data_7226 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7226 _Entry.Title ; Solution NMR Structure of Conserved protein MTH1368, Northeast Structural Genomics Consortium Target TT821A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-14 _Entry.Accession_date 2006-07-26 _Entry.Last_release_date 2010-03-04 _Entry.Original_release_date 2010-03-04 _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 G. Liu . . . 7226 2 Y. Lin . . . 7226 3 D. Parish . . . 7226 4 Y. Shen . . . 7226 5 D. Sukumaran . . . 7226 6 A. Yee . . . 7226 7 A. Semesi . . . 7226 8 C. Arrowsmith . . . 7226 9 T. Szyperski . . . 7226 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7226 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 341 7226 '15N chemical shifts' 106 7226 '1H chemical shifts' 737 7226 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 . . 2010-03-04 2006-07-14 original author . 7226 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7226 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of Conserved protein MTH1368, Northeast Structural Genomics Consortium Target TT821A ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 G. Liu . . . 7226 1 2 Y. Lin . . . 7226 1 3 D. Parish . . . 7226 1 4 Y. Shen . . . 7226 1 5 D. Sukumaran . . . 7226 1 6 A. Yee . . . 7226 1 7 A. Semesi . . . 7226 1 8 C. Arrowsmith . . . 7226 1 9 T. Szyperski . . . 7226 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Conserved protein MTH1368' 7226 1 'GFT NMR' 7226 1 Hydrolase 7226 1 Metal-binding 7226 1 Metalloprotease 7226 1 NESG 7226 1 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM' 7226 1 Protease 7226 1 'PROTEIN STRUCTURE INITIATIVE' 7226 1 PSI 7226 1 'STRUCTURAL GENOMICS' 7226 1 Transmembrane 7226 1 'Zinc b' 7226 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTH1368 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTH1368 _Assembly.Entry_ID 7226 _Assembly.ID 1 _Assembly.Name 'Conserved protein MTH1368' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7226 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 'Conserved protein MTH1368' 1 $MTH1368 . . . native . . . . . 7226 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2HGA . . . . . . 7226 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Conserved protein MTH1368' abbreviation 7226 1 'Conserved protein MTH1368' system 7226 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH1368 _Entity.Sf_category entity _Entity.Sf_framecode MTH1368 _Entity.Entry_ID 7226 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Conserved protein MTH1368' _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 ; MGSSHHHHHHSSGRENLYFQ GHQPDGVQIDSVVPGSPASK VLTPGLVIESINGMPTSNLT TYSAALKTISVGEVINITTD QGTFHLKTGRNPNNSSRAYM GIRTSNHLRVRDSVASVLGD TLPFA ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2HGA . "Solution Nmr Structure Of Conserved Protein Mth1368, Northeast Structural Genomics Consortium Target Tt821a" . . . . . 100.00 125 100.00 100.00 4.36e-84 . . . . 7226 1 2 no DBJ BAM70490 . "peptidase [Methanothermobacter thermautotrophicus CaT2]" . . . . . 82.40 385 98.06 98.06 3.98e-64 . . . . 7226 1 3 no GB AAB85845 . "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 82.40 389 100.00 100.00 2.14e-65 . . . . 7226 1 4 no REF NP_276484 . "hypothetical protein MTH1368 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 82.40 389 100.00 100.00 2.14e-65 . . . . 7226 1 5 no REF WP_010876980 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 82.40 389 100.00 100.00 2.14e-65 . . . . 7226 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Conserved protein MTH1368' abbreviation 7226 1 'Conserved protein MTH1368' common 7226 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 . 7226 1 2 . GLY . 7226 1 3 . SER . 7226 1 4 . SER . 7226 1 5 . HIS . 7226 1 6 . HIS . 7226 1 7 . HIS . 7226 1 8 . HIS . 7226 1 9 . HIS . 7226 1 10 . HIS . 7226 1 11 . SER . 7226 1 12 . SER . 7226 1 13 . GLY . 7226 1 14 . ARG . 7226 1 15 . GLU . 7226 1 16 . ASN . 7226 1 17 . LEU . 7226 1 18 . TYR . 7226 1 19 . PHE . 7226 1 20 . GLN . 7226 1 21 . GLY . 7226 1 22 . HIS . 7226 1 23 . GLN . 7226 1 24 . PRO . 7226 1 25 . ASP . 7226 1 26 . GLY . 7226 1 27 . VAL . 7226 1 28 . GLN . 7226 1 29 . ILE . 7226 1 30 . ASP . 7226 1 31 . SER . 7226 1 32 . VAL . 7226 1 33 . VAL . 7226 1 34 . PRO . 7226 1 35 . GLY . 7226 1 36 . SER . 7226 1 37 . PRO . 7226 1 38 . ALA . 7226 1 39 . SER . 7226 1 40 . LYS . 7226 1 41 . VAL . 7226 1 42 . LEU . 7226 1 43 . THR . 7226 1 44 . PRO . 7226 1 45 . GLY . 7226 1 46 . LEU . 7226 1 47 . VAL . 7226 1 48 . ILE . 7226 1 49 . GLU . 7226 1 50 . SER . 7226 1 51 . ILE . 7226 1 52 . ASN . 7226 1 53 . GLY . 7226 1 54 . MET . 7226 1 55 . PRO . 7226 1 56 . THR . 7226 1 57 . SER . 7226 1 58 . ASN . 7226 1 59 . LEU . 7226 1 60 . THR . 7226 1 61 . THR . 7226 1 62 . TYR . 7226 1 63 . SER . 7226 1 64 . ALA . 7226 1 65 . ALA . 7226 1 66 . LEU . 7226 1 67 . LYS . 7226 1 68 . THR . 7226 1 69 . ILE . 7226 1 70 . SER . 7226 1 71 . VAL . 7226 1 72 . GLY . 7226 1 73 . GLU . 7226 1 74 . VAL . 7226 1 75 . ILE . 7226 1 76 . ASN . 7226 1 77 . ILE . 7226 1 78 . THR . 7226 1 79 . THR . 7226 1 80 . ASP . 7226 1 81 . GLN . 7226 1 82 . GLY . 7226 1 83 . THR . 7226 1 84 . PHE . 7226 1 85 . HIS . 7226 1 86 . LEU . 7226 1 87 . LYS . 7226 1 88 . THR . 7226 1 89 . GLY . 7226 1 90 . ARG . 7226 1 91 . ASN . 7226 1 92 . PRO . 7226 1 93 . ASN . 7226 1 94 . ASN . 7226 1 95 . SER . 7226 1 96 . SER . 7226 1 97 . ARG . 7226 1 98 . ALA . 7226 1 99 . TYR . 7226 1 100 . MET . 7226 1 101 . GLY . 7226 1 102 . ILE . 7226 1 103 . ARG . 7226 1 104 . THR . 7226 1 105 . SER . 7226 1 106 . ASN . 7226 1 107 . HIS . 7226 1 108 . LEU . 7226 1 109 . ARG . 7226 1 110 . VAL . 7226 1 111 . ARG . 7226 1 112 . ASP . 7226 1 113 . SER . 7226 1 114 . VAL . 7226 1 115 . ALA . 7226 1 116 . SER . 7226 1 117 . VAL . 7226 1 118 . LEU . 7226 1 119 . GLY . 7226 1 120 . ASP . 7226 1 121 . THR . 7226 1 122 . LEU . 7226 1 123 . PRO . 7226 1 124 . PHE . 7226 1 125 . ALA . 7226 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 7226 1 . GLY 2 2 7226 1 . SER 3 3 7226 1 . SER 4 4 7226 1 . HIS 5 5 7226 1 . HIS 6 6 7226 1 . HIS 7 7 7226 1 . HIS 8 8 7226 1 . HIS 9 9 7226 1 . HIS 10 10 7226 1 . SER 11 11 7226 1 . SER 12 12 7226 1 . GLY 13 13 7226 1 . ARG 14 14 7226 1 . GLU 15 15 7226 1 . ASN 16 16 7226 1 . LEU 17 17 7226 1 . TYR 18 18 7226 1 . PHE 19 19 7226 1 . GLN 20 20 7226 1 . GLY 21 21 7226 1 . HIS 22 22 7226 1 . GLN 23 23 7226 1 . PRO 24 24 7226 1 . ASP 25 25 7226 1 . GLY 26 26 7226 1 . VAL 27 27 7226 1 . GLN 28 28 7226 1 . ILE 29 29 7226 1 . ASP 30 30 7226 1 . SER 31 31 7226 1 . VAL 32 32 7226 1 . VAL 33 33 7226 1 . PRO 34 34 7226 1 . GLY 35 35 7226 1 . SER 36 36 7226 1 . PRO 37 37 7226 1 . ALA 38 38 7226 1 . SER 39 39 7226 1 . LYS 40 40 7226 1 . VAL 41 41 7226 1 . LEU 42 42 7226 1 . THR 43 43 7226 1 . PRO 44 44 7226 1 . GLY 45 45 7226 1 . LEU 46 46 7226 1 . VAL 47 47 7226 1 . ILE 48 48 7226 1 . GLU 49 49 7226 1 . SER 50 50 7226 1 . ILE 51 51 7226 1 . ASN 52 52 7226 1 . GLY 53 53 7226 1 . MET 54 54 7226 1 . PRO 55 55 7226 1 . THR 56 56 7226 1 . SER 57 57 7226 1 . ASN 58 58 7226 1 . LEU 59 59 7226 1 . THR 60 60 7226 1 . THR 61 61 7226 1 . TYR 62 62 7226 1 . SER 63 63 7226 1 . ALA 64 64 7226 1 . ALA 65 65 7226 1 . LEU 66 66 7226 1 . LYS 67 67 7226 1 . THR 68 68 7226 1 . ILE 69 69 7226 1 . SER 70 70 7226 1 . VAL 71 71 7226 1 . GLY 72 72 7226 1 . GLU 73 73 7226 1 . VAL 74 74 7226 1 . ILE 75 75 7226 1 . ASN 76 76 7226 1 . ILE 77 77 7226 1 . THR 78 78 7226 1 . THR 79 79 7226 1 . ASP 80 80 7226 1 . GLN 81 81 7226 1 . GLY 82 82 7226 1 . THR 83 83 7226 1 . PHE 84 84 7226 1 . HIS 85 85 7226 1 . LEU 86 86 7226 1 . LYS 87 87 7226 1 . THR 88 88 7226 1 . GLY 89 89 7226 1 . ARG 90 90 7226 1 . ASN 91 91 7226 1 . PRO 92 92 7226 1 . ASN 93 93 7226 1 . ASN 94 94 7226 1 . SER 95 95 7226 1 . SER 96 96 7226 1 . ARG 97 97 7226 1 . ALA 98 98 7226 1 . TYR 99 99 7226 1 . MET 100 100 7226 1 . GLY 101 101 7226 1 . ILE 102 102 7226 1 . ARG 103 103 7226 1 . THR 104 104 7226 1 . SER 105 105 7226 1 . ASN 106 106 7226 1 . HIS 107 107 7226 1 . LEU 108 108 7226 1 . ARG 109 109 7226 1 . VAL 110 110 7226 1 . ARG 111 111 7226 1 . ASP 112 112 7226 1 . SER 113 113 7226 1 . VAL 114 114 7226 1 . ALA 115 115 7226 1 . SER 116 116 7226 1 . VAL 117 117 7226 1 . LEU 118 118 7226 1 . GLY 119 119 7226 1 . ASP 120 120 7226 1 . THR 121 121 7226 1 . LEU 122 122 7226 1 . PRO 123 123 7226 1 . PHE 124 124 7226 1 . ALA 125 125 7226 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 7226 _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 $MTH1368 . 145262 organism . 'Methanobacterium thermoautotrophicum' 'Methanobacterium thermoautotrophicum' . . Archaea . Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 7226 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 7226 _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 $MTH1368 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7226 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7226 _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 'Conserved protein MTH1368' '[U-15N; U-13C]' . . 1 $MTH1368 . . 0.5 . . mM . . . . 7226 1 2 'TRIS BUFFER' . . . . . . . . . . mM . . . . 7226 1 3 NaCl2 . . . . . . . 200 . . mM . . . . 7226 1 4 ZnSO4 . . . . . . . 10 . . uM . . . . 7226 1 5 NaN3 . . . . . . . 0.01 . . % . . . . 7226 1 6 bezamidine . . . . . . . 1 . . mM . . . . 7226 1 7 inhibitor . . . . . . . 1 . . x . . . . 7226 1 8 H2O . . . . . . . 93 . . % . . . . 7226 1 9 D2O . . . . . . . 7 . . % . . . . 7226 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7226 _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 7.0 . pH 7226 1 pressure 1 . atm 7226 1 temperature 288 . K 7226 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7226 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7226 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7226 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7226 2 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 7226 _Software.ID 3 _Software.Name AutoAssign _Software.Version 1.15.1 _Software.Details 'MOSELEY, H.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7226 3 stop_ save_ save_AUTOSTRUCTURE _Software.Sf_category software _Software.Sf_framecode AUTOSTRUCTURE _Software.Entry_ID 7226 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.0 _Software.Details 'HUANG, Y.J.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7226 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7226 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details GUNTERT loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7226 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7226 _Software.ID 6 _Software.Name CNS _Software.Version 1.1 _Software.Details ; BRUNGER, ADAMS, CLORE, DELANO, GROS, GROSSE-KUNSTLEVE, JIANG, KUSZEWSKI, NILGES, PANNU, READ, RICE, SIMONSON, WARREN. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7226 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7226 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7226 _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 Varian INOVA . 600 . . . 