760 . . 1 . . . . . . . . 4558 1 904 . 1 1 113 113 ALA HB2 H 1 1.760 . . 1 . . . . . . . . 4558 1 905 . 1 1 113 113 ALA HB3 H 1 1.760 . . 1 . . . . . . . . 4558 1 906 . 1 1 113 113 ALA C C 13 178.530 . . 1 . . . . . . . . 4558 1 907 . 1 1 114 114 LYS N N 15 120.963 . . 1 . . . . . . . . 4558 1 908 . 1 1 114 114 LYS H H 1 8.268 . . 1 . . . . . . . . 4558 1 909 . 1 1 114 114 LYS CA C 13 60.481 . . 1 . . . . . . . . 4558 1 910 . 1 1 114 114 LYS HA H 1 3.742 . . 1 . . . . . . . . 4558 1 911 . 1 1 114 114 LYS CB C 13 32.154 . . 1 . . . . . . . . 4558 1 912 . 1 1 114 114 LYS HB2 H 1 2.250 . . 2 . . . . . . . . 4558 1 913 . 1 1 114 114 LYS CE C 13 40.176 . . 1 . . . . . . . . 4558 1 914 . 1 1 114 114 LYS C C 13 176.999 . . 1 . . . . . . . . 4558 1 915 . 1 1 115 115 VAL N N 15 119.679 . . 1 . . . . . . . . 4558 1 916 . 1 1 115 115 VAL H H 1 7.201 . . 1 . . . . . . . . 4558 1 917 . 1 1 115 115 VAL CA C 13 65.068 . . 1 . . . . . . . . 4558 1 918 . 1 1 115 115 VAL HA H 1 3.940 . . 1 . . . . . . . . 4558 1 919 . 1 1 115 115 VAL CB C 13 30.960 . . 1 . . . . . . . . 4558 1 920 . 1 1 115 115 VAL HB H 1 2.230 . . 1 . . . . . . . . 4558 1 921 . 1 1 115 115 VAL CG2 C 13 20.000 . . 2 . . . . . . . . 4558 1 922 . 1 1 115 115 VAL HG11 H 1 1.150 . . 2 . . . . . . . . 4558 1 923 . 1 1 115 115 VAL HG12 H 1 1.150 . . 2 . . . . . . . . 4558 1 924 . 1 1 115 115 VAL HG13 H 1 1.150 . . 2 . . . . . . . . 4558 1 925 . 1 1 115 115 VAL CG1 C 13 21.910 . . 2 . . . . . . . . 4558 1 926 . 1 1 115 115 VAL HG21 H 1 1.070 . . 2 . . . . . . . . 4558 1 927 . 1 1 115 115 VAL HG22 H 1 1.070 . . 2 . . . . . . . . 4558 1 928 . 1 1 115 115 VAL HG23 H 1 1.070 . . 2 . . . . . . . . 4558 1 929 . 1 1 115 115 VAL C C 13 179.083 . . 1 . . . . . . . . 4558 1 930 . 1 1 116 116 LEU N N 15 122.252 . . 1 . . . . . . . . 4558 1 931 . 1 1 116 116 LEU H H 1 7.853 . . 1 . . . . . . . . 4558 1 932 . 1 1 116 116 LEU CA C 13 57.053 . . 1 . . . . . . . . 4558 1 933 . 1 1 116 116 LEU HA H 1 3.897 . . 1 . . . . . . . . 4558 1 934 . 1 1 116 116 LEU CB C 13 40.364 . . 1 . . . . . . . . 4558 1 935 . 1 1 116 116 LEU HB2 H 1 1.740 . . 1 . . . . . . . . 4558 1 936 . 1 1 116 116 LEU CG C 13 27.500 . . 1 . . . . . . . . 4558 1 937 . 1 1 116 116 LEU CD1 C 13 25.960 . . 1 . . . . . . . . 4558 1 938 . 1 1 116 116 LEU HD11 H 1 0.840 . . 1 . . . . . . . . 4558 1 939 . 