data_34451 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34451 _Entry.Title ; Solution structure of MacpD, a acyl carrier protein, from Pseudomonas fluorescens involved in Mupirocin biosynthesis. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-15 _Entry.Accession_date 2019-11-15 _Entry.Last_release_date 2020-02-10 _Entry.Original_release_date 2020-02-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34451 stop_ 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.ORCID _Entry_author.Entry_ID 1 C. Williams C. . . . 34451 2 M. Crump M. P. . . 34451 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Acyl Starter units' . 34451 'BIOSYNTHETIC PROTEIN' . 34451 Biosynthesis . 34451 Mupirocin . 34451 'Pseudomonas fluorescens' . 34451 Thiomarinol . 34451 'acyl carrier protein' . 34451 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34451 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 34451 '15N chemical shifts' 110 34451 '1H chemical shifts' 746 34451 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 . . 2020-02-13 . original BMRB . 34451 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TG5 . 34451 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34451 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31977176 _Citation.DOI 10.1021/acschembio.9b00969 _Citation.Full_citation . _Citation.Title ; A Priming Cassette Generates Hydroxylated Acyl Starter Units in Mupirocin and Thiomarinol Biosynthesis. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acs Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1554-8937 _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 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Walker P. D. . . 34451 1 2 M. Rowe M. T. . . 34451 1 3 A. Winter A. J. . . 34451 1 4 A. Weir A. N.M. . . 34451 1 5 N. Akter N. . . . 34451 1 6 L. Wang L. . . . 34451 1 7 P. Race P. R. . . 34451 1 8 C. Williams C. . . . 34451 1 9 Z. Song Z. . . . 34451 1 10 T. Simpson T. J. . . 34451 1 11 C. Willis C. L. . . 34451 1 12 M. Crump M. P. . . 34451 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34451 _Assembly.ID 1 _Assembly.Name MacpD _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34451 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34451 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHGKPIPNPLLGLDS TENLYFQGIDPFTLNHQVMD QVFDQVEHQIAQVLGAKGGP LVAVEIDSRFSDLGLSSLDL ATLISNLEAVYGTDPFADAV AITSIVTVADLARAYAQQGV PGPSPDPLDAQLRDLRQL ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14936.705 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Residues 1-33 are vector derived Cysteine 80 has been mutated to a alanine for structural studies' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -31 MET . 34451 1 2 -30 HIS . 34451 1 3 -29 HIS . 34451 1 4 -28 HIS . 34451 1 5 -27 HIS . 34451 1 6 -26 HIS . 34451 1 7 -25 HIS . 34451 1 8 -24 GLY . 34451 1 9 -23 LYS . 34451 1 10 -22 PRO . 34451 1 11 -21 ILE . 34451 1 12 -20 PRO . 34451 1 13 -19 ASN . 34451 1 14 -18 PRO . 34451 1 15 -17 LEU . 34451 1 16 -16 LEU . 34451 1 17 -15 GLY . 34451 1 18 -14 LEU . 34451 1 19 -13 ASP . 34451 1 20 -12 SER . 34451 1 21 -11 THR . 34451 1 22 -10 GLU . 34451 1 23 -9 ASN . 34451 1 24 -8 LEU . 34451 1 25 -7 TYR . 34451 1 26 -6 PHE . 34451 1 27 -5 GLN . 34451 1 28 -4 GLY . 34451 1 29 -3 ILE . 34451 1 30 -2 ASP . 34451 1 31 -1 PRO . 34451 1 32 0 PHE . 34451 1 33 1 THR . 34451 1 34 2 LEU . 34451 1 35 3 ASN . 34451 1 36 4 HIS . 34451 1 37 5 GLN . 34451 1 38 6 VAL . 34451 1 39 7 MET . 34451 1 40 8 ASP . 34451 1 41 9 GLN . 34451 1 42 10 VAL . 34451 1 43 11 PHE . 34451 1 44 12 ASP . 34451 1 45 13 GLN . 34451 1 46 14 VAL . 34451 1 47 15 GLU . 34451 1 48 16 HIS . 34451 1 49 17 GLN . 34451 1 50 18 ILE . 34451 1 51 19 ALA . 34451 1 52 20 GLN . 34451 1 53 21 VAL . 34451 1 54 22 LEU . 34451 1 55 23 GLY . 34451 1 56 24 ALA . 34451 1 57 25 LYS . 34451 1 58 26 GLY . 34451 1 59 27 GLY . 34451 1 60 28 PRO . 34451 1 61 29 LEU . 34451 1 62 30 VAL . 34451 1 63 31 ALA . 34451 1 64 32 VAL . 34451 1 65 33 GLU . 34451 1 66 34 ILE . 34451 1 67 35 ASP . 34451 1 68 36 SER . 34451 1 69 37 ARG . 34451 1 70 38 PHE . 34451 1 71 39 SER . 34451 1 72 40 ASP . 34451 1 73 41 LEU . 34451 1 74 42 GLY . 34451 1 75 43 LEU . 34451 1 76 44 SER . 34451 1 77 45 SER . 34451 1 78 46 LEU . 34451 1 79 47 ASP . 34451 1 80 48 LEU . 34451 1 81 49 ALA . 34451 1 82 50 THR . 34451 1 83 51 LEU . 34451 1 84 52 ILE . 34451 1 85 53 SER . 34451 1 86 54 ASN . 34451 1 87 55 LEU . 34451 1 88 56 GLU . 34451 1 89 57 ALA . 34451 1 90 58 VAL . 34451 1 91 59 TYR . 34451 1 92 60 GLY . 34451 1 93 61 THR . 34451 1 94 62 ASP . 34451 1 95 63 PRO . 34451 1 96 64 PHE . 34451 1 97 65 ALA . 34451 1 98 66 ASP . 34451 1 99 67 ALA . 34451 1 100 68 VAL . 34451 1 101 69 ALA . 34451 1 102 70 ILE . 34451 1 103 71 THR . 34451 1 104 72 SER . 34451 1 105 73 ILE . 34451 1 106 74 VAL . 34451 1 107 75 THR . 34451 1 108 76 VAL . 34451 1 109 77 ALA . 34451 1 110 78 ASP . 34451 1 111 79 LEU . 34451 1 112 80 ALA . 34451 1 113 81 ARG . 34451 1 114 82 ALA . 34451 1 115 83 TYR . 34451 1 116 84 ALA . 34451 1 117 85 GLN . 34451 1 118 86 GLN . 34451 1 119 87 GLY . 34451 1 120 88 VAL . 34451 1 121 89 PRO . 34451 1 122 90 GLY . 34451 1 123 91 PRO . 34451 1 124 92 SER . 34451 1 125 93 PRO . 34451 1 126 94 ASP . 34451 1 127 95 PRO . 34451 1 128 96 LEU . 34451 1 129 97 ASP . 34451 1 130 98 ALA . 34451 1 131 99 GLN . 34451 1 132 100 LEU . 34451 1 133 101 ARG . 34451 1 134 102 ASP . 34451 1 135 103 LEU . 34451 1 136 104 ARG . 34451 1 137 105 GLN . 34451 1 138 106 LEU . 34451 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 34451 1 . HIS 2 2 34451 1 . HIS 3 3 34451 1 . HIS 4 4 34451 1 . HIS 5 5 34451 1 . HIS 6 6 34451 1 . HIS 7 7 34451 1 . GLY 8 8 34451 1 . LYS 9 9 34451 1 . PRO 10 10 34451 1 . ILE 11 11 34451 1 . PRO 12 12 34451 1 . ASN 13 13 34451 1 . PRO 14 14 34451 1 . LEU 15 15 34451 1 . LEU 16 16 34451 1 . GLY 17 17 34451 1 . LEU 18 18 34451 1 . ASP 19 19 34451 1 . SER 20 20 34451 1 . THR 21 21 34451 1 . GLU 22 22 34451 1 . ASN 23 23 34451 1 . LEU 24 24 34451 1 . TYR 25 25 34451 1 . PHE 26 26 34451 1 . GLN 27 27 34451 1 . GLY 28 28 34451 1 . ILE 29 29 34451 1 . ASP 30 30 34451 1 . PRO 31 31 34451 1 . PHE 32 32 34451 1 . THR 33 33 34451 1 . LEU 34 34 34451 1 . ASN 35 35 34451 1 . HIS 36 36 34451 1 . GLN 37 37 34451 1 . VAL 38 38 34451 1 . MET 39 39 34451 1 . ASP 40 40 34451 1 . GLN 41 41 34451 1 . VAL 42 42 34451 1 . PHE 43 43 34451 1 . ASP 44 44 34451 1 . GLN 45 45 34451 1 . VAL 46 46 34451 1 . GLU 47 47 34451 1 . HIS 48 48 34451 1 . GLN 49 49 34451 1 . ILE 50 50 34451 1 . ALA 51 51 34451 1 . GLN 52 52 34451 1 . VAL 53 53 34451 1 . LEU 54 54 34451 1 . GLY 55 55 34451 1 . ALA 56 56 34451 1 . LYS 57 57 34451 1 . GLY 58 58 34451 1 . GLY 59 59 34451 1 . PRO 60 60 34451 1 . LEU 61 61 34451 1 . VAL 62 62 34451 1 . ALA 63 63 34451 1 . VAL 64 64 34451 1 . GLU 65 65 34451 1 . ILE 66 66 34451 1 . ASP 67 67 34451 1 . SER 68 68 34451 1 . ARG 69 69 34451 1 . PHE 70 70 34451 1 . SER 71 71 34451 1 . ASP 72 72 34451 1 . LEU 73 73 34451 1 . GLY 74 74 34451 1 . LEU 75 75 34451 1 . SER 76 76 34451 1 . SER 77 77 34451 1 . LEU 78 78 34451 1 . ASP 79 79 34451 1 . LEU 80 80 34451 1 . ALA 81 81 34451 1 . THR 82 82 34451 1 . LEU 83 83 34451 1 . ILE 84 84 34451 1 . SER 85 85 34451 1 . ASN 86 86 34451 1 . LEU 87 87 34451 1 . GLU 88 88 34451 1 . ALA 89 89 34451 1 . VAL 90 90 34451 1 . TYR 91 91 34451 1 . GLY 92 92 34451 1 . THR 93 93 34451 1 . ASP 94 94 34451 1 . PRO 95 95 34451 1 . PHE 96 96 34451 1 . ALA 97 97 34451 1 . ASP 98 98 34451 1 . ALA 99 99 34451 1 . VAL 100 100 34451 1 . ALA 101 101 34451 1 . ILE 102 102 34451 1 . THR 103 103 34451 1 . SER 104 104 34451 1 . ILE 105 105 34451 1 . VAL 106 106 34451 1 . THR 107 107 34451 1 . VAL 108 108 34451 1 . ALA 109 109 34451 1 . ASP 110 110 34451 1 . LEU 111 111 34451 1 . ALA 112 112 34451 1 . ARG 113 113 34451 1 . ALA 114 114 34451 1 . TYR 115 115 34451 1 . ALA 116 116 34451 1 . GLN 117 117 34451 1 . GLN 118 118 34451 1 . GLY 119 119 34451 1 . VAL 120 120 34451 1 . PRO 121 121 34451 1 . GLY 122 122 34451 1 . PRO 123 123 34451 1 . SER 124 124 34451 1 . PRO 125 125 34451 1 . ASP 126 126 34451 1 . PRO 127 127 34451 1 . LEU 128 128 34451 1 . ASP 129 129 34451 1 . ALA 130 130 34451 1 . GLN 131 131 34451 1 . LEU 132 132 34451 1 . ARG 133 133 34451 1 . ASP 134 134 34451 1 . LEU 135 135 34451 1 . ARG 136 136 34451 1 . GLN 137 137 34451 1 . LEU 138 138 34451 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 34451 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 294 organism . 'Pseudomonas fluorescens' 'Pseudomonas fluorescens' . . Bacteria . Pseudomonas fluorescens . . . . . . . . . . . macpD . 34451 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 34451 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . pET151/D-TOPO . . . 34451 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34451 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 15N] MacpD, acyl carrier protein, 0.1 mM sodium azide, 50 mM sodium phosphate, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MacpD, acyl carrier protein' '[U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 34451 1 2 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM 0.1 . . . 34451 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 0.2 . . . 34451 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34451 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] MacpD, acyl carrier protein, 50 mM sodium phosphate, 0.1 mM sodium azide, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MacpD, acyl carrier protein' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 34451 2 2 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM 0.1 . . . 34451 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 0.2 . . . 34451 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34451 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM MacpD, acyl carrier protein, 50 mM sodium phosphate, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MacpD, acyl carrier protein' 'natural abundance' . . 1 $entity_1 . . 1 . . mM 0.1 . . . 34451 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 0.2 . . . 34451 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34451 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 0.2 mM 34451 1 pH 6.7 0.1 pH 34451 1 pressure 1 . atm 34451 1 temperature 293 0.1 K 34451 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34451 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34451 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34451 1 . 'structure calculation' 34451 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34451 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34451 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34451 2 . 'peak picking' 34451 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34451 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34451 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34451 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34451 _Software.ID 4 _Software.Type . _Software.Name VNMR _Software.Version 4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID varian . . 