7226 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 7226 _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 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7226 1 2 '3D HNCACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7226 1 3 '3D CBCACONH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7226 1 4 'GFT (4,3)D HABCAB(CO)NHN' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7226 1 5 'GFT (4,3)D HCCH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7226 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 7226 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 7226 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 7226 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 7226 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'GFT (4,3)D HABCAB(CO)NHN' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 7226 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'GFT (4,3)D HCCH' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7226 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7226 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7226 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7226 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7226 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7226 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 1 1 MET HE1 H 1 1.81 0.01 . 1 . . . . . . . . 7226 1 2 . 1 1 1 1 MET HE2 H 1 1.81 0.01 . 1 . . . . . . . . 7226 1 3 . 1 1 1 1 MET HE3 H 1 1.81 0.01 . 1 . . . . . . . . 7226 1 4 . 1 1 1 1 MET CE C 13 16.7 0.5 . 1 . . . . . . . . 7226 1 5 . 1 1 2 2 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 7226 1 6 . 1 1 2 2 GLY HA2 H 1 3.67 0.01 . 2 . . . . . . . . 7226 1 7 . 1 1 2 2 GLY HA3 H 1 4.11 0.01 . 2 . . . . . . . . 7226 1 8 . 1 1 3 3 SER N N 15 115.3 0.5 . 1 . . . . . . . . 7226 1 9 . 1 1 3 3 SER H H 1 7.70 0.01 . 1 . . . . . . . . 7226 1 10 . 1 1 15 15 GLU N N 15 121.0 0.5 . 1 . . . . . . . . 7226 1 11 . 1 1 15 15 GLU H H 1 8.56 0.01 . 1 . . . . . . . . 7226 1 12 . 1 1 15 15 GLU CA C 13 56.9 0.5 . 1 . . . . . . . . 7226 1 13 . 1 1 15 15 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 7226 1 14 . 1 1 15 15 GLU CB C 13 29.7 0.5 . 1 . . . . . . . . 7226 1 15 . 1 1 15 15 GLU HB2 H 1 1.82 0.01 . 2 . . . . . . . . 7226 1 16 . 1 1 15 15 GLU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 7226 1 17 . 1 1 15 15 GLU CG C 13 36.0 0.5 . 1 . . . . . . . . 7226 1 18 . 1 1 15 15 GLU HG2 H 1 2.14 0.01 . 1 . . . . . . . . 7226 1 19 . 1 1 15 15 GLU HG3 H 1 2.14 0.01 . 1 . . . . . . . . 7226 1 20 . 1 1 16 16 ASN N N 15 118.6 0.5 . 1 . . . . . . . . 7226 1 21 . 1 1 16 16 ASN H H 1 8.31 0.01 . 1 . . . . . . . . 7226 1 22 . 1 1 16 16 ASN CA C 13 53.0 0.5 . 1 . . . . . . . . 7226 1 23 . 1 1 16 16 ASN HA H 1 4.53 0.01 . 1 . . . . . . . . 7226 1 24 . 1 1 16 16 ASN CB C 13 38.3 0.5 . 1 . . . . . . . . 7226 1 25 . 1 1 16 16 ASN HB2 H 1 2.59 0.01 . 2 . . . . . . . . 7226 1 26 . 1 1 16 16 ASN HB3 H 1 2.67 0.01 . 2 . . . . . . . . 7226 1 27 . 1 1 16 16 ASN ND2 N 15 112.6 0.5 . 1 . . . . . . . . 7226 1 28 . 1 1 16 16 ASN HD21 H 1 7.56 0.01 . 2 . . . . . . . . 7226 1 29 . 1 1 16 16 ASN HD22 H 1 6.88 0.01 . 2 . . . . . . . . 7226 1 30 . 1 1 17 17 LEU N N 15 121.8 0.5 . 1 . . . . . . . . 7226 1 31 . 1 1 17 17 LEU H H 1 8.00 0.01 . 1 . . . . . . . . 7226 1 32 . 1 1 17 17 LEU CA C 13 55.3 0.5 . 1 . . . . . . . . 7226 1 33 . 1 1 17 17 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 7226 1 34 . 1 1 17 17 LEU CB C 13 41.9 0.5 . 1 . . . . . . . . 7226 1 35 . 1 1 17 17 LEU HB2 H 1 1.22 0.01 . 2 . . . . . . . . 7226 1 36 . 1 1 17 17 LEU HB3 H 1 1.35 0.01 . 2 . . . . . . . . 7226 1 37 . 1 1 17 17 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 7226 1 38 . 1 1 17 17 LEU HG H 1 1.34 0.01 . 1 . . . . . . . . 7226 1 39 . 1 1 17 17 LEU HD11 H 1 0.73 0.01 . 2 . . . . . . . . 7226 1 40 . 1 1 17 17 LEU HD12 H 1 0.73 0.01 . 2 . . . . . . . . 7226 1 41 . 1 1 17 17 LEU HD13 H 1 0.73 0.01 . 2 . . . . . . . . 7226 1 42 . 1 1 17 17 LEU HD21 H 1 0.66 0.01 . 2 . . . . . . . . 7226 1 43 . 1 1 17 17 LEU HD22 H 1 0.66 0.01 . 2 . . . . . . . . 7226 1 44 . 1 1 17 17 LEU HD23 H 1 0.66 0.01 . 2 . . . . . . . . 7226 1 45 . 1 1 17 17 LEU CD1 C 13 24.9 0.5 . 1 . . . . . . . . 7226 1 46 . 1 1 17 17 LEU CD2 C 13 23.0 0.5 . 1 . . . . . . . . 7226 1 47 . 1 1 18 18 TYR N N 15 119.2 0.5 . 1 . . . . . . . . 7226 1 48 . 1 1 18 18 TYR H H 1 7.96 0.01 . 1 . . . . . . . . 7226 1 49 . 1 1 18 18 TYR CA C 13 57.6 0.5 . 1 . . . . . . . . 7226 1 50 . 1 1 18 18 TYR HA H 1 4.38 0.01 . 1 . . . . . . . . 7226 1 51 . 1 1 18 18 TYR CB C 13 38.2 0.5 . 1 . . . . . . . . 7226 1 52 . 1 1 18 18 TYR HB2 H 1 2.74 0.01 . 2 . . . . . . . . 7226 1 53 . 1 1 18 18 TYR HB3 H 1 2.84 0.01 . 2 . . . . . . . . 7226 1 54 . 1 1 18 18 TYR HD1 H 1 6.88 0.01 . 1 . . . . . . . . 7226 1 55 . 1 1 18 18 TYR HD2 H 1 6.88 0.01 . 1 . . . . . . . . 7226 1 56 . 1 1 18 18 TYR HE1 H 1 6.65 0.01 . 1 . . . . . . . . 7226 1 57 . 1 1 18 18 TYR HE2 H 1 6.65 0.01 . 1 . . . . . . . . 7226 1 58 . 1 1 18 18 TYR CD1 C 13 131.9 0.5 . 1 . . . . . . . . 7226 1 59 . 1 1 18 18 TYR CE1 C 13 117.3 0.5 . 1 . . . . . . . . 7226 1 60 . 1 1 19 19 PHE N N 15 121.1 0.5 . 1 . . . . . . . . 7226 1 61 . 1 1 19 19 PHE H H 1 7.96 0.01 . 1 . . . . . . . . 7226 1 62 . 1 1 19 19 PHE CA C 13 57.5 0.5 . 1 . . . . . . . . 7226 1 63 . 1 1 19 19 PHE HA H 1 4.42 0.01 . 1 . . . . . . . . 7226 1 64 . 1 1 19 19 PHE CB C 13 39.1 0.5 . 1 . . . . . . . . 7226 1 65 . 1 1 19 19 PHE HB2 H 1 2.88 0.01 . 2 . . . . . . . . 7226 1 66 . 1 1 19 19 PHE HB3 H 1 2.94 0.01 . 2 . . . . . . . . 7226 1 67 . 1 1 19 19 PHE HD1 H 1 7.08 0.01 . 1 . . . . . . . . 7226 1 68 . 1 1 19 19 PHE HD2 H 1 7.08 0.01 . 1 . . . . . . . . 7226 1 69 . 1 1 19 19 PHE HE1 H 1 7.17 0.01 . 1 . . . . . . . . 7226 1 70 . 1 1 19 19 PHE HE2 H 1 7.17 0.01 . 1 . . . . . . . . 7226 1 71 . 1 1 19 19 PHE CD1 C 13 130.8 0.5 . 1 . . . . . . . . 7226 1 72 . 1 1 19 19 PHE CE1 C 13 130.7 0.5 . 1 . . . . . . . . 7226 1 73 . 1 1 19 19 PHE CZ C 13 130.8 0.5 . 1 . . . . . . . . 7226 1 74 . 1 1 19 19 PHE HZ H 1 7.26 0.01 . 1 . . . . . . . . 7226 1 75 . 1 1 20 20 GLN N N 15 122.0 0.5 . 1 . . . . . . . . 7226 1 76 . 1 1 20 20 GLN H H 1 8.21 0.01 . 1 . . . . . . . . 7226 1 77 . 1 1 20 20 GLN CA C 13 55.7 0.5 . 1 . . . . . . . . 7226 1 78 . 1 1 20 20 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 7226 1 79 . 1 1 20 20 GLN CB C 13 29.0 0.5 . 1 . . . . . . . . 7226 1 80 . 1 1 20 20 GLN HB2 H 1 1.78 0.01 . 2 . . . . . . . . 7226 1 81 . 1 1 20 20 GLN HB3 H 1 1.94 0.01 . 2 . . . . . . . . 7226 1 82 . 1 1 20 20 GLN CG C 13 33.5 0.5 . 1 . . . . . . . . 7226 1 83 . 1 1 20 20 GLN HG2 H 1 2.15 0.01 . 1 . . . . . . . . 7226 1 84 . 1 1 20 20 GLN HG3 H 1 2.15 0.01 . 1 . . . . . . . . 7226 1 85 . 1 1 20 20 GLN NE2 N 15 112.3 0.5 . 1 . . . . . . . . 7226 1 86 . 1 1 20 20 GLN HE21 H 1 7.41 0.01 . 2 . . . . . . . . 7226 1 87 . 1 1 20 20 GLN HE22 H 1 6.79 0.01 . 2 . . . . . . . . 7226 1 88 . 1 1 21 21 GLY N N 15 108.7 0.5 . 1 . . . . . . . . 7226 1 89 . 1 1 21 21 GLY H H 1 7.73 0.01 . 1 . . . . . . . . 7226 1 90 . 1 1 21 21 GLY CA C 13 45.1 0.5 . 1 . . . . . . . . 7226 1 91 . 1 1 21 21 GLY HA2 H 1 3.83 0.01 . 2 . . . . . . . . 7226 1 92 . 1 1 21 21 GLY HA3 H 1 3.92 0.01 . 2 . . . . . . . . 7226 1 93 . 1 1 23 23 GLN CG C 13 33.1 0.5 . 1 . . . . . . . . 7226 1 94 . 1 1 23 23 GLN HG2 H 1 2.20 0.01 . 1 . . . . . . . . 7226 1 95 . 1 1 23 23 GLN HG3 H 1 2.20 0.01 . 1 . . . . . . . . 7226 1 96 . 1 1 23 23 GLN NE2 N 15 112.2 0.5 . 1 . . . . . . . . 7226 1 97 . 1 1 23 23 GLN HE21 H 1 7.47 0.01 . 2 . . . . . . . . 7226 1 98 . 1 1 23 23 GLN HE22 H 1 6.85 0.01 . 2 . . . . . . . . 7226 1 99 . 1 1 24 24 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 7226 1 100 . 1 1 24 24 PRO CA C 13 63.0 0.5 . 1 . . . . . . . . 7226 1 101 . 1 1 24 24 PRO HA H 1 4.73 0.01 . 1 . . . . . . . . 7226 1 102 . 1 1 24 24 PRO CB C 13 32.8 0.5 . 1 . . . . . . . . 7226 1 103 . 1 1 24 24 PRO HB2 H 1 2.20 0.01 . 2 . . . . . . . . 7226 1 104 . 1 1 24 24 PRO HB3 H 1 2.21 0.01 . 2 . . . . . . . . 7226 1 105 . 1 1 24 24 PRO CG C 13 30.1 0.5 . 1 . . . . . . . . 7226 1 106 . 1 1 24 24 PRO HG2 H 1 1.81 0.01 . 2 . . . . . . . . 7226 1 107 . 1 1 24 24 PRO HG3 H 1 1.96 0.01 . 2 . . . . . . . . 7226 1 108 . 1 1 24 24 PRO HD2 H 1 3.60 0.01 . 2 . . . . . . . . 7226 1 109 . 1 1 24 24 PRO HD3 H 1 3.71 0.01 . 2 . . . . . . . . 7226 1 110 . 1 1 25 25 ASP N N 15 123.5 0.5 . 1 . . . . . . . . 7226 1 111 . 1 1 25 25 ASP H H 1 8.77 0.01 . 1 . . . . . . . . 7226 1 112 . 1 1 25 25 ASP CA C 13 52.8 0.5 . 1 . . . . . . . . 7226 1 113 . 1 1 25 25 ASP HA H 1 4.77 0.01 . 1 . . . . . . . . 7226 1 114 . 1 1 25 25 ASP CB C 13 41.2 0.5 . 1 . . . . . . . . 7226 1 115 . 1 1 25 25 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 7226 1 116 . 1 1 25 25 ASP HB3 H 1 2.45 0.01 . 2 . . . . . . . . 7226 1 117 . 1 1 26 26 GLY N N 15 109.1 0.5 . 1 . . . . . . . . 7226 1 118 . 1 1 26 26 GLY H H 1 7.94 0.01 . 1 . . . . . . . . 7226 1 119 . 1 1 26 26 GLY CA C 13 44.0 0.5 . 1 . . . . . . . . 7226 1 120 . 1 1 26 26 GLY HA2 H 1 4.03 0.01 . 2 . . . . . . . . 7226 1 121 . 1 1 26 26 GLY HA3 H 1 4.42 0.01 . 2 . . . . . . . . 7226 1 122 . 1 1 27 27 VAL N N 15 112.0 0.5 . 1 . . . . . . . . 7226 1 123 . 1 1 27 27 VAL H H 1 7.93 0.01 . 1 . . . . . . . . 7226 1 124 . 1 1 27 27 VAL CA C 13 58.5 0.5 . 1 . . . . . . . . 7226 1 125 . 1 1 27 27 VAL HA H 1 4.77 0.01 . 1 . . . . . . . . 7226 1 126 . 1 1 27 27 VAL CB C 13 33.4 0.5 . 1 . . . . . . . . 7226 1 127 . 1 1 27 27 VAL HB H 1 1.44 0.01 . 1 . . . . . . . . 7226 1 128 . 1 1 27 27 VAL HG11 H 1 0.28 0.01 . 2 . . . . . . . . 7226 1 129 . 1 1 27 27 VAL HG12 H 1 0.28 0.01 . 2 . . . . . . . . 7226 1 130 . 1 1 27 27 VAL HG13 H 1 0.28 0.01 . 2 . . . . . . . . 7226 1 131 . 1 1 27 27 VAL HG21 H 1 0.34 0.01 . 2 . . . . . . . . 7226 1 132 . 1 1 27 27 VAL HG22 H 1 0.34 0.01 . 2 . . . . . . . . 7226 1 133 . 1 1 27 27 VAL HG23 H 1 0.34 0.01 . 2 . . . . . . . . 7226 1 134 . 1 1 27 27 VAL CG1 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 135 . 1 1 27 27 VAL CG2 C 13 19.4 0.5 . 1 . . . . . . . . 7226 1 136 . 1 1 28 28 GLN N N 15 124.6 0.5 . 1 . . . . . . . . 7226 1 137 . 1 1 28 28 GLN H H 1 9.06 0.01 . 1 . . . . . . . . 7226 1 138 . 1 1 28 28 GLN CA C 13 53.4 0.5 . 1 . . . . . . . . 7226 1 139 . 1 1 28 28 GLN HA H 1 4.79 0.01 . 1 . . . . . . . . 7226 1 140 . 1 1 28 28 GLN CB C 13 31.1 0.5 . 1 . . . . . . . . 7226 1 141 . 1 1 28 28 GLN HB2 H 1 1.55 0.01 . 2 . . . . . . . . 7226 1 142 . 1 1 28 28 GLN HB3 H 1 1.85 0.01 . 2 . . . . . . . . 7226 1 143 . 1 1 28 28 GLN CG C 13 33.6 0.5 . 1 . . . . . . . . 7226 1 144 . 1 1 28 28 GLN HG2 H 1 1.98 0.01 . 2 . . . . . . . . 7226 1 145 . 1 1 28 28 GLN HG3 H 1 1.78 0.01 . 2 . . . . . . . . 7226 1 146 . 1 1 28 28 GLN NE2 N 15 112.8 0.5 . 1 . . . . . . . . 7226 1 147 . 1 1 28 28 GLN HE21 H 1 7.83 0.01 . 2 . . . . . . . . 7226 1 148 . 1 1 28 28 GLN HE22 H 1 6.69 0.01 . 2 . . . . . . . . 7226 1 149 . 1 1 29 29 ILE N N 15 120.6 0.5 . 1 . . . . . . . . 7226 1 150 . 1 1 29 29 ILE H H 1 8.48 0.01 . 1 . . . . . . . . 7226 1 151 . 1 1 29 29 ILE CA C 13 61.8 0.5 . 1 . . . . . . . . 7226 1 152 . 1 1 29 29 ILE HA H 1 3.82 0.01 . 1 . . . . . . . . 7226 1 153 . 1 1 29 29 ILE CB C 13 37.3 0.5 . 1 . . . . . . . . 7226 1 154 . 1 1 29 29 ILE HB H 1 1.79 0.01 . 1 . . . . . . . . 7226 1 155 . 1 1 29 29 ILE HG21 H 1 0.43 0.01 . 1 . . . . . . . . 7226 1 156 . 1 1 29 29 ILE HG22 H 1 0.43 0.01 . 1 . . . . . . . . 7226 1 157 . 1 1 29 29 ILE HG23 H 1 0.43 0.01 . 1 . . . . . . . . 7226 1 158 . 1 1 29 29 ILE CG2 C 13 17.6 0.5 . 1 . . . . . . . . 7226 1 159 . 1 1 29 29 ILE CG1 C 13 26.6 0.5 . 1 . . . . . . . . 7226 1 160 . 1 1 29 29 ILE HG12 H 1 1.67 0.01 . 2 . . . . . . . . 