1 1 116 116 LEU HD12 H 1 0.840 . . 1 . . . . . . . . 4558 1 940 . 1 1 116 116 LEU HD13 H 1 0.840 . . 1 . . . . . . . . 4558 1 941 . 1 1 116 116 LEU C C 13 177.824 . . 1 . . . . . . . . 4558 1 942 . 1 1 117 117 LEU N N 15 118.822 . . 1 . . . . . . . . 4558 1 943 . 1 1 117 117 LEU H H 1 9.001 . . 1 . . . . . . . . 4558 1 944 . 1 1 117 117 LEU CA C 13 56.354 . . 1 . . . . . . . . 4558 1 945 . 1 1 117 117 LEU HA H 1 3.995 . . 1 . . . . . . . . 4558 1 946 . 1 1 117 117 LEU CB C 13 40.696 . . 1 . . . . . . . . 4558 1 947 . 1 1 117 117 LEU C C 13 178.947 . . 1 . . . . . . . . 4558 1 948 . 1 1 118 118 GLU N N 15 120.334 . . 1 . . . . . . . . 4558 1 949 . 1 1 118 118 GLU H H 1 8.318 . . 1 . . . . . . . . 4558 1 950 . 1 1 118 118 GLU CA C 13 59.108 . . 1 . . . . . . . . 4558 1 951 . 1 1 118 118 GLU HA H 1 3.765 . . 1 . . . . . . . . 4558 1 952 . 1 1 118 118 GLU CB C 13 27.095 . . 1 . . . . . . . . 4558 1 953 . 1 1 118 118 GLU HB2 H 1 1.970 . . 2 . . . . . . . . 4558 1 954 . 1 1 118 118 GLU CG C 13 37.600 . . 1 . . . . . . . . 4558 1 955 . 1 1 118 118 GLU HG2 H 1 2.770 . . 2 . . . . . . . . 4558 1 956 . 1 1 118 118 GLU C C 13 178.972 . . 1 . . . . . . . . 4558 1 957 . 1 1 119 119 ALA N N 15 126.531 . . 1 . . . . . . . . 4558 1 958 . 1 1 119 119 ALA H H 1 7.631 . . 1 . . . . . . . . 4558 1 959 . 1 1 119 119 ALA CA C 13 54.289 . . 1 . . . . . . . . 4558 1 960 . 1 1 119 119 ALA HA H 1 4.207 . . 1 . . . . . . . . 4558 1 961 . 1 1 119 119 ALA CB C 13 16.980 . . 1 . . . . . . . . 4558 1 962 . 1 1 119 119 ALA HB1 H 1 1.610 . . 1 . . . . . . . . 4558 1 963 . 1 1 119 119 ALA HB2 H 1 1.610 . . 1 . . . . . . . . 4558 1 964 . 1 1 119 119 ALA HB3 H 1 1.610 . . 1 . . . . . . . . 4558 1 965 . 1 1 119 119 ALA C C 13 179.780 . . 1 . . . . . . . . 4558 1 966 . 1 1 120 120 ALA N N 15 123.533 . . 1 . . . . . . . . 4558 1 967 . 1 1 120 120 ALA H H 1 7.690 . . 1 . . . . . . . . 4558 1 968 . 1 1 120 120 ALA CA C 13 54.202 . . 1 . . . . . . . . 4558 1 969 . 1 1 120 120 ALA HA H 1 4.203 . . 1 . . . . . . . . 4558 1 970 . 1 1 120 120 ALA CB C 13 17.242 . . 1 . . . . . . . . 4558 1 971 . 1 1 120 120 ALA HB1 H 1 1.680 . . 1 . . . . . . . . 4558 1 972 . 1 1 120 120 ALA HB2 H 1 1.680 . . 1 . . . . . . . . 4558 1 973 . 1 1 120 120 ALA HB3 H 1 1.680 . . 1 . . . . . . . . 4558 1 974 . 1 1 120 120 ALA C C 13 179.995 . . 1 . . . . . . . . 4558 1 975 . 1 1 121 121 LEU N N 15 123.105 . . 