34451 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34451 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34451 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34451 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34451 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34451 _Software.ID 6 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34451 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34451 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34451 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34451 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34451 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34451 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model vnmrs _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34451 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details '1.7mm micro-cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34451 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Agilent vnmrs . 600 . . . 34451 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 34451 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 34451 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34451 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34451 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34451 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 15 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34451 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34451 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 na indirect 0.251449530 . . . . . 34451 1 H 1 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 34451 1 N 15 DSS 'methyl carbons' . . . . ppm 0 na indirect 0.101329118 . . . . . 34451 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34451 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34451 1 2 '2D 1H-1H NOESY' . . . 34451 1 3 '3D HNCO' . . . 34451 1 4 '3D HNCA' . . . 34451 1 5 '3D C(CO)NH' . . . 34451 1 6 '3D 1H-13C NOESY' . . . 34451 1 7 '3D HCCH-TOCSY' . . . 34451 1 8 '3D HCCH-TOCSY' . . . 34451 1 9 '3D HNCACB' . . . 34451 1 10 '3D CBCA(CO)NH' . . . 34451 1 11 '3D 1H-15N NOESY' . . . 34451 1 12 '3D 1H-13C NOESY' . . . 34451 1 13 '3D 1H-15N NOESY' . . . 34451 1 14 '3D 1H-15N TOCSY' . . . 34451 1 15 '3D HN(CO)CA' . . . 34451 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 29 29 ILE HA H 1 4.146 0.006 . 1 . . . . A -3 ILE HA . 34451 1 2 . 1 . 1 29 29 ILE HB H 1 1.745 0.005 . 1 . . . . A -3 ILE HB . 34451 1 3 . 1 . 1 29 29 ILE HG12 H 1 1.396 0.019 . 2 . . . . A -3 ILE HG12 . 34451 1 4 . 1 . 1 29 29 ILE HG13 H 1 1.109 0.01 . 2 . . . . A -3 ILE HG13 . 34451 1 5 . 1 . 1 29 29 ILE HG21 H 1 0.841 0.012 . 1 . . . . A -3 ILE HG21 . 34451 1 6 . 1 . 1 29 29 ILE HG22 H 1 0.841 0.012 . 1 . . . . A -3 ILE HG22 . 34451 1 7 . 1 . 1 29 29 ILE HG23 H 1 0.841 0.012 . 1 . . . . A -3 ILE HG23 . 34451 1 8 . 1 . 1 29 29 ILE HD11 H 1 0.798 0.014 . 1 . . . . A -3 ILE HD11 . 34451 1 9 . 1 . 1 29 29 ILE HD12 H 1 0.798 0.014 . 1 . . . . A -3 ILE HD12 . 34451 1 10 . 1 . 1 29 29 ILE HD13 H 1 0.798 0.014 . 1 . . . . A -3 ILE HD13 . 34451 1 11 . 1 . 1 29 29 ILE C C 13 175.614 0 . 1 . . . . A -3 ILE C . 34451 1 12 . 1 . 1 29 29 ILE CA C 13 60.707 0.09 . 1 . . . . A -3 ILE CA . 34451 1 13 . 1 . 1 29 29 ILE CB C 13 38.764 0.088 . 1 . . . . A -3 ILE CB . 34451 1 14 . 1 . 1 29 29 ILE CG1 C 13 26.959 0.113 . 1 . . . . A -3 ILE CG1 . 34451 1 15 . 1 . 1 29 29 ILE CG2 C 13 17.358 0.018 . 1 . . . . A -3 ILE CG2 . 34451 1 16 . 1 . 1 29 29 ILE CD1 C 13 12.804 0.023 . 1 . . . . A -3 ILE CD1 . 34451 1 17 . 1 . 1 30 30 ASP H H 1 8.477 0.008 . 1 . . . . A -2 ASP H . 34451 1 18 . 1 . 1 30 30 ASP HA H 1 4.832 0.002 . 1 . . . . A -2 ASP HA . 34451 1 19 . 1 . 1 30 30 ASP HB2 H 1 2.581 0.001 . 2 . . . . A -2 ASP HB2 . 34451 1 20 . 1 . 1 30 30 ASP HB3 H 1 2.742 0.003 . 2 . . . . A -2 ASP HB3 . 34451 1 21 . 1 . 1 30 30 ASP C C 13 174.991 0 . 1 . . . . A -2 ASP C . 34451 1 22 . 1 . 1 30 30 ASP CA C 13 52.062 0 . 1 . . . . A -2 ASP CA . 34451 1 23 . 1 . 1 30 30 ASP CB C 13 41.331 0 . 1 . . . . A -2 ASP CB . 34451 1 24 . 1 . 1 30 30 ASP N N 15 126.601 0.134 . 1 . . . . A -2 ASP N . 34451 1 25 . 1 . 1 31 31 PRO HA H 1 4.247 0.007 . 1 . . . . A -1 PRO HA . 34451 1 26 . 1 . 1 31 31 PRO HB2 H 1 2.135 0.006 . 2 . . . . A -1 PRO HB2 . 34451 1 27 . 1 . 1 31 31 PRO HB3 H 1 1.639 0.005 . 2 . . . . A -1 PRO HB3 . 34451 1 28 . 1 . 1 31 31 PRO HG2 H 1 1.711 0 . 2 . . . . A -1 PRO HG2 . 34451 1 29 . 1 . 1 31 31 PRO HG3 H 1 1.868 0 . 2 . . . . A -1 PRO HG3 . 34451 1 30 . 1 . 1 31 31 PRO HD2 H 1 3.789 0 . 1 . . . . A -1 PRO HD2 . 34451 1 31 . 1 . 1 31 31 PRO HD3 H 1 3.789 0 . 1 . . . . A -1 PRO HD3 . 34451 1 32 . 1 . 1 31 31 PRO C C 13 177.166 0 . 1 . . . . A -1 PRO C . 34451 1 33 . 1 . 1 31 31 PRO CA C 13 63.56 0.1 . 1 . . . . A -1 PRO CA . 34451 1 34 . 1 . 1 31 31 PRO CB C 13 31.88 0.077 . 1 . . . . A -1 PRO CB . 34451 1 35 . 1 . 1 31 31 PRO CG C 13 26.99 0 . 1 . . . . A -1 PRO CG . 34451 1 36 . 1 . 1 31 31 PRO CD C 13 50.682 0 . 1 . . . . A -1 PRO CD . 34451 1 37 . 1 . 1 32 32 PHE H H 1 8.25 0.012 . 1 . . . . A 0 PHE H . 34451 1 38 . 1 . 1 32 32 PHE HA H 1 4.531 0.015 . 1 . . . . A 0 PHE HA . 34451 1 39 . 1 . 1 32 32 PHE HB2 H 1 3.152 0.003 . 2 . . . . A 0 PHE HB2 . 34451 1 40 . 1 . 1 32 32 PHE HB3 H 1 3.072 0.007 . 2 . . . . A 0 PHE HB3 . 34451 1 41 . 1 . 1 32 32 PHE HD1 H 1 7.255 0.007 . 1 . . . . A 0 PHE HD1 . 34451 1 42 . 1 . 1 32 32 PHE HD2 H 1 7.255 0.007 . 1 . . . . A 0 PHE HD2 . 34451 1 43 . 1 . 1 32 32 PHE HE1 H 1 7.252 0 . 1 . . . . A 0 PHE HE1 . 34451 1 44 . 1 . 1 32 32 PHE HE2 H 1 7.252 0 . 1 . . . . A 0 PHE HE2 . 34451 1 45 . 1 . 1 32 32 PHE C C 13 176.448 0.004 . 1 . . . . A 0 PHE C . 34451 1 46 . 1 . 1 32 32 PHE CA C 13 58.45 0.14 . 1 . . . . A 0 PHE CA . 34451 1 47 . 1 . 1 32 32 PHE CB C 13 38.609 0.121 . 1 . . . . A 0 PHE CB . 34451 1 48 . 1 . 1 32 32 PHE N N 15 118.527 0.099 . 1 . . . . A 0 PHE N . 34451 1 49 . 1 . 1 33 33 THR H H 1 7.834 0.003 . 1 . . . . A 1 THR H . 34451 1 50 . 1 . 1 33 33 THR HA H 1 4.189 0.003 . 1 . . . . A 1 THR HA . 34451 1 51 . 1 . 1 33 33 THR HB H 1 4.164 0.001 . 1 . . . . A 1 THR HB . 34451 1 52 . 1 . 1 33 33 THR HG21 H 1 1.165 0.003 . 1 . . . . A 1 THR HG21 . 34451 1 53 . 1 . 1 33 33 THR HG22 H 1 1.165 0.003 . 1 . . . . A 1 THR HG22 . 34451 1 54 . 1 . 1 33 33 THR HG23 H 1 1.165 0.003 . 1 . . . . A 1 THR HG23 . 34451 1 55 . 1 . 1 33 33 THR C C 13 174.547 0.014 . 1 . . . . A 1 THR C . 34451 1 56 . 1 . 1 33 33 THR CA C 13 62.555 0.15 . 1 . . . . A 1 THR CA . 34451 1 57 . 1 . 1 33 33 THR CB C 13 69.483 0.1 . 1 . . . . A 1 THR CB . 34451 1 58 . 1 . 1 33 33 THR CG2 C 13 21.475 0.038 . 1 . . . . A 1 THR CG2 . 34451 1 59 . 1 . 1 33 33 THR N N 15 114.488 0.044 . 1 . . . . A 1 THR N . 34451 1 60 . 1 . 1 34 34 LEU H H 1 7.946 0.006 . 1 . . . . A 2 LEU H . 34451 1 61 . 1 . 1 34 34 LEU HA H 1 4.217 0.007 . 1 . . . . A 2 LEU HA . 34451 1 62 . 1 . 1 34 34 LEU HB2 H 1 1.539 0.005 . 2 . . . . A 2 LEU HB2 . 34451 1 63 . 1 . 1 34 34 LEU HB3 H 1 1.545 0 . 2 . . . . A 2 LEU HB3 . 34451 1 64 . 1 . 1 34 34 LEU HD11 H 1 0.808 0 . 2 . . . . A 2 LEU HD11 . 34451 1 65 . 1 . 1 34 34 LEU HD12 H 1 0.808 0 . 2 . . . . A 2 LEU HD12 . 34451 1 66 . 1 . 1 34 34 LEU HD13 H 1 0.808 0 . 2 . . . . A 2 LEU HD13 . 34451 1 67 . 1 . 1 34 34 LEU HD21 H 1 0.877 0 . 2 . . . . A 2 LEU HD21 . 34451 1 68 . 1 . 1 34 34 LEU HD22 H 1 0.877 0 . 2 . . . . A 2 LEU HD22 . 34451 1 69 . 1 . 1 34 34 LEU HD23 H 1 0.877 0 . 2 . . . . A 2 LEU HD23 . 34451 1 70 . 1 . 1 34 34 LEU C C 13 176.82 0.005 . 1 . . . . A 2 LEU C . 34451 1 71 . 1 . 1 34 34 LEU CA C 13 55.511 0.044 . 1 . . . . A 2 LEU CA . 34451 1 72 . 1 . 1 34 34 LEU CB C 13 42.317 0.068 . 1 . . . . A 2 LEU CB . 34451 1 73 . 1 . 1 34 34 LEU CD1 C 13 24.614 0.058 . 2 . . . . A 2 LEU CD1 . 34451 1 74 . 1 . 1 34 34 LEU CD2 C 13 23.733 0 . 2 . . . . A 2 LEU CD2 . 34451 1 75 . 1 . 1 34 34 LEU N N 15 123.489 0.047 . 1 . . . . A 2 LEU N . 34451 1 76 . 1 . 1 35 35 ASN H H 1 8.258 0.012 . 1 . . . . A 3 ASN H . 34451 1 77 . 1 . 1 35 35 ASN HA H 1 4.608 0.004 . 1 . . . . A 3 ASN HA . 34451 1 78 . 1 . 1 35 35 ASN HB2 H 1 2.781 0.002 . 2 . . . . A 3 ASN HB2 . 34451 1 79 . 1 . 1 35 35 ASN HB3 H 1 2.741 0.002 . 2 . . . . A 3 ASN HB3 . 34451 1 80 . 1 . 1 35 35 ASN HD21 H 1 6.94 0.003 . 1 . . . . A 3 ASN HD21 . 34451 1 81 . 1 . 1 35 35 ASN HD22 H 1 7.605 0.003 . 1 . . . . A 3 ASN HD22 . 34451 1 82 . 1 . 1 35 35 ASN C C 13 175.679 0 . 1 . . . . A 3 ASN C . 34451 1 83 . 1 . 1 35 35 ASN CA C 13 53.451 0 . 1 . . . . A 3 ASN CA . 34451 1 84 . 1 . 1 35 35 ASN CB C 13 38.485 0.127 . 1 . . . . A 3 ASN CB . 34451 1 85 . 1 . 1 35 35 ASN N N 15 119.061 0.084 . 1 . . . . A 3 ASN N . 34451 1 86 . 1 . 1 35 35 ASN ND2 N 15 112.613 0.021 . 1 . . . . A 3 ASN ND2 . 34451 1 87 . 1 . 1 36 36 HIS H H 1 8.282 0 . 1 . . . . A 4 HIS H . 34451 1 88 . 1 . 1 36 36 HIS HA H 1 4.396 0.005 . 1 . . . . A 4 HIS HA . 34451 1 89 . 1 . 1 36 36 HIS HB2 H 1 3.195 0.009 . 2 . . . . A 4 HIS HB2 . 34451 1 90 . 1 . 1 36 36 HIS HB3 H 1 3.13 0 . 2 . . . . A 4 HIS HB3 . 34451 1 91 . 1 . 1 36 36 HIS HD2 H 1 7.144 0.002 . 1 . . . . A 4 HIS HD2 . 34451 1 92 . 1 . 1 36 36 HIS C C 13 175.399 0 . 1 . . . . A 4 HIS C . 34451 1 93 . 1 . 1 36 36 HIS CA C 13 57.443 0.004 . 1 . . . . A 4 HIS CA . 34451 1 94 . 1 . 1 36 36 HIS CB C 13 28.998 0.037 . 1 . . . . A 4 HIS CB . 34451 1 95 . 1 . 1 36 36 HIS CD2 C 13 119.462 0 . 1 . . . . A 4 HIS CD2 . 34451 1 96 . 1 . 1 37 37 GLN H H 1 8.311 0.025 . 1 . . . . A 5 GLN H . 34451 1 97 . 1 . 1 37 37 GLN HA H 1 4.23 0.004 . 1 . . . . A 5 GLN HA . 34451 1 98 . 1 . 1 37 37 GLN HB2 H 1 2.252 0 . 2 . . . . A 5 GLN HB2 . 34451 1 99 . 1 . 1 37 37 GLN HB3 H 1 2.116 0 . 2 . . . . A 5 GLN HB3 . 34451 1 100 . 1 . 1 37 37 GLN HG2 H 1 2.323 0.001 . 1 . . . . A 5 GLN HG2 . 34451 1 101 . 1 . 1 37 37 GLN HG3 H 1 2.323 0.001 . 1 . . . . A 5 GLN HG3 . 34451 1 102 . 1 . 1 37 37 GLN HE21 H 1 7.511 0 . 1 . . . . A 5 GLN HE21 . 34451 1 103 . 1 . 1 37 37 GLN HE22 H 1 6.804 0 . 1 . . . . A 5 GLN HE22 . 34451 1 104 . 1 . 1 37 37 GLN C C 13 177.596 0.009 . 1 . . . . A 5 GLN C . 34451 1 105 . 1 . 1 37 37 GLN CA C 13 57.964 0.039 . 1 . . . . A 5 GLN CA . 34451 1 106 . 1 . 1 37 37 GLN CB C 13 28.727 0.037 . 1 . . . . A 5 GLN CB . 34451 1 107 . 1 . 1 37 37 GLN CG C 13 33.867 0.116 . 1 . . . . A 5 GLN CG . 34451 1 108 . 1 . 1 37 37 GLN N N 15 120.17 0.155 . 1 . . . . A 5 GLN N . 34451 1 109 . 1 . 1 38 38 VAL H H 1 7.944 0.003 . 1 . . . . A 6 VAL H . 34451 1 110 . 1 . 1 38 38 VAL HA H 1 3.927 0.003 . 1 . . . . A 6 VAL HA . 34451 1 111 . 1 . 1 38 38 VAL HB H 1 2.068 0 . 1 . . . . A 6 VAL HB . 34451 1 112 . 1 . 1 38 38 VAL HG11 H 1 0.98 0 . 2 . . . . A 6 VAL HG11 . 34451 1 113 . 1 . 1 38 38 VAL HG12 H 1 0.98 0 . 2 . . . . A 6 VAL HG12 . 34451 1 114 . 1 . 1 38 38 VAL HG13 H 1 0.98 0 . 2 . . . . A 6 VAL HG13 . 34451 1 115 . 1 . 1 38 38 VAL HG21 H 1 0.847 0 . 2 . . . . A 6 VAL HG21 . 34451 1 116 . 1 . 1 38 38 VAL HG22 H 1 0.847 0 . 2 . . . . A 6 VAL HG22 . 34451 1 117 . 1 . 1 38 38 VAL HG23 H 1 0.847 0 . 2 . . . . A 6 VAL HG23 . 34451 1 118 . 1 . 1 38 38 VAL CA C 13 64.701 0.03 . 1 . . . . A 6 VAL CA . 34451 1 119 . 1 . 1 38 38 VAL CB C 13 32.085 0.092 . 1 . . . . A 6 VAL CB . 34451 1 120 . 1 . 1 38 38 VAL CG1 C 13 21.559 0 . 2 . . . . A 6 VAL CG1 . 34451 1 121 . 1 . 1 38 38 VAL CG2 C 13 20.158 0 . 2 . . . . A 6 VAL CG2 . 34451 1 122 . 1 . 1 38 38 VAL N N 15 119.667 0.048 . 1 . . . . A 6 VAL N . 34451 1 123 . 1 . 1 39 39 MET H H 1 8.15 0.022 . 1 . . . . A 7 MET H . 34451 1 124 . 1 . 1 39 39 MET HA H 1 4.138 0.012 . 1 . . . . A 7 MET HA . 34451 1 125 . 1 . 1 39 39 MET HB2 H 1 1.97 0 . 2 . . . . A 7 MET HB2 . 34451 1 126 . 1 . 1 39 39 MET HB3 H 1 2.038 0 . 2 . . . . A 7 MET HB3 . 34451 1 127 . 1 . 1 39 39 MET HG2 H 1 2.456 0.006 . 1 . . . . A 7 MET HG2 . 34451 1 128 . 1 . 1 39 39 MET HG3 H 1 2.456 0.006 . 1 . . . . A 7 MET HG3 . 34451 1 129 . 1 . 1 39 39 MET HE1 H 1 1.916 0.001 . 1 . . . . A 7 MET HE1 . 34451 1 130 . 1 . 1 39 39 MET HE2 H 1 1.916 0.001 . 1 . . . . A 7 MET HE2 . 34451 1 131 . 1 . 1 39 39 MET HE3 H 1 1.916 0.001 . 