7226 1 161 . 1 1 29 29 ILE HG13 H 1 1.61 0.01 . 2 . . . . . . . . 7226 1 162 . 1 1 29 29 ILE HD11 H 1 0.64 0.01 . 1 . . . . . . . . 7226 1 163 . 1 1 29 29 ILE HD12 H 1 0.64 0.01 . 1 . . . . . . . . 7226 1 164 . 1 1 29 29 ILE HD13 H 1 0.64 0.01 . 1 . . . . . . . . 7226 1 165 . 1 1 29 29 ILE CD1 C 13 15.4 0.5 . 1 . . . . . . . . 7226 1 166 . 1 1 30 30 ASP N N 15 131.8 0.5 . 1 . . . . . . . . 7226 1 167 . 1 1 30 30 ASP H H 1 9.24 0.01 . 1 . . . . . . . . 7226 1 168 . 1 1 30 30 ASP CA C 13 56.0 0.5 . 1 . . . . . . . . 7226 1 169 . 1 1 30 30 ASP HA H 1 4.54 0.01 . 1 . . . . . . . . 7226 1 170 . 1 1 30 30 ASP CB C 13 41.6 0.5 . 1 . . . . . . . . 7226 1 171 . 1 1 30 30 ASP HB2 H 1 2.52 0.01 . 2 . . . . . . . . 7226 1 172 . 1 1 30 30 ASP HB3 H 1 2.12 0.01 . 2 . . . . . . . . 7226 1 173 . 1 1 31 31 SER N N 15 108.7 0.5 . 1 . . . . . . . . 7226 1 174 . 1 1 31 31 SER H H 1 7.48 0.01 . 1 . . . . . . . . 7226 1 175 . 1 1 31 31 SER CA C 13 57.2 0.5 . 1 . . . . . . . . 7226 1 176 . 1 1 31 31 SER HA H 1 4.30 0.01 . 1 . . . . . . . . 7226 1 177 . 1 1 31 31 SER CB C 13 63.8 0.5 . 1 . . . . . . . . 7226 1 178 . 1 1 31 31 SER HB2 H 1 3.61 0.01 . 2 . . . . . . . . 7226 1 179 . 1 1 31 31 SER HB3 H 1 3.79 0.01 . 2 . . . . . . . . 7226 1 180 . 1 1 32 32 VAL N N 15 119.6 0.5 . 1 . . . . . . . . 7226 1 181 . 1 1 32 32 VAL H H 1 8.55 0.01 . 1 . . . . . . . . 7226 1 182 . 1 1 32 32 VAL CA C 13 59.9 0.5 . 1 . . . . . . . . 7226 1 183 . 1 1 32 32 VAL HA H 1 4.43 0.01 . 1 . . . . . . . . 7226 1 184 . 1 1 32 32 VAL CB C 13 34.1 0.5 . 1 . . . . . . . . 7226 1 185 . 1 1 32 32 VAL HB H 1 1.63 0.01 . 1 . . . . . . . . 7226 1 186 . 1 1 32 32 VAL HG11 H 1 0.49 0.01 . 2 . . . . . . . . 7226 1 187 . 1 1 32 32 VAL HG12 H 1 0.49 0.01 . 2 . . . . . . . . 7226 1 188 . 1 1 32 32 VAL HG13 H 1 0.49 0.01 . 2 . . . . . . . . 7226 1 189 . 1 1 32 32 VAL HG21 H 1 0.40 0.01 . 2 . . . . . . . . 7226 1 190 . 1 1 32 32 VAL HG22 H 1 0.40 0.01 . 2 . . . . . . . . 7226 1 191 . 1 1 32 32 VAL HG23 H 1 0.40 0.01 . 2 . . . . . . . . 7226 1 192 . 1 1 32 32 VAL CG1 C 13 20.7 0.5 . 1 . . . . . . . . 7226 1 193 . 1 1 32 32 VAL CG2 C 13 20.4 0.5 . 1 . . . . . . . . 7226 1 194 . 1 1 33 33 VAL N N 15 130.3 0.5 . 1 . . . . . . . . 7226 1 195 . 1 1 33 33 VAL H H 1 8.92 0.01 . 1 . . . . . . . . 7226 1 196 . 1 1 33 33 VAL CA C 13 60.6 0.5 . 1 . . . . . . . . 7226 1 197 . 1 1 33 33 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 7226 1 198 . 1 1 33 33 VAL CB C 13 32.6 0.5 . 1 . . . . . . . . 7226 1 199 . 1 1 33 33 VAL HB H 1 1.77 0.01 . 1 . . . . . . . . 7226 1 200 . 1 1 33 33 VAL HG11 H 1 0.98 0.01 . 2 . . . . . . . . 7226 1 201 . 1 1 33 33 VAL HG12 H 1 0.98 0.01 . 2 . . . . . . . . 7226 1 202 . 1 1 33 33 VAL HG13 H 1 0.98 0.01 . 2 . . . . . . . . 7226 1 203 . 1 1 33 33 VAL HG21 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 204 . 1 1 33 33 VAL HG22 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 205 . 1 1 33 33 VAL HG23 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 206 . 1 1 33 33 VAL CG1 C 13 20.0 0.5 . 1 . . . . . . . . 7226 1 207 . 1 1 33 33 VAL CG2 C 13 20.9 0.5 . 1 . . . . . . . . 7226 1 208 . 1 1 34 34 PRO CD C 13 51.4 0.5 . 1 . . . . . . . . 7226 1 209 . 1 1 34 34 PRO CA C 13 63.4 0.5 . 1 . . . . . . . . 7226 1 210 . 1 1 34 34 PRO HA H 1 4.34 0.01 . 1 . . . . . . . . 7226 1 211 . 1 1 34 34 PRO CB C 13 31.4 0.5 . 1 . . . . . . . . 7226 1 212 . 1 1 34 34 PRO HB2 H 1 1.85 0.01 . 2 . . . . . . . . 7226 1 213 . 1 1 34 34 PRO HB3 H 1 2.26 0.01 . 2 . . . . . . . . 7226 1 214 . 1 1 34 34 PRO CG C 13 27.3 0.5 . 1 . . . . . . . . 7226 1 215 . 1 1 34 34 PRO HG2 H 1 1.95 0.01 . 2 . . . . . . . . 7226 1 216 . 1 1 34 34 PRO HG3 H 1 2.09 0.01 . 2 . . . . . . . . 7226 1 217 . 1 1 34 34 PRO HD2 H 1 3.63 0.01 . 2 . . . . . . . . 7226 1 218 . 1 1 34 34 PRO HD3 H 1 4.13 0.01 . 2 . . . . . . . . 7226 1 219 . 1 1 35 35 GLY CA C 13 44.9 0.5 . 1 . . . . . . . . 7226 1 220 . 1 1 35 35 GLY HA2 H 1 3.80 0.01 . 2 . . . . . . . . 7226 1 221 . 1 1 36 36 SER N N 15 120.9 0.5 . 1 . . . . . . . . 7226 1 222 . 1 1 36 36 SER H H 1 7.86 0.01 . 1 . . . . . . . . 7226 1 223 . 1 1 36 36 SER CA C 13 59.6 0.5 . 1 . . . . . . . . 7226 1 224 . 1 1 36 36 SER HA H 1 4.21 0.01 . 1 . . . . . . . . 7226 1 225 . 1 1 36 36 SER CB C 13 64.7 0.5 . 1 . . . . . . . . 7226 1 226 . 1 1 36 36 SER HB2 H 1 3.74 0.01 . 2 . . . . . . . . 7226 1 227 . 1 1 36 36 SER HB3 H 1 3.77 0.01 . 2 . . . . . . . . 7226 1 228 . 1 1 37 37 PRO CD C 13 50.6 0.5 . 1 . . . . . . . . 7226 1 229 . 1 1 37 37 PRO CA C 13 66.0 0.5 . 1 . . . . . . . . 7226 1 230 . 1 1 37 37 PRO HA H 1 4.26 0.01 . 1 . . . . . . . . 7226 1 231 . 1 1 37 37 PRO CB C 13 32.0 0.5 . 1 . . . . . . . . 7226 1 232 . 1 1 37 37 PRO HB2 H 1 1.80 0.01 . 2 . . . . . . . . 7226 1 233 . 1 1 37 37 PRO HB3 H 1 2.73 0.01 . 2 . . . . . . . . 7226 1 234 . 1 1 37 37 PRO CG C 13 27.3 0.5 . 1 . . . . . . . . 7226 1 235 . 1 1 37 37 PRO HG2 H 1 1.78 0.01 . 2 . . . . . . . . 7226 1 236 . 1 1 37 37 PRO HG3 H 1 2.05 0.01 . 2 . . . . . . . . 7226 1 237 . 1 1 37 37 PRO HD2 H 1 3.59 0.01 . 2 . . . . . . . . 7226 1 238 . 1 1 37 37 PRO HD3 H 1 3.70 0.01 . 2 . . . . . . . . 7226 1 239 . 1 1 38 38 ALA N N 15 114.4 0.5 . 1 . . . . . . . . 7226 1 240 . 1 1 38 38 ALA H H 1 8.10 0.01 . 1 . . . . . . . . 7226 1 241 . 1 1 38 38 ALA CA C 13 53.5 0.5 . 1 . . . . . . . . 7226 1 242 . 1 1 38 38 ALA HA H 1 3.78 0.01 . 1 . . . . . . . . 7226 1 243 . 1 1 38 38 ALA HB1 H 1 0.98 0.01 . 1 . . . . . . . . 7226 1 244 . 1 1 38 38 ALA HB2 H 1 0.98 0.01 . 1 . . . . . . . . 7226 1 245 . 1 1 38 38 ALA HB3 H 1 0.98 0.01 . 1 . . . . . . . . 7226 1 246 . 1 1 38 38 ALA CB C 13 20.5 0.5 . 1 . . . . . . . . 7226 1 247 . 1 1 39 39 SER N N 15 115.0 0.5 . 1 . . . . . . . . 7226 1 248 . 1 1 39 39 SER H H 1 7.75 0.01 . 1 . . . . . . . . 7226 1 249 . 1 1 39 39 SER CA C 13 61.1 0.5 . 1 . . . . . . . . 7226 1 250 . 1 1 39 39 SER HA H 1 3.89 0.01 . 1 . . . . . . . . 7226 1 251 . 1 1 39 39 SER CB C 13 62.7 0.5 . 1 . . . . . . . . 7226 1 252 . 1 1 39 39 SER HB2 H 1 3.99 0.01 . 2 . . . . . . . . 7226 1 253 . 1 1 39 39 SER HB3 H 1 4.02 0.01 . 2 . . . . . . . . 7226 1 254 . 1 1 40 40 LYS CA C 13 56.8 0.5 . 1 . . . . . . . . 7226 1 255 . 1 1 40 40 LYS HA H 1 4.26 0.01 . 1 . . . . . . . . 7226 1 256 . 1 1 40 40 LYS CB C 13 32.1 0.5 . 1 . . . . . . . . 7226 1 257 . 1 1 40 40 LYS HB2 H 1 1.82 0.01 . 2 . . . . . . . . 7226 1 258 . 1 1 40 40 LYS HB3 H 1 2.01 0.01 . 2 . . . . . . . . 7226 1 259 . 1 1 40 40 LYS CG C 13 25.2 0.5 . 1 . . . . . . . . 7226 1 260 . 1 1 40 40 LYS HG2 H 1 1.35 0.01 . 2 . . . . . . . . 7226 1 261 . 1 1 40 40 LYS HG3 H 1 1.42 0.01 . 2 . . . . . . . . 7226 1 262 . 1 1 40 40 LYS CD C 13 28.5 0.5 . 1 . . . . . . . . 7226 1 263 . 1 1 40 40 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 7226 1 264 . 1 1 40 40 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 7226 1 265 . 1 1 40 40 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 7226 1 266 . 1 1 40 40 LYS HE2 H 1 2.88 0.01 . 1 . . . . . . . . 7226 1 267 . 1 1 40 40 LYS HE3 H 1 2.88 0.01 . 1 . . . . . . . . 7226 1 268 . 1 1 41 41 VAL N N 15 114.8 0.5 . 1 . . . . . . . . 7226 1 269 . 1 1 41 41 VAL H H 1 7.40 0.01 . 1 . . . . . . . . 7226 1 270 . 1 1 41 41 VAL CA C 13 63.0 0.5 . 1 . . . . . . . . 7226 1 271 . 1 1 41 41 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 7226 1 272 . 1 1 41 41 VAL CB C 13 36.1 0.5 . 1 . . . . . . . . 7226 1 273 . 1 1 41 41 VAL HB H 1 1.68 0.01 . 1 . . . . . . . . 7226 1 274 . 1 1 41 41 VAL HG11 H 1 0.90 0.01 . 2 . . . . . . . . 7226 1 275 . 1 1 41 41 VAL HG12 H 1 0.90 0.01 . 2 . . . . . . . . 7226 1 276 . 1 1 41 41 VAL HG13 H 1 0.90 0.01 . 2 . . . . . . . . 7226 1 277 . 1 1 41 41 VAL HG21 H 1 0.87 0.01 . 2 . . . . . . . . 7226 1 278 . 1 1 41 41 VAL HG22 H 1 0.87 0.01 . 2 . . . . . . . . 7226 1 279 . 1 1 41 41 VAL HG23 H 1 0.87 0.01 . 2 . . . . . . . . 7226 1 280 . 1 1 41 41 VAL CG1 C 13 21.7 0.5 . 1 . . . . . . . . 7226 1 281 . 1 1 41 41 VAL CG2 C 13 20.2 0.5 . 1 . . . . . . . . 7226 1 282 . 1 1 42 42 LEU N N 15 116.5 0.5 . 1 . . . . . . . . 7226 1 283 . 1 1 42 42 LEU H H 1 8.22 0.01 . 1 . . . . . . . . 7226 1 284 . 1 1 42 42 LEU CA C 13 52.6 0.5 . 1 . . . . . . . . 7226 1 285 . 1 1 42 42 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 7226 1 286 . 1 1 42 42 LEU CB C 13 43.1 0.5 . 1 . . . . . . . . 7226 1 287 . 1 1 42 42 LEU HB2 H 1 1.27 0.01 . 2 . . . . . . . . 7226 1 288 . 1 1 42 42 LEU HB3 H 1 0.87 0.01 . 2 . . . . . . . . 7226 1 289 . 1 1 42 42 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 7226 1 290 . 1 1 42 42 LEU HG H 1 1.25 0.01 . 1 . . . . . . . . 7226 1 291 . 1 1 42 42 LEU HD11 H 1 0.55 0.01 . 2 . . . . . . . . 7226 1 292 . 1 1 42 42 LEU HD12 H 1 0.55 0.01 . 2 . . . . . . . . 7226 1 293 . 1 1 42 42 LEU HD13 H 1 0.55 0.01 . 2 . . . . . . . . 7226 1 294 . 1 1 42 42 LEU HD21 H 1 0.05 0.01 . 2 . . . . . . . . 7226 1 295 . 1 1 42 42 LEU HD22 H 1 0.05 0.01 . 2 . . . . . . . . 7226 1 296 . 1 1 42 42 LEU HD23 H 1 0.05 0.01 . 2 . . . . . . . . 7226 1 297 . 1 1 42 42 LEU CD1 C 13 25.2 0.5 . 1 . . . . . . . . 7226 1 298 . 1 1 42 42 LEU CD2 C 13 21.8 0.5 . 1 . . . . . . . . 7226 1 299 . 1 1 43 43 THR N N 15 109.7 0.5 . 1 . . . . . . . . 7226 1 300 . 1 1 43 43 THR H H 1 6.13 0.01 . 1 . . . . . . . . 7226 1 301 . 1 1 43 43 THR CA C 13 57.7 0.5 . 1 . . . . . . . . 7226 1 302 . 1 1 43 43 THR HA H 1 4.53 0.01 . 1 . . . . . . . . 7226 1 303 . 1 1 43 43 THR CB C 13 70.3 0.5 . 1 . . . . . . . . 7226 1 304 . 1 1 43 43 THR HB H 1 3.91 0.01 . 1 . . . . . . . . 7226 1 305 . 1 1 43 43 THR HG21 H 1 1.00 0.01 . 1 . . . . . . . . 7226 1 306 . 1 1 43 43 THR HG22 H 1 1.00 0.01 . 1 . . . . . . . . 7226 1 307 . 1 1 43 43 THR HG23 H 1 1.00 0.01 . 1 . . . . . . . . 7226 1 308 . 1 1 43 43 THR CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 309 . 1 1 44 44 PRO CD C 13 50.6 0.5 . 1 . . . . . . . . 7226 1 310 . 1 1 44 44 PRO CA C 13 62.6 0.5 . 1 . . . . . . . . 7226 1 311 . 1 1 44 44 PRO HA H 1 3.85 0.01 . 1 . . . . . . . . 7226 1 312 . 1 1 44 44 PRO CB C 13 31.5 0.5 . 1 . . . . . . . . 7226 1 313 . 1 1 44 44 PRO HB2 H 1 1.76 0.01 . 2 . . . . . . . . 7226 1 314 . 1 1 44 44 PRO HB3 H 1 1.94 0.01 . 2 . . . . . . . . 7226 1 315 . 1 1 44 44 PRO CG C 13 28.3 0.5 . 1 . . . . . . . . 7226 1 316 . 1 1 44 44 PRO HG2 H 1 1.54 0.01 . 2 . . . . . . . . 7226 1 317 . 1 1 44 44 PRO HG3 H 1 2.08 0.01 . 2 . . . . . . . . 7226 1 318 . 1 1 44 44 PRO HD2 H 1 3.52 0.01 . 2 . . . . . . . . 7226 1 319 . 1 1 44 44 PRO HD3 H 1 3.56 0.01 . 2 . . . . . . . . 7226 1 320 . 1 1 45 45 GLY N N 15 111.8 0.5 . 1 . . . . . . . . 7226 1 321 . 1 1 45 45 GLY H H 1 9.34 0.01 . 1 . . . . . . . . 7226 1 322 . 1 1 45 45 GLY CA C 13 44.0 0.5 . 1 . . . . . . . . 7226 1 323 . 1 1 45 45 GLY HA2 H 1 3.35 0.01 . 2 . . . . . . . . 7226 1 324 . 1 1 45 45 GLY HA3 H 1 4.36 0.01 . 2 . . . . . . . . 7226 1 325 . 1 1 46 46 LEU N N 15 119.3 0.5 . 1 . . . . . . . . 7226 1 326 . 1 1 46 46 LEU H H 1 6.70 0.01 . 1 . . . . . . . . 7226 1 327 . 1 1 46 46 LEU CA C 13 55.1 0.5 . 1 . . . . . . . . 7226 1 328 . 1 1 46 46 LEU HA H 1 4.26 0.01 . 1 . . . . . . . . 7226 1 329 . 1 1 46 46 LEU CB C 13 43.9 0.5 . 1 . . . . . . . . 7226 1 330 . 1 1 46 46 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 7226 1 331 . 1 1 46 46 LEU HB3 H 1 1.11 0.01 . 2 . . . . . . . . 7226 1 332 . 1 1 46 46 LEU CG C 13 26.3 0.5 . 1 . . . . . . . . 7226 1 333 . 1 1 46 46 LEU HG H 1 1.77 0.01 . 1 . . . . . . . . 7226 1 334 . 