1 . . . . . . . . 4558 1 976 . 1 1 121 121 LEU H H 1 8.395 . . 1 . . . . . . . . 4558 1 977 . 1 1 121 121 LEU CA C 13 56.754 . . 1 . . . . . . . . 4558 1 978 . 1 1 121 121 LEU HA H 1 3.976 . . 1 . . . . . . . . 4558 1 979 . 1 1 121 121 LEU CB C 13 41.193 . . 1 . . . . . . . . 4558 1 980 . 1 1 121 121 LEU CG C 13 26.029 . . 1 . . . . . . . . 4558 1 981 . 1 1 121 121 LEU CD1 C 13 23.780 . . 2 . . . . . . . . 4558 1 982 . 1 1 121 121 LEU HD11 H 1 0.330 . . 4 . . . . . . . . 4558 1 983 . 1 1 121 121 LEU HD12 H 1 0.330 . . 4 . . . . . . . . 4558 1 984 . 1 1 121 121 LEU HD13 H 1 0.330 . . 4 . . . . . . . . 4558 1 985 . 1 1 121 121 LEU CD2 C 13 22.403 . . 2 . . . . . . . . 4558 1 986 . 1 1 121 121 LEU C C 13 178.828 . . 1 . . . . . . . . 4558 1 987 . 1 1 122 122 ARG N N 15 122.676 . . 1 . . . . . . . . 4558 1 988 . 1 1 122 122 ARG H H 1 7.768 . . 1 . . . . . . . . 4558 1 989 . 1 1 122 122 ARG CA C 13 58.029 . . 1 . . . . . . . . 4558 1 990 . 1 1 122 122 ARG HA H 1 4.114 . . 1 . . . . . . . . 4558 1 991 . 1 1 122 122 ARG CB C 13 29.086 . . 1 . . . . . . . . 4558 1 992 . 1 1 122 122 ARG HB3 H 1 2.400 . . 2 . . . . . . . . 4558 1 993 . 1 1 122 122 ARG HB2 H 1 2.100 . . 1 . . . . . . . . 4558 1 994 . 1 1 122 122 ARG CG C 13 26.800 . . 1 . . . . . . . . 4558 1 995 . 1 1 122 122 ARG HG3 H 1 1.700 . . 2 . . . . . . . . 4558 1 996 . 1 1 122 122 ARG HG2 H 1 1.930 . . 1 . . . . . . . . 4558 1 997 . 1 1 122 122 ARG CD C 13 42.119 . . 1 . . . . . . . . 4558 1 998 . 1 1 122 122 ARG HD3 H 1 3.370 . . 1 . . . . . . . . 4558 1 999 . 1 1 122 122 ARG HD2 H 1 3.370 . . 1 . . . . . . . . 4558 1 1000 . 1 1 122 122 ARG C C 13 178.134 . . 1 . . . . . . . . 4558 1 1001 . 1 1 123 123 GLN N N 15 120.535 . . 1 . . . . . . . . 4558 1 1002 . 1 1 123 123 GLN H H 1 7.621 . . 1 . . . . . . . . 4558 1 1003 . 1 1 123 123 GLN CA C 13 56.808 . . 1 . . . . . . . . 4558 1 1004 . 1 1 123 123 GLN HA H 1 4.300 . . 1 . . . . . . . . 4558 1 1005 . 1 1 123 123 GLN CB C 13 27.886 . . 1 . . . . . . . . 4558 1 1006 . 1 1 123 123 GLN HB3 H 1 2.290 . . 2 . . . . . . . . 4558 1 1007 . 1 1 123 123 GLN HB2 H 1 2.390 . . 2 . . . . . . . . 4558 1 1008 . 1 1 123 123 GLN CG C 13 33.100 . . 1 . . . . . . . . 4558 1 1009 . 1 1 123 123 GLN HG3 H 1 2.570 . . 2 . . . . . . . . 4558 1 1010 . 1 1 123 123 GLN HG2 H 1 2.700 . . 2 . . . . . . . . 4558 1 1011 . 