1 . . . . A 7 MET HE3 . 34451 1 132 . 1 . 1 39 39 MET C C 13 177.455 0 . 1 . . . . A 7 MET C . 34451 1 133 . 1 . 1 39 39 MET CA C 13 57.548 0.054 . 1 . . . . A 7 MET CA . 34451 1 134 . 1 . 1 39 39 MET CB C 13 31.968 0 . 1 . . . . A 7 MET CB . 34451 1 135 . 1 . 1 39 39 MET CG C 13 32.105 0.125 . 1 . . . . A 7 MET CG . 34451 1 136 . 1 . 1 39 39 MET CE C 13 16.771 0.009 . 1 . . . . A 7 MET CE . 34451 1 137 . 1 . 1 39 39 MET N N 15 120.139 0.079 . 1 . . . . A 7 MET N . 34451 1 138 . 1 . 1 40 40 ASP H H 1 8.246 0.008 . 1 . . . . A 8 ASP H . 34451 1 139 . 1 . 1 40 40 ASP HA H 1 4.219 0 . 1 . . . . A 8 ASP HA . 34451 1 140 . 1 . 1 40 40 ASP HB2 H 1 2.761 0.009 . 2 . . . . A 8 ASP HB2 . 34451 1 141 . 1 . 1 40 40 ASP HB3 H 1 2.77 0 . 2 . . . . A 8 ASP HB3 . 34451 1 142 . 1 . 1 40 40 ASP C C 13 178.34 0.004 . 1 . . . . A 8 ASP C . 34451 1 143 . 1 . 1 40 40 ASP CA C 13 57.333 0.14 . 1 . . . . A 8 ASP CA . 34451 1 144 . 1 . 1 40 40 ASP CB C 13 40.196 0.101 . 1 . . . . A 8 ASP CB . 34451 1 145 . 1 . 1 40 40 ASP N N 15 119.197 0.087 . 1 . . . . A 8 ASP N . 34451 1 146 . 1 . 1 41 41 GLN H H 1 7.867 0.012 . 1 . . . . A 9 GLN H . 34451 1 147 . 1 . 1 41 41 GLN HA H 1 4.22 0.002 . 1 . . . . A 9 GLN HA . 34451 1 148 . 1 . 1 41 41 GLN HB2 H 1 2.254 0 . 1 . . . . A 9 GLN HB2 . 34451 1 149 . 1 . 1 41 41 GLN HB3 H 1 2.254 0 . 1 . . . . A 9 GLN HB3 . 34451 1 150 . 1 . 1 41 41 GLN HG2 H 1 2.558 0.005 . 2 . . . . A 9 GLN HG2 . 34451 1 151 . 1 . 1 41 41 GLN HG3 H 1 2.469 0.002 . 2 . . . . A 9 GLN HG3 . 34451 1 152 . 1 . 1 41 41 GLN HE21 H 1 7.507 0 . 1 . . . . A 9 GLN HE21 . 34451 1 153 . 1 . 1 41 41 GLN HE22 H 1 6.843 0.006 . 1 . . . . A 9 GLN HE22 . 34451 1 154 . 1 . 1 41 41 GLN C C 13 178.891 0 . 1 . . . . A 9 GLN C . 34451 1 155 . 1 . 1 41 41 GLN CA C 13 58.734 0.036 . 1 . . . . A 9 GLN CA . 34451 1 156 . 1 . 1 41 41 GLN CB C 13 28.471 0.075 . 1 . . . . A 9 GLN CB . 34451 1 157 . 1 . 1 41 41 GLN CG C 13 33.95 0.058 . 1 . . . . A 9 GLN CG . 34451 1 158 . 1 . 1 41 41 GLN N N 15 119.267 0.104 . 1 . . . . A 9 GLN N . 34451 1 159 . 1 . 1 41 41 GLN NE2 N 15 111.458 0.001 . 1 . . . . A 9 GLN NE2 . 34451 1 160 . 1 . 1 42 42 VAL H H 1 8.211 0.006 . 1 . . . . A 10 VAL H . 34451 1 161 . 1 . 1 42 42 VAL HA H 1 4.114 0.005 . 1 . . . . A 10 VAL HA . 34451 1 162 . 1 . 1 42 42 VAL HB H 1 2.083 0.001 . 1 . . . . A 10 VAL HB . 34451 1 163 . 1 . 1 42 42 VAL HG11 H 1 0.876 0.002 . 2 . . . . A 10 VAL HG11 . 34451 1 164 . 1 . 1 42 42 VAL HG12 H 1 0.876 0.002 . 2 . . . . A 10 VAL HG12 . 34451 1 165 . 1 . 1 42 42 VAL HG13 H 1 0.876 0.002 . 2 . . . . A 10 VAL HG13 . 34451 1 166 . 1 . 1 42 42 VAL HG21 H 1 0.995 0.007 . 2 . . . . A 10 VAL HG21 . 34451 1 167 . 1 . 1 42 42 VAL HG22 H 1 0.995 0.007 . 2 . . . . A 10 VAL HG22 . 34451 1 168 . 1 . 1 42 42 VAL HG23 H 1 0.995 0.007 . 2 . . . . A 10 VAL HG23 . 34451 1 169 . 1 . 1 42 42 VAL C C 13 178.575 0 . 1 . . . . A 10 VAL C . 34451 1 170 . 1 . 1 42 42 VAL CA C 13 65.278 0.136 . 1 . . . . A 10 VAL CA . 34451 1 171 . 1 . 1 42 42 VAL CB C 13 31.635 0.178 . 1 . . . . A 10 VAL CB . 34451 1 172 . 1 . 1 42 42 VAL CG1 C 13 21.772 0.014 . 2 . . . . A 10 VAL CG1 . 34451 1 173 . 1 . 1 42 42 VAL CG2 C 13 22.061 0 . 2 . . . . A 10 VAL CG2 . 34451 1 174 . 1 . 1 42 42 VAL N N 15 121.337 0.077 . 1 . . . . A 10 VAL N . 34451 1 175 . 1 . 1 43 43 PHE H H 1 8.844 0.004 . 1 . . . . A 11 PHE H . 34451 1 176 . 1 . 1 43 43 PHE HA H 1 3.944 0.008 . 1 . . . . A 11 PHE HA . 34451 1 177 . 1 . 1 43 43 PHE HB2 H 1 3.103 0.014 . 2 . . . . A 11 PHE HB2 . 34451 1 178 . 1 . 1 43 43 PHE HB3 H 1 3.2 0.013 . 2 . . . . A 11 PHE HB3 . 34451 1 179 . 1 . 1 43 43 PHE HD1 H 1 7.121 0.004 . 1 . . . . A 11 PHE HD1 . 34451 1 180 . 1 . 1 43 43 PHE HD2 H 1 7.121 0.004 . 1 . . . . A 11 PHE HD2 . 34451 1 181 . 1 . 1 43 43 PHE HE1 H 1 7.092 0 . 1 . . . . A 11 PHE HE1 . 34451 1 182 . 1 . 1 43 43 PHE HE2 H 1 7.092 0 . 1 . . . . A 11 PHE HE2 . 34451 1 183 . 1 . 1 43 43 PHE C C 13 176.642 0 . 1 . . . . A 11 PHE C . 34451 1 184 . 1 . 1 43 43 PHE CA C 13 62.357 0.012 . 1 . . . . A 11 PHE CA . 34451 1 185 . 1 . 1 43 43 PHE CB C 13 38.347 0.085 . 1 . . . . A 11 PHE CB . 34451 1 186 . 1 . 1 43 43 PHE N N 15 120.175 0.042 . 1 . . . . A 11 PHE N . 34451 1 187 . 1 . 1 44 44 ASP H H 1 7.912 0.002 . 1 . . . . A 12 ASP H . 34451 1 188 . 1 . 1 44 44 ASP HA H 1 4.248 0.008 . 1 . . . . A 12 ASP HA . 34451 1 189 . 1 . 1 44 44 ASP HB2 H 1 2.687 0.001 . 2 . . . . A 12 ASP HB2 . 34451 1 190 . 1 . 1 44 44 ASP HB3 H 1 2.818 0.001 . 2 . . . . A 12 ASP HB3 . 34451 1 191 . 1 . 1 44 44 ASP C C 13 179.019 0 . 1 . . . . A 12 ASP C . 34451 1 192 . 1 . 1 44 44 ASP CA C 13 57.574 0.103 . 1 . . . . A 12 ASP CA . 34451 1 193 . 1 . 1 44 44 ASP CB C 13 40.968 0.067 . 1 . . . . A 12 ASP CB . 34451 1 194 . 1 . 1 44 44 ASP N N 15 117.692 0.047 . 1 . . . . A 12 ASP N . 34451 1 195 . 1 . 1 45 45 GLN H H 1 7.762 0.014 . 1 . . . . A 13 GLN H . 34451 1 196 . 1 . 1 45 45 GLN HA H 1 4.104 0.003 . 1 . . . . A 13 GLN HA . 34451 1 197 . 1 . 1 45 45 GLN HB2 H 1 2.366 0.005 . 2 . . . . A 13 GLN HB2 . 34451 1 198 . 1 . 1 45 45 GLN HB3 H 1 2.358 0 . 2 . . . . A 13 GLN HB3 . 34451 1 199 . 1 . 1 45 45 GLN HG2 H 1 2.526 0.002 . 2 . . . . A 13 GLN HG2 . 34451 1 200 . 1 . 1 45 45 GLN HG3 H 1 2.186 0.001 . 2 . . . . A 13 GLN HG3 . 34451 1 201 . 1 . 1 45 45 GLN HE21 H 1 6.702 0.006 . 1 . . . . A 13 GLN HE21 . 34451 1 202 . 1 . 1 45 45 GLN HE22 H 1 7.386 0.004 . 1 . . . . A 13 GLN HE22 . 34451 1 203 . 1 . 1 45 45 GLN C C 13 178.84 0 . 1 . . . . A 13 GLN C . 34451 1 204 . 1 . 1 45 45 GLN CA C 13 58.566 0.128 . 1 . . . . A 13 GLN CA . 34451 1 205 . 1 . 1 45 45 GLN CB C 13 28.831 0.116 . 1 . . . . A 13 GLN CB . 34451 1 206 . 1 . 1 45 45 GLN CG C 13 34.041 0.073 . 1 . . . . A 13 GLN CG . 34451 1 207 . 1 . 1 45 45 GLN N N 15 119.755 0.083 . 1 . . . . A 13 GLN N . 34451 1 208 . 1 . 1 45 45 GLN NE2 N 15 109.861 0.013 . 1 . . . . A 13 GLN NE2 . 34451 1 209 . 1 . 1 46 46 VAL H H 1 8.955 0.007 . 1 . . . . A 14 VAL H . 34451 1 210 . 1 . 1 46 46 VAL HA H 1 3.449 0.006 . 1 . . . . A 14 VAL HA . 34451 1 211 . 1 . 1 46 46 VAL HB H 1 2.174 0.003 . 1 . . . . A 14 VAL HB . 34451 1 212 . 1 . 1 46 46 VAL HG11 H 1 1.012 0.009 . 2 . . . . A 14 VAL HG11 . 34451 1 213 . 1 . 1 46 46 VAL HG12 H 1 1.012 0.009 . 2 . . . . A 14 VAL HG12 . 34451 1 214 . 1 . 1 46 46 VAL HG13 H 1 1.012 0.009 . 2 . . . . A 14 VAL HG13 . 34451 1 215 . 1 . 1 46 46 VAL HG21 H 1 0.874 0 . 2 . . . . A 14 VAL HG21 . 34451 1 216 . 1 . 1 46 46 VAL HG22 H 1 0.874 0 . 2 . . . . A 14 VAL HG22 . 34451 1 217 . 1 . 1 46 46 VAL HG23 H 1 0.874 0 . 2 . . . . A 14 VAL HG23 . 34451 1 218 . 1 . 1 46 46 VAL C C 13 177.612 0 . 1 . . . . A 14 VAL C . 34451 1 219 . 1 . 1 46 46 VAL CA C 13 67.553 0.136 . 1 . . . . A 14 VAL CA . 34451 1 220 . 1 . 1 46 46 VAL CB C 13 31.403 0.116 . 1 . . . . A 14 VAL CB . 34451 1 221 . 1 . 1 46 46 VAL CG1 C 13 22.572 0.043 . 2 . . . . A 14 VAL CG1 . 34451 1 222 . 1 . 1 46 46 VAL CG2 C 13 22.51 0 . 2 . . . . A 14 VAL CG2 . 34451 1 223 . 1 . 1 46 46 VAL N N 15 120.669 0.048 . 1 . . . . A 14 VAL N . 34451 1 224 . 1 . 1 47 47 GLU H H 1 9.001 0.007 . 1 . . . . A 15 GLU H . 34451 1 225 . 1 . 1 47 47 GLU HA H 1 3.582 0.013 . 1 . . . . A 15 GLU HA . 34451 1 226 . 1 . 1 47 47 GLU HB2 H 1 1.922 0 . 2 . . . . A 15 GLU HB2 . 34451 1 227 . 1 . 1 47 47 GLU HB3 H 1 1.554 0.003 . 2 . . . . A 15 GLU HB3 . 34451 1 228 . 1 . 1 47 47 GLU HG2 H 1 2.202 0.001 . 2 . . . . A 15 GLU HG2 . 34451 1 229 . 1 . 1 47 47 GLU HG3 H 1 1.962 0.006 . 2 . . . . A 15 GLU HG3 . 34451 1 230 . 1 . 1 47 47 GLU C C 13 178.492 0 . 1 . . . . A 15 GLU C . 34451 1 231 . 1 . 1 47 47 GLU CA C 13 60.84 0.113 . 1 . . . . A 15 GLU CA . 34451 1 232 . 1 . 1 47 47 GLU CB C 13 28.146 0.095 . 1 . . . . A 15 GLU CB . 34451 1 233 . 1 . 1 47 47 GLU CG C 13 35.306 0.035 . 1 . . . . A 15 GLU CG . 34451 1 234 . 1 . 1 47 47 GLU N N 15 120.185 0.065 . 1 . . . . A 15 GLU N . 34451 1 235 . 1 . 1 48 48 HIS H H 1 7.928 0.013 . 1 . . . . A 16 HIS H . 34451 1 236 . 1 . 1 48 48 HIS HA H 1 4.304 0.004 . 1 . . . . A 16 HIS HA . 34451 1 237 . 1 . 1 48 48 HIS HB2 H 1 3.3 0.011 . 2 . . . . A 16 HIS HB2 . 34451 1 238 . 1 . 1 48 48 HIS HB3 H 1 3.296 0.01 . 2 . . . . A 16 HIS HB3 . 34451 1 239 . 1 . 1 48 48 HIS HD2 H 1 7.079 0 . 1 . . . . A 16 HIS HD2 . 34451 1 240 . 1 . 1 48 48 HIS C C 13 177.836 0 . 1 . . . . A 16 HIS C . 34451 1 241 . 1 . 1 48 48 HIS CA C 13 59.193 0.176 . 1 . . . . A 16 HIS CA . 34451 1 242 . 1 . 1 48 48 HIS CB C 13 28.398 0.077 . 1 . . . . A 16 HIS CB . 34451 1 243 . 1 . 1 48 48 HIS CD2 C 13 119.294 0 . 1 . . . . A 16 HIS CD2 . 34451 1 244 . 1 . 1 48 48 HIS N N 15 117.373 0.059 . 1 . . . . A 16 HIS N . 34451 1 245 . 1 . 1 49 49 GLN H H 1 8.322 0.02 . 1 . . . . A 17 GLN H . 34451 1 246 . 1 . 1 49 49 GLN HA H 1 3.947 0.011 . 1 . . . . A 17 GLN HA . 34451 1 247 . 1 . 1 49 49 GLN HB2 H 1 2.01 0.011 . 2 . . . . A 17 GLN HB2 . 34451 1 248 . 1 . 1 49 49 GLN HB3 H 1 2.188 0.018 . 2 . . . . A 17 GLN HB3 . 34451 1 249 . 1 . 1 49 49 GLN HG2 H 1 2.793 0.004 . 2 . . . . A 17 GLN HG2 . 34451 1 250 . 1 . 1 49 49 GLN HG3 H 1 2.112 0.001 . 2 . . . . A 17 GLN HG3 . 34451 1 251 . 1 . 1 49 49 GLN HE21 H 1 6.742 0.011 . 1 . . . . A 17 GLN HE21 . 34451 1 252 . 1 . 1 49 49 GLN HE22 H 1 7.671 0.007 . 1 . . . . A 17 GLN HE22 . 34451 1 253 . 1 . 1 49 49 GLN C C 13 179.061 0.005 . 1 . . . . A 17 GLN C . 34451 1 254 . 1 . 1 49 49 GLN CA C 13 58.32 0.062 . 1 . . . . A 17 GLN CA . 34451 1 255 . 1 . 1 49 49 GLN CB C 13 27.213 0.104 . 1 . . . . A 17 GLN CB . 34451 1 256 . 1 . 1 49 49 GLN CG C 13 32.597 0.107 . 1 . . . . A 17 GLN CG . 34451 1 257 . 1 . 1 49 49 GLN N N 15 118.256 0.05 . 1 . . . . A 17 GLN N . 34451 1 258 . 1 . 1 49 49 GLN NE2 N 15 110.77 0.128 . 1 . . . . A 17 GLN NE2 . 34451 1 259 . 1 . 1 50 50 ILE H H 1 8.747 0.008 . 1 . . . . A 18 ILE H . 34451 1 260 . 1 . 1 50 50 ILE HA H 1 3.455 0.012 . 1 . . . . A 18 ILE HA . 34451 1 261 . 1 . 1 50 50 ILE HB H 1 1.966 0.005 . 1 . . . . A 18 ILE HB . 34451 1 262 . 1 . 1 50 50 ILE HG12 H 1 2.072 0.002 . 1 . . . . A 18 ILE HG12 . 34451 1 263 . 1 . 1 50 50 ILE HG21 H 1 0.868 0.006 . 1 . . . . A 18 ILE HG21 . 34451 1 264 . 1 . 1 50 50 ILE HG22 H 1 0.868 0.006 . 1 . . . . A 18 ILE HG22 . 34451 1 265 . 1 . 1 50 50 ILE HG23 H 1 0.868 0.006 . 1 . . . . A 18 ILE HG23 . 34451 1 266 . 1 . 1 50 50 ILE HD11 H 1 0.833 0.012 . 1 . . . . A 18 ILE HD11 . 34451 1 267 . 1 . 1 50 50 ILE HD12 H 1 0.833 0.012 . 1 . . . . A 18 ILE HD12 . 34451 1 268 . 1 . 1 50 50 ILE HD13 H 1 0.833 0.012 . 1 . . . . A 18 ILE HD13 . 34451 1 269 . 1 . 1 50 50 ILE C C 13 176.952 0.003 . 1 . . . . A 18 ILE C . 34451 1 270 . 1 . 1 50 50 ILE CA C 13 66.733 0.11 . 1 . . . . A 18 ILE CA . 34451 1 271 . 1 . 1 50 50 ILE CB C 13 37.769 0.082 . 1 . . . . A 18 ILE CB . 34451 1 272 . 1 . 1 50 50 ILE CG1 C 13 30.854 0.11 . 1 . . . . A 18 ILE CG1 . 34451 1 273 . 1 . 1 50 50 ILE CG2 C 13 17.667 0.102 . 1 . . . . A 18 ILE CG2 . 34451 1 274 . 1 . 1 50 50 ILE CD1 C 13 15.868 0.106 . 1 . . . . A 18 ILE CD1 . 34451 1 275 . 1 . 1 50 50 ILE N N 15 121.382 0.044 . 1 . . . . A 18 ILE N . 34451 1 276 . 1 . 1 51 51 ALA H H 1 8.064 0.01 . 1 . . . . A 19 ALA H . 34451 1 277 . 1 . 1 51 51 ALA HA H 1 3.997 0 . 1 . . . . A 19 ALA HA . 34451 1 278 . 1 . 1 51 51 ALA HB1 H 1 1.477 0 . 1 . . . . A 19 ALA HB1 . 34451 1 279 . 1 . 1 51 51 ALA HB2 H 1 1.477 0 . 1 . . . . A 19 ALA HB2 . 34451 1 280 . 1 . 1 51 51 ALA HB3 H 1 1.477 0 . 1 . . . . A 19 ALA HB3 . 34451 1 281 . 1 . 1 51 51 ALA C C 13 181.05 0.013 . 1 . . . . A 19 ALA C . 34451 1 282 . 1 . 1 51 51 ALA CA C 13 55.527 0.124 . 1 . . . . A 19 ALA CA . 34451 1 283 . 1 . 1 51 51 ALA CB C 13 18.161 0 . 1 . . . . A 19 ALA CB . 34451 1 284 . 