1 1 46 46 LEU HD11 H 1 0.68 0.01 . 2 . . . . . . . . 7226 1 335 . 1 1 46 46 LEU HD12 H 1 0.68 0.01 . 2 . . . . . . . . 7226 1 336 . 1 1 46 46 LEU HD13 H 1 0.68 0.01 . 2 . . . . . . . . 7226 1 337 . 1 1 46 46 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 7226 1 338 . 1 1 46 46 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 7226 1 339 . 1 1 46 46 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 7226 1 340 . 1 1 46 46 LEU CD1 C 13 26.8 0.5 . 1 . . . . . . . . 7226 1 341 . 1 1 46 46 LEU CD2 C 13 22.7 0.5 . 1 . . . . . . . . 7226 1 342 . 1 1 47 47 VAL N N 15 121.5 0.5 . 1 . . . . . . . . 7226 1 343 . 1 1 47 47 VAL H H 1 8.81 0.01 . 1 . . . . . . . . 7226 1 344 . 1 1 47 47 VAL CA C 13 61.4 0.5 . 1 . . . . . . . . 7226 1 345 . 1 1 47 47 VAL HA H 1 4.03 0.01 . 1 . . . . . . . . 7226 1 346 . 1 1 47 47 VAL CB C 13 32.1 0.5 . 1 . . . . . . . . 7226 1 347 . 1 1 47 47 VAL HB H 1 1.49 0.01 . 1 . . . . . . . . 7226 1 348 . 1 1 47 47 VAL HG11 H 1 0.27 0.01 . 2 . . . . . . . . 7226 1 349 . 1 1 47 47 VAL HG12 H 1 0.27 0.01 . 2 . . . . . . . . 7226 1 350 . 1 1 47 47 VAL HG13 H 1 0.27 0.01 . 2 . . . . . . . . 7226 1 351 . 1 1 47 47 VAL HG21 H 1 -0.04 0.01 . 2 . . . . . . . . 7226 1 352 . 1 1 47 47 VAL HG22 H 1 -0.04 0.01 . 2 . . . . . . . . 7226 1 353 . 1 1 47 47 VAL HG23 H 1 -0.04 0.01 . 2 . . . . . . . . 7226 1 354 . 1 1 47 47 VAL CG1 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 355 . 1 1 47 47 VAL CG2 C 13 19.5 0.5 . 1 . . . . . . . . 7226 1 356 . 1 1 48 48 ILE N N 15 127.3 0.5 . 1 . . . . . . . . 7226 1 357 . 1 1 48 48 ILE H H 1 9.30 0.01 . 1 . . . . . . . . 7226 1 358 . 1 1 48 48 ILE CA C 13 62.8 0.5 . 1 . . . . . . . . 7226 1 359 . 1 1 48 48 ILE HA H 1 3.63 0.01 . 1 . . . . . . . . 7226 1 360 . 1 1 48 48 ILE CB C 13 38.0 0.5 . 1 . . . . . . . . 7226 1 361 . 1 1 48 48 ILE HB H 1 1.73 0.01 . 1 . . . . . . . . 7226 1 362 . 1 1 48 48 ILE HG21 H 1 0.84 0.01 . 1 . . . . . . . . 7226 1 363 . 1 1 48 48 ILE HG22 H 1 0.84 0.01 . 1 . . . . . . . . 7226 1 364 . 1 1 48 48 ILE HG23 H 1 0.84 0.01 . 1 . . . . . . . . 7226 1 365 . 1 1 48 48 ILE CG2 C 13 16.6 0.5 . 1 . . . . . . . . 7226 1 366 . 1 1 48 48 ILE CG1 C 13 27.0 0.5 . 1 . . . . . . . . 7226 1 367 . 1 1 48 48 ILE HG12 H 1 0.54 0.01 . 2 . . . . . . . . 7226 1 368 . 1 1 48 48 ILE HG13 H 1 1.47 0.01 . 2 . . . . . . . . 7226 1 369 . 1 1 48 48 ILE HD11 H 1 0.51 0.01 . 1 . . . . . . . . 7226 1 370 . 1 1 48 48 ILE HD12 H 1 0.51 0.01 . 1 . . . . . . . . 7226 1 371 . 1 1 48 48 ILE HD13 H 1 0.51 0.01 . 1 . . . . . . . . 7226 1 372 . 1 1 48 48 ILE CD1 C 13 13.6 0.5 . 1 . . . . . . . . 7226 1 373 . 1 1 49 49 GLU N N 15 125.1 0.5 . 1 . . . . . . . . 7226 1 374 . 1 1 49 49 GLU H H 1 8.86 0.01 . 1 . . . . . . . . 7226 1 375 . 1 1 49 49 GLU CA C 13 55.9 0.5 . 1 . . . . . . . . 7226 1 376 . 1 1 49 49 GLU HA H 1 4.33 0.01 . 1 . . . . . . . . 7226 1 377 . 1 1 49 49 GLU CB C 13 31.7 0.5 . 1 . . . . . . . . 7226 1 378 . 1 1 49 49 GLU HB2 H 1 1.60 0.01 . 2 . . . . . . . . 7226 1 379 . 1 1 49 49 GLU HB3 H 1 1.80 0.01 . 2 . . . . . . . . 7226 1 380 . 1 1 49 49 GLU CG C 13 36.0 0.5 . 1 . . . . . . . . 7226 1 381 . 1 1 49 49 GLU HG2 H 1 1.92 0.01 . 2 . . . . . . . . 7226 1 382 . 1 1 49 49 GLU HG3 H 1 2.11 0.01 . 2 . . . . . . . . 7226 1 383 . 1 1 50 50 SER N N 15 113.4 0.5 . 1 . . . . . . . . 7226 1 384 . 1 1 50 50 SER H H 1 7.84 0.01 . 1 . . . . . . . . 7226 1 385 . 1 1 50 50 SER CA C 13 57.9 0.5 . 1 . . . . . . . . 7226 1 386 . 1 1 50 50 SER HA H 1 4.98 0.01 . 1 . . . . . . . . 7226 1 387 . 1 1 50 50 SER CB C 13 64.8 0.5 . 1 . . . . . . . . 7226 1 388 . 1 1 50 50 SER HB2 H 1 3.20 0.01 . 2 . . . . . . . . 7226 1 389 . 1 1 50 50 SER HB3 H 1 3.75 0.01 . 2 . . . . . . . . 7226 1 390 . 1 1 51 51 ILE N N 15 118.6 0.5 . 1 . . . . . . . . 7226 1 391 . 1 1 51 51 ILE H H 1 8.24 0.01 . 1 . . . . . . . . 7226 1 392 . 1 1 51 51 ILE CA C 13 59.7 0.5 . 1 . . . . . . . . 7226 1 393 . 1 1 51 51 ILE HA H 1 4.74 0.01 . 1 . . . . . . . . 7226 1 394 . 1 1 51 51 ILE CB C 13 41.5 0.5 . 1 . . . . . . . . 7226 1 395 . 1 1 51 51 ILE HB H 1 1.33 0.01 . 1 . . . . . . . . 7226 1 396 . 1 1 51 51 ILE HG21 H 1 0.60 0.01 . 1 . . . . . . . . 7226 1 397 . 1 1 51 51 ILE HG22 H 1 0.60 0.01 . 1 . . . . . . . . 7226 1 398 . 1 1 51 51 ILE HG23 H 1 0.60 0.01 . 1 . . . . . . . . 7226 1 399 . 1 1 51 51 ILE CG2 C 13 16.7 0.5 . 1 . . . . . . . . 7226 1 400 . 1 1 51 51 ILE CG1 C 13 27.6 0.5 . 1 . . . . . . . . 7226 1 401 . 1 1 51 51 ILE HG12 H 1 1.57 0.01 . 2 . . . . . . . . 7226 1 402 . 1 1 51 51 ILE HG13 H 1 0.90 0.01 . 2 . . . . . . . . 7226 1 403 . 1 1 51 51 ILE HD11 H 1 0.69 0.01 . 1 . . . . . . . . 7226 1 404 . 1 1 51 51 ILE HD12 H 1 0.69 0.01 . 1 . . . . . . . . 7226 1 405 . 1 1 51 51 ILE HD13 H 1 0.69 0.01 . 1 . . . . . . . . 7226 1 406 . 1 1 51 51 ILE CD1 C 13 13.5 0.5 . 1 . . . . . . . . 7226 1 407 . 1 1 52 52 ASN N N 15 126.7 0.5 . 1 . . . . . . . . 7226 1 408 . 1 1 52 52 ASN H H 1 9.68 0.01 . 1 . . . . . . . . 7226 1 409 . 1 1 52 52 ASN CA C 13 53.3 0.5 . 1 . . . . . . . . 7226 1 410 . 1 1 52 52 ASN HA H 1 4.50 0.01 . 1 . . . . . . . . 7226 1 411 . 1 1 52 52 ASN CB C 13 36.4 0.5 . 1 . . . . . . . . 7226 1 412 . 1 1 52 52 ASN HB2 H 1 2.67 0.01 . 2 . . . . . . . . 7226 1 413 . 1 1 52 52 ASN HB3 H 1 3.27 0.01 . 2 . . . . . . . . 7226 1 414 . 1 1 52 52 ASN ND2 N 15 109.7 0.5 . 1 . . . . . . . . 7226 1 415 . 1 1 52 52 ASN HD21 H 1 7.58 0.01 . 2 . . . . . . . . 7226 1 416 . 1 1 52 52 ASN HD22 H 1 6.79 0.01 . 2 . . . . . . . . 7226 1 417 . 1 1 53 53 GLY N N 15 103.0 0.5 . 1 . . . . . . . . 7226 1 418 . 1 1 53 53 GLY H H 1 8.71 0.01 . 1 . . . . . . . . 7226 1 419 . 1 1 53 53 GLY CA C 13 45.0 0.5 . 1 . . . . . . . . 7226 1 420 . 1 1 53 53 GLY HA2 H 1 3.49 0.01 . 2 . . . . . . . . 7226 1 421 . 1 1 53 53 GLY HA3 H 1 4.04 0.01 . 2 . . . . . . . . 7226 1 422 . 1 1 54 54 MET N N 15 123.1 0.5 . 1 . . . . . . . . 7226 1 423 . 1 1 54 54 MET H H 1 8.30 0.01 . 1 . . . . . . . . 7226 1 424 . 1 1 54 54 MET CA C 13 52.5 0.5 . 1 . . . . . . . . 7226 1 425 . 1 1 54 54 MET HA H 1 4.67 0.01 . 1 . . . . . . . . 7226 1 426 . 1 1 54 54 MET CB C 13 32.7 0.5 . 1 . . . . . . . . 7226 1 427 . 1 1 54 54 MET HB2 H 1 1.88 0.01 . 2 . . . . . . . . 7226 1 428 . 1 1 54 54 MET HB3 H 1 2.33 0.01 . 2 . . . . . . . . 7226 1 429 . 1 1 54 54 MET CG C 13 31.6 0.5 . 1 . . . . . . . . 7226 1 430 . 1 1 54 54 MET HG2 H 1 2.42 0.01 . 2 . . . . . . . . 7226 1 431 . 1 1 54 54 MET HG3 H 1 2.45 0.01 . 2 . . . . . . . . 7226 1 432 . 1 1 54 54 MET HE1 H 1 2.03 0.01 . 1 . . . . . . . . 7226 1 433 . 1 1 54 54 MET HE2 H 1 2.03 0.01 . 1 . . . . . . . . 7226 1 434 . 1 1 54 54 MET HE3 H 1 2.03 0.01 . 1 . . . . . . . . 7226 1 435 . 1 1 54 54 MET CE C 13 16.7 0.5 . 1 . . . . . . . . 7226 1 436 . 1 1 55 55 PRO CD C 13 50.7 0.5 . 1 . . . . . . . . 7226 1 437 . 1 1 55 55 PRO CA C 13 62.7 0.5 . 1 . . . . . . . . 7226 1 438 . 1 1 55 55 PRO HA H 1 4.34 0.01 . 1 . . . . . . . . 7226 1 439 . 1 1 55 55 PRO CB C 13 32.0 0.5 . 1 . . . . . . . . 7226 1 440 . 1 1 55 55 PRO HB2 H 1 1.91 0.01 . 2 . . . . . . . . 7226 1 441 . 1 1 55 55 PRO HB3 H 1 2.23 0.01 . 2 . . . . . . . . 7226 1 442 . 1 1 55 55 PRO CG C 13 27.3 0.5 . 1 . . . . . . . . 7226 1 443 . 1 1 55 55 PRO HG2 H 1 1.93 0.01 . 2 . . . . . . . . 7226 1 444 . 1 1 55 55 PRO HG3 H 1 2.08 0.01 . 2 . . . . . . . . 7226 1 445 . 1 1 55 55 PRO HD2 H 1 3.68 0.01 . 2 . . . . . . . . 7226 1 446 . 1 1 55 55 PRO HD3 H 1 3.97 0.01 . 2 . . . . . . . . 7226 1 447 . 1 1 56 56 THR N N 15 116.4 0.5 . 1 . . . . . . . . 7226 1 448 . 1 1 56 56 THR H H 1 8.35 0.01 . 1 . . . . . . . . 7226 1 449 . 1 1 56 56 THR CA C 13 56.8 0.5 . 1 . . . . . . . . 7226 1 450 . 1 1 56 56 THR HA H 1 4.53 0.01 . 1 . . . . . . . . 7226 1 451 . 1 1 56 56 THR CB C 13 68.4 0.5 . 1 . . . . . . . . 7226 1 452 . 1 1 56 56 THR HB H 1 4.11 0.01 . 1 . . . . . . . . 7226 1 453 . 1 1 56 56 THR HG21 H 1 0.98 0.01 . 1 . . . . . . . . 7226 1 454 . 1 1 56 56 THR HG22 H 1 0.98 0.01 . 1 . . . . . . . . 7226 1 455 . 1 1 56 56 THR HG23 H 1 0.98 0.01 . 1 . . . . . . . . 7226 1 456 . 1 1 56 56 THR HG1 H 1 3.89 0.01 . 1 . . . . . . . . 7226 1 457 . 1 1 56 56 THR CG2 C 13 20.6 0.5 . 1 . . . . . . . . 7226 1 458 . 1 1 57 57 SER N N 15 113.8 0.5 . 1 . . . . . . . . 7226 1 459 . 1 1 57 57 SER H H 1 7.40 0.01 . 1 . . . . . . . . 7226 1 460 . 1 1 57 57 SER CA C 13 58.7 0.5 . 1 . . . . . . . . 7226 1 461 . 1 1 57 57 SER HA H 1 3.87 0.01 . 1 . . . . . . . . 7226 1 462 . 1 1 57 57 SER CB C 13 63.4 0.5 . 1 . . . . . . . . 7226 1 463 . 1 1 57 57 SER HB2 H 1 3.75 0.01 . 2 . . . . . . . . 7226 1 464 . 1 1 57 57 SER HB3 H 1 3.72 0.01 . 2 . . . . . . . . 7226 1 465 . 1 1 58 58 ASN N N 15 111.7 0.5 . 1 . . . . . . . . 7226 1 466 . 1 1 58 58 ASN H H 1 7.53 0.01 . 1 . . . . . . . . 7226 1 467 . 1 1 58 58 ASN CA C 13 51.4 0.5 . 1 . . . . . . . . 7226 1 468 . 1 1 58 58 ASN HA H 1 4.54 0.01 . 1 . . . . . . . . 7226 1 469 . 1 1 58 58 ASN CB C 13 39.5 0.5 . 1 . . . . . . . . 7226 1 470 . 1 1 58 58 ASN HB2 H 1 2.94 0.01 . 2 . . . . . . . . 7226 1 471 . 1 1 58 58 ASN HB3 H 1 3.08 0.01 . 2 . . . . . . . . 7226 1 472 . 1 1 58 58 ASN ND2 N 15 114.7 0.5 . 1 . . . . . . . . 7226 1 473 . 1 1 58 58 ASN HD21 H 1 6.98 0.01 . 2 . . . . . . . . 7226 1 474 . 1 1 58 58 ASN HD22 H 1 7.44 0.01 . 2 . . . . . . . . 7226 1 475 . 1 1 59 59 LEU N N 15 119.0 0.5 . 1 . . . . . . . . 7226 1 476 . 1 1 59 59 LEU H H 1 9.20 0.01 . 1 . . . . . . . . 7226 1 477 . 1 1 59 59 LEU CA C 13 58.1 0.5 . 1 . . . . . . . . 7226 1 478 . 1 1 59 59 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 7226 1 479 . 1 1 59 59 LEU CB C 13 41.8 0.5 . 1 . . . . . . . . 7226 1 480 . 1 1 59 59 LEU HB2 H 1 1.50 0.01 . 2 . . . . . . . . 7226 1 481 . 1 1 59 59 LEU HB3 H 1 1.77 0.01 . 2 . . . . . . . . 7226 1 482 . 1 1 59 59 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 7226 1 483 . 1 1 59 59 LEU HG H 1 1.50 0.01 . 1 . . . . . . . . 7226 1 484 . 1 1 59 59 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 485 . 1 1 59 59 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 486 . 1 1 59 59 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 487 . 1 1 59 59 LEU HD21 H 1 0.54 0.01 . 2 . . . . . . . . 7226 1 488 . 1 1 59 59 LEU HD22 H 1 0.54 0.01 . 2 . . . . . . . . 7226 1 489 . 1 1 59 59 LEU HD23 H 1 0.54 0.01 . 2 . . . . . . . . 7226 1 490 . 1 1 59 59 LEU CD1 C 13 25.8 0.5 . 1 . . . . . . . . 7226 1 491 . 1 1 59 59 LEU CD2 C 13 23.0 0.5 . 1 . . . . . . . . 7226 1 492 . 1 1 60 60 THR N N 15 117.9 0.5 . 1 . . . . . . . . 7226 1 493 . 1 1 60 60 THR H H 1 8.26 0.01 . 1 . . . . . . . . 7226 1 494 . 1 1 60 60 THR CA C 13 66.7 0.5 . 1 . . . . . . . . 7226 1 495 . 1 1 60 60 THR HA H 1 3.96 0.01 . 1 . . . . . . . . 7226 1 496 . 1 1 60 60 THR CB C 13 68.0 0.5 . 1 . . . . . . . . 7226 1 497 . 1 1 60 60 THR HB H 1 4.25 0.01 . 1 . . . . . . . . 7226 1 498 . 1 1 60 60 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 7226 1 499 . 1 1 60 60 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 7226 1 500 . 1 1 60 60 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 7226 1 501 . 1 1 60 60 THR CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 502 . 1 1 61 61 THR N N 15 115.4 0.5 . 1 . . . . . . . . 7226 1 503 . 1 1 61 61 THR H H 1 8.47 0.01 . 1 . . . . . . . . 7226 1 504 . 1 1 61 61 THR CA C 13 64.5 0.5 . 1 . . . . . . . . 7226 1 505 . 1 1 61 61 THR HA H 1 4.10 0.01 . 1 . . . . . . . . 7226 1 506 . 1 1 61 61 THR CB C 13 68.4 0.5 . 1 . . . . . . . . 7226 1 507 . 1 1 61 61 THR HB H 1 4.38 0.01 . 