1 1 124 124 GLU N N 15 122.248 . . 1 . . . . . . . . 4558 1 1012 . 1 1 124 124 GLU H H 1 7.921 . . 1 . . . . . . . . 4558 1 1013 . 1 1 124 124 GLU CA C 13 57.052 . . 1 . . . . . . . . 4558 1 1014 . 1 1 124 124 GLU HA H 1 4.301 . . 1 . . . . . . . . 4558 1 1015 . 1 1 124 124 GLU CB C 13 28.920 . . 1 . . . . . . . . 4558 1 1016 . 1 1 124 124 GLU HB2 H 1 2.160 . . 2 . . . . . . . . 4558 1 1017 . 1 1 124 124 GLU CG C 13 35.420 . . 1 . . . . . . . . 4558 1 1018 . 1 1 124 124 GLU HG2 H 1 2.350 . . 2 . . . . . . . . 4558 1 1019 . 1 1 124 124 GLU C C 13 177.271 . . 1 . . . . . . . . 4558 1 1020 . 1 1 125 125 SER N N 15 117.109 . . 1 . . . . . . . . 4558 1 1021 . 1 1 125 125 SER H H 1 8.067 . . 1 . . . . . . . . 4558 1 1022 . 1 1 125 125 SER CA C 13 58.869 . . 1 . . . . . . . . 4558 1 1023 . 1 1 125 125 SER HA H 1 4.439 . . 1 . . . . . . . . 4558 1 1024 . 1 1 125 125 SER CB C 13 62.590 . . 1 . . . . . . . . 4558 1 1025 . 1 1 125 125 SER HB3 H 1 4.000 . . 1 . . . . . . . . 4558 1 1026 . 1 1 125 125 SER HB2 H 1 4.000 . . 1 . . . . . . . . 4558 1 1027 . 1 1 125 125 SER C C 13 175.547 . . 1 . . . . . . . . 4558 1 1028 . 1 1 126 126 GLY N N 15 112.398 . . 1 . . . . . . . . 4558 1 1029 . 1 1 126 126 GLY H H 1 8.066 . . 1 . . . . . . . . 4558 1 1030 . 1 1 126 126 GLY CA C 13 44.799 . . 1 . . . . . . . . 4558 1 1031 . 1 1 127 127 ALA N N 15 125.674 . . 1 . . . . . . . . 4558 1 1032 . 1 1 127 127 ALA H H 1 7.948 . . 1 . . . . . . . . 4558 1 1033 . 1 1 127 127 ALA CA C 13 51.939 . . 1 . . . . . . . . 4558 1 1034 . 1 1 127 127 ALA HA H 1 4.384 . . 1 . . . . . . . . 4558 1 1035 . 1 1 127 127 ALA CB C 13 17.696 . . 1 . . . . . . . . 4558 1 1036 . 1 1 127 127 ALA HB1 H 1 1.470 . . 1 . . . . . . . . 4558 1 1037 . 1 1 127 127 ALA HB2 H 1 1.470 . . 1 . . . . . . . . 4558 1 1038 . 1 1 127 127 ALA HB3 H 1 1.470 . . 1 . . . . . . . . 4558 1 1039 . 1 1 127 127 ALA C C 13 177.825 . . 1 . . . . . . . . 4558 1 1040 . 1 1 128 128 ARG N N 15 121.820 . . 1 . . . . . . . . 4558 1 1041 . 1 1 128 128 ARG H H 1 8.143 . . 1 . . . . . . . . 4558 1 1042 . 1 1 128 128 ARG CA C 13 55.563 . . 1 . . . . . . . . 4558 1 1043 . 1 1 128 128 ARG HA H 1 4.386 . . 1 . . . . . . . . 4558 1 1044 . 1 1 128 128 ARG CB C 13 29.583 . . 1 . . . . . . . . 4558 1 1045 . 1 1 128 128 ARG HB2 H 1 1.910 . . 2 . . . . . . . . 4558 1 1046 . 1 1 128 128 ARG CG C 13 26.490 . . 