1 . 1 51 51 ALA N N 15 121.167 0.122 . 1 . . . . A 19 ALA N . 34451 1 285 . 1 . 1 52 52 GLN H H 1 7.651 0.005 . 1 . . . . A 20 GLN H . 34451 1 286 . 1 . 1 52 52 GLN HA H 1 4.003 0.009 . 1 . . . . A 20 GLN HA . 34451 1 287 . 1 . 1 52 52 GLN HB2 H 1 2.103 0 . 1 . . . . A 20 GLN HB2 . 34451 1 288 . 1 . 1 52 52 GLN HB3 H 1 2.103 0 . 1 . . . . A 20 GLN HB3 . 34451 1 289 . 1 . 1 52 52 GLN HG2 H 1 2.238 0 . 1 . . . . A 20 GLN HG2 . 34451 1 290 . 1 . 1 52 52 GLN HE21 H 1 7.514 0.01 . 1 . . . . A 20 GLN HE21 . 34451 1 291 . 1 . 1 52 52 GLN HE22 H 1 6.833 0 . 1 . . . . A 20 GLN HE22 . 34451 1 292 . 1 . 1 52 52 GLN C C 13 178.97 0.003 . 1 . . . . A 20 GLN C . 34451 1 293 . 1 . 1 52 52 GLN CA C 13 58.52 0.021 . 1 . . . . A 20 GLN CA . 34451 1 294 . 1 . 1 52 52 GLN CB C 13 28.461 0.031 . 1 . . . . A 20 GLN CB . 34451 1 295 . 1 . 1 52 52 GLN CG C 13 33.624 0.119 . 1 . . . . A 20 GLN CG . 34451 1 296 . 1 . 1 52 52 GLN N N 15 117.373 0.067 . 1 . . . . A 20 GLN N . 34451 1 297 . 1 . 1 52 52 GLN NE2 N 15 111.654 0 . 1 . . . . A 20 GLN NE2 . 34451 1 298 . 1 . 1 53 53 VAL H H 1 7.967 0.019 . 1 . . . . A 21 VAL H . 34451 1 299 . 1 . 1 53 53 VAL HA H 1 3.783 0 . 1 . . . . A 21 VAL HA . 34451 1 300 . 1 . 1 53 53 VAL HB H 1 2.107 0 . 1 . . . . A 21 VAL HB . 34451 1 301 . 1 . 1 53 53 VAL HG11 H 1 0.913 0 . 2 . . . . A 21 VAL HG11 . 34451 1 302 . 1 . 1 53 53 VAL HG12 H 1 0.913 0 . 2 . . . . A 21 VAL HG12 . 34451 1 303 . 1 . 1 53 53 VAL HG13 H 1 0.913 0 . 2 . . . . A 21 VAL HG13 . 34451 1 304 . 1 . 1 53 53 VAL HG21 H 1 1.012 0 . 2 . . . . A 21 VAL HG21 . 34451 1 305 . 1 . 1 53 53 VAL HG22 H 1 1.012 0 . 2 . . . . A 21 VAL HG22 . 34451 1 306 . 1 . 1 53 53 VAL HG23 H 1 1.012 0 . 2 . . . . A 21 VAL HG23 . 34451 1 307 . 1 . 1 53 53 VAL C C 13 178.579 0.002 . 1 . . . . A 21 VAL C . 34451 1 308 . 1 . 1 53 53 VAL CA C 13 65.966 0.065 . 1 . . . . A 21 VAL CA . 34451 1 309 . 1 . 1 53 53 VAL CB C 13 32.187 0.027 . 1 . . . . A 21 VAL CB . 34451 1 310 . 1 . 1 53 53 VAL CG1 C 13 20.949 0 . 2 . . . . A 21 VAL CG1 . 34451 1 311 . 1 . 1 53 53 VAL CG2 C 13 22.566 0 . 2 . . . . A 21 VAL CG2 . 34451 1 312 . 1 . 1 53 53 VAL N N 15 120.926 0.108 . 1 . . . . A 21 VAL N . 34451 1 313 . 1 . 1 54 54 LEU H H 1 8.488 0.01 . 1 . . . . A 22 LEU H . 34451 1 314 . 1 . 1 54 54 LEU HA H 1 4.108 0.005 . 1 . . . . A 22 LEU HA . 34451 1 315 . 1 . 1 54 54 LEU HB2 H 1 1.721 0.001 . 2 . . . . A 22 LEU HB2 . 34451 1 316 . 1 . 1 54 54 LEU HB3 H 1 1.412 0 . 2 . . . . A 22 LEU HB3 . 34451 1 317 . 1 . 1 54 54 LEU HD11 H 1 0.817 0 . 2 . . . . A 22 LEU HD11 . 34451 1 318 . 1 . 1 54 54 LEU HD12 H 1 0.817 0 . 2 . . . . A 22 LEU HD12 . 34451 1 319 . 1 . 1 54 54 LEU HD13 H 1 0.817 0 . 2 . . . . A 22 LEU HD13 . 34451 1 320 . 1 . 1 54 54 LEU HD21 H 1 0.805 0 . 2 . . . . A 22 LEU HD21 . 34451 1 321 . 1 . 1 54 54 LEU HD22 H 1 0.805 0 . 2 . . . . A 22 LEU HD22 . 34451 1 322 . 1 . 1 54 54 LEU HD23 H 1 0.805 0 . 2 . . . . A 22 LEU HD23 . 34451 1 323 . 1 . 1 54 54 LEU C C 13 180.38 0 . 1 . . . . A 22 LEU C . 34451 1 324 . 1 . 1 54 54 LEU CA C 13 56.797 0.063 . 1 . . . . A 22 LEU CA . 34451 1 325 . 1 . 1 54 54 LEU CB C 13 41.444 0.038 . 1 . . . . A 22 LEU CB . 34451 1 326 . 1 . 1 54 54 LEU CD1 C 13 22.519 0 . 2 . . . . A 22 LEU CD1 . 34451 1 327 . 1 . 1 54 54 LEU CD2 C 13 25.975 0 . 2 . . . . A 22 LEU CD2 . 34451 1 328 . 1 . 1 54 54 LEU N N 15 118.407 0.061 . 1 . . . . A 22 LEU N . 34451 1 329 . 1 . 1 55 55 GLY H H 1 8.173 0.013 . 1 . . . . A 23 GLY H . 34451 1 330 . 1 . 1 55 55 GLY HA2 H 1 3.907 0.011 . 2 . . . . A 23 GLY HA2 . 34451 1 331 . 1 . 1 55 55 GLY HA3 H 1 3.837 0 . 2 . . . . A 23 GLY HA3 . 34451 1 332 . 1 . 1 55 55 GLY C C 13 176.071 0 . 1 . . . . A 23 GLY C . 34451 1 333 . 1 . 1 55 55 GLY CA C 13 46.932 0.119 . 1 . . . . A 23 GLY CA . 34451 1 334 . 1 . 1 55 55 GLY N N 15 108.719 0.064 . 1 . . . . A 23 GLY N . 34451 1 335 . 1 . 1 56 56 ALA H H 1 7.739 0.004 . 1 . . . . A 24 ALA H . 34451 1 336 . 1 . 1 56 56 ALA HA H 1 4.261 0.006 . 1 . . . . A 24 ALA HA . 34451 1 337 . 1 . 1 56 56 ALA HB1 H 1 1.46 0.003 . 1 . . . . A 24 ALA HB1 . 34451 1 338 . 1 . 1 56 56 ALA HB2 H 1 1.46 0.003 . 1 . . . . A 24 ALA HB2 . 34451 1 339 . 1 . 1 56 56 ALA HB3 H 1 1.46 0.003 . 1 . . . . A 24 ALA HB3 . 34451 1 340 . 1 . 1 56 56 ALA C C 13 178.722 0 . 1 . . . . A 24 ALA C . 34451 1 341 . 1 . 1 56 56 ALA CA C 13 53.54 0.198 . 1 . . . . A 24 ALA CA . 34451 1 342 . 1 . 1 56 56 ALA CB C 13 18.26 0.178 . 1 . . . . A 24 ALA CB . 34451 1 343 . 1 . 1 56 56 ALA N N 15 122.784 0.058 . 1 . . . . A 24 ALA N . 34451 1 344 . 1 . 1 57 57 LYS H H 1 7.577 0.003 . 1 . . . . A 25 LYS H . 34451 1 345 . 1 . 1 57 57 LYS HA H 1 4.343 0.002 . 1 . . . . A 25 LYS HA . 34451 1 346 . 1 . 1 57 57 LYS HB2 H 1 1.887 0 . 2 . . . . A 25 LYS HB2 . 34451 1 347 . 1 . 1 57 57 LYS HB3 H 1 1.965 0 . 2 . . . . A 25 LYS HB3 . 34451 1 348 . 1 . 1 57 57 LYS HG2 H 1 1.489 0 . 2 . . . . A 25 LYS HG2 . 34451 1 349 . 1 . 1 57 57 LYS HG3 H 1 1.577 0 . 2 . . . . A 25 LYS HG3 . 34451 1 350 . 1 . 1 57 57 LYS HD2 H 1 1.691 0 . 2 . . . . A 25 LYS HD2 . 34451 1 351 . 1 . 1 57 57 LYS HD3 H 1 1.688 0.002 . 2 . . . . A 25 LYS HD3 . 34451 1 352 . 1 . 1 57 57 LYS HE2 H 1 2.957 0 . 1 . . . . A 25 LYS HE2 . 34451 1 353 . 1 . 1 57 57 LYS HE3 H 1 2.957 0 . 1 . . . . A 25 LYS HE3 . 34451 1 354 . 1 . 1 57 57 LYS C C 13 177.651 0 . 1 . . . . A 25 LYS C . 34451 1 355 . 1 . 1 57 57 LYS CA C 13 56.662 0.069 . 1 . . . . A 25 LYS CA . 34451 1 356 . 1 . 1 57 57 LYS CB C 13 32.845 0.033 . 1 . . . . A 25 LYS CB . 34451 1 357 . 1 . 1 57 57 LYS CG C 13 24.461 0.033 . 1 . . . . A 25 LYS CG . 34451 1 358 . 1 . 1 57 57 LYS CD C 13 29.28 0.067 . 1 . . . . A 25 LYS CD . 34451 1 359 . 1 . 1 57 57 LYS N N 15 116.04 0.045 . 1 . . . . A 25 LYS N . 34451 1 360 . 1 . 1 58 58 GLY H H 1 7.709 0.004 . 1 . . . . A 26 GLY H . 34451 1 361 . 1 . 1 58 58 GLY HA2 H 1 3.827 0.002 . 2 . . . . A 26 GLY HA2 . 34451 1 362 . 1 . 1 58 58 GLY HA3 H 1 4.167 0.006 . 2 . . . . A 26 GLY HA3 . 34451 1 363 . 1 . 1 58 58 GLY C C 13 174.557 0 . 1 . . . . A 26 GLY C . 34451 1 364 . 1 . 1 58 58 GLY CA C 13 45.486 0.033 . 1 . . . . A 26 GLY CA . 34451 1 365 . 1 . 1 58 58 GLY N N 15 106.733 0.031 . 1 . . . . A 26 GLY N . 34451 1 366 . 1 . 1 59 59 GLY H H 1 8.008 0.004 . 1 . . . . A 27 GLY H . 34451 1 367 . 1 . 1 59 59 GLY HA2 H 1 4.052 0 . 1 . . . . A 27 GLY HA2 . 34451 1 368 . 1 . 1 59 59 GLY HA3 H 1 4.052 0 . 1 . . . . A 27 GLY HA3 . 34451 1 369 . 1 . 1 59 59 GLY CA C 13 44.271 0 . 1 . . . . A 27 GLY CA . 34451 1 370 . 1 . 1 59 59 GLY N N 15 107.893 0.034 . 1 . . . . A 27 GLY N . 34451 1 371 . 1 . 1 60 60 PRO HA H 1 4.401 0.01 . 1 . . . . A 28 PRO HA . 34451 1 372 . 1 . 1 60 60 PRO HB2 H 1 2.213 0 . 2 . . . . A 28 PRO HB2 . 34451 1 373 . 1 . 1 60 60 PRO HB3 H 1 1.863 0 . 2 . . . . A 28 PRO HB3 . 34451 1 374 . 1 . 1 60 60 PRO HG2 H 1 1.948 0 . 1 . . . . A 28 PRO HG2 . 34451 1 375 . 1 . 1 60 60 PRO HG3 H 1 1.948 0 . 1 . . . . A 28 PRO HG3 . 34451 1 376 . 1 . 1 60 60 PRO HD2 H 1 3.551 0.018 . 2 . . . . A 28 PRO HD2 . 34451 1 377 . 1 . 1 60 60 PRO HD3 H 1 3.615 0 . 2 . . . . A 28 PRO HD3 . 34451 1 378 . 1 . 1 60 60 PRO C C 13 176.819 0 . 1 . . . . A 28 PRO C . 34451 1 379 . 1 . 1 60 60 PRO CA C 13 62.608 0.05 . 1 . . . . A 28 PRO CA . 34451 1 380 . 1 . 1 60 60 PRO CB C 13 31.983 0.095 . 1 . . . . A 28 PRO CB . 34451 1 381 . 1 . 1 60 60 PRO CG C 13 27.044 0.152 . 1 . . . . A 28 PRO CG . 34451 1 382 . 1 . 1 60 60 PRO CD C 13 49.409 0 . 1 . . . . A 28 PRO CD . 34451 1 383 . 1 . 1 61 61 LEU H H 1 8.269 0.017 . 1 . . . . A 29 LEU H . 34451 1 384 . 1 . 1 61 61 LEU HA H 1 4.218 0.016 . 1 . . . . A 29 LEU HA . 34451 1 385 . 1 . 1 61 61 LEU HB2 H 1 1.507 0.009 . 2 . . . . A 29 LEU HB2 . 34451 1 386 . 1 . 1 61 61 LEU HB3 H 1 1.635 0 . 2 . . . . A 29 LEU HB3 . 34451 1 387 . 1 . 1 61 61 LEU HD11 H 1 0.798 0 . 2 . . . . A 29 LEU HD11 . 34451 1 388 . 1 . 1 61 61 LEU HD12 H 1 0.798 0 . 2 . . . . A 29 LEU HD12 . 34451 1 389 . 1 . 1 61 61 LEU HD13 H 1 0.798 0 . 2 . . . . A 29 LEU HD13 . 34451 1 390 . 1 . 1 61 61 LEU HD21 H 1 0.885 0 . 2 . . . . A 29 LEU HD21 . 34451 1 391 . 1 . 1 61 61 LEU HD22 H 1 0.885 0 . 2 . . . . A 29 LEU HD22 . 34451 1 392 . 1 . 1 61 61 LEU HD23 H 1 0.885 0 . 2 . . . . A 29 LEU HD23 . 34451 1 393 . 1 . 1 61 61 LEU C C 13 177.09 0 . 1 . . . . A 29 LEU C . 34451 1 394 . 1 . 1 61 61 LEU CA C 13 55.655 0.03 . 1 . . . . A 29 LEU CA . 34451 1 395 . 1 . 1 61 61 LEU CB C 13 41.768 0.033 . 1 . . . . A 29 LEU CB . 34451 1 396 . 1 . 1 61 61 LEU CD1 C 13 23.429 0.071 . 2 . . . . A 29 LEU CD1 . 34451 1 397 . 1 . 1 61 61 LEU CD2 C 13 24.692 0 . 2 . . . . A 29 LEU CD2 . 34451 1 398 . 1 . 1 61 61 LEU N N 15 122.176 0.157 . 1 . . . . A 29 LEU N . 34451 1 399 . 1 . 1 62 62 VAL H H 1 7.537 0.011 . 1 . . . . A 30 VAL H . 34451 1 400 . 1 . 1 62 62 VAL HA H 1 4.227 0.012 . 1 . . . . A 30 VAL HA . 34451 1 401 . 1 . 1 62 62 VAL HB H 1 2.015 0.002 . 1 . . . . A 30 VAL HB . 34451 1 402 . 1 . 1 62 62 VAL HG11 H 1 0.783 0.002 . 2 . . . . A 30 VAL HG11 . 34451 1 403 . 1 . 1 62 62 VAL HG12 H 1 0.783 0.002 . 2 . . . . A 30 VAL HG12 . 34451 1 404 . 1 . 1 62 62 VAL HG13 H 1 0.783 0.002 . 2 . . . . A 30 VAL HG13 . 34451 1 405 . 1 . 1 62 62 VAL HG21 H 1 0.854 0 . 2 . . . . A 30 VAL HG21 . 34451 1 406 . 1 . 1 62 62 VAL HG22 H 1 0.854 0 . 2 . . . . A 30 VAL HG22 . 34451 1 407 . 1 . 1 62 62 VAL HG23 H 1 0.854 0 . 2 . . . . A 30 VAL HG23 . 34451 1 408 . 1 . 1 62 62 VAL C C 13 174.129 0.006 . 1 . . . . A 30 VAL C . 34451 1 409 . 1 . 1 62 62 VAL CA C 13 59.859 0.128 . 1 . . . . A 30 VAL CA . 34451 1 410 . 1 . 1 62 62 VAL CB C 13 34.417 0.068 . 1 . . . . A 30 VAL CB . 34451 1 411 . 1 . 1 62 62 VAL CG1 C 13 19.336 0.055 . 2 . . . . A 30 VAL CG1 . 34451 1 412 . 1 . 1 62 62 VAL CG2 C 13 21.16 0 . 2 . . . . A 30 VAL CG2 . 34451 1 413 . 1 . 1 62 62 VAL N N 15 118.552 0.073 . 1 . . . . A 30 VAL N . 34451 1 414 . 1 . 1 63 63 ALA H H 1 8.111 0.007 . 1 . . . . A 31 ALA H . 34451 1 415 . 1 . 1 63 63 ALA HA H 1 4.194 0.002 . 1 . . . . A 31 ALA HA . 34451 1 416 . 1 . 1 63 63 ALA HB1 H 1 1.261 0.003 . 1 . . . . A 31 ALA HB1 . 34451 1 417 . 1 . 1 63 63 ALA HB2 H 1 1.261 0.003 . 1 . . . . A 31 ALA HB2 . 34451 1 418 . 1 . 1 63 63 ALA HB3 H 1 1.261 0.003 . 1 . . . . A 31 ALA HB3 . 34451 1 419 . 1 . 1 63 63 ALA C C 13 176.505 0.007 . 1 . . . . A 31 ALA C . 34451 1 420 . 1 . 1 63 63 ALA CA C 13 51.966 0.152 . 1 . . . . A 31 ALA CA . 34451 1 421 . 1 . 1 63 63 ALA CB C 13 18.681 0.179 . 1 . . . . A 31 ALA CB . 34451 1 422 . 1 . 1 63 63 ALA N N 15 125.355 0.071 . 1 . . . . A 31 ALA N . 34451 1 423 . 1 . 1 64 64 VAL H H 1 8.313 0.026 . 1 . . . . A 32 VAL H . 34451 1 424 . 1 . 1 64 64 VAL HA H 1 3.841 0.007 . 1 . . . . A 32 VAL HA . 34451 1 425 . 1 . 1 64 64 VAL HB H 1 2.056 0.035 . 1 . . . . A 32 VAL HB . 34451 1 426 . 1 . 1 64 64 VAL HG11 H 1 0.95 0 . 2 . . . . A 32 VAL HG11 . 34451 1 427 . 1 . 1 64 64 VAL HG12 H 1 0.95 0 . 2 . . . . A 32 VAL HG12 . 34451 1 428 . 1 . 1 64 64 VAL HG13 H 1 0.95 0 . 2 . . . . A 32 VAL HG13 . 34451 1 429 . 1 . 1 64 64 VAL HG21 H 1 0.893 0.047 . 2 . . . . A 32 VAL HG21 . 34451 1 430 . 1 . 1 64 64 VAL HG22 H 1 0.893 0.047 . 2 . . . . A 32 VAL HG22 . 34451 1 431 . 1 . 1 64 64 VAL HG23 H 1 0.893 0.047 . 2 . . . . A 32 VAL HG23 . 34451 1 432 . 1 . 1 64 64 VAL C C 13 174.788 0 . 1 . . . . A 32 VAL C . 34451 1 433 . 1 . 1 64 64 VAL CA C 13 62.831 0.153 . 1 . . . . A 32 VAL CA . 34451 1 434 . 1 . 1 64 64 VAL CB C 13 32.415 0.1 . 1 . . . . A 32 VAL CB . 34451 1 435 . 1 . 1 64 64 VAL CG1 C 13 21.864 0.128 . 1 . . . . A 32 VAL CG1 . 34451 1 436 . 1 . 1 64 64 VAL CG2 C 13 21.864 0.128 . 1 . . . . A 32 VAL CG2 . 34451 1 437 . 1 . 1 64 64 VAL N N 15 122.103 0.13 . 