1 . . . . . . . . 7226 1 508 . 1 1 61 61 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 7226 1 509 . 1 1 61 61 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 7226 1 510 . 1 1 61 61 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 7226 1 511 . 1 1 61 61 THR CG2 C 13 23.1 0.5 . 1 . . . . . . . . 7226 1 512 . 1 1 62 62 TYR N N 15 125.2 0.5 . 1 . . . . . . . . 7226 1 513 . 1 1 62 62 TYR H H 1 8.68 0.01 . 1 . . . . . . . . 7226 1 514 . 1 1 62 62 TYR CA C 13 61.4 0.5 . 1 . . . . . . . . 7226 1 515 . 1 1 62 62 TYR HA H 1 4.10 0.01 . 1 . . . . . . . . 7226 1 516 . 1 1 62 62 TYR CB C 13 39.6 0.5 . 1 . . . . . . . . 7226 1 517 . 1 1 62 62 TYR HB2 H 1 2.89 0.01 . 2 . . . . . . . . 7226 1 518 . 1 1 62 62 TYR HB3 H 1 3.09 0.01 . 2 . . . . . . . . 7226 1 519 . 1 1 62 62 TYR HD1 H 1 6.77 0.01 . 1 . . . . . . . . 7226 1 520 . 1 1 62 62 TYR HD2 H 1 6.77 0.01 . 1 . . . . . . . . 7226 1 521 . 1 1 62 62 TYR HE1 H 1 6.43 0.01 . 1 . . . . . . . . 7226 1 522 . 1 1 62 62 TYR HE2 H 1 6.43 0.01 . 1 . . . . . . . . 7226 1 523 . 1 1 62 62 TYR CD1 C 13 131.9 0.5 . 1 . . . . . . . . 7226 1 524 . 1 1 62 62 TYR CE1 C 13 117.1 0.5 . 1 . . . . . . . . 7226 1 525 . 1 1 63 63 SER N N 15 114.3 0.5 . 1 . . . . . . . . 7226 1 526 . 1 1 63 63 SER H H 1 8.37 0.01 . 1 . . . . . . . . 7226 1 527 . 1 1 63 63 SER CA C 13 61.9 0.5 . 1 . . . . . . . . 7226 1 528 . 1 1 63 63 SER HA H 1 3.78 0.01 . 1 . . . . . . . . 7226 1 529 . 1 1 63 63 SER CB C 13 62.4 0.5 . 1 . . . . . . . . 7226 1 530 . 1 1 63 63 SER HB2 H 1 4.00 0.01 . 2 . . . . . . . . 7226 1 531 . 1 1 63 63 SER HB3 H 1 3.89 0.01 . 2 . . . . . . . . 7226 1 532 . 1 1 64 64 ALA N N 15 122.0 0.5 . 1 . . . . . . . . 7226 1 533 . 1 1 64 64 ALA H H 1 7.58 0.01 . 1 . . . . . . . . 7226 1 534 . 1 1 64 64 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 7226 1 535 . 1 1 64 64 ALA HA H 1 3.99 0.01 . 1 . . . . . . . . 7226 1 536 . 1 1 64 64 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 7226 1 537 . 1 1 64 64 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 7226 1 538 . 1 1 64 64 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 7226 1 539 . 1 1 64 64 ALA CB C 13 17.7 0.5 . 1 . . . . . . . . 7226 1 540 . 1 1 65 65 ALA N N 15 121.0 0.5 . 1 . . . . . . . . 7226 1 541 . 1 1 65 65 ALA H H 1 7.80 0.01 . 1 . . . . . . . . 7226 1 542 . 1 1 65 65 ALA CA C 13 54.4 0.5 . 1 . . . . . . . . 7226 1 543 . 1 1 65 65 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 7226 1 544 . 1 1 65 65 ALA HB1 H 1 1.28 0.01 . 1 . . . . . . . . 7226 1 545 . 1 1 65 65 ALA HB2 H 1 1.28 0.01 . 1 . . . . . . . . 7226 1 546 . 1 1 65 65 ALA HB3 H 1 1.28 0.01 . 1 . . . . . . . . 7226 1 547 . 1 1 65 65 ALA CB C 13 17.6 0.5 . 1 . . . . . . . . 7226 1 548 . 1 1 66 66 LEU N N 15 119.0 0.5 . 1 . . . . . . . . 7226 1 549 . 1 1 66 66 LEU H H 1 7.91 0.01 . 1 . . . . . . . . 7226 1 550 . 1 1 66 66 LEU CA C 13 56.9 0.5 . 1 . . . . . . . . 7226 1 551 . 1 1 66 66 LEU HA H 1 3.75 0.01 . 1 . . . . . . . . 7226 1 552 . 1 1 66 66 LEU CB C 13 41.0 0.5 . 1 . . . . . . . . 7226 1 553 . 1 1 66 66 LEU HB2 H 1 1.42 0.01 . 2 . . . . . . . . 7226 1 554 . 1 1 66 66 LEU HB3 H 1 1.28 0.01 . 2 . . . . . . . . 7226 1 555 . 1 1 66 66 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 7226 1 556 . 1 1 66 66 LEU HG H 1 1.32 0.01 . 1 . . . . . . . . 7226 1 557 . 1 1 66 66 LEU HD11 H 1 0.46 0.01 . 2 . . . . . . . . 7226 1 558 . 1 1 66 66 LEU HD12 H 1 0.46 0.01 . 2 . . . . . . . . 7226 1 559 . 1 1 66 66 LEU HD13 H 1 0.46 0.01 . 2 . . . . . . . . 7226 1 560 . 1 1 66 66 LEU HD21 H 1 0.52 0.01 . 2 . . . . . . . . 7226 1 561 . 1 1 66 66 LEU HD22 H 1 0.52 0.01 . 2 . . . . . . . . 7226 1 562 . 1 1 66 66 LEU HD23 H 1 0.52 0.01 . 2 . . . . . . . . 7226 1 563 . 1 1 66 66 LEU CD1 C 13 23.4 0.5 . 1 . . . . . . . . 7226 1 564 . 1 1 66 66 LEU CD2 C 13 23.1 0.5 . 1 . . . . . . . . 7226 1 565 . 1 1 67 67 LYS N N 15 116.9 0.5 . 1 . . . . . . . . 7226 1 566 . 1 1 67 67 LYS H H 1 7.45 0.01 . 1 . . . . . . . . 7226 1 567 . 1 1 67 67 LYS CA C 13 58.4 0.5 . 1 . . . . . . . . 7226 1 568 . 1 1 67 67 LYS HA H 1 4.00 0.01 . 1 . . . . . . . . 7226 1 569 . 1 1 67 67 LYS CB C 13 32.6 0.5 . 1 . . . . . . . . 7226 1 570 . 1 1 67 67 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 7226 1 571 . 1 1 67 67 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 7226 1 572 . 1 1 67 67 LYS CG C 13 25.5 0.5 . 1 . . . . . . . . 7226 1 573 . 1 1 67 67 LYS HG2 H 1 1.39 0.01 . 2 . . . . . . . . 7226 1 574 . 1 1 67 67 LYS HG3 H 1 1.56 0.01 . 2 . . . . . . . . 7226 1 575 . 1 1 67 67 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 7226 1 576 . 1 1 67 67 LYS HD2 H 1 1.58 0.01 . 1 . . . . . . . . 7226 1 577 . 1 1 67 67 LYS HD3 H 1 1.58 0.01 . 1 . . . . . . . . 7226 1 578 . 1 1 67 67 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 7226 1 579 . 1 1 67 67 LYS HE2 H 1 2.86 0.01 . 1 . . . . . . . . 7226 1 580 . 1 1 67 67 LYS HE3 H 1 2.86 0.01 . 1 . . . . . . . . 7226 1 581 . 1 1 68 68 THR N N 15 107.1 0.5 . 1 . . . . . . . . 7226 1 582 . 1 1 68 68 THR H H 1 7.40 0.01 . 1 . . . . . . . . 7226 1 583 . 1 1 68 68 THR CA C 13 62.3 0.5 . 1 . . . . . . . . 7226 1 584 . 1 1 68 68 THR HA H 1 4.26 0.01 . 1 . . . . . . . . 7226 1 585 . 1 1 68 68 THR CB C 13 69.8 0.5 . 1 . . . . . . . . 7226 1 586 . 1 1 68 68 THR HB H 1 4.34 0.01 . 1 . . . . . . . . 7226 1 587 . 1 1 68 68 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 7226 1 588 . 1 1 68 68 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 7226 1 589 . 1 1 68 68 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 7226 1 590 . 1 1 68 68 THR CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 591 . 1 1 69 69 ILE N N 15 122.6 0.5 . 1 . . . . . . . . 7226 1 592 . 1 1 69 69 ILE H H 1 7.14 0.01 . 1 . . . . . . . . 7226 1 593 . 1 1 69 69 ILE CA C 13 59.6 0.5 . 1 . . . . . . . . 7226 1 594 . 1 1 69 69 ILE HA H 1 4.05 0.01 . 1 . . . . . . . . 7226 1 595 . 1 1 69 69 ILE CB C 13 38.2 0.5 . 1 . . . . . . . . 7226 1 596 . 1 1 69 69 ILE HB H 1 1.81 0.01 . 1 . . . . . . . . 7226 1 597 . 1 1 69 69 ILE HG21 H 1 0.80 0.01 . 1 . . . . . . . . 7226 1 598 . 1 1 69 69 ILE HG22 H 1 0.80 0.01 . 1 . . . . . . . . 7226 1 599 . 1 1 69 69 ILE HG23 H 1 0.80 0.01 . 1 . . . . . . . . 7226 1 600 . 1 1 69 69 ILE CG2 C 13 18.7 0.5 . 1 . . . . . . . . 7226 1 601 . 1 1 69 69 ILE CG1 C 13 27.0 0.5 . 1 . . . . . . . . 7226 1 602 . 1 1 69 69 ILE HG12 H 1 1.33 0.01 . 1 . . . . . . . . 7226 1 603 . 1 1 69 69 ILE HG13 H 1 1.33 0.01 . 1 . . . . . . . . 7226 1 604 . 1 1 69 69 ILE HD11 H 1 0.57 0.01 . 1 . . . . . . . . 7226 1 605 . 1 1 69 69 ILE HD12 H 1 0.57 0.01 . 1 . . . . . . . . 7226 1 606 . 1 1 69 69 ILE HD13 H 1 0.57 0.01 . 1 . . . . . . . . 7226 1 607 . 1 1 69 69 ILE CD1 C 13 12.3 0.5 . 1 . . . . . . . . 7226 1 608 . 1 1 70 70 SER N N 15 122.8 0.5 . 1 . . . . . . . . 7226 1 609 . 1 1 70 70 SER H H 1 8.79 0.01 . 1 . . . . . . . . 7226 1 610 . 1 1 70 70 SER CA C 13 57.6 0.5 . 1 . . . . . . . . 7226 1 611 . 1 1 70 70 SER HA H 1 4.68 0.01 . 1 . . . . . . . . 7226 1 612 . 1 1 70 70 SER CB C 13 64.2 0.5 . 1 . . . . . . . . 7226 1 613 . 1 1 70 70 SER HB2 H 1 3.70 0.01 . 2 . . . . . . . . 7226 1 614 . 1 1 70 70 SER HB3 H 1 3.80 0.01 . 2 . . . . . . . . 7226 1 615 . 1 1 71 71 VAL N N 15 123.5 0.5 . 1 . . . . . . . . 7226 1 616 . 1 1 71 71 VAL H H 1 8.52 0.01 . 1 . . . . . . . . 7226 1 617 . 1 1 71 71 VAL CA C 13 65.1 0.5 . 1 . . . . . . . . 7226 1 618 . 1 1 71 71 VAL HA H 1 3.22 0.01 . 1 . . . . . . . . 7226 1 619 . 1 1 71 71 VAL CB C 13 31.6 0.5 . 1 . . . . . . . . 7226 1 620 . 1 1 71 71 VAL HB H 1 1.77 0.01 . 1 . . . . . . . . 7226 1 621 . 1 1 71 71 VAL HG11 H 1 0.64 0.01 . 2 . . . . . . . . 7226 1 622 . 1 1 71 71 VAL HG12 H 1 0.64 0.01 . 2 . . . . . . . . 7226 1 623 . 1 1 71 71 VAL HG13 H 1 0.64 0.01 . 2 . . . . . . . . 7226 1 624 . 1 1 71 71 VAL HG21 H 1 0.86 0.01 . 2 . . . . . . . . 7226 1 625 . 1 1 71 71 VAL HG22 H 1 0.86 0.01 . 2 . . . . . . . . 7226 1 626 . 1 1 71 71 VAL HG23 H 1 0.86 0.01 . 2 . . . . . . . . 7226 1 627 . 1 1 71 71 VAL CG1 C 13 20.7 0.5 . 1 . . . . . . . . 7226 1 628 . 1 1 71 71 VAL CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 629 . 1 1 72 72 GLY N N 15 117.2 0.5 . 1 . . . . . . . . 7226 1 630 . 1 1 72 72 GLY H H 1 7.54 0.01 . 1 . . . . . . . . 7226 1 631 . 1 1 72 72 GLY CA C 13 44.9 0.5 . 1 . . . . . . . . 7226 1 632 . 1 1 72 72 GLY HA2 H 1 3.63 0.01 . 2 . . . . . . . . 7226 1 633 . 1 1 72 72 GLY HA3 H 1 4.11 0.01 . 2 . . . . . . . . 7226 1 634 . 1 1 73 73 GLU N N 15 120.6 0.5 . 1 . . . . . . . . 7226 1 635 . 1 1 73 73 GLU H H 1 7.45 0.01 . 1 . . . . . . . . 7226 1 636 . 1 1 73 73 GLU CA C 13 55.9 0.5 . 1 . . . . . . . . 7226 1 637 . 1 1 73 73 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 7226 1 638 . 1 1 73 73 GLU CB C 13 31.4 0.5 . 1 . . . . . . . . 7226 1 639 . 1 1 73 73 GLU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 7226 1 640 . 1 1 73 73 GLU HB3 H 1 1.88 0.01 . 2 . . . . . . . . 7226 1 641 . 1 1 73 73 GLU CG C 13 36.4 0.5 . 1 . . . . . . . . 7226 1 642 . 1 1 73 73 GLU HG2 H 1 2.04 0.01 . 2 . . . . . . . . 7226 1 643 . 1 1 73 73 GLU HG3 H 1 2.21 0.01 . 2 . . . . . . . . 7226 1 644 . 1 1 74 74 VAL N N 15 125.1 0.5 . 1 . . . . . . . . 7226 1 645 . 1 1 74 74 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 7226 1 646 . 1 1 74 74 VAL CA C 13 61.9 0.5 . 1 . . . . . . . . 7226 1 647 . 1 1 74 74 VAL HA H 1 4.56 0.01 . 1 . . . . . . . . 7226 1 648 . 1 1 74 74 VAL CB C 13 31.0 0.5 . 1 . . . . . . . . 7226 1 649 . 1 1 74 74 VAL HB H 1 1.92 0.01 . 1 . . . . . . . . 7226 1 650 . 1 1 74 74 VAL HG11 H 1 0.73 0.01 . 2 . . . . . . . . 7226 1 651 . 1 1 74 74 VAL HG12 H 1 0.73 0.01 . 2 . . . . . . . . 7226 1 652 . 1 1 74 74 VAL HG13 H 1 0.73 0.01 . 2 . . . . . . . . 7226 1 653 . 1 1 74 74 VAL HG21 H 1 0.87 0.01 . 2 . . . . . . . . 7226 1 654 . 1 1 74 74 VAL HG22 H 1 0.87 0.01 . 2 . . . . . . . . 7226 1 655 . 1 1 74 74 VAL HG23 H 1 0.87 0.01 . 2 . . . . . . . . 7226 1 656 . 1 1 74 74 VAL CG1 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 657 . 1 1 74 74 VAL CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 658 . 1 1 75 75 ILE N N 15 123.5 0.5 . 1 . . . . . . . . 7226 1 659 . 1 1 75 75 ILE H H 1 9.03 0.01 . 1 . . . . . . . . 7226 1 660 . 1 1 75 75 ILE CA C 13 59.0 0.5 . 1 . . . . . . . . 7226 1 661 . 1 1 75 75 ILE HA H 1 4.83 0.01 . 1 . . . . . . . . 7226 1 662 . 1 1 75 75 ILE CB C 13 40.6 0.5 . 1 . . . . . . . . 7226 1 663 . 1 1 75 75 ILE HB H 1 1.59 0.01 . 1 . . . . . . . . 7226 1 664 . 1 1 75 75 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 7226 1 665 . 1 1 75 75 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 7226 1 666 . 1 1 75 75 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 7226 1 667 . 1 1 75 75 ILE CG2 C 13 18.6 0.5 . 1 . . . . . . . . 7226 1 668 . 1 1 75 75 ILE CG1 C 13 25.0 0.5 . 1 . . . . . . . . 7226 1 669 . 1 1 75 75 ILE HG12 H 1 1.21 0.01 . 2 . . . . . . . . 7226 1 670 . 1 1 75 75 ILE HG13 H 1 1.34 0.01 . 2 . . . . . . . . 7226 1 671 . 1 1 75 75 ILE HD11 H 1 0.65 0.01 . 1 . . . . . . . . 7226 1 672 . 1 1 75 75 ILE HD12 H 1 0.65 0.01 . 1 . . . . . . . . 7226 1 673 . 1 1 75 75 ILE HD13 H 1 0.65 0.01 . 1 . . . . . . . . 7226 1 674 . 1 1 75 75 ILE CD1 C 13 14.0 0.5 . 1 . . . . . . . . 7226 1 675 . 1 1 76 76 ASN N N 15 119.4 0.5 . 1 . . . . . . . . 7226 1 676 . 1 1 76 76 ASN H H 1 8.48 0.01 . 1 . . . . . . . . 7226 1 677 . 1 1 76 76 ASN CA C 13 51.5 0.5 . 1 . . . . . . . . 7226 1 678 . 