1 . . . . . . . . 4558 1 1047 . 1 1 128 128 ARG HG2 H 1 1.720 . . 2 . . . . . . . . 4558 1 1048 . 1 1 128 128 ARG CD C 13 42.230 . . 1 . . . . . . . . 4558 1 1049 . 1 1 128 128 ARG HD2 H 1 3.240 . . 2 . . . . . . . . 4558 1 1050 . 1 1 128 128 ARG C C 13 176.801 . . 1 . . . . . . . . 4558 1 1051 . 1 1 129 129 GLY N N 15 112.398 . . 1 . . . . . . . . 4558 1 1052 . 1 1 129 129 GLY H H 1 8.066 . . 1 . . . . . . . . 4558 1 1053 . 1 1 129 129 GLY CA C 13 44.799 . . 1 . . . . . . . . 4558 1 1054 . 1 1 129 129 GLY C C 13 174.156 . . 1 . . . . . . . . 4558 1 1055 . 1 1 130 130 SER H H 1 8.129 . . 1 . . . . . . . . 4558 1 1056 . 1 1 130 130 SER CA C 13 57.602 . . 1 . . . . . . . . 4558 1 1057 . 1 1 130 130 SER HA H 1 4.461 . . 1 . . . . . . . . 4558 1 1058 . 1 1 130 130 SER CB C 13 62.837 . . 1 . . . . . . . . 4558 1 1059 . 1 1 130 130 SER HB3 H 1 3.910 . . 1 . . . . . . . . 4558 1 1060 . 1 1 130 130 SER HB2 H 1 3.910 . . 1 . . . . . . . . 4558 1 1061 . 1 1 131 131 HIS N N 15 116.456 . . 1 . . . . . . . . 4558 1 1062 . 1 1 131 131 HIS H H 1 7.978 . . 1 . . . . . . . . 4558 1 1063 . 1 1 131 131 HIS CA C 13 55.278 . . 1 . . . . . . . . 4558 1 1064 . 1 1 131 131 HIS HA H 1 4.808 . . 1 . . . . . . . . 4558 1 1065 . 1 1 131 131 HIS CB C 13 29.465 . . 1 . . . . . . . . 4558 1 1066 . 1 1 131 131 HIS C C 13 174.467 . . 1 . . . . . . . . 4558 1 1067 . 1 1 132 132 HIS N N 15 119.578 . . 1 . . . . . . . . 4558 1 1068 . 1 1 132 132 HIS H H 1 8.019 . . 1 . . . . . . . . 4558 1 1069 . 1 1 132 132 HIS CA C 13 53.284 . . 1 . . . . . . . . 4558 1 1070 . 1 1 132 132 HIS HA H 1 4.531 . . 1 . . . . . . . . 4558 1 1071 . 1 1 132 132 HIS CB C 13 36.964 . . 1 . . . . . . . . 4558 1 1072 . 1 1 132 132 HIS C C 13 173.908 . . 1 . . . . . . . . 4558 1 1073 . 1 1 133 133 HIS N N 15 119.679 . . 1 . . . . . . . . 4558 1 1074 . 1 1 133 133 HIS H H 1 7.796 . . 1 . . . . . . . . 4558 1 1075 . 1 1 133 133 HIS CA C 13 54.279 . . 1 . . . . . . . . 4558 1 1076 . 1 1 133 133 HIS HA H 1 4.534 . . 1 . . . . . . . . 4558 1 1077 . 1 1 133 133 HIS C C 13 174.969 . . 1 . . . . . . . . 4558 1 1078 . 1 1 134 134 HIS N N 15 124.818 . . 1 . . . . . . . . 4558 1 1079 . 1 1 134 134 HIS H H 1 8.801 . . 1 . . . . . . . . 4558 1 1080 . 1 1 134 134 HIS CA C 13 51.673 . . 1 . . . . . . . . 4558 1 1081 . 1 1 134 134 HIS HA H 1 4.526 . . 1 . . . . . . . . 4558 1 stop_ save_