1 . . . . A 32 VAL N . 34451 1 438 . 1 . 1 65 65 GLU H H 1 8.629 0.005 . 1 . . . . A 33 GLU H . 34451 1 439 . 1 . 1 65 65 GLU HA H 1 4.76 0.006 . 1 . . . . A 33 GLU HA . 34451 1 440 . 1 . 1 65 65 GLU HB2 H 1 2.159 0 . 2 . . . . A 33 GLU HB2 . 34451 1 441 . 1 . 1 65 65 GLU HB3 H 1 1.903 0.001 . 2 . . . . A 33 GLU HB3 . 34451 1 442 . 1 . 1 65 65 GLU HG2 H 1 2.104 0 . 1 . . . . A 33 GLU HG2 . 34451 1 443 . 1 . 1 65 65 GLU HG3 H 1 2.104 0 . 1 . . . . A 33 GLU HG3 . 34451 1 444 . 1 . 1 65 65 GLU C C 13 177.435 0.009 . 1 . . . . A 33 GLU C . 34451 1 445 . 1 . 1 65 65 GLU CA C 13 53.906 0.076 . 1 . . . . A 33 GLU CA . 34451 1 446 . 1 . 1 65 65 GLU CB C 13 32.441 0.123 . 1 . . . . A 33 GLU CB . 34451 1 447 . 1 . 1 65 65 GLU CG C 13 35.759 0.029 . 1 . . . . A 33 GLU CG . 34451 1 448 . 1 . 1 65 65 GLU N N 15 125.807 0.056 . 1 . . . . A 33 GLU N . 34451 1 449 . 1 . 1 66 66 ILE H H 1 8.484 0.02 . 1 . . . . A 34 ILE H . 34451 1 450 . 1 . 1 66 66 ILE HA H 1 3.721 0.006 . 1 . . . . A 34 ILE HA . 34451 1 451 . 1 . 1 66 66 ILE HB H 1 1.359 0.004 . 1 . . . . A 34 ILE HB . 34451 1 452 . 1 . 1 66 66 ILE HG12 H 1 1.027 0.003 . 2 . . . . A 34 ILE HG12 . 34451 1 453 . 1 . 1 66 66 ILE HG13 H 1 1.17 0.008 . 2 . . . . A 34 ILE HG13 . 34451 1 454 . 1 . 1 66 66 ILE HG21 H 1 0.661 0.014 . 1 . . . . A 34 ILE HG21 . 34451 1 455 . 1 . 1 66 66 ILE HG22 H 1 0.661 0.014 . 1 . . . . A 34 ILE HG22 . 34451 1 456 . 1 . 1 66 66 ILE HG23 H 1 0.661 0.014 . 1 . . . . A 34 ILE HG23 . 34451 1 457 . 1 . 1 66 66 ILE HD11 H 1 0.597 0.008 . 1 . . . . A 34 ILE HD11 . 34451 1 458 . 1 . 1 66 66 ILE HD12 H 1 0.597 0.008 . 1 . . . . A 34 ILE HD12 . 34451 1 459 . 1 . 1 66 66 ILE HD13 H 1 0.597 0.008 . 1 . . . . A 34 ILE HD13 . 34451 1 460 . 1 . 1 66 66 ILE C C 13 173.97 0.008 . 1 . . . . A 34 ILE C . 34451 1 461 . 1 . 1 66 66 ILE CA C 13 63.505 0.071 . 1 . . . . A 34 ILE CA . 34451 1 462 . 1 . 1 66 66 ILE CB C 13 37.983 0.09 . 1 . . . . A 34 ILE CB . 34451 1 463 . 1 . 1 66 66 ILE CG1 C 13 28.373 0.044 . 1 . . . . A 34 ILE CG1 . 34451 1 464 . 1 . 1 66 66 ILE CG2 C 13 17.378 0.066 . 1 . . . . A 34 ILE CG2 . 34451 1 465 . 1 . 1 66 66 ILE CD1 C 13 13.505 0.075 . 1 . . . . A 34 ILE CD1 . 34451 1 466 . 1 . 1 66 66 ILE N N 15 119.714 0.101 . 1 . . . . A 34 ILE N . 34451 1 467 . 1 . 1 67 67 ASP H H 1 7.546 0.006 . 1 . . . . A 35 ASP H . 34451 1 468 . 1 . 1 67 67 ASP HA H 1 4.834 0.004 . 1 . . . . A 35 ASP HA . 34451 1 469 . 1 . 1 67 67 ASP HB2 H 1 2.66 0.002 . 2 . . . . A 35 ASP HB2 . 34451 1 470 . 1 . 1 67 67 ASP HB3 H 1 2.136 0 . 2 . . . . A 35 ASP HB3 . 34451 1 471 . 1 . 1 67 67 ASP C C 13 176.521 0 . 1 . . . . A 35 ASP C . 34451 1 472 . 1 . 1 67 67 ASP CA C 13 52.466 0.07 . 1 . . . . A 35 ASP CA . 34451 1 473 . 1 . 1 67 67 ASP CB C 13 40.453 0.073 . 1 . . . . A 35 ASP CB . 34451 1 474 . 1 . 1 67 67 ASP N N 15 114.116 0.053 . 1 . . . . A 35 ASP N . 34451 1 475 . 1 . 1 68 68 SER H H 1 7.76 0.002 . 1 . . . . A 36 SER H . 34451 1 476 . 1 . 1 68 68 SER HA H 1 4.149 0 . 1 . . . . A 36 SER HA . 34451 1 477 . 1 . 1 68 68 SER HB2 H 1 3.69 0 . 2 . . . . A 36 SER HB2 . 34451 1 478 . 1 . 1 68 68 SER HB3 H 1 3.79 0 . 2 . . . . A 36 SER HB3 . 34451 1 479 . 1 . 1 68 68 SER C C 13 173.753 0 . 1 . . . . A 36 SER C . 34451 1 480 . 1 . 1 68 68 SER CA C 13 61.08 0.054 . 1 . . . . A 36 SER CA . 34451 1 481 . 1 . 1 68 68 SER CB C 13 63.347 0.095 . 1 . . . . A 36 SER CB . 34451 1 482 . 1 . 1 68 68 SER N N 15 116.975 0.037 . 1 . . . . A 36 SER N . 34451 1 483 . 1 . 1 69 69 ARG H H 1 9.092 0.006 . 1 . . . . A 37 ARG H . 34451 1 484 . 1 . 1 69 69 ARG HA H 1 4.559 0.004 . 1 . . . . A 37 ARG HA . 34451 1 485 . 1 . 1 69 69 ARG HB2 H 1 1.948 0.002 . 2 . . . . A 37 ARG HB2 . 34451 1 486 . 1 . 1 69 69 ARG HB3 H 1 1.732 0.001 . 2 . . . . A 37 ARG HB3 . 34451 1 487 . 1 . 1 69 69 ARG HG2 H 1 1.492 0 . 2 . . . . A 37 ARG HG2 . 34451 1 488 . 1 . 1 69 69 ARG HG3 H 1 1.812 0.007 . 2 . . . . A 37 ARG HG3 . 34451 1 489 . 1 . 1 69 69 ARG HD2 H 1 3.183 0.002 . 2 . . . . A 37 ARG HD2 . 34451 1 490 . 1 . 1 69 69 ARG HD3 H 1 3.184 0 . 2 . . . . A 37 ARG HD3 . 34451 1 491 . 1 . 1 69 69 ARG C C 13 178.218 0 . 1 . . . . A 37 ARG C . 34451 1 492 . 1 . 1 69 69 ARG CA C 13 55.29 0.058 . 1 . . . . A 37 ARG CA . 34451 1 493 . 1 . 1 69 69 ARG CB C 13 30.516 0.125 . 1 . . . . A 37 ARG CB . 34451 1 494 . 1 . 1 69 69 ARG CG C 13 27.911 0.114 . 1 . . . . A 37 ARG CG . 34451 1 495 . 1 . 1 69 69 ARG CD C 13 43.225 0.104 . 1 . . . . A 37 ARG CD . 34451 1 496 . 1 . 1 69 69 ARG N N 15 122.465 0.048 . 1 . . . . A 37 ARG N . 34451 1 497 . 1 . 1 70 70 PHE H H 1 7.958 0.011 . 1 . . . . A 38 PHE H . 34451 1 498 . 1 . 1 70 70 PHE HA H 1 4.008 0.002 . 1 . . . . A 38 PHE HA . 34451 1 499 . 1 . 1 70 70 PHE HB2 H 1 3.135 0.007 . 2 . . . . A 38 PHE HB2 . 34451 1 500 . 1 . 1 70 70 PHE HB3 H 1 2.95 0.002 . 2 . . . . A 38 PHE HB3 . 34451 1 501 . 1 . 1 70 70 PHE HD1 H 1 7.026 0.013 . 1 . . . . A 38 PHE HD1 . 34451 1 502 . 1 . 1 70 70 PHE HD2 H 1 7.026 0.013 . 1 . . . . A 38 PHE HD2 . 34451 1 503 . 1 . 1 70 70 PHE C C 13 178.172 0 . 1 . . . . A 38 PHE C . 34451 1 504 . 1 . 1 70 70 PHE CA C 13 63.385 0.14 . 1 . . . . A 38 PHE CA . 34451 1 505 . 1 . 1 70 70 PHE CB C 13 37.746 0.11 . 1 . . . . A 38 PHE CB . 34451 1 506 . 1 . 1 70 70 PHE N N 15 123.043 0.048 . 1 . . . . A 38 PHE N . 34451 1 507 . 1 . 1 71 71 SER H H 1 9.086 0.005 . 1 . . . . A 39 SER H . 34451 1 508 . 1 . 1 71 71 SER HA H 1 4.248 0.002 . 1 . . . . A 39 SER HA . 34451 1 509 . 1 . 1 71 71 SER HB2 H 1 3.877 0.01 . 2 . . . . A 39 SER HB2 . 34451 1 510 . 1 . 1 71 71 SER HB3 H 1 3.96 0.004 . 2 . . . . A 39 SER HB3 . 34451 1 511 . 1 . 1 71 71 SER C C 13 177.575 0 . 1 . . . . A 39 SER C . 34451 1 512 . 1 . 1 71 71 SER CA C 13 61.406 0.172 . 1 . . . . A 39 SER CA . 34451 1 513 . 1 . 1 71 71 SER CB C 13 61.661 0.03 . 1 . . . . A 39 SER CB . 34451 1 514 . 1 . 1 71 71 SER N N 15 113.39 0.04 . 1 . . . . A 39 SER N . 34451 1 515 . 1 . 1 72 72 ASP H H 1 6.975 0.004 . 1 . . . . A 40 ASP H . 34451 1 516 . 1 . 1 72 72 ASP HA H 1 4.568 0.006 . 1 . . . . A 40 ASP HA . 34451 1 517 . 1 . 1 72 72 ASP HB2 H 1 2.851 0 . 1 . . . . A 40 ASP HB2 . 34451 1 518 . 1 . 1 72 72 ASP C C 13 177.364 0 . 1 . . . . A 40 ASP C . 34451 1 519 . 1 . 1 72 72 ASP CA C 13 56.438 0.046 . 1 . . . . A 40 ASP CA . 34451 1 520 . 1 . 1 72 72 ASP CB C 13 40.449 0.061 . 1 . . . . A 40 ASP CB . 34451 1 521 . 1 . 1 72 72 ASP N N 15 122.712 0.04 . 1 . . . . A 40 ASP N . 34451 1 522 . 1 . 1 73 73 LEU H H 1 7.558 0.012 . 1 . . . . A 41 LEU H . 34451 1 523 . 1 . 1 73 73 LEU HA H 1 4.189 0.014 . 1 . . . . A 41 LEU HA . 34451 1 524 . 1 . 1 73 73 LEU HB2 H 1 1.467 0.006 . 2 . . . . A 41 LEU HB2 . 34451 1 525 . 1 . 1 73 73 LEU HB3 H 1 1.978 0.003 . 2 . . . . A 41 LEU HB3 . 34451 1 526 . 1 . 1 73 73 LEU HG H 1 1.795 0.002 . 1 . . . . A 41 LEU HG . 34451 1 527 . 1 . 1 73 73 LEU HD11 H 1 0.819 0 . 2 . . . . A 41 LEU HD11 . 34451 1 528 . 1 . 1 73 73 LEU HD12 H 1 0.819 0 . 2 . . . . A 41 LEU HD12 . 34451 1 529 . 1 . 1 73 73 LEU HD13 H 1 0.819 0 . 2 . . . . A 41 LEU HD13 . 34451 1 530 . 1 . 1 73 73 LEU HD21 H 1 0.669 0.013 . 2 . . . . A 41 LEU HD21 . 34451 1 531 . 1 . 1 73 73 LEU HD22 H 1 0.669 0.013 . 2 . . . . A 41 LEU HD22 . 34451 1 532 . 1 . 1 73 73 LEU HD23 H 1 0.669 0.013 . 2 . . . . A 41 LEU HD23 . 34451 1 533 . 1 . 1 73 73 LEU C C 13 176.511 0.005 . 1 . . . . A 41 LEU C . 34451 1 534 . 1 . 1 73 73 LEU CA C 13 55.39 0.036 . 1 . . . . A 41 LEU CA . 34451 1 535 . 1 . 1 73 73 LEU CB C 13 42.83 0.141 . 1 . . . . A 41 LEU CB . 34451 1 536 . 1 . 1 73 73 LEU CG C 13 25.833 0.034 . 1 . . . . A 41 LEU CG . 34451 1 537 . 1 . 1 73 73 LEU CD1 C 13 22.808 0.049 . 2 . . . . A 41 LEU CD1 . 34451 1 538 . 1 . 1 73 73 LEU CD2 C 13 26.048 0.127 . 2 . . . . A 41 LEU CD2 . 34451 1 539 . 1 . 1 73 73 LEU N N 15 117.423 0.039 . 1 . . . . A 41 LEU N . 34451 1 540 . 1 . 1 74 74 GLY H H 1 7.535 0.006 . 1 . . . . A 42 GLY H . 34451 1 541 . 1 . 1 74 74 GLY HA2 H 1 3.715 0.004 . 2 . . . . A 42 GLY HA2 . 34451 1 542 . 1 . 1 74 74 GLY HA3 H 1 4.144 0.004 . 2 . . . . A 42 GLY HA3 . 34451 1 543 . 1 . 1 74 74 GLY C C 13 174.496 0 . 1 . . . . A 42 GLY C . 34451 1 544 . 1 . 1 74 74 GLY CA C 13 45.323 0.019 . 1 . . . . A 42 GLY CA . 34451 1 545 . 1 . 1 74 74 GLY N N 15 103.628 0.029 . 1 . . . . A 42 GLY N . 34451 1 546 . 1 . 1 75 75 LEU H H 1 7.474 0.004 . 1 . . . . A 43 LEU H . 34451 1 547 . 1 . 1 75 75 LEU HA H 1 4.769 0.008 . 1 . . . . A 43 LEU HA . 34451 1 548 . 1 . 1 75 75 LEU HB2 H 1 1.483 0 . 2 . . . . A 43 LEU HB2 . 34451 1 549 . 1 . 1 75 75 LEU HB3 H 1 1.655 0.01 . 2 . . . . A 43 LEU HB3 . 34451 1 550 . 1 . 1 75 75 LEU HG H 1 1.625 0.001 . 1 . . . . A 43 LEU HG . 34451 1 551 . 1 . 1 75 75 LEU HD11 H 1 0.737 0.004 . 2 . . . . A 43 LEU HD11 . 34451 1 552 . 1 . 1 75 75 LEU HD12 H 1 0.737 0.004 . 2 . . . . A 43 LEU HD12 . 34451 1 553 . 1 . 1 75 75 LEU HD13 H 1 0.737 0.004 . 2 . . . . A 43 LEU HD13 . 34451 1 554 . 1 . 1 75 75 LEU HD21 H 1 0.95 0.007 . 2 . . . . A 43 LEU HD21 . 34451 1 555 . 1 . 1 75 75 LEU HD22 H 1 0.95 0.007 . 2 . . . . A 43 LEU HD22 . 34451 1 556 . 1 . 1 75 75 LEU HD23 H 1 0.95 0.007 . 2 . . . . A 43 LEU HD23 . 34451 1 557 . 1 . 1 75 75 LEU C C 13 176.231 0.005 . 1 . . . . A 43 LEU C . 34451 1 558 . 1 . 1 75 75 LEU CA C 13 55.119 0.015 . 1 . . . . A 43 LEU CA . 34451 1 559 . 1 . 1 75 75 LEU CB C 13 42.338 0.1 . 1 . . . . A 43 LEU CB . 34451 1 560 . 1 . 1 75 75 LEU CG C 13 28.711 0.01 . 1 . . . . A 43 LEU CG . 34451 1 561 . 1 . 1 75 75 LEU CD1 C 13 25.055 0.045 . 2 . . . . A 43 LEU CD1 . 34451 1 562 . 1 . 1 75 75 LEU CD2 C 13 26.858 0.049 . 2 . . . . A 43 LEU CD2 . 34451 1 563 . 1 . 1 75 75 LEU N N 15 120.017 0.052 . 1 . . . . A 43 LEU N . 34451 1 564 . 1 . 1 76 76 SER H H 1 9.674 0.004 . 1 . . . . A 44 SER H . 34451 1 565 . 1 . 1 76 76 SER HA H 1 4.593 0.003 . 1 . . . . A 44 SER HA . 34451 1 566 . 1 . 1 76 76 SER HB2 H 1 4.365 0.004 . 2 . . . . A 44 SER HB2 . 34451 1 567 . 1 . 1 76 76 SER HB3 H 1 3.973 0.003 . 2 . . . . A 44 SER HB3 . 34451 1 568 . 1 . 1 76 76 SER C C 13 175.245 0.003 . 1 . . . . A 44 SER C . 34451 1 569 . 1 . 1 76 76 SER CA C 13 56.416 0.15 . 1 . . . . A 44 SER CA . 34451 1 570 . 1 . 1 76 76 SER CB C 13 66.108 0.125 . 1 . . . . A 44 SER CB . 34451 1 571 . 1 . 1 76 76 SER N N 15 122.18 0.042 . 1 . . . . A 44 SER N . 34451 1 572 . 1 . 1 77 77 SER H H 1 9.002 0.003 . 1 . . . . A 45 SER H . 34451 1 573 . 1 . 1 77 77 SER HB2 H 1 3.87 0 . 2 . . . . A 45 SER HB2 . 34451 1 574 . 1 . 1 77 77 SER HB3 H 1 4.007 0 . 2 . . . . A 45 SER HB3 . 34451 1 575 . 1 . 1 77 77 SER C C 13 177.049 0.018 . 1 . . . . A 45 SER C . 34451 1 576 . 1 . 1 77 77 SER CB C 13 62.035 0.052 . 1 . . . . A 45 SER CB . 34451 1 577 . 1 . 1 77 77 SER N N 15 115.913 0.049 . 1 . . . . A 45 SER N . 34451 1 578 . 1 . 1 78 78 LEU H H 1 7.777 0.011 . 1 . . . . A 46 LEU H . 34451 1 579 . 1 . 1 78 78 LEU HA H 1 4.171 0.009 . 1 . . . . A 46 LEU HA . 34451 1 580 . 1 . 1 78 78 LEU HB2 H 1 1.536 0.007 . 2 . . . . A 46 LEU HB2 . 34451 1 581 . 1 . 1 78 78 LEU HB3 H 1 1.537 0.009 . 2 . . . . A 46 LEU HB3 . 34451 1 582 . 1 . 1 78 78 LEU HD11 H 1 0.858 0 . 2 . . . . A 46 LEU HD11 . 34451 1 583 . 1 . 1 78 78 LEU HD12 H 1 0.858 0 . 2 . . . . A 46 LEU HD12 . 34451 1 584 . 1 . 1 78 78 LEU HD13 H 1 0.858 0 . 2 . . . . A 46 LEU HD13 . 34451 1 585 . 1 . 1 78 78 LEU HD21 H 1 0.806 0 . 2 . . . . A 46 LEU HD21 . 34451 1 586 . 1 . 1 78 78 LEU HD22 H 1 0.806 0 . 2 . . . . A 46 LEU HD22 . 34451 1 587 . 1 . 1 78 78 LEU HD23 H 1 0.806 0 . 2 . . . . A 46 LEU HD23 . 34451 1 588 . 1 . 1 78 78 LEU C C 13 179.379 0.001 . 1 . . . . A 46 LEU C . 34451 1 589 . 1 . 1 78 78 LEU CA C 13 57.67 0.064 . 1 . . . . A 46 LEU CA . 34451 1 590 . 