1 1 76 76 ASN HA H 1 4.96 0.01 . 1 . . . . . . . . 7226 1 679 . 1 1 76 76 ASN CB C 13 39.9 0.5 . 1 . . . . . . . . 7226 1 680 . 1 1 76 76 ASN HB2 H 1 2.56 0.01 . 2 . . . . . . . . 7226 1 681 . 1 1 76 76 ASN HB3 H 1 2.65 0.01 . 2 . . . . . . . . 7226 1 682 . 1 1 76 76 ASN ND2 N 15 112.7 0.5 . 1 . . . . . . . . 7226 1 683 . 1 1 76 76 ASN HD21 H 1 7.33 0.01 . 2 . . . . . . . . 7226 1 684 . 1 1 76 76 ASN HD22 H 1 6.65 0.01 . 2 . . . . . . . . 7226 1 685 . 1 1 77 77 ILE N N 15 126.2 0.5 . 1 . . . . . . . . 7226 1 686 . 1 1 77 77 ILE H H 1 9.28 0.01 . 1 . . . . . . . . 7226 1 687 . 1 1 77 77 ILE CA C 13 60.1 0.5 . 1 . . . . . . . . 7226 1 688 . 1 1 77 77 ILE HA H 1 4.50 0.01 . 1 . . . . . . . . 7226 1 689 . 1 1 77 77 ILE CB C 13 40.4 0.5 . 1 . . . . . . . . 7226 1 690 . 1 1 77 77 ILE HB H 1 1.77 0.01 . 1 . . . . . . . . 7226 1 691 . 1 1 77 77 ILE HG21 H 1 0.78 0.01 . 1 . . . . . . . . 7226 1 692 . 1 1 77 77 ILE HG22 H 1 0.78 0.01 . 1 . . . . . . . . 7226 1 693 . 1 1 77 77 ILE HG23 H 1 0.78 0.01 . 1 . . . . . . . . 7226 1 694 . 1 1 77 77 ILE CG2 C 13 18.5 0.5 . 1 . . . . . . . . 7226 1 695 . 1 1 77 77 ILE CG1 C 13 27.4 0.5 . 1 . . . . . . . . 7226 1 696 . 1 1 77 77 ILE HG12 H 1 1.52 0.01 . 2 . . . . . . . . 7226 1 697 . 1 1 77 77 ILE HG13 H 1 1.55 0.01 . 2 . . . . . . . . 7226 1 698 . 1 1 77 77 ILE HD11 H 1 0.71 0.01 . 1 . . . . . . . . 7226 1 699 . 1 1 77 77 ILE HD12 H 1 0.71 0.01 . 1 . . . . . . . . 7226 1 700 . 1 1 77 77 ILE HD13 H 1 0.71 0.01 . 1 . . . . . . . . 7226 1 701 . 1 1 77 77 ILE CD1 C 13 15.5 0.5 . 1 . . . . . . . . 7226 1 702 . 1 1 78 78 THR N N 15 124.5 0.5 . 1 . . . . . . . . 7226 1 703 . 1 1 78 78 THR H H 1 8.87 0.01 . 1 . . . . . . . . 7226 1 704 . 1 1 78 78 THR CA C 13 63.6 0.5 . 1 . . . . . . . . 7226 1 705 . 1 1 78 78 THR HA H 1 4.48 0.01 . 1 . . . . . . . . 7226 1 706 . 1 1 78 78 THR CB C 13 68.4 0.5 . 1 . . . . . . . . 7226 1 707 . 1 1 78 78 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 7226 1 708 . 1 1 78 78 THR HG21 H 1 1.05 0.01 . 1 . . . . . . . . 7226 1 709 . 1 1 78 78 THR HG22 H 1 1.05 0.01 . 1 . . . . . . . . 7226 1 710 . 1 1 78 78 THR HG23 H 1 1.05 0.01 . 1 . . . . . . . . 7226 1 711 . 1 1 78 78 THR CG2 C 13 21.7 0.5 . 1 . . . . . . . . 7226 1 712 . 1 1 79 79 THR N N 15 118.4 0.5 . 1 . . . . . . . . 7226 1 713 . 1 1 79 79 THR H H 1 8.21 0.01 . 1 . . . . . . . . 7226 1 714 . 1 1 79 79 THR CA C 13 59.2 0.5 . 1 . . . . . . . . 7226 1 715 . 1 1 79 79 THR HA H 1 5.91 0.01 . 1 . . . . . . . . 7226 1 716 . 1 1 79 79 THR CB C 13 73.0 0.5 . 1 . . . . . . . . 7226 1 717 . 1 1 79 79 THR HB H 1 4.38 0.01 . 1 . . . . . . . . 7226 1 718 . 1 1 79 79 THR HG21 H 1 1.14 0.01 . 1 . . . . . . . . 7226 1 719 . 1 1 79 79 THR HG22 H 1 1.14 0.01 . 1 . . . . . . . . 7226 1 720 . 1 1 79 79 THR HG23 H 1 1.14 0.01 . 1 . . . . . . . . 7226 1 721 . 1 1 79 79 THR HG1 H 1 5.36 0.01 . 1 . . . . . . . . 7226 1 722 . 1 1 79 79 THR CG2 C 13 21.7 0.5 . 1 . . . . . . . . 7226 1 723 . 1 1 80 80 ASP N N 15 120.6 0.5 . 1 . . . . . . . . 7226 1 724 . 1 1 80 80 ASP H H 1 9.56 0.01 . 1 . . . . . . . . 7226 1 725 . 1 1 80 80 ASP CA C 13 55.5 0.5 . 1 . . . . . . . . 7226 1 726 . 1 1 80 80 ASP HA H 1 4.25 0.01 . 1 . . . . . . . . 7226 1 727 . 1 1 80 80 ASP CB C 13 39.2 0.5 . 1 . . . . . . . . 7226 1 728 . 1 1 80 80 ASP HB2 H 1 2.63 0.01 . 2 . . . . . . . . 7226 1 729 . 1 1 80 80 ASP HB3 H 1 2.67 0.01 . 2 . . . . . . . . 7226 1 730 . 1 1 81 81 GLN N N 15 117.0 0.5 . 1 . . . . . . . . 7226 1 731 . 1 1 81 81 GLN H H 1 8.04 0.01 . 1 . . . . . . . . 7226 1 732 . 1 1 81 81 GLN CA C 13 53.9 0.5 . 1 . . . . . . . . 7226 1 733 . 1 1 81 81 GLN HA H 1 4.45 0.01 . 1 . . . . . . . . 7226 1 734 . 1 1 81 81 GLN CB C 13 28.8 0.5 . 1 . . . . . . . . 7226 1 735 . 1 1 81 81 GLN HB2 H 1 1.46 0.01 . 2 . . . . . . . . 7226 1 736 . 1 1 81 81 GLN HB3 H 1 2.43 0.01 . 2 . . . . . . . . 7226 1 737 . 1 1 81 81 GLN CG C 13 33.2 0.5 . 1 . . . . . . . . 7226 1 738 . 1 1 81 81 GLN HG2 H 1 2.19 0.01 . 1 . . . . . . . . 7226 1 739 . 1 1 81 81 GLN HG3 H 1 2.19 0.01 . 1 . . . . . . . . 7226 1 740 . 1 1 81 81 GLN NE2 N 15 113.9 0.5 . 1 . . . . . . . . 7226 1 741 . 1 1 81 81 GLN HE21 H 1 7.52 0.01 . 2 . . . . . . . . 7226 1 742 . 1 1 81 81 GLN HE22 H 1 6.68 0.01 . 2 . . . . . . . . 7226 1 743 . 1 1 82 82 GLY N N 15 107.2 0.5 . 1 . . . . . . . . 7226 1 744 . 1 1 82 82 GLY H H 1 7.26 0.01 . 1 . . . . . . . . 7226 1 745 . 1 1 82 82 GLY CA C 13 43.5 0.5 . 1 . . . . . . . . 7226 1 746 . 1 1 82 82 GLY HA2 H 1 4.35 0.01 . 2 . . . . . . . . 7226 1 747 . 1 1 82 82 GLY HA3 H 1 3.65 0.01 . 2 . . . . . . . . 7226 1 748 . 1 1 83 83 THR N N 15 119.0 0.5 . 1 . . . . . . . . 7226 1 749 . 1 1 83 83 THR H H 1 8.46 0.01 . 1 . . . . . . . . 7226 1 750 . 1 1 83 83 THR CA C 13 62.0 0.5 . 1 . . . . . . . . 7226 1 751 . 1 1 83 83 THR HA H 1 5.04 0.01 . 1 . . . . . . . . 7226 1 752 . 1 1 83 83 THR CB C 13 69.7 0.5 . 1 . . . . . . . . 7226 1 753 . 1 1 83 83 THR HB H 1 3.69 0.01 . 1 . . . . . . . . 7226 1 754 . 1 1 83 83 THR HG21 H 1 0.83 0.01 . 1 . . . . . . . . 7226 1 755 . 1 1 83 83 THR HG22 H 1 0.83 0.01 . 1 . . . . . . . . 7226 1 756 . 1 1 83 83 THR HG23 H 1 0.83 0.01 . 1 . . . . . . . . 7226 1 757 . 1 1 83 83 THR CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 758 . 1 1 84 84 PHE N N 15 124.6 0.5 . 1 . . . . . . . . 7226 1 759 . 1 1 84 84 PHE H H 1 9.02 0.01 . 1 . . . . . . . . 7226 1 760 . 1 1 84 84 PHE CA C 13 56.1 0.5 . 1 . . . . . . . . 7226 1 761 . 1 1 84 84 PHE HA H 1 4.61 0.01 . 1 . . . . . . . . 7226 1 762 . 1 1 84 84 PHE CB C 13 43.4 0.5 . 1 . . . . . . . . 7226 1 763 . 1 1 84 84 PHE HB2 H 1 2.27 0.01 . 2 . . . . . . . . 7226 1 764 . 1 1 84 84 PHE HB3 H 1 2.79 0.01 . 2 . . . . . . . . 7226 1 765 . 1 1 84 84 PHE HD1 H 1 6.95 0.01 . 1 . . . . . . . . 7226 1 766 . 1 1 84 84 PHE HD2 H 1 6.95 0.01 . 1 . . . . . . . . 7226 1 767 . 1 1 84 84 PHE HE1 H 1 7.09 0.01 . 1 . . . . . . . . 7226 1 768 . 1 1 84 84 PHE HE2 H 1 7.09 0.01 . 1 . . . . . . . . 7226 1 769 . 1 1 84 84 PHE CD1 C 13 131.1 0.5 . 1 . . . . . . . . 7226 1 770 . 1 1 84 84 PHE CE1 C 13 130.2 0.5 . 1 . . . . . . . . 7226 1 771 . 1 1 84 84 PHE CZ C 13 128.7 0.5 . 1 . . . . . . . . 7226 1 772 . 1 1 84 84 PHE HZ H 1 7.07 0.01 . 1 . . . . . . . . 7226 1 773 . 1 1 85 85 HIS N N 15 119.6 0.5 . 1 . . . . . . . . 7226 1 774 . 1 1 85 85 HIS H H 1 8.58 0.01 . 1 . . . . . . . . 7226 1 775 . 1 1 85 85 HIS CA C 13 54.6 0.5 . 1 . . . . . . . . 7226 1 776 . 1 1 85 85 HIS HA H 1 5.64 0.01 . 1 . . . . . . . . 7226 1 777 . 1 1 85 85 HIS CB C 13 31.9 0.5 . 1 . . . . . . . . 7226 1 778 . 1 1 85 85 HIS HB2 H 1 2.75 0.01 . 2 . . . . . . . . 7226 1 779 . 1 1 85 85 HIS HB3 H 1 2.79 0.01 . 2 . . . . . . . . 7226 1 780 . 1 1 86 86 LEU N N 15 120.5 0.5 . 1 . . . . . . . . 7226 1 781 . 1 1 86 86 LEU H H 1 8.29 0.01 . 1 . . . . . . . . 7226 1 782 . 1 1 86 86 LEU CA C 13 53.9 0.5 . 1 . . . . . . . . 7226 1 783 . 1 1 86 86 LEU HA H 1 4.56 0.01 . 1 . . . . . . . . 7226 1 784 . 1 1 86 86 LEU CB C 13 45.6 0.5 . 1 . . . . . . . . 7226 1 785 . 1 1 86 86 LEU HB2 H 1 1.23 0.01 . 2 . . . . . . . . 7226 1 786 . 1 1 86 86 LEU HB3 H 1 1.58 0.01 . 2 . . . . . . . . 7226 1 787 . 1 1 86 86 LEU CG C 13 26.2 0.5 . 1 . . . . . . . . 7226 1 788 . 1 1 86 86 LEU HG H 1 1.37 0.01 . 1 . . . . . . . . 7226 1 789 . 1 1 86 86 LEU HD11 H 1 0.59 0.01 . 2 . . . . . . . . 7226 1 790 . 1 1 86 86 LEU HD12 H 1 0.59 0.01 . 2 . . . . . . . . 7226 1 791 . 1 1 86 86 LEU HD13 H 1 0.59 0.01 . 2 . . . . . . . . 7226 1 792 . 1 1 86 86 LEU HD21 H 1 0.55 0.01 . 2 . . . . . . . . 7226 1 793 . 1 1 86 86 LEU HD22 H 1 0.55 0.01 . 2 . . . . . . . . 7226 1 794 . 1 1 86 86 LEU HD23 H 1 0.55 0.01 . 2 . . . . . . . . 7226 1 795 . 1 1 86 86 LEU CD1 C 13 25.2 0.5 . 1 . . . . . . . . 7226 1 796 . 1 1 86 86 LEU CD2 C 13 26.3 0.5 . 1 . . . . . . . . 7226 1 797 . 1 1 87 87 LYS N N 15 126.6 0.5 . 1 . . . . . . . . 7226 1 798 . 1 1 87 87 LYS H H 1 8.75 0.01 . 1 . . . . . . . . 7226 1 799 . 1 1 87 87 LYS CA C 13 55.0 0.5 . 1 . . . . . . . . 7226 1 800 . 1 1 87 87 LYS HA H 1 4.66 0.01 . 1 . . . . . . . . 7226 1 801 . 1 1 87 87 LYS CB C 13 32.8 0.5 . 1 . . . . . . . . 7226 1 802 . 1 1 87 87 LYS HB2 H 1 1.53 0.01 . 2 . . . . . . . . 7226 1 803 . 1 1 87 87 LYS HB3 H 1 1.82 0.01 . 2 . . . . . . . . 7226 1 804 . 1 1 87 87 LYS CG C 13 24.8 0.5 . 1 . . . . . . . . 7226 1 805 . 1 1 87 87 LYS HG2 H 1 1.08 0.01 . 2 . . . . . . . . 7226 1 806 . 1 1 87 87 LYS HG3 H 1 1.26 0.01 . 2 . . . . . . . . 7226 1 807 . 1 1 87 87 LYS CD C 13 29.3 0.5 . 1 . . . . . . . . 7226 1 808 . 1 1 87 87 LYS HD2 H 1 1.58 0.01 . 1 . . . . . . . . 7226 1 809 . 1 1 87 87 LYS HD3 H 1 1.58 0.01 . 1 . . . . . . . . 7226 1 810 . 1 1 87 87 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 7226 1 811 . 1 1 87 87 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 7226 1 812 . 1 1 87 87 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 7226 1 813 . 1 1 88 88 THR N N 15 117.8 0.5 . 1 . . . . . . . . 7226 1 814 . 1 1 88 88 THR H H 1 8.35 0.01 . 1 . . . . . . . . 7226 1 815 . 1 1 88 88 THR CA C 13 62.3 0.5 . 1 . . . . . . . . 7226 1 816 . 1 1 88 88 THR HA H 1 3.91 0.01 . 1 . . . . . . . . 7226 1 817 . 1 1 88 88 THR CB C 13 70.3 0.5 . 1 . . . . . . . . 7226 1 818 . 1 1 88 88 THR HB H 1 4.34 0.01 . 1 . . . . . . . . 7226 1 819 . 1 1 88 88 THR HG21 H 1 1.14 0.01 . 1 . . . . . . . . 7226 1 820 . 1 1 88 88 THR HG22 H 1 1.14 0.01 . 1 . . . . . . . . 7226 1 821 . 1 1 88 88 THR HG23 H 1 1.14 0.01 . 1 . . . . . . . . 7226 1 822 . 1 1 88 88 THR HG1 H 1 4.60 0.01 . 1 . . . . . . . . 7226 1 823 . 1 1 88 88 THR CG2 C 13 22.9 0.5 . 1 . . . . . . . . 7226 1 824 . 1 1 89 89 GLY N N 15 107.2 0.5 . 1 . . . . . . . . 7226 1 825 . 1 1 89 89 GLY H H 1 8.60 0.01 . 1 . . . . . . . . 7226 1 826 . 1 1 89 89 GLY CA C 13 43.1 0.5 . 1 . . . . . . . . 7226 1 827 . 1 1 89 89 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 7226 1 828 . 1 1 89 89 GLY HA3 H 1 4.65 0.01 . 2 . . . . . . . . 7226 1 829 . 1 1 90 90 ARG N N 15 120.5 0.5 . 1 . . . . . . . . 7226 1 830 . 1 1 90 90 ARG H H 1 8.52 0.01 . 1 . . . . . . . . 7226 1 831 . 1 1 90 90 ARG CA C 13 54.3 0.5 . 1 . . . . . . . . 7226 1 832 . 1 1 90 90 ARG HA H 1 4.54 0.01 . 1 . . . . . . . . 7226 1 833 . 1 1 90 90 ARG CB C 13 31.6 0.5 . 1 . . . . . . . . 7226 1 834 . 1 1 90 90 ARG HB2 H 1 1.57 0.01 . 1 . . . . . . . . 7226 1 835 . 1 1 90 90 ARG HB3 H 1 1.57 0.01 . 1 . . . . . . . . 7226 1 836 . 1 1 90 90 ARG CG C 13 27.0 0.5 . 1 . . . . . . . . 7226 1 837 . 1 1 90 90 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 7226 1 838 . 1 1 90 90 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 7226 1 839 . 1 1 90 90 ARG CD C 13 43.1 0.5 . 1 . . . . . . . . 7226 1 840 . 1 1 90 90 ARG HD2 H 1 3.03 0.01 . 2 . . . . . . . . 7226 1 841 . 1 1 90 90 ARG HD3 H 1 3.15 0.01 . 2 . . . . . . . . 7226 1 842 . 1 1 91 91 ASN CA C 13 51.4 0.5 . 1 . . . . . . . . 7226 1 843 . 1 1 91 91 ASN HA H 1 3.75 0.01 . 1 . . . . . . . . 7226 1 844 . 1 1 92 92 PRO CD C 13 49.7 0.5 . 1 . . . . . . . . 7226 1 845 . 1 1 92 92 PRO CA C 13 64.1 0.5 . 1 . . . . . . . . 7226 1 846 . 1 1 92 92 PRO HA H 1 4.05 0.01 . 1 . . . . . . . . 7226 1 847 . 1 1 92 92 PRO CB C 13 32.0 0.5 . 1 . . . . . . . . 7226 1 848 . 1 1 92 92 PRO HB2 H 1 1.66 0.01 . 2 . . . . . . . . 7226 1 849 . 1 1 92 92 PRO HB3 H 1 2.11 0.01 . 2 . . . . . . . . 7226 1 850 . 1 1 92 92 PRO CG C 13 26.6 0.5 . 1 . . . . . . . . 7226 1 851 . 1 1 92 92 PRO HG2 H 1 1.62 0.01 . 1 . . . . . . . . 7226 1 852 . 1 1 92 92 PRO HG3 H 1 1.62 0.01 . 1 . . . . . . . . 7226 1 853 . 1 1 92 92 PRO HD2 H 1 2.68 0.01 . 2 . . . . . . . . 7226 1 854 . 1 1 92 92 PRO HD3 H 1 2.74 0.01 . 2 . . . . . . . . 7226 1 855 . 1 1 93 93 ASN N N 15 113.5 0.5 . 1 . . . . . . . . 7226 1 856 . 1 1 93 93 ASN H H 1 8.39 0.01 . 1 . . . . . . . . 7226 1 857 . 1 1 93 93 ASN CA C 13 52.5 0.5 . 1 . . . . . . . . 7226 1 858 . 1 1 93 93 ASN HA H 1 4.65 0.01 . 1 . . . . . . . . 7226 1 859 . 1 1 93 93 ASN CB C 13 39.1 0.5 . 1 . . . . . . . . 7226 1 860 . 1 1 93 93 ASN HB2 H 1 2.62 0.01 . 2 . . . . . . . . 7226 1 861 . 1 1 93 93 ASN HB3 H 1 2.71 0.01 . 2 . . . . . . . . 7226 1 862 . 1 1 93 93 ASN ND2 N 15 112.8 0.5 . 1 . . . . . . . . 7226 1 863 . 1 1 93 93 ASN HD21 H 1 7.51 0.01 . 2 . . . . . . . . 7226 1 864 . 1 1 93 93 ASN HD22 H 1 6.84 0.01 . 2 . . . . . . . . 7226 1 865 . 1 1 94 94 ASN N N 15 115.4 0.5 . 1 . . . . . . . . 7226 1 866 . 1 1 94 94 ASN H H 1 7.58 0.01 . 1 . . . . . . . . 7226 1 867 . 1 1 94 94 ASN CA C 13 53.3 0.5 . 1 . . . . . . . . 7226 1 868 . 1 1 94 94 ASN HA H 1 4.48 0.01 . 1 . . . . . . . . 7226 1 869 . 1 1 94 94 ASN CB C 13 37.7 0.5 . 1 . . . . . . . . 7226 1 870 . 1 1 94 94 ASN HB2 H 1 2.64 0.01 . 2 . . . . . . . . 7226 1 871 . 1 1 94 94 ASN HB3 H 1 2.75 0.01 . 2 . . . . . . . . 7226 1 872 . 1 1 94 94 ASN ND2 N 15 111.9 0.5 . 1 . . . . . . . . 7226 1 873 . 1 1 94 94 ASN HD21 H 1 6.86 0.01 . 2 . . . . . . . . 7226 1 874 . 1 1 94 94 ASN HD22 H 1 7.57 0.01 . 2 . . . . . . . . 7226 1 875 . 1 1 96 96 SER CA C 13 58.5 0.5 . 1 . . . . . . . . 7226 1 876 . 1 1 96 96 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 7226 1 877 . 1 1 96 96 SER CB C 13 63.7 0.5 . 1 . . . . . . . . 7226 1 878 . 1 1 96 96 SER HB2 H 1 3.85 0.01 . 2 . . . . . . . . 7226 1 879 . 1 1 96 96 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 7226 1 880 . 1 1 97 97 ARG N N 15 122.0 0.5 . 1 . . . . . . . . 7226 1 881 . 1 1 97 97 ARG H H 1 7.77 0.01 . 1 . . . . . . . . 7226 1 882 . 1 1 97 97 ARG CA C 13 54.2 0.5 . 1 . . . . . . . . 7226 1 883 . 1 1 97 97 ARG HA H 1 4.46 0.01 . 1 . . . . . . . . 7226 1 884 . 1 1 97 97 ARG CB C 13 31.8 0.5 . 1 . . . . . . . . 7226 1 885 . 1 1 97 97 ARG HB2 H 1 1.65 0.01 . 2 . . . . . . . . 7226 1 886 . 1 1 97 97 ARG HB3 H 1 1.82 0.01 . 2 . . . . . . . . 7226 1 887 . 1 1 97 97 ARG CG C 13 26.5 0.5 . 1 . . . . . . . . 7226 1 888 . 1 1 97 97 ARG HG2 H 1 1.58 0.01 . 2 . . . . . . . . 7226 1 889 . 1 1 97 97 ARG HG3 H 1 1.61 0.01 . 2 . . . . . . . . 7226 1 890 . 1 1 97 97 ARG CD C 13 43.1 0.5 . 1 . . . . . . . . 7226 1 891 . 1 1 97 97 ARG HD2 H 1 3.14 0.01 . 1 . . . . . . . . 7226 1 892 . 1 1 97 97 ARG HD3 H 1 3.14 0.01 . 1 . . . . . . . . 7226 1 893 . 1 1 98 98 ALA N N 15 126.3 0.5 . 1 . . . . . . . . 7226 1 894 . 1 1 98 98 ALA H H 1 8.84 0.01 . 1 . . . . . . . . 7226 1 895 . 1 1 98 98 ALA CA C 13 52.4 0.5 . 1 . . . . . . . . 7226 1 896 . 1 1 98 98 ALA HA H 1 4.33 0.01 . 1 . . . . . . . . 7226 1 897 . 1 1 98 98 ALA HB1 H 1 1.12 0.01 . 1 . . . . . . . . 7226 1 898 . 1 1 98 98 ALA HB2 H 1 1.12 0.01 . 1 . . . . . . . . 7226 1 899 . 1 1 98 98 ALA HB3 H 1 1.12 0.01 . 1 . . . . . . . . 7226 1 900 . 1 1 98 98 ALA CB C 13 18.8 0.5 . 1 . . . . . . . . 7226 1 901 . 1 1 99 99 TYR N N 15 121.1 0.5 . 1 . . . . . . . . 7226 1 902 . 1 1 99 99 TYR H H 1 8.13 0.01 . 1 . . . . . . . . 7226 1 903 . 1 1 99 99 TYR CA C 13 56.3 0.5 . 1 . . . . . . . . 7226 1 904 . 1 1 99 99 TYR HA H 1 4.77 0.01 . 1 . . . . . . . . 7226 1 905 . 1 1 99 99 TYR CB C 13 42.6 0.5 . 1 . . . . . . . . 7226 1 906 . 1 1 99 99 TYR HB2 H 1 2.24 0.01 . 2 . . . . . . . . 7226 1 907 . 1 1 99 99 TYR HB3 H 1 2.64 0.01 . 2 . . . . . . . . 7226 1 908 . 1 1 99 99 TYR HD1 H 1 7.01 0.01 . 1 . . . . . . . . 7226 1 909 . 1 1 99 99 TYR HD2 H 1 7.01 0.01 . 1 . . . . . . . . 7226 1 910 . 1 1 99 99 TYR HE1 H 1 6.71 0.01 . 1 . . . . . . . . 7226 1 911 . 1 1 99 99 TYR HE2 H 1 6.71 0.01 . 1 . . . . . . . . 7226 1 912 . 1 1 99 99 TYR CD1 C 13 132.9 0.5 . 1 . . . . . . . . 7226 1 913 . 1 1 99 99 TYR CE1 C 13 117.4 0.5 . 1 . . . . . . . . 7226 1 914 . 1 1 100 100 MET HE1 H 1 1.86 0.01 . 1 . . . . . . . . 7226 1 915 . 1 1 100 100 MET HE2 H 1 1.86 0.01 . 1 . . . . . . . . 7226 1 916 . 1 1 100 100 MET HE3 H 1 1.86 0.01 . 1 . . . . . . . . 7226 1 917 . 1 1 100 100 MET CE C 13 17.6 0.5 . 1 . . . . . . . . 7226 1 918 . 1 1 102 102 ILE CA C 13 58.2 0.5 . 1 . . . . . . . . 7226 1 919 . 1 1 102 102 ILE HA H 1 5.04 0.01 . 1 . . . . . . . . 7226 1 920 . 1 1 102 102 ILE CB C 13 41.8 0.5 . 1 . . . . . . . . 7226 1 921 . 1 1 102 102 ILE HB H 1 1.60 0.01 . 1 . . . . . . . . 7226 1 922 . 1 1 102 102 ILE HG21 H 1 0.52 0.01 . 1 . . . . . . . . 7226 1 923 . 1 1 102 102 ILE HG22 H 1 0.52 0.01 . 1 . . . . . . . . 7226 1 924 . 1 1 102 102 ILE HG23 H 1 0.52 0.01 . 1 . . . . . . . . 7226 1 925 . 1 1 102 102 ILE CG2 C 13 19.4 0.5 . 1 . . . . . . . . 7226 1 926 . 1 1 102 102 ILE CG1 C 13 25.1 0.5 . 1 . . . . . . . . 7226 1 927 . 1 1 102 102 ILE HG12 H 1 0.70 0.01 . 2 . . . . . . . . 7226 1 928 . 1 1 102 102 ILE HG13 H 1 1.27 0.01 . 2 . . . . . . . . 7226 1 929 . 1 1 102 102 ILE HD11 H 1 0.53 0.01 . 1 . . . . . . . . 7226 1 930 . 1 1 102 102 ILE HD12 H 1 0.53 0.01 . 1 . . . . . . . . 7226 1 931 . 1 1 102 102 ILE HD13 H 1 0.53 0.01 . 1 . . . . . . . . 7226 1 932 . 1 1 102 102 ILE CD1 C 13 13.6 0.5 . 1 . . . . . . . . 7226 1 933 . 1 1 103 103 ARG N N 15 122.9 0.5 . 1 . . . . . . . . 7226 1 934 . 1 1 103 103 ARG H H 1 8.11 0.01 . 1 . . . . . . . . 7226 1 935 . 1 1 103 103 ARG CA C 13 54.9 0.5 . 1 . . . . . . . . 7226 1 936 . 1 1 103 103 ARG HA H 1 4.76 0.01 . 1 . . . . . . . . 7226 1 937 . 1 1 103 103 ARG CB C 13 30.7 0.5 . 1 . . . . . . . . 7226 1 938 . 1 1 103 103 ARG HB2 H 1 1.68 0.01 . 2 . . . . . . . . 7226 1 939 . 1 1 103 103 ARG HB3 H 1 1.79 0.01 . 2 . . . . . . . . 7226 1 940 . 1 1 103 103 ARG CG C 13 27.3 0.5 . 1 . . . . . . . . 7226 1 941 . 1 1 103 103 ARG HG2 H 1 1.39 0.01 . 2 . . . . . . . . 7226 1 942 . 1 1 103 103 ARG HG3 H 1 1.44 0.01 . 2 . . . . . . . . 7226 1 943 . 1 1 103 103 ARG CD C 13 42.7 0.5 . 1 . . . . . . . . 7226 1 944 . 1 1 103 103 ARG HD2 H 1 3.01 0.01 . 1 . . . . . . . . 7226 1 945 . 1 1 103 103 ARG HD3 H 1 3.01 0.01 . 1 . . . . . . . . 7226 1 946 . 1 1 104 104 THR N N 15 113.3 0.5 . 1 . . . . . . . . 7226 1 947 . 1 1 104 104 THR H H 1 8.21 0.01 . 1 . . . . . . . . 7226 1 948 . 1 1 104 104 THR CA C 13 58.6 0.5 . 1 . . . . . . . . 7226 1 949 . 1 1 104 104 THR HA H 1 5.40 0.01 . 1 . . . . . . . . 7226 1 950 . 1 1 104 104 THR CB C 13 72.7 0.5 . 1 . . . . . . . . 7226 1 951 . 1 1 104 104 THR HB H 1 3.51 0.01 . 1 . . . . . . . . 7226 1 952 . 1 1 104 104 THR HG21 H 1 0.49 0.01 . 1 . . . . . . . . 7226 1 953 . 1 1 104 104 THR HG22 H 1 0.49 0.01 . 1 . . . . . . . . 7226 1 954 . 1 1 104 104 THR HG23 H 1 0.49 0.01 . 1 . . . . . . . . 7226 1 955 . 1 1 104 104 THR CG2 C 13 21.8 0.5 . 1 . . . . . . . . 7226 1 956 . 1 1 105 105 SER N N 15 111.3 0.5 . 1 . . . . . . . . 7226 1 957 . 1 1 105 105 SER H H 1 8.29 0.01 . 1 . . . . . . . . 7226 1 958 . 1 1 105 105 SER CA C 13 56.9 0.5 . 1 . . . . . . . . 7226 1 959 . 1 1 105 105 SER HA H 1 4.51 0.01 . 1 . . . . . . . . 7226 1 960 . 1 1 105 105 SER CB C 13 64.9 0.5 . 1 . . . . . . . . 7226 1 961 . 1 1 105 105 SER HB2 H 1 3.71 0.01 . 2 . . . . . . . . 7226 1 962 . 1 1 105 105 SER HB3 H 1 3.96 0.01 . 2 . . . . . . . . 7226 1 963 . 1 1 106 106 ASN N N 15 119.0 0.5 . 1 . . . . . . . . 7226 1 964 . 1 1 106 106 ASN H H 1 8.85 0.01 . 1 . . . . . . . . 7226 1 965 . 1 1 106 106 ASN CA C 13 54.9 0.5 . 1 . . . . . . . . 7226 1 966 . 1 1 106 106 ASN HA H 1 4.61 0.01 . 1 . . . . . . . . 7226 1 967 . 1 1 106 106 ASN CB C 13 38.3 0.5 . 1 . . . . . . . . 7226 1 968 . 1 1 106 106 ASN HB2 H 1 2.49 0.01 . 2 . . . . . . . . 7226 1 969 . 1 1 106 106 ASN HB3 H 1 2.61 0.01 . 2 . . . . . . . . 7226 1 970 . 1 1 106 106 ASN ND2 N 15 111.7 0.5 . 1 . . . . . . . . 7226 1 971 . 1 1 106 106 ASN HD21 H 1 7.50 0.01 . 2 . . . . . . . . 7226 1 972 . 1 1 106 106 ASN HD22 H 1 7.00 0.01 . 2 . . . . . . . . 7226 1 973 . 1 1 107 107 HIS N N 15 122.6 0.5 . 1 . . . . . . . . 7226 1 974 . 1 1 107 107 HIS H H 1 8.79 0.01 . 1 . . . . . . . . 7226 1 975 . 1 1 107 107 HIS CA C 13 55.9 0.5 . 1 . . . . . . . . 7226 1 976 . 1 1 107 107 HIS HA H 1 4.60 0.01 . 1 . . . . . . . . 7226 1 977 . 1 1 107 107 HIS CB C 13 30.2 0.5 . 1 . . . . . . . . 7226 1 978 . 1 1 107 107 HIS HB2 H 1 2.84 0.01 . 2 . . . . . . . . 7226 1 979 . 1 1 107 107 HIS HB3 H 1 2.47 0.01 . 2 . . . . . . . . 7226 1 980 . 1 1 107 107 HIS HD2 H 1 7.29 0.01 . 1 . . . . . . . . 7226 1 981 . 1 1 108 108 LEU N N 15 127.2 0.5 . 1 . . . . . . . . 7226 1 982 . 1 1 108 108 LEU H H 1 7.85 0.01 . 1 . . . . . . . . 7226 1 983 . 1 1 108 108 LEU CA C 13 53.4 0.5 . 1 . . . . . . . . 7226 1 984 . 1 1 108 108 LEU HA H 1 4.53 0.01 . 1 . . . . . . . . 7226 1 985 . 1 1 108 108 LEU CB C 13 43.6 0.5 . 1 . . . . . . . . 7226 1 986 . 1 1 108 108 LEU HB2 H 1 1.32 0.01 . 2 . . . . . . . . 7226 1 987 . 1 1 108 108 LEU HB3 H 1 1.08 0.01 . 2 . . . . . . . . 7226 1 988 . 1 1 108 108 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 7226 1 989 . 1 1 108 108 LEU HG H 1 1.33 0.01 . 1 . . . . . . . . 7226 1 990 . 1 1 108 108 LEU HD11 H 1 0.69 0.01 . 2 . . . . . . . . 7226 1 991 . 1 1 108 108 LEU HD12 H 1 0.69 0.01 . 2 . . . . . . . . 7226 1 992 . 1 1 108 108 LEU HD13 H 1 0.69 0.01 . 2 . . . . . . . . 7226 1 993 . 1 1 108 108 LEU HD21 H 1 0.56 0.01 . 2 . . . . . . . . 7226 1 994 . 1 1 108 108 LEU HD22 H 1 0.56 0.01 . 2 . . . . . . . . 7226 1 995 . 1 1 108 108 LEU HD23 H 1 0.56 0.01 . 2 . . . . . . . . 7226 1 996 . 1 1 108 108 LEU CD1 C 13 25.1 0.5 . 1 . . . . . . . . 7226 1 997 . 1 1 108 108 LEU CD2 C 13 23.4 0.5 . 1 . . . . . . . . 7226 1 998 . 1 1 109 109 ARG N N 15 120.4 0.5 . 1 . . . . . . . . 7226 1 999 . 1 1 109 109 ARG H H 1 8.38 0.01 . 1 . . . . . . . . 7226 1 1000 . 1 1 109 109 ARG CA C 13 54.9 0.5 . 1 . . . . . . . . 7226 1 1001 . 1 1 109 109 ARG HA H 1 4.25 0.01 . 1 . . . . . . . . 7226 1 1002 . 1 1 109 109 ARG CB C 13 31.9 0.5 . 1 . . . . . . . . 7226 1 1003 . 1 1 109 109 ARG HB2 H 1 1.69 0.01 . 1 . . . . . . . . 7226 1 1004 . 1 1 109 109 ARG HB3 H 1 1.69 0.01 . 1 . . . . . . . . 7226 1 1005 . 1 1 109 109 ARG CG C 13 26.7 0.5 . 1 . . . . . . . . 7226 1 1006 . 1 1 109 109 ARG HG2 H 1 1.46 0.01 . 1 . . . . . . . . 7226 1 1007 . 1 1 109 109 ARG HG3 H 1 1.46 0.01 . 1 . . . . . . . . 7226 1 1008 . 1 1 109 109 ARG CD C 13 43.1 0.5 . 1 . . . . . . . . 7226 1 1009 . 1 1 109 109 ARG HD2 H 1 3.12 0.01 . 1 . . . . . . . . 7226 1 1010 . 1 1 109 109 ARG HD3 H 1 3.12 0.01 . 1 . . . . . . . . 7226 1 1011 . 1 1 110 110 VAL N N 15 122.7 0.5 . 1 . . . . . . . . 7226 1 1012 . 1 1 110 110 VAL H H 1 8.31 0.01 . 1 . . . . . . . . 7226 1 1013 . 1 1 110 110 VAL CA C 13 62.2 0.5 . 1 . . . . . . . . 7226 1 1014 . 1 1 110 110 VAL HA H 1 4.06 0.01 . 1 . . . . . . . . 7226 1 1015 . 1 1 110 110 VAL CB C 13 32.4 0.5 . 1 . . . . . . . . 7226 1 1016 . 1 1 110 110 VAL HB H 1 1.89 0.01 . 1 . . . . . . . . 7226 1 1017 . 1 1 110 110 VAL HG11 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 1018 . 1 1 110 110 VAL HG12 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 1019 . 1 1 110 110 VAL HG13 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 1020 . 1 1 110 110 VAL HG21 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1021 . 1 1 110 110 VAL HG22 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1022 . 1 1 110 110 VAL HG23 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1023 . 1 1 110 110 VAL CG1 C 13 20.7 0.5 . 1 . . . . . . . . 7226 1 1024 . 1 1 110 110 VAL CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 1025 . 1 1 111 111 ARG N N 15 126.0 0.5 . 1 . . . . . . . . 7226 1 1026 . 1 1 111 111 ARG H H 1 8.47 0.01 . 1 . . . . . . . . 7226 1 1027 . 1 1 111 111 ARG CA C 13 55.8 0.5 . 1 . . . . . . . . 7226 1 1028 . 1 1 111 111 ARG HA H 1 4.20 0.01 . 1 . . . . . . . . 7226 1 1029 . 1 1 111 111 ARG CB C 13 31.1 0.5 . 1 . . . . . . . . 7226 1 1030 . 1 1 111 111 ARG HB2 H 1 1.58 0.01 . 2 . . . . . . . . 7226 1 1031 . 1 1 111 111 ARG HB3 H 1 1.70 0.01 . 2 . . . . . . . . 7226 1 1032 . 1 1 111 111 ARG CG C 13 26.9 0.5 . 1 . . . . . . . . 7226 1 1033 . 1 1 111 111 ARG HG2 H 1 1.48 0.01 . 1 . . . . . . . . 7226 1 1034 . 1 1 111 111 ARG HG3 H 1 1.48 0.01 . 1 . . . . . . . . 7226 1 1035 . 1 1 111 111 ARG CD C 13 43.1 0.5 . 1 . . . . . . . . 7226 1 1036 . 1 1 111 111 ARG HD2 H 1 3.03 0.01 . 1 . . . . . . . . 7226 1 1037 . 1 1 111 111 ARG HD3 H 1 3.03 0.01 . 1 . . . . . . . . 7226 1 1038 . 1 1 112 112 ASP N N 15 122.0 0.5 . 1 . . . . . . . . 7226 1 1039 . 1 1 112 112 ASP H H 1 8.37 0.01 . 1 . . . . . . . . 7226 1 1040 . 1 1 112 112 ASP CA C 13 54.3 0.5 . 1 . . . . . . . . 7226 1 1041 . 1 1 112 112 ASP HA H 1 4.50 0.01 . 1 . . . . . . . . 7226 1 1042 . 1 1 112 112 ASP CB C 13 41.0 0.5 . 1 . . . . . . . . 7226 1 1043 . 1 1 112 112 ASP HB2 H 1 2.50 0.01 . 2 . . . . . . . . 7226 1 1044 . 1 1 112 112 ASP HB3 H 1 2.59 0.01 . 2 . . . . . . . . 7226 1 1045 . 1 1 113 113 SER N N 15 121.1 0.5 . 1 . . . . . . . . 7226 1 1046 . 1 1 113 113 SER H H 1 8.55 0.01 . 1 . . . . . . . . 7226 1 1047 . 1 1 113 113 SER CA C 13 58.0 0.5 . 1 . . . . . . . . 7226 1 1048 . 1 1 113 113 SER HA H 1 4.33 0.01 . 1 . . . . . . . . 7226 1 1049 . 1 1 113 113 SER CB C 13 63.4 0.5 . 1 . . . . . . . . 7226 1 1050 . 1 1 113 113 SER HB2 H 1 3.77 0.01 . 1 . . . . . . . . 7226 1 1051 . 1 1 113 113 SER HB3 H 1 3.77 0.01 . 1 . . . . . . . . 7226 1 1052 . 1 1 114 114 VAL N N 15 121.5 0.5 . 1 . . . . . . . . 7226 1 1053 . 1 1 114 114 VAL H H 1 8.08 0.01 . 1 . . . . . . . . 7226 1 1054 . 1 1 114 114 VAL CA C 13 61.9 0.5 . 1 . . . . . . . . 7226 1 1055 . 1 1 114 114 VAL HA H 1 4.00 0.01 . 1 . . . . . . . . 7226 1 1056 . 1 1 114 114 VAL CB C 13 32.5 0.5 . 1 . . . . . . . . 7226 1 1057 . 1 1 114 114 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 7226 1 1058 . 1 1 114 114 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 7226 1 1059 . 1 1 114 114 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 7226 1 1060 . 1 1 114 114 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 7226 1 1061 . 1 1 114 114 VAL HG21 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1062 . 1 1 114 114 VAL HG22 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1063 . 1 1 114 114 VAL HG23 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1064 . 1 1 114 114 VAL CG1 C 13 20.3 0.5 . 1 . . . . . . . . 7226 1 1065 . 1 1 114 114 VAL CG2 C 13 20.6 0.5 . 1 . . . . . . . . 7226 1 1066 . 1 1 115 115 ALA N N 15 126.6 0.5 . 1 . . . . . . . . 7226 1 1067 . 1 1 115 115 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 7226 1 1068 . 1 1 115 115 ALA CA C 13 52.4 0.5 . 1 . . . . . . . . 7226 1 1069 . 1 1 115 115 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 7226 1 1070 . 1 1 115 115 ALA HB1 H 1 1.27 0.01 . 1 . . . . . . . . 7226 1 1071 . 1 1 115 115 ALA HB2 H 1 1.27 0.01 . 1 . . . . . . . . 7226 1 1072 . 1 1 115 115 ALA HB3 H 1 1.27 0.01 . 1 . . . . . . . . 7226 1 1073 . 1 1 115 115 ALA CB C 13 19.1 0.5 . 1 . . . . . . . . 7226 1 1074 . 1 1 116 116 SER N N 15 115.0 0.5 . 1 . . . . . . . . 7226 1 1075 . 1 1 116 116 SER H H 1 8.20 0.01 . 1 . . . . . . . . 7226 1 1076 . 1 1 116 116 SER CA C 13 57.9 0.5 . 1 . . . . . . . . 7226 1 1077 . 1 1 116 116 SER HA H 1 4.33 0.01 . 1 . . . . . . . . 7226 1 1078 . 1 1 116 116 SER CB C 13 63.4 0.5 . 1 . . . . . . . . 7226 1 1079 . 1 1 116 116 SER HB2 H 1 3.73 0.01 . 1 . . . . . . . . 7226 1 1080 . 1 1 116 116 SER HB3 H 1 3.73 0.01 . 1 . . . . . . . . 7226 1 1081 . 1 1 117 117 VAL N N 15 121.5 0.5 . 1 . . . . . . . . 7226 1 1082 . 1 1 117 117 VAL H H 1 8.11 0.01 . 1 . . . . . . . . 7226 1 1083 . 1 1 117 117 VAL CA C 13 61.8 0.5 . 1 . . . . . . . . 7226 1 1084 . 1 1 117 117 VAL HA H 1 4.05 0.01 . 1 . . . . . . . . 7226 1 1085 . 1 1 117 117 VAL CB C 13 32.5 0.5 . 1 . . . . . . . . 7226 1 1086 . 1 1 117 117 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 7226 1 1087 . 1 1 117 117 VAL HG11 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 1088 . 1 1 117 117 VAL HG12 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 1089 . 1 1 117 117 VAL HG13 H 1 0.82 0.01 . 2 . . . . . . . . 7226 1 1090 . 1 1 117 117 VAL HG21 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1091 . 1 1 117 117 VAL HG22 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1092 . 1 1 117 117 VAL HG23 H 1 0.81 0.01 . 2 . . . . . . . . 7226 1 1093 . 1 1 117 117 VAL CG1 C 13 20.3 0.5 . 1 . . . . . . . . 7226 1 1094 . 1 1 117 117 VAL CG2 C 13 20.8 0.5 . 1 . . . . . . . . 7226 1 1095 . 1 1 118 118 LEU N N 15 124.7 0.5 . 1 . . . . . . . . 7226 1 1096 . 1 1 118 118 LEU H H 1 8.23 0.01 . 1 . . . . . . . . 7226 1 1097 . 1 1 118 118 LEU CA C 13 55.0 0.5 . 1 . . . . . . . . 7226 1 1098 . 1 1 118 118 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 7226 1 1099 . 1 1 118 118 LEU CB C 13 41.8 0.5 . 1 . . . . . . . . 7226 1 1100 . 1 1 118 118 LEU HB2 H 1 1.47 0.01 . 2 . . . . . . . . 7226 1 1101 . 1 1 118 118 LEU HB3 H 1 1.55 0.01 . 2 . . . . . . . . 7226 1 1102 . 1 1 118 118 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 7226 1 1103 . 1 1 118 118 LEU HG H 1 1.50 0.01 . 1 . . . . . . . . 7226 1 1104 . 1 1 118 118 LEU HD11 H 1 0.79 0.01 . 2 . . . . . . . . 7226 1 1105 . 1 1 118 118 LEU HD12 H 1 0.79 0.01 . 2 . . . . . . . . 7226 1 1106 . 1 1 118 118 LEU HD13 H 1 0.79 0.01 . 2 . . . . . . . . 7226 1 1107 . 1 1 118 118 LEU HD21 H 1 0.75 0.01 . 2 . . . . . . . . 7226 1 1108 . 1 1 118 118 LEU HD22 H 1 0.75 0.01 . 2 . . . . . . . . 7226 1 1109 . 1 1 118 118 LEU HD23 H 1 0.75 0.01 . 2 . . . . . . . . 7226 1 1110 . 1 1 118 118 LEU CD1 C 13 24.7 0.5 . 1 . . . . . . . . 7226 1 1111 . 1 1 118 118 LEU CD2 C 13 23.0 0.5 . 1 . . . . . . . . 7226 1 1112 . 1 1 119 119 GLY N N 15 109.2 0.5 . 1 . . . . . . . . 7226 1 1113 . 1 1 119 119 GLY H H 1 8.24 0.01 . 1 . . . . . . . . 7226 1 1114 . 1 1 119 119 GLY CA C 13 45.0 0.5 . 1 . . . . . . . . 7226 1 1115 . 1 1 119 119 GLY HA2 H 1 3.84 0.01 . 1 . . . . . . . . 7226 1 1116 . 1 1 119 119 GLY HA3 H 1 3.84 0.01 . 1 . . . . . . . . 7226 1 1117 . 1 1 120 120 ASP N N 15 120.1 0.5 . 1 . . . . . . . . 7226 1 1118 . 1 1 120 120 ASP H H 1 8.17 0.01 . 1 . . . . . . . . 7226 1 1119 . 1 1 120 120 ASP CA C 13 53.9 0.5 . 1 . . . . . . . . 7226 1 1120 . 1 1 120 120 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . 7226 1 1121 . 1 1 120 120 ASP CB C 13 41.0 0.5 . 1 . . . . . . . . 7226 1 1122 . 1 1 120 120 ASP HB2 H 1 2.58 0.01 . 2 . . . . . . . . 7226 1 1123 . 1 1 120 120 ASP HB3 H 1 2.52 0.01 . 2 . . . . . . . . 7226 1 1124 . 1 1 121 121 THR N N 15 114.2 0.5 . 1 . . . . . . . . 7226 1 1125 . 1 1 121 121 THR H H 1 8.05 0.01 . 1 . . . . . . . . 7226 1 1126 . 1 1 121 121 THR CA C 13 61.3 0.5 . 1 . . . . . . . . 7226 1 1127 . 1 1 121 121 THR HA H 1 4.21 0.01 . 1 . . . . . . . . 7226 1 1128 . 1 1 121 121 THR CB C 13 69.7 0.5 . 1 . . . . . . . . 7226 1 1129 . 1 1 121 121 THR HB H 1 4.08 0.01 . 1 . . . . . . . . 7226 1 1130 . 1 1 121 121 THR HG21 H 1 1.09 0.01 . 1 . . . . . . . . 7226 1 1131 . 1 1 121 121 THR HG22 H 1 1.09 0.01 . 1 . . . . . . . . 7226 1 1132 . 1 1 121 121 THR HG23 H 1 1.09 0.01 . 1 . . . . . . . . 7226 1 1133 . 1 1 121 121 THR CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7226 1 1134 . 1 1 122 122 LEU N N 15 126.1 0.5 . 1 . . . . . . . . 7226 1 1135 . 1 1 122 122 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 7226 1 1136 . 1 1 122 122 LEU CA C 13 52.9 0.5 . 1 . . . . . . . . 7226 1 1137 . 1 1 122 122 LEU HA H 1 4.49 0.01 . 1 . . . . . . . . 7226 1 1138 . 1 1 122 122 LEU CB C 13 41.4 0.5 . 1 . . . . . . . . 7226 1 1139 . 1 1 122 122 LEU HB2 H 1 1.41 0.01 . 2 . . . . . . . . 7226 1 1140 . 1 1 122 122 LEU HB3 H 1 1.52 0.01 . 2 . . . . . . . . 7226 1 1141 . 1 1 122 122 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 7226 1 1142 . 1 1 122 122 LEU HG H 1 1.55 0.01 . 1 . . . . . . . . 7226 1 1143 . 1 1 122 122 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 7226 1 1144 . 1 1 122 122 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 7226 1 1145 . 1 1 122 122 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 7226 1 1146 . 1 1 122 122 LEU HD21 H 1 0.80 0.01 . 2 . . . . . . . . 7226 1 1147 . 1 1 122 122 LEU HD22 H 1 0.80 0.01 . 2 . . . . . . . . 7226 1 1148 . 1 1 122 122 LEU HD23 H 1 0.80 0.01 . 2 . . . . . . . . 7226 1 1149 . 1 1 122 122 LEU CD1 C 13 25.6 0.5 . 1 . . . . . . . . 7226 1 1150 . 1 1 122 122 LEU CD2 C 13 23.0 0.5 . 1 . . . . . . . . 7226 1 1151 . 1 1 123 123 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 7226 1 1152 . 1 1 123 123 PRO CA C 13 62.6 0.5 . 1 . . . . . . . . 7226 1 1153 . 1 1 123 123 PRO HA H 1 4.26 0.01 . 1 . . . . . . . . 7226 1 1154 . 1 1 123 123 PRO CB C 13 31.6 0.5 . 1 . . . . . . . . 7226 1 1155 . 1 1 123 123 PRO HB2 H 1 1.67 0.01 . 2 . . . . . . . . 7226 1 1156 . 1 1 123 123 PRO HB3 H 1 2.10 0.01 . 2 . . . . . . . . 7226 1 1157 . 1 1 123 123 PRO CG C 13 27.0 0.5 . 1 . . . . . . . . 7226 1 1158 . 1 1 123 123 PRO HG2 H 1 1.86 0.01 . 1 . . . . . . . . 7226 1 1159 . 1 1 123 123 PRO HG3 H 1 1.86 0.01 . 1 . . . . . . . . 7226 1 1160 . 1 1 123 123 PRO HD2 H 1 3.48 0.01 . 2 . . . . . . . . 7226 1 1161 . 1 1 123 123 PRO HD3 H 1 3.70 0.01 . 2 . . . . . . . . 7226 1 1162 . 1 1 124 124 PHE N N 15 120.3 0.5 . 1 . . . . . . . . 7226 1 1163 . 1 1 124 124 PHE H H 1 8.21 0.01 . 1 . . . . . . . . 7226 1 1164 . 1 1 124 124 PHE CA C 13 57.4 0.5 . 1 . . . . . . . . 7226 1 1165 . 1 1 124 124 PHE HA H 1 4.45 0.01 . 1 . . . . . . . . 7226 1 1166 . 1 1 124 124 PHE CB C 13 39.1 0.5 . 1 . . . . . . . . 7226 1 1167 . 1 1 124 124 PHE HB2 H 1 2.98 0.01 . 1 . . . . . . . . 7226 1 1168 . 1 1 124 124 PHE HB3 H 1 2.98 0.01 . 1 . . . . . . . . 7226 1 1169 . 1 1 124 124 PHE HD1 H 1 7.16 0.01 . 1 . . . . . . . . 7226 1 1170 . 1 1 124 124 PHE HD2 H 1 7.16 0.01 . 1 . . . . . . . . 7226 1 1171 . 1 1 124 124 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 7226 1 1172 . 1 1 124 124 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 7226 1 1173 . 1 1 124 124 PHE CD1 C 13 131.2 0.5 . 1 . . . . . . . . 7226 1 1174 . 1 1 124 124 PHE CE1 C 13 129.1 0.5 . 1 . . . . . . . . 7226 1 1175 . 1 1 124 124 PHE CZ C 13 129.0 0.5 . 1 . . . . . . . . 7226 1 1176 . 1 1 124 124 PHE HZ H 1 7.12 0.01 . 1 . . . . . . . . 7226 1 1177 . 1 1 125 125 ALA N N 15 126.2 0.5 . 1 . . . . . . . . 7226 1 1178 . 1 1 125 125 ALA H H 1 8.18 0.01 . 1 . . . . . . . . 7226 1 1179 . 1 1 125 125 ALA CA C 13 52.1 0.5 . 1 . . . . . . . . 7226 1 1180 . 1 1 125 125 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 7226 1 1181 . 1 1 125 125 ALA HB1 H 1 1.24 0.01 . 1 . . . . . . . . 7226 1 1182 . 1 1 125 125 ALA HB2 H 1 1.24 0.01 . 1 . . . . . . . . 7226 1 1183 . 1 1 125 125 ALA HB3 H 1 1.24 0.01 . 1 . . . . . . . . 7226 1 1184 . 1 1 125 125 ALA CB C 13 19.0 0.5 . 1 . . . . . . . . 7226 1 stop_ save_