1 . 1 78 78 LEU CB C 13 41.361 0.131 . 1 . . . . A 46 LEU CB . 34451 1 591 . 1 . 1 78 78 LEU CD1 C 13 23.918 0 . 1 . . . . A 46 LEU CD1 . 34451 1 592 . 1 . 1 78 78 LEU CD2 C 13 23.918 0 . 1 . . . . A 46 LEU CD2 . 34451 1 593 . 1 . 1 78 78 LEU N N 15 123.947 0.049 . 1 . . . . A 46 LEU N . 34451 1 594 . 1 . 1 79 79 ASP H H 1 7.587 0.007 . 1 . . . . A 47 ASP H . 34451 1 595 . 1 . 1 79 79 ASP HA H 1 4.266 0.003 . 1 . . . . A 47 ASP HA . 34451 1 596 . 1 . 1 79 79 ASP HB2 H 1 2.388 0.003 . 2 . . . . A 47 ASP HB2 . 34451 1 597 . 1 . 1 79 79 ASP HB3 H 1 2.876 0.005 . 2 . . . . A 47 ASP HB3 . 34451 1 598 . 1 . 1 79 79 ASP C C 13 178.468 0.003 . 1 . . . . A 47 ASP C . 34451 1 599 . 1 . 1 79 79 ASP CA C 13 56.93 0 . 1 . . . . A 47 ASP CA . 34451 1 600 . 1 . 1 79 79 ASP CB C 13 41.071 0.097 . 1 . . . . A 47 ASP CB . 34451 1 601 . 1 . 1 79 79 ASP N N 15 121.189 0.043 . 1 . . . . A 47 ASP N . 34451 1 602 . 1 . 1 80 80 LEU H H 1 8.21 0.005 . 1 . . . . A 48 LEU H . 34451 1 603 . 1 . 1 80 80 LEU HA H 1 3.743 0.005 . 1 . . . . A 48 LEU HA . 34451 1 604 . 1 . 1 80 80 LEU HB2 H 1 1.523 0 . 2 . . . . A 48 LEU HB2 . 34451 1 605 . 1 . 1 80 80 LEU HB3 H 1 1.255 0 . 2 . . . . A 48 LEU HB3 . 34451 1 606 . 1 . 1 80 80 LEU HG H 1 1.257 0 . 1 . . . . A 48 LEU HG . 34451 1 607 . 1 . 1 80 80 LEU HD11 H 1 0.34 0 . 2 . . . . A 48 LEU HD11 . 34451 1 608 . 1 . 1 80 80 LEU HD12 H 1 0.34 0 . 2 . . . . A 48 LEU HD12 . 34451 1 609 . 1 . 1 80 80 LEU HD13 H 1 0.34 0 . 2 . . . . A 48 LEU HD13 . 34451 1 610 . 1 . 1 80 80 LEU HD21 H 1 0.222 0 . 2 . . . . A 48 LEU HD21 . 34451 1 611 . 1 . 1 80 80 LEU HD22 H 1 0.222 0 . 2 . . . . A 48 LEU HD22 . 34451 1 612 . 1 . 1 80 80 LEU HD23 H 1 0.222 0 . 2 . . . . A 48 LEU HD23 . 34451 1 613 . 1 . 1 80 80 LEU C C 13 177.593 0.007 . 1 . . . . A 48 LEU C . 34451 1 614 . 1 . 1 80 80 LEU CA C 13 57.529 0.108 . 1 . . . . A 48 LEU CA . 34451 1 615 . 1 . 1 80 80 LEU CB C 13 41.072 0.179 . 1 . . . . A 48 LEU CB . 34451 1 616 . 1 . 1 80 80 LEU CG C 13 26.776 0.088 . 1 . . . . A 48 LEU CG . 34451 1 617 . 1 . 1 80 80 LEU CD1 C 13 23.08 0 . 2 . . . . A 48 LEU CD1 . 34451 1 618 . 1 . 1 80 80 LEU CD2 C 13 24.122 0 . 2 . . . . A 48 LEU CD2 . 34451 1 619 . 1 . 1 80 80 LEU N N 15 120.379 0.023 . 1 . . . . A 48 LEU N . 34451 1 620 . 1 . 1 81 81 ALA H H 1 7.629 0.006 . 1 . . . . A 49 ALA H . 34451 1 621 . 1 . 1 81 81 ALA HA H 1 3.953 0.005 . 1 . . . . A 49 ALA HA . 34451 1 622 . 1 . 1 81 81 ALA HB1 H 1 1.469 0.003 . 1 . . . . A 49 ALA HB1 . 34451 1 623 . 1 . 1 81 81 ALA HB2 H 1 1.469 0.003 . 1 . . . . A 49 ALA HB2 . 34451 1 624 . 1 . 1 81 81 ALA HB3 H 1 1.469 0.003 . 1 . . . . A 49 ALA HB3 . 34451 1 625 . 1 . 1 81 81 ALA C C 13 180.87 0.014 . 1 . . . . A 49 ALA C . 34451 1 626 . 1 . 1 81 81 ALA CA C 13 55.277 0.129 . 1 . . . . A 49 ALA CA . 34451 1 627 . 1 . 1 81 81 ALA CB C 13 17.477 0.115 . 1 . . . . A 49 ALA CB . 34451 1 628 . 1 . 1 81 81 ALA N N 15 120.669 0.068 . 1 . . . . A 49 ALA N . 34451 1 629 . 1 . 1 82 82 THR H H 1 7.964 0.004 . 1 . . . . A 50 THR H . 34451 1 630 . 1 . 1 82 82 THR HA H 1 3.847 0.004 . 1 . . . . A 50 THR HA . 34451 1 631 . 1 . 1 82 82 THR HB H 1 4.341 0.01 . 1 . . . . A 50 THR HB . 34451 1 632 . 1 . 1 82 82 THR HG21 H 1 1.172 0.003 . 1 . . . . A 50 THR HG21 . 34451 1 633 . 1 . 1 82 82 THR HG22 H 1 1.172 0.003 . 1 . . . . A 50 THR HG22 . 34451 1 634 . 1 . 1 82 82 THR HG23 H 1 1.172 0.003 . 1 . . . . A 50 THR HG23 . 34451 1 635 . 1 . 1 82 82 THR C C 13 175.406 0.005 . 1 . . . . A 50 THR C . 34451 1 636 . 1 . 1 82 82 THR CA C 13 66.395 0.159 . 1 . . . . A 50 THR CA . 34451 1 637 . 1 . 1 82 82 THR CB C 13 68.377 0.048 . 1 . . . . A 50 THR CB . 34451 1 638 . 1 . 1 82 82 THR CG2 C 13 21.661 0.073 . 1 . . . . A 50 THR CG2 . 34451 1 639 . 1 . 1 82 82 THR N N 15 117.607 0.041 . 1 . . . . A 50 THR N . 34451 1 640 . 1 . 1 83 83 LEU H H 1 8.235 0.022 . 1 . . . . A 51 LEU H . 34451 1 641 . 1 . 1 83 83 LEU HA H 1 3.853 0.005 . 1 . . . . A 51 LEU HA . 34451 1 642 . 1 . 1 83 83 LEU HB2 H 1 1.624 0.002 . 2 . . . . A 51 LEU HB2 . 34451 1 643 . 1 . 1 83 83 LEU HB3 H 1 1.877 0.003 . 2 . . . . A 51 LEU HB3 . 34451 1 644 . 1 . 1 83 83 LEU HG H 1 1.719 0 . 1 . . . . A 51 LEU HG . 34451 1 645 . 1 . 1 83 83 LEU HD11 H 1 0.802 0.01 . 2 . . . . A 51 LEU HD11 . 34451 1 646 . 1 . 1 83 83 LEU HD12 H 1 0.802 0.01 . 2 . . . . A 51 LEU HD12 . 34451 1 647 . 1 . 1 83 83 LEU HD13 H 1 0.802 0.01 . 2 . . . . A 51 LEU HD13 . 34451 1 648 . 1 . 1 83 83 LEU HD21 H 1 0.737 0.003 . 2 . . . . A 51 LEU HD21 . 34451 1 649 . 1 . 1 83 83 LEU HD22 H 1 0.737 0.003 . 2 . . . . A 51 LEU HD22 . 34451 1 650 . 1 . 1 83 83 LEU HD23 H 1 0.737 0.003 . 2 . . . . A 51 LEU HD23 . 34451 1 651 . 1 . 1 83 83 LEU C C 13 178.092 0.004 . 1 . . . . A 51 LEU C . 34451 1 652 . 1 . 1 83 83 LEU CA C 13 58.581 0.129 . 1 . . . . A 51 LEU CA . 34451 1 653 . 1 . 1 83 83 LEU CB C 13 41.978 0.103 . 1 . . . . A 51 LEU CB . 34451 1 654 . 1 . 1 83 83 LEU CG C 13 26.661 0 . 1 . . . . A 51 LEU CG . 34451 1 655 . 1 . 1 83 83 LEU CD1 C 13 25.535 0.079 . 2 . . . . A 51 LEU CD1 . 34451 1 656 . 1 . 1 83 83 LEU CD2 C 13 26.54 0.024 . 2 . . . . A 51 LEU CD2 . 34451 1 657 . 1 . 1 83 83 LEU N N 15 123.154 0.082 . 1 . . . . A 51 LEU N . 34451 1 658 . 1 . 1 84 84 ILE H H 1 8.439 0.01 . 1 . . . . A 52 ILE H . 34451 1 659 . 1 . 1 84 84 ILE HA H 1 3.756 0.005 . 1 . . . . A 52 ILE HA . 34451 1 660 . 1 . 1 84 84 ILE HB H 1 1.821 0.006 . 1 . . . . A 52 ILE HB . 34451 1 661 . 1 . 1 84 84 ILE HG12 H 1 1.567 0.001 . 2 . . . . A 52 ILE HG12 . 34451 1 662 . 1 . 1 84 84 ILE HG13 H 1 1.087 0.001 . 2 . . . . A 52 ILE HG13 . 34451 1 663 . 1 . 1 84 84 ILE HG21 H 1 1.013 0.002 . 1 . . . . A 52 ILE HG21 . 34451 1 664 . 1 . 1 84 84 ILE HG22 H 1 1.013 0.002 . 1 . . . . A 52 ILE HG22 . 34451 1 665 . 1 . 1 84 84 ILE HG23 H 1 1.013 0.002 . 1 . . . . A 52 ILE HG23 . 34451 1 666 . 1 . 1 84 84 ILE HD11 H 1 0.38 0.001 . 1 . . . . A 52 ILE HD11 . 34451 1 667 . 1 . 1 84 84 ILE HD12 H 1 0.38 0.001 . 1 . . . . A 52 ILE HD12 . 34451 1 668 . 1 . 1 84 84 ILE HD13 H 1 0.38 0.001 . 1 . . . . A 52 ILE HD13 . 34451 1 669 . 1 . 1 84 84 ILE C C 13 178.423 0 . 1 . . . . A 52 ILE C . 34451 1 670 . 1 . 1 84 84 ILE CA C 13 65.725 0.108 . 1 . . . . A 52 ILE CA . 34451 1 671 . 1 . 1 84 84 ILE CB C 13 37.991 0.119 . 1 . . . . A 52 ILE CB . 34451 1 672 . 1 . 1 84 84 ILE CG1 C 13 30.129 0.082 . 1 . . . . A 52 ILE CG1 . 34451 1 673 . 1 . 1 84 84 ILE CG2 C 13 17.06 0.088 . 1 . . . . A 52 ILE CG2 . 34451 1 674 . 1 . 1 84 84 ILE CD1 C 13 13.358 0.026 . 1 . . . . A 52 ILE CD1 . 34451 1 675 . 1 . 1 84 84 ILE N N 15 118.938 0.063 . 1 . . . . A 52 ILE N . 34451 1 676 . 1 . 1 85 85 SER H H 1 8.05 0.007 . 1 . . . . A 53 SER H . 34451 1 677 . 1 . 1 85 85 SER HA H 1 3.995 0.001 . 1 . . . . A 53 SER HA . 34451 1 678 . 1 . 1 85 85 SER HB2 H 1 4.34 0.002 . 2 . . . . A 53 SER HB2 . 34451 1 679 . 1 . 1 85 85 SER HB3 H 1 4.338 0 . 2 . . . . A 53 SER HB3 . 34451 1 680 . 1 . 1 85 85 SER C C 13 177.821 0 . 1 . . . . A 53 SER C . 34451 1 681 . 1 . 1 85 85 SER CA C 13 62.378 0.024 . 1 . . . . A 53 SER CA . 34451 1 682 . 1 . 1 85 85 SER CB C 13 61.569 0 . 1 . . . . A 53 SER CB . 34451 1 683 . 1 . 1 85 85 SER N N 15 116.599 0.066 . 1 . . . . A 53 SER N . 34451 1 684 . 1 . 1 86 86 ASN H H 1 8.494 0.012 . 1 . . . . A 54 ASN H . 34451 1 685 . 1 . 1 86 86 ASN HA H 1 4.422 0.005 . 1 . . . . A 54 ASN HA . 34451 1 686 . 1 . 1 86 86 ASN HB2 H 1 2.666 0.007 . 2 . . . . A 54 ASN HB2 . 34451 1 687 . 1 . 1 86 86 ASN HB3 H 1 2.96 0.007 . 2 . . . . A 54 ASN HB3 . 34451 1 688 . 1 . 1 86 86 ASN HD21 H 1 7.236 0.01 . 1 . . . . A 54 ASN HD21 . 34451 1 689 . 1 . 1 86 86 ASN HD22 H 1 6.847 0.006 . 1 . . . . A 54 ASN HD22 . 34451 1 690 . 1 . 1 86 86 ASN C C 13 178.828 0.006 . 1 . . . . A 54 ASN C . 34451 1 691 . 1 . 1 86 86 ASN CA C 13 55.678 0.062 . 1 . . . . A 54 ASN CA . 34451 1 692 . 1 . 1 86 86 ASN CB C 13 37.001 0.173 . 1 . . . . A 54 ASN CB . 34451 1 693 . 1 . 1 86 86 ASN N N 15 122.12 0.05 . 1 . . . . A 54 ASN N . 34451 1 694 . 1 . 1 86 86 ASN ND2 N 15 108.397 0.051 . 1 . . . . A 54 ASN ND2 . 34451 1 695 . 1 . 1 87 87 LEU H H 1 8.458 0.018 . 1 . . . . A 55 LEU H . 34451 1 696 . 1 . 1 87 87 LEU HA H 1 3.918 0.005 . 1 . . . . A 55 LEU HA . 34451 1 697 . 1 . 1 87 87 LEU HB2 H 1 2.094 0.008 . 2 . . . . A 55 LEU HB2 . 34451 1 698 . 1 . 1 87 87 LEU HB3 H 1 0.908 0.009 . 2 . . . . A 55 LEU HB3 . 34451 1 699 . 1 . 1 87 87 LEU HD11 H 1 0.661 0.023 . 2 . . . . A 55 LEU HD11 . 34451 1 700 . 1 . 1 87 87 LEU HD12 H 1 0.661 0.023 . 2 . . . . A 55 LEU HD12 . 34451 1 701 . 1 . 1 87 87 LEU HD13 H 1 0.661 0.023 . 2 . . . . A 55 LEU HD13 . 34451 1 702 . 1 . 1 87 87 LEU HD21 H 1 0.749 0 . 2 . . . . A 55 LEU HD21 . 34451 1 703 . 1 . 1 87 87 LEU HD22 H 1 0.749 0 . 2 . . . . A 55 LEU HD22 . 34451 1 704 . 1 . 1 87 87 LEU HD23 H 1 0.749 0 . 2 . . . . A 55 LEU HD23 . 34451 1 705 . 1 . 1 87 87 LEU C C 13 178.81 0 . 1 . . . . A 55 LEU C . 34451 1 706 . 1 . 1 87 87 LEU CA C 13 57.697 0.114 . 1 . . . . A 55 LEU CA . 34451 1 707 . 1 . 1 87 87 LEU CB C 13 40.205 0.098 . 1 . . . . A 55 LEU CB . 34451 1 708 . 1 . 1 87 87 LEU CD1 C 13 23.314 0.054 . 2 . . . . A 55 LEU CD1 . 34451 1 709 . 1 . 1 87 87 LEU CD2 C 13 26.935 0 . 2 . . . . A 55 LEU CD2 . 34451 1 710 . 1 . 1 87 87 LEU N N 15 121.801 0.116 . 1 . . . . A 55 LEU N . 34451 1 711 . 1 . 1 88 88 GLU H H 1 8.713 0.005 . 1 . . . . A 56 GLU H . 34451 1 712 . 1 . 1 88 88 GLU HA H 1 4.264 0.007 . 1 . . . . A 56 GLU HA . 34451 1 713 . 1 . 1 88 88 GLU HB2 H 1 2.349 0 . 2 . . . . A 56 GLU HB2 . 34451 1 714 . 1 . 1 88 88 GLU HB3 H 1 2.237 0 . 2 . . . . A 56 GLU HB3 . 34451 1 715 . 1 . 1 88 88 GLU HG2 H 1 2.241 0 . 1 . . . . A 56 GLU HG2 . 34451 1 716 . 1 . 1 88 88 GLU HG3 H 1 2.241 0 . 1 . . . . A 56 GLU HG3 . 34451 1 717 . 1 . 1 88 88 GLU C C 13 179.514 0 . 1 . . . . A 56 GLU C . 34451 1 718 . 1 . 1 88 88 GLU CA C 13 59.642 0.028 . 1 . . . . A 56 GLU CA . 34451 1 719 . 1 . 1 88 88 GLU CB C 13 28.765 0.08 . 1 . . . . A 56 GLU CB . 34451 1 720 . 1 . 1 88 88 GLU CG C 13 35.614 0.01 . 1 . . . . A 56 GLU CG . 34451 1 721 . 1 . 1 88 88 GLU N N 15 123.267 0.048 . 1 . . . . A 56 GLU N . 34451 1 722 . 1 . 1 89 89 ALA H H 1 7.387 0.005 . 1 . . . . A 57 ALA H . 34451 1 723 . 1 . 1 89 89 ALA HA H 1 4.135 0.003 . 1 . . . . A 57 ALA HA . 34451 1 724 . 1 . 1 89 89 ALA HB1 H 1 1.49 0.005 . 1 . . . . A 57 ALA HB1 . 34451 1 725 . 1 . 1 89 89 ALA HB2 H 1 1.49 0.005 . 1 . . . . A 57 ALA HB2 . 34451 1 726 . 1 . 1 89 89 ALA HB3 H 1 1.49 0.005 . 1 . . . . A 57 ALA HB3 . 34451 1 727 . 1 . 1 89 89 ALA C C 13 179.056 0 . 1 . . . . A 57 ALA C . 34451 1 728 . 1 . 1 89 89 ALA CA C 13 54.201 0.171 . 1 . . . . A 57 ALA CA . 34451 1 729 . 1 . 1 89 89 ALA CB C 13 17.967 0.145 . 1 . . . . A 57 ALA CB . 34451 1 730 . 1 . 1 89 89 ALA N N 15 119.957 0.052 . 1 . . . . A 57 ALA N . 34451 1 731 . 1 . 1 90 90 VAL H H 1 7.223 0.002 . 1 . . . . A 58 VAL H . 34451 1 732 . 1 . 1 90 90 VAL HA H 1 3.611 0.003 . 1 . . . . A 58 VAL HA . 34451 1 733 . 1 . 1 90 90 VAL HB H 1 1.629 0.002 . 1 . . . . A 58 VAL HB . 34451 1 734 . 1 . 1 90 90 VAL HG11 H 1 0.078 0.005 . 2 . . . . A 58 VAL HG11 . 34451 1 735 . 1 . 1 90 90 VAL HG12 H 1 0.078 0.005 . 2 . . . . A 58 VAL HG12 . 34451 1 736 . 1 . 1 90 90 VAL HG13 H 1 0.078 0.005 . 2 . . . . A 58 VAL HG13 . 34451 1 737 . 1 . 1 90 90 VAL HG21 H 1 0.771 0.003 . 2 . . . . A 58 VAL HG21 . 34451 1 738 . 1 . 1 90 90 VAL HG22 H 1 0.771 0.003 . 2 . . . . A 58 VAL HG22 . 34451 1 739 . 1 . 1 90 90 VAL HG23 H 1 0.771 0.003 . 2 . . . . A 58 VAL HG23 . 34451 1 740 . 1 . 1 90 90 VAL C C 13 177.615 0 . 1 . . . . A 58 VAL C . 34451 1 741 . 1 . 1 90 90 VAL CA C 13 64.888 0.124 . 1 . . . . A 58 VAL CA . 34451 1 742 . 1 . 1 90 90 VAL CB C 13 32.511 0.124 . 1 . . . . A 58 VAL CB . 34451 1 743 . 1 . 1 90 90 VAL CG1 C 13 19.938 0.049 . 2 . . . . A 58 VAL CG1 . 34451 1 744 . 1 . 1 90 90 VAL CG2 C 13 21.173 0 . 2 . . . . A 58 VAL CG2 . 34451 1 745 . 1 . 1 90 90 VAL N N 15 116.947 0.031 . 1 . . . . A 58 VAL N . 34451 1 746 . 1 . 1 91 91 TYR H H 1 8.287 0.004 . 1 . . . . A 59 TYR H . 34451 1 747 . 1 . 1 91 91 TYR HA H 1 4.552 0.004 . 1 . . . . A 59 TYR HA . 34451 1 748 . 1 . 1 91 91 TYR HB2 H 1 2.728 0.003 . 2 . . . . A 59 TYR HB2 . 34451 1 749 . 1 . 1 91 91 TYR HB3 H 1 3.42 0.003 . 2 . . . . A 59 TYR HB3 . 34451 1 750 . 1 . 1 91 91 TYR HD1 H 1 6.947 0.007 . 1 . . . . A 59 TYR HD1 . 34451 1 751 . 1 . 1 91 91 TYR HD2 H 1 6.947 0.007 . 1 . . . . A 59 TYR HD2 . 34451 1 752 . 1 . 1 91 91 TYR HE1 H 1 6.463 0.002 . 1 . . . . A 59 TYR HE1 . 34451 1 753 . 1 . 1 91 91 TYR HE2 H 1 6.463 0.002 . 1 . . . . A 59 TYR HE2 . 34451 1 754 . 1 . 1 91 91 TYR C C 13 177.529 0.002 . 1 . . . . A 59 TYR C . 34451 1 755 . 1 . 1 91 91 TYR CA C 13 59.957 0.11 . 1 . . . . A 59 TYR CA . 34451 1 756 . 1 . 1 91 91 TYR CB C 13 39.984 0.098 . 1 . . . . A 59 TYR CB . 34451 1 757 . 1 . 1 91 91 TYR CD1 C 13 132.393 0 . 1 . . . . A 59 TYR CD1 . 34451 1 758 . 1 . 1 91 91 TYR CD2 C 13 132.393 0 . 1 . . . . A 59 TYR CD2 . 34451 1 759 . 1 . 1 91 91 TYR CE1 C 13 117.244 0 . 1 . . . . A 59 TYR CE1 . 34451 1 760 . 1 . 1 91 91 TYR CE2 C 13 117.244 0 . 1 . . . . A 59 TYR CE2 . 34451 1 761 . 1 . 1 91 91 TYR N N 15 115.74 0.041 . 1 . . . . A 59 TYR N . 34451 1 762 . 1 . 1 92 92 GLY H H 1 8.643 0.003 . 1 . . . . A 60 GLY H . 34451 1 763 . 1 . 1 92 92 GLY HA2 H 1 4.065 0.005 . 2 . . . . A 60 GLY HA2 . 34451 1 764 . 1 . 1 92 92 GLY HA3 H 1 4.06 0 . 2 . . . . A 60 GLY HA3 . 34451 1 765 . 1 . 1 92 92 GLY C C 13 173.721 0 . 1 . . . . A 60 GLY C . 34451 1 766 . 1 . 1 92 92 GLY CA C 13 46.377 0.028 . 1 . . . . A 60 GLY CA . 34451 1 767 . 1 . 1 92 92 GLY N N 15 109.224 0.052 . 1 . . . . A 60 GLY N . 34451 1 768 . 1 . 1 93 93 THR H H 1 7.305 0.006 . 1 . . . . A 61 THR H . 34451 1 769 . 1 . 1 93 93 THR HA H 1 4.503 0.006 . 1 . . . . A 61 THR HA . 34451 1 770 . 1 . 1 93 93 THR HB H 1 4.063 0.002 . 1 . . . . A 61 THR HB . 34451 1 771 . 1 . 1 93 93 THR HG21 H 1 1.078 0.006 . 1 . . . . A 61 THR HG21 . 34451 1 772 . 1 . 1 93 93 THR HG22 H 1 1.078 0.006 . 1 . . . . A 61 THR HG22 . 34451 1 773 . 1 . 1 93 93 THR HG23 H 1 1.078 0.006 . 1 . . . . A 61 THR HG23 . 34451 1 774 . 1 . 1 93 93 THR C C 13 172.29 0.007 . 1 . . . . A 61 THR C . 34451 1 775 . 1 . 1 93 93 THR CA C 13 60.008 0.12 . 1 . . . . A 61 THR CA . 34451 1 776 . 1 . 1 93 93 THR CB C 13 70.232 0.136 . 1 . . . . A 61 THR CB . 34451 1 777 . 1 . 1 93 93 THR CG2 C 13 20.71 0.033 . 1 . . . . A 61 THR CG2 . 34451 1 778 . 1 . 1 93 93 THR N N 15 109.427 0.033 . 1 . . . . A 61 THR N . 34451 1 779 . 1 . 1 94 94 ASP H H 1 8.456 0.004 . 1 . . . . A 62 ASP H . 34451 1 780 . 1 . 1 94 94 ASP HA H 1 5.17 0.003 . 1 . . . . A 62 ASP HA . 34451 1 781 . 1 . 1 94 94 ASP HB2 H 1 2.453 0.005 . 2 . . . . A 62 ASP HB2 . 34451 1 782 . 1 . 1 94 94 ASP HB3 H 1 2.823 0.006 . 2 . . . . A 62 ASP HB3 . 34451 1 783 . 1 . 1 94 94 ASP C C 13 174.8 0 . 1 . . . . A 62 ASP C . 34451 1 784 . 1 . 1 94 94 ASP CA C 13 50.865 0.102 . 1 . . . . A 62 ASP CA . 34451 1 785 . 1 . 1 94 94 ASP CB C 13 41.484 0 . 1 . . . . A 62 ASP CB . 34451 1 786 . 1 . 1 94 94 ASP N N 15 120.537 0.054 . 1 . . . . A 62 ASP N . 34451 1 787 . 1 . 1 95 95 PRO HA H 1 4.079 0.003 . 1 . . . . A 63 PRO HA . 34451 1 788 . 1 . 1 95 95 PRO HB2 H 1 0.585 0.037 . 2 . . . . A 63 PRO HB2 . 34451 1 789 . 1 . 1 95 95 PRO HB3 H 1 1.639 0.006 . 2 . . . . A 63 PRO HB3 . 34451 1 790 . 1 . 1 95 95 PRO HG2 H 1 0.38 0.002 . 2 . . . . A 63 PRO HG2 . 34451 1 791 . 1 . 1 95 95 PRO HG3 H 1 0.681 0.001 . 2 . . . . A 63 PRO HG3 . 34451 1 792 . 1 . 1 95 95 PRO HD2 H 1 3.496 0.011 . 2 . . . . A 63 PRO HD2 . 34451 1 793 . 1 . 1 95 95 PRO HD3 H 1 3.473 0.014 . 2 . . . . A 63 PRO HD3 . 34451 1 794 . 1 . 1 95 95 PRO C C 13 175.834 0 . 1 . . . . A 63 PRO C . 34451 1 795 . 1 . 1 95 95 PRO CA C 13 63.448 0.16 . 1 . . . . A 63 PRO CA . 34451 1 796 . 1 . 1 95 95 PRO CB C 13 31.591 0.105 . 1 . . . . A 63 PRO CB . 34451 1 797 . 1 . 1 95 95 PRO CG C 13 25.57 0.106 . 1 . . . . A 63 PRO CG . 34451 1 798 . 1 . 1 95 95 PRO CD C 13 50.603 0.053 . 1 . . . . A 63 PRO CD . 34451 1 799 . 1 . 1 96 96 PHE H H 1 7.749 0.011 . 1 . . . . A 64 PHE H . 34451 1 800 . 1 . 1 96 96 PHE HA H 1 4.779 0.002 . 1 . . . . A 64 PHE HA . 34451 1 801 . 1 . 1 96 96 PHE HB2 H 1 2.946 0.004 . 2 . . . . A 64 PHE HB2 . 34451 1 802 . 1 . 1 96 96 PHE HB3 H 1 3.242 0.002 . 2 . . . . A 64 PHE HB3 . 34451 1 803 . 1 . 1 96 96 PHE HD1 H 1 7.141 0.005 . 1 . . . . A 64 PHE HD1 . 34451 1 804 . 1 . 1 96 96 PHE HD2 H 1 7.141 0.005 . 1 . . . . A 64 PHE HD2 . 34451 1 805 . 1 . 1 96 96 PHE HE1 H 1 7.151 0 . 1 . . . . A 64 PHE HE1 . 34451 1 806 . 1 . 1 96 96 PHE HE2 H 1 7.151 0 . 1 . . . . A 64 PHE HE2 . 34451 1 807 . 1 . 1 96 96 PHE C C 13 176.016 0 . 1 . . . . A 64 PHE C . 34451 1 808 . 1 . 1 96 96 PHE CA C 13 57.314 0.124 . 1 . . . . A 64 PHE CA . 34451 1 809 . 1 . 1 96 96 PHE CB C 13 37.872 0.085 . 1 . . . . A 64 PHE CB . 34451 1 810 . 1 . 1 96 96 PHE N N 15 115.681 0.05 . 1 . . . . A 64 PHE N . 34451 1 811 . 1 . 1 97 97 ALA H H 1 7.335 0.003 . 1 . . . . A 65 ALA H . 34451 1 812 . 1 . 1 97 97 ALA HA H 1 4.091 0.003 . 1 . . . . A 65 ALA HA . 34451 1 813 . 1 . 1 97 97 ALA HB1 H 1 1.382 0.012 . 1 . . . . A 65 ALA HB1 . 34451 1 814 . 1 . 1 97 97 ALA HB2 H 1 1.382 0.012 . 1 . . . . A 65 ALA HB2 . 34451 1 815 . 1 . 1 97 97 ALA HB3 H 1 1.382 0.012 . 1 . . . . A 65 ALA HB3 . 34451 1 816 . 1 . 1 97 97 ALA C C 13 177.912 0 . 1 . . . . A 65 ALA C . 34451 1 817 . 1 . 1 97 97 ALA CA C 13 53.903 0.172 . 1 . . . . A 65 ALA CA . 34451 1 818 . 1 . 1 97 97 ALA CB C 13 18.779 0.049 . 1 . . . . A 65 ALA CB . 34451 1 819 . 1 . 1 97 97 ALA N N 15 123.552 0.047 . 1 . . . . A 65 ALA N . 34451 1 820 . 1 . 1 98 98 ASP H H 1 8.004 0.003 . 1 . . . . A 66 ASP H . 34451 1 821 . 1 . 1 98 98 ASP HA H 1 4.588 0 . 1 . . . . A 66 ASP HA . 34451 1 822 . 1 . 1 98 98 ASP HB2 H 1 2.608 0.016 . 1 . . . . A 66 ASP HB2 . 34451 1 823 . 1 . 1 98 98 ASP HB3 H 1 2.608 0.016 . 1 . . . . A 66 ASP HB3 . 34451 1 824 . 1 . 1 98 98 ASP C C 13 175.756 0 . 1 . . . . A 66 ASP C . 34451 1 825 . 1 . 1 98 98 ASP CA C 13 54.341 0.081 . 1 . . . . A 66 ASP CA . 34451 1 826 . 1 . 1 98 98 ASP CB C 13 42.102 0.072 . 1 . . . . A 66 ASP CB . 34451 1 827 . 1 . 1 98 98 ASP N N 15 115.099 0.043 . 1 . . . . A 66 ASP N . 34451 1 828 . 1 . 1 99 99 ALA H H 1 8.15 0.019 . 1 . . . . A 67 ALA H . 34451 1 829 . 1 . 1 99 99 ALA HA H 1 4.164 0.001 . 1 . . . . A 67 ALA HA . 34451 1 830 . 1 . 1 99 99 ALA HB1 H 1 1.387 0.012 . 1 . . . . A 67 ALA HB1 . 34451 1 831 . 1 . 1 99 99 ALA HB2 H 1 1.387 0.012 . 1 . . . . A 67 ALA HB2 . 34451 1 832 . 1 . 1 99 99 ALA HB3 H 1 1.387 0.012 . 1 . . . . A 67 ALA HB3 . 34451 1 833 . 1 . 1 99 99 ALA C C 13 178.121 0 . 1 . . . . A 67 ALA C . 34451 1 834 . 1 . 1 99 99 ALA CA C 13 54.303 0.175 . 1 . . . . A 67 ALA CA . 34451 1 835 . 1 . 1 99 99 ALA CB C 13 19.229 0.175 . 1 . . . . A 67 ALA CB . 34451 1 836 . 1 . 1 99 99 ALA N N 15 123.475 0.102 . 1 . . . . A 67 ALA N . 34451 1 837 . 1 . 1 100 100 VAL H H 1 8.004 0.004 . 1 . . . . A 68 VAL H . 34451 1 838 . 1 . 1 100 100 VAL HA H 1 3.945 0.005 . 1 . . . . A 68 VAL HA . 34451 1 839 . 1 . 1 100 100 VAL HB H 1 1.691 0.012 . 1 . . . . A 68 VAL HB . 34451 1 840 . 1 . 1 100 100 VAL HG11 H 1 0.77 0.003 . 2 . . . . A 68 VAL HG11 . 34451 1 841 . 1 . 1 100 100 VAL HG12 H 1 0.77 0.003 . 2 . . . . A 68 VAL HG12 . 34451 1 842 . 1 . 1 100 100 VAL HG13 H 1 0.77 0.003 . 2 . . . . A 68 VAL HG13 . 34451 1 843 . 1 . 1 100 100 VAL HG21 H 1 0.76 0.015 . 2 . . . . A 68 VAL HG21 . 34451 1 844 . 1 . 1 100 100 VAL HG22 H 1 0.76 0.015 . 2 . . . . A 68 VAL HG22 . 34451 1 845 . 1 . 1 100 100 VAL HG23 H 1 0.76 0.015 . 2 . . . . A 68 VAL HG23 . 34451 1 846 . 1 . 1 100 100 VAL C C 13 175.66 0 . 1 . . . . A 68 VAL C . 34451 1 847 . 1 . 1 100 100 VAL CA C 13 62.218 0.131 . 1 . . . . A 68 VAL CA . 34451 1 848 . 1 . 1 100 100 VAL CB C 13 32.891 0.126 . 1 . . . . A 68 VAL CB . 34451 1 849 . 1 . 1 100 100 VAL CG1 C 13 21.141 0.015 . 1 . . . . A 68 VAL CG1 . 34451 1 850 . 1 . 1 100 100 VAL CG2 C 13 21.141 0.015 . 1 . . . . A 68 VAL CG2 . 34451 1 851 . 1 . 1 100 100 VAL N N 15 118.745 0.055 . 1 . . . . A 68 VAL N . 34451 1 852 . 1 . 1 101 101 ALA H H 1 8.36 0.006 . 1 . . . . A 69 ALA H . 34451 1 853 . 1 . 1 101 101 ALA HA H 1 4.469 0.002 . 1 . . . . A 69 ALA HA . 34451 1 854 . 1 . 1 101 101 ALA HB1 H 1 1.43 0.005 . 1 . . . . A 69 ALA HB1 . 34451 1 855 . 1 . 1 101 101 ALA HB2 H 1 1.43 0.005 . 1 . . . . A 69 ALA HB2 . 34451 1 856 . 1 . 1 101 101 ALA HB3 H 1 1.43 0.005 . 1 . . . . A 69 ALA HB3 . 34451 1 857 . 1 . 1 101 101 ALA C C 13 180.1 0.012 . 1 . . . . A 69 ALA C . 34451 1 858 . 1 . 1 101 101 ALA CA C 13 52.026 0.169 . 1 . . . . A 69 ALA CA . 34451 1 859 . 1 . 1 101 101 ALA CB C 13 19.146 0.149 . 1 . . . . A 69 ALA CB . 34451 1 860 . 1 . 1 101 101 ALA N N 15 126.757 0.054 . 1 . . . . A 69 ALA N . 34451 1 861 . 1 . 1 102 102 ILE H H 1 8.782 0.006 . 1 . . . . A 70 ILE H . 34451 1 862 . 1 . 1 102 102 ILE HA H 1 3.797 0.002 . 1 . . . . A 70 ILE HA . 34451 1 863 . 1 . 1 102 102 ILE HB H 1 1.736 0.002 . 1 . . . . A 70 ILE HB . 34451 1 864 . 1 . 1 102 102 ILE HG12 H 1 0.938 0.008 . 2 . . . . A 70 ILE HG12 . 34451 1 865 . 1 . 1 102 102 ILE HG13 H 1 1.209 0.021 . 2 . . . . A 70 ILE HG13 . 34451 1 866 . 1 . 1 102 102 ILE HG21 H 1 0.795 0.007 . 1 . . . . A 70 ILE HG21 . 34451 1 867 . 1 . 1 102 102 ILE HG22 H 1 0.795 0.007 . 1 . . . . A 70 ILE HG22 . 34451 1 868 . 1 . 1 102 102 ILE HG23 H 1 0.795 0.007 . 1 . . . . A 70 ILE HG23 . 34451 1 869 . 1 . 1 102 102 ILE HD11 H 1 0.519 0.004 . 1 . . . . A 70 ILE HD11 . 34451 1 870 . 1 . 1 102 102 ILE HD12 H 1 0.519 0.004 . 1 . . . . A 70 ILE HD12 . 34451 1 871 . 1 . 1 102 102 ILE HD13 H 1 0.519 0.004 . 1 . . . . A 70 ILE HD13 . 34451 1 872 . 1 . 1 102 102 ILE C C 13 177.02 0.007 . 1 . . . . A 70 ILE C . 34451 1 873 . 1 . 1 102 102 ILE CA C 13 63.374 0.014 . 1 . . . . A 70 ILE CA . 34451 1 874 . 1 . 1 102 102 ILE CB C 13 37.928 0.059 . 1 . . . . A 70 ILE CB . 34451 1 875 . 1 . 1 102 102 ILE CG1 C 13 28.671 0.026 . 1 . . . . A 70 ILE CG1 . 34451 1 876 . 1 . 1 102 102 ILE CG2 C 13 17.321 0.07 . 1 . . . . A 70 ILE CG2 . 34451 1 877 . 1 . 1 102 102 ILE CD1 C 13 13.045 0.055 . 1 . . . . A 70 ILE CD1 . 34451 1 878 . 1 . 1 102 102 ILE N N 15 123.89 0.049 . 1 . . . . A 70 ILE N . 34451 1 879 . 1 . 1 103 103 THR H H 1 7.438 0.008 . 1 . . . . A 71 THR H . 34451 1 880 . 1 . 1 103 103 THR HA H 1 4.077 0.004 . 1 . . . . A 71 THR HA . 34451 1 881 . 1 . 1 103 103 THR HB H 1 4.32 0.003 . 1 . . . . A 71 THR HB . 34451 1 882 . 1 . 1 103 103 THR HG21 H 1 1.234 0.003 . 1 . . . . A 71 THR HG21 . 34451 1 883 . 1 . 1 103 103 THR HG22 H 1 1.234 0.003 . 1 . . . . A 71 THR HG22 . 34451 1 884 . 1 . 1 103 103 THR HG23 H 1 1.234 0.003 . 1 . . . . A 71 THR HG23 . 34451 1 885 . 1 . 1 103 103 THR C C 13 175.185 0 . 1 . . . . A 71 THR C . 34451 1 886 . 1 . 1 103 103 THR CA C 13 63.005 0.142 . 1 . . . . A 71 THR CA . 34451 1 887 . 1 . 1 103 103 THR CB C 13 68.665 0.107 . 1 . . . . A 71 THR CB . 34451 1 888 . 1 . 1 103 103 THR CG2 C 13 21.899 0.053 . 1 . . . . A 71 THR CG2 . 34451 1 889 . 1 . 1 103 103 THR N N 15 110.341 0.034 . 1 . . . . A 71 THR N . 34451 1 890 . 1 . 1 104 104 SER H H 1 7.791 0.005 . 1 . . . . A 72 SER H . 34451 1 891 . 1 . 1 104 104 SER HA H 1 4.44 0.001 . 1 . . . . A 72 SER HA . 34451 1 892 . 1 . 1 104 104 SER HB2 H 1 3.932 0 . 1 . . . . A 72 SER HB2 . 34451 1 893 . 1 . 1 104 104 SER HB3 H 1 3.932 0 . 1 . . . . A 72 SER HB3 . 34451 1 894 . 1 . 1 104 104 SER C C 13 173.668 0 . 1 . . . . A 72 SER C . 34451 1 895 . 1 . 1 104 104 SER CA C 13 59.1 0.008 . 1 . . . . A 72 SER CA . 34451 1 896 . 1 . 1 104 104 SER CB C 13 64.065 0.083 . 1 . . . . A 72 SER CB . 34451 1 897 . 1 . 1 104 104 SER N N 15 115.657 0.047 . 1 . . . . A 72 SER N . 34451 1 898 . 1 . 1 105 105 ILE H H 1 7.39 0.004 . 1 . . . . A 73 ILE H . 34451 1 899 . 1 . 1 105 105 ILE HA H 1 4.052 0.001 . 1 . . . . A 73 ILE HA . 34451 1 900 . 1 . 1 105 105 ILE HB H 1 2.191 0.002 . 1 . . . . A 73 ILE HB . 34451 1 901 . 1 . 1 105 105 ILE HG12 H 1 1.47 0.003 . 2 . . . . A 73 ILE HG12 . 34451 1 902 . 1 . 1 105 105 ILE HG13 H 1 1.335 0.001 . 2 . . . . A 73 ILE HG13 . 34451 1 903 . 1 . 1 105 105 ILE HG21 H 1 0.899 0.001 . 1 . . . . A 73 ILE HG21 . 34451 1 904 . 1 . 1 105 105 ILE HG22 H 1 0.899 0.001 . 1 . . . . A 73 ILE HG22 . 34451 1 905 . 1 . 1 105 105 ILE HG23 H 1 0.899 0.001 . 1 . . . . A 73 ILE HG23 . 34451 1 906 . 1 . 1 105 105 ILE HD11 H 1 0.587 0.002 . 1 . . . . A 73 ILE HD11 . 34451 1 907 . 1 . 1 105 105 ILE HD12 H 1 0.587 0.002 . 1 . . . . A 73 ILE HD12 . 34451 1 908 . 1 . 1 105 105 ILE HD13 H 1 0.587 0.002 . 1 . . . . A 73 ILE HD13 . 34451 1 909 . 1 . 1 105 105 ILE C C 13 174.214 0.005 . 1 . . . . A 73 ILE C . 34451 1 910 . 1 . 1 105 105 ILE CA C 13 60.074 0.053 . 1 . . . . A 73 ILE CA . 34451 1 911 . 1 . 1 105 105 ILE CB C 13 35.617 0.157 . 1 . . . . A 73 ILE CB . 34451 1 912 . 1 . 1 105 105 ILE CG1 C 13 26.384 0.086 . 1 . . . . A 73 ILE CG1 . 34451 1 913 . 1 . 1 105 105 ILE CG2 C 13 18.711 0.031 . 1 . . . . A 73 ILE CG2 . 34451 1 914 . 1 . 1 105 105 ILE CD1 C 13 10.832 0.014 . 1 . . . . A 73 ILE CD1 . 34451 1 915 . 1 . 1 105 105 ILE N N 15 122.417 0.037 . 1 . . . . A 73 ILE N . 34451 1 916 . 1 . 1 106 106 VAL H H 1 9.167 0.006 . 1 . . . . A 74 VAL H . 34451 1 917 . 1 . 1 106 106 VAL HA H 1 4.315 0.004 . 1 . . . . A 74 VAL HA . 34451 1 918 . 1 . 1 106 106 VAL HB H 1 2.237 0.009 . 1 . . . . A 74 VAL HB . 34451 1 919 . 1 . 1 106 106 VAL HG11 H 1 0.956 0.002 . 2 . . . . A 74 VAL HG11 . 34451 1 920 . 1 . 1 106 106 VAL HG12 H 1 0.956 0.002 . 2 . . . . A 74 VAL HG12 . 34451 1 921 . 1 . 1 106 106 VAL HG13 H 1 0.956 0.002 . 2 . . . . A 74 VAL HG13 . 34451 1 922 . 1 . 1 106 106 VAL HG21 H 1 1.039 0.013 . 2 . . . . A 74 VAL HG21 . 34451 1 923 . 1 . 1 106 106 VAL HG22 H 1 1.039 0.013 . 2 . . . . A 74 VAL HG22 . 34451 1 924 . 1 . 1 106 106 VAL HG23 H 1 1.039 0.013 . 2 . . . . A 74 VAL HG23 . 34451 1 925 . 1 . 1 106 106 VAL C C 13 177.424 0.023 . 1 . . . . A 74 VAL C . 34451 1 926 . 1 . 1 106 106 VAL CA C 13 64.412 0.083 . 1 . . . . A 74 VAL CA . 34451 1 927 . 1 . 1 106 106 VAL CB C 13 34.021 0.124 . 1 . . . . A 74 VAL CB . 34451 1 928 . 1 . 1 106 106 VAL CG1 C 13 21.391 0 . 2 . . . . A 74 VAL CG1 . 34451 1 929 . 1 . 1 106 106 VAL CG2 C 13 21.217 0 . 2 . . . . A 74 VAL CG2 . 34451 1 930 . 1 . 1 106 106 VAL N N 15 128.325 0.029 . 1 . . . . A 74 VAL N . 34451 1 931 . 1 . 1 107 107 THR H H 1 8.801 0.005 . 1 . . . . A 75 THR H . 34451 1 932 . 1 . 1 107 107 THR HA H 1 5.127 0.005 . 1 . . . . A 75 THR HA . 34451 1 933 . 1 . 1 107 107 THR HB H 1 4.187 0.004 . 1 . . . . A 75 THR HB . 34451 1 934 . 1 . 1 107 107 THR HG21 H 1 1.077 0.001 . 1 . . . . A 75 THR HG21 . 34451 1 935 . 1 . 1 107 107 THR HG22 H 1 1.077 0.001 . 1 . . . . A 75 THR HG22 . 34451 1 936 . 1 . 1 107 107 THR HG23 H 1 1.077 0.001 . 1 . . . . A 75 THR HG23 . 34451 1 937 . 1 . 1 107 107 THR C C 13 175.521 0.01 . 1 . . . . A 75 THR C . 34451 1 938 . 1 . 1 107 107 THR CA C 13 58.683 0.165 . 1 . . . . A 75 THR CA . 34451 1 939 . 1 . 1 107 107 THR CB C 13 73.693 0.14 . 1 . . . . A 75 THR CB . 34451 1 940 . 1 . 1 107 107 THR CG2 C 13 21.836 0.017 . 1 . . . . A 75 THR CG2 . 34451 1 941 . 1 . 1 107 107 THR N N 15 111.828 0.034 . 1 . . . . A 75 THR N . 34451 1 942 . 1 . 1 108 108 VAL H H 1 8.012 0.017 . 1 . . . . A 76 VAL H . 34451 1 943 . 1 . 1 108 108 VAL HA H 1 3.43 0.002 . 1 . . . . A 76 VAL HA . 34451 1 944 . 1 . 1 108 108 VAL HB H 1 2.319 0.004 . 1 . . . . A 76 VAL HB . 34451 1 945 . 1 . 1 108 108 VAL HG11 H 1 0.641 0.005 . 2 . . . . A 76 VAL HG11 . 34451 1 946 . 1 . 1 108 108 VAL HG12 H 1 0.641 0.005 . 2 . . . . A 76 VAL HG12 . 34451 1 947 . 1 . 1 108 108 VAL HG13 H 1 0.641 0.005 . 2 . . . . A 76 VAL HG13 . 34451 1 948 . 1 . 1 108 108 VAL HG21 H 1 0.9 0.002 . 2 . . . . A 76 VAL HG21 . 34451 1 949 . 1 . 1 108 108 VAL HG22 H 1 0.9 0.002 . 2 . . . . A 76 VAL HG22 . 34451 1 950 . 1 . 1 108 108 VAL HG23 H 1 0.9 0.002 . 2 . . . . A 76 VAL HG23 . 34451 1 951 . 1 . 1 108 108 VAL CA C 13 67.038 0 . 1 . . . . A 76 VAL CA . 34451 1 952 . 1 . 1 108 108 VAL CB C 13 30.594 0 . 1 . . . . A 76 VAL CB . 34451 1 953 . 1 . 1 108 108 VAL CG1 C 13 22.938 0 . 2 . . . . A 76 VAL CG1 . 34451 1 954 . 1 . 1 108 108 VAL CG2 C 13 21.476 0 . 2 . . . . A 76 VAL CG2 . 34451 1 955 . 1 . 1 108 108 VAL N N 15 120.238 0.149 . 1 . . . . A 76 VAL N . 34451 1 956 . 1 . 1 109 109 ALA H H 1 8.079 0.004 . 1 . . . . A 77 ALA H . 34451 1 957 . 1 . 1 109 109 ALA HA H 1 3.984 0 . 1 . . . . A 77 ALA HA . 34451 1 958 . 1 . 1 109 109 ALA HB1 H 1 1.434 0 . 1 . . . . A 77 ALA HB1 . 34451 1 959 . 1 . 1 109 109 ALA HB2 H 1 1.434 0 . 1 . . . . A 77 ALA HB2 . 34451 1 960 . 1 . 1 109 109 ALA HB3 H 1 1.434 0 . 1 . . . . A 77 ALA HB3 . 34451 1 961 . 1 . 1 109 109 ALA C C 13 179.167 0 . 1 . . . . A 77 ALA C . 34451 1 962 . 1 . 1 109 109 ALA CA C 13 55.648 0.061 . 1 . . . . A 77 ALA CA . 34451 1 963 . 1 . 1 109 109 ALA CB C 13 18.347 0.085 . 1 . . . . A 77 ALA CB . 34451 1 964 . 1 . 1 109 109 ALA N N 15 121.4 0.08 . 1 . . . . A 77 ALA N . 34451 1 965 . 1 . 1 110 110 ASP H H 1 7.846 0.01 . 1 . . . . A 78 ASP H . 34451 1 966 . 1 . 1 110 110 ASP HA H 1 4.353 0 . 1 . . . . A 78 ASP HA . 34451 1 967 . 1 . 1 110 110 ASP HB2 H 1 2.868 0.002 . 2 . . . . A 78 ASP HB2 . 34451 1 968 . 1 . 1 110 110 ASP HB3 H 1 3.408 0.004 . 2 . . . . A 78 ASP HB3 . 34451 1 969 . 1 . 1 110 110 ASP C C 13 178.745 0 . 1 . . . . A 78 ASP C . 34451 1 970 . 1 . 1 110 110 ASP CA C 13 57.54 0 . 1 . . . . A 78 ASP CA . 34451 1 971 . 1 . 1 110 110 ASP CB C 13 41.77 0 . 1 . . . . A 78 ASP CB . 34451 1 972 . 1 . 1 110 110 ASP N N 15 117.334 0.048 . 1 . . . . A 78 ASP N . 34451 1 973 . 1 . 1 111 111 LEU H H 1 7.622 0.005 . 1 . . . . A 79 LEU H . 34451 1 974 . 1 . 1 111 111 LEU HA H 1 4.32 0.004 . 1 . . . . A 79 LEU HA . 34451 1 975 . 1 . 1 111 111 LEU HB2 H 1 1.654 0.001 . 2 . . . . A 79 LEU HB2 . 34451 1 976 . 1 . 1 111 111 LEU HB3 H 1 2.383 0.001 . 2 . . . . A 79 LEU HB3 . 34451 1 977 . 1 . 1 111 111 LEU HG H 1 1.816 0 . 1 . . . . A 79 LEU HG . 34451 1 978 . 1 . 1 111 111 LEU HD11 H 1 1.122 0.001 . 2 . . . . A 79 LEU HD11 . 34451 1 979 . 1 . 1 111 111 LEU HD12 H 1 1.122 0.001 . 2 . . . . A 79 LEU HD12 . 34451 1 980 . 1 . 1 111 111 LEU HD13 H 1 1.122 0.001 . 2 . . . . A 79 LEU HD13 . 34451 1 981 . 1 . 1 111 111 LEU HD21 H 1 0.962 0.001 . 2 . . . . A 79 LEU HD21 . 34451 1 982 . 1 . 1 111 111 LEU HD22 H 1 0.962 0.001 . 2 . . . . A 79 LEU HD22 . 34451 1 983 . 1 . 1 111 111 LEU HD23 H 1 0.962 0.001 . 2 . . . . A 79 LEU HD23 . 34451 1 984 . 1 . 1 111 111 LEU C C 13 177.297 0 . 1 . . . . A 79 LEU C . 34451 1 985 . 1 . 1 111 111 LEU CA C 13 57.64 0.052 . 1 . . . . A 79 LEU CA . 34451 1 986 . 1 . 1 111 111 LEU CB C 13 42.386 0.065 . 1 . . . . A 79 LEU CB . 34451 1 987 . 1 . 1 111 111 LEU CG C 13 27.075 0 . 1 . . . . A 79 LEU CG . 34451 1 988 . 1 . 1 111 111 LEU CD1 C 13 24.624 0.058 . 2 . . . . A 79 LEU CD1 . 34451 1 989 . 1 . 1 111 111 LEU CD2 C 13 27.41 0.008 . 2 . . . . A 79 LEU CD2 . 34451 1 990 . 1 . 1 111 111 LEU N N 15 120.384 0.035 . 1 . . . . A 79 LEU N . 34451 1 991 . 1 . 1 112 112 ALA H H 1 8.658 0.004 . 1 . . . . A 80 ALA H . 34451 1 992 . 1 . 1 112 112 ALA HA H 1 4.034 0.007 . 1 . . . . A 80 ALA HA . 34451 1 993 . 1 . 1 112 112 ALA HB1 H 1 1.335 0.004 . 1 . . . . A 80 ALA HB1 . 34451 1 994 . 1 . 1 112 112 ALA HB2 H 1 1.335 0.004 . 1 . . . . A 80 ALA HB2 . 34451 1 995 . 1 . 1 112 112 ALA HB3 H 1 1.335 0.004 . 1 . . . . A 80 ALA HB3 . 34451 1 996 . 1 . 1 112 112 ALA C C 13 179.272 0 . 1 . . . . A 80 ALA C . 34451 1 997 . 1 . 1 112 112 ALA CA C 13 55.107 0.01 . 1 . . . . A 80 ALA CA . 34451 1 998 . 1 . 1 112 112 ALA CB C 13 17.629 0.154 . 1 . . . . A 80 ALA CB . 34451 1 999 . 1 . 1 112 112 ALA N N 15 119.049 0.087 . 1 . . . . A 80 ALA N . 34451 1 1000 . 1 . 1 113 113 ARG H H 1 8.712 0.004 . 1 . . . . A 81 ARG H . 34451 1 1001 . 1 . 1 113 113 ARG HA H 1 3.805 0.002 . 1 . . . . A 81 ARG HA . 34451 1 1002 . 1 . 1 113 113 ARG HB2 H 1 1.959 0.001 . 2 . . . . A 81 ARG HB2 . 34451 1 1003 . 1 . 1 113 113 ARG HB3 H 1 1.795 0.001 . 2 . . . . A 81 ARG HB3 . 34451 1 1004 . 1 . 1 113 113 ARG HG2 H 1 1.74 0.005 . 2 . . . . A 81 ARG HG2 . 34451 1 1005 . 1 . 1 113 113 ARG HG3 H 1 1.557 0.003 . 2 . . . . A 81 ARG HG3 . 34451 1 1006 . 1 . 1 113 113 ARG HD2 H 1 3.135 0.003 . 2 . . . . A 81 ARG HD2 . 34451 1 1007 . 1 . 1 113 113 ARG HD3 H 1 3.235 0.02 . 2 . . . . A 81 ARG HD3 . 34451 1 1008 . 1 . 1 113 113 ARG C C 13 177.908 0 . 1 . . . . A 81 ARG C . 34451 1 1009 . 1 . 1 113 113 ARG CA C 13 59.697 0.124 . 1 . . . . A 81 ARG CA . 34451 1 1010 . 1 . 1 113 113 ARG CB C 13 30.257 0.105 . 1 . . . . A 81 ARG CB . 34451 1 1011 . 1 . 1 113 113 ARG CG C 13 28.544 0.122 . 1 . . . . A 81 ARG CG . 34451 1 1012 . 1 . 1 113 113 ARG CD C 13 43.177 0 . 1 . . . . A 81 ARG CD . 34451 1 1013 . 1 . 1 113 113 ARG N N 15 116.077 0.054 . 1 . . . . A 81 ARG N . 34451 1 1014 . 1 . 1 114 114 ALA H H 1 7.314 0.003 . 1 . . . . A 82 ALA H . 34451 1 1015 . 1 . 1 114 114 ALA HA H 1 3.875 0.005 . 1 . . . . A 82 ALA HA . 34451 1 1016 . 1 . 1 114 114 ALA HB1 H 1 1.158 0.004 . 1 . . . . A 82 ALA HB1 . 34451 1 1017 . 1 . 1 114 114 ALA HB2 H 1 1.158 0.004 . 1 . . . . A 82 ALA HB2 . 34451 1 1018 . 1 . 1 114 114 ALA HB3 H 1 1.158 0.004 . 1 . . . . A 82 ALA HB3 . 34451 1 1019 . 1 . 1 114 114 ALA C C 13 178.903 0.003 . 1 . . . . A 82 ALA C . 34451 1 1020 . 1 . 1 114 114 ALA CA C 13 54.494 0.176 . 1 . . . . A 82 ALA CA . 34451 1 1021 . 1 . 1 114 114 ALA CB C 13 17.902 0.158 . 1 . . . . A 82 ALA CB . 34451 1 1022 . 1 . 1 114 114 ALA N N 15 119.599 0.046 . 1 . . . . A 82 ALA N . 34451 1 1023 . 1 . 1 115 115 TYR H H 1 7.145 0.003 . 1 . . . . A 83 TYR H . 34451 1 1024 . 1 . 1 115 115 TYR HA H 1 3.879 0.004 . 1 . . . . A 83 TYR HA . 34451 1 1025 . 1 . 1 115 115 TYR HB2 H 1 2.363 0.004 . 2 . . . . A 83 TYR HB2 . 34451 1 1026 . 1 . 1 115 115 TYR HB3 H 1 2.367 0 . 2 . . . . A 83 TYR HB3 . 34451 1 1027 . 1 . 1 115 115 TYR HD1 H 1 6.974 0.01 . 1 . . . . A 83 TYR HD1 . 34451 1 1028 . 1 . 1 115 115 TYR HD2 H 1 6.974 0.01 . 1 . . . . A 83 TYR HD2 . 34451 1 1029 . 1 . 1 115 115 TYR HE1 H 1 6.693 0.008 . 1 . . . . A 83 TYR HE1 . 34451 1 1030 . 1 . 1 115 115 TYR HE2 H 1 6.693 0.008 . 1 . . . . A 83 TYR HE2 . 34451 1 1031 . 1 . 1 115 115 TYR C C 13 176.844 0 . 1 . . . . A 83 TYR C . 34451 1 1032 . 1 . 1 115 115 TYR CA C 13 61.07 0.025 . 1 . . . . A 83 TYR CA . 34451 1 1033 . 1 . 1 115 115 TYR CB C 13 38.666 0.09 . 1 . . . . A 83 TYR CB . 34451 1 1034 . 1 . 1 115 115 TYR CD1 C 13 132.493 0 . 1 . . . . A 83 TYR CD1 . 34451 1 1035 . 1 . 1 115 115 TYR CD2 C 13 132.493 0 . 1 . . . . A 83 TYR CD2 . 34451 1 1036 . 1 . 1 115 115 TYR CE1 C 13 118.073 0 . 1 . . . . A 83 TYR CE1 . 34451 1 1037 . 1 . 1 115 115 TYR CE2 C 13 118.073 0 . 1 . . . . A 83 TYR CE2 . 34451 1 1038 . 1 . 1 115 115 TYR N N 15 113.466 0.036 . 1 . . . . A 83 TYR N . 34451 1 1039 . 1 . 1 116 116 ALA H H 1 8.034 0.029 . 1 . . . . A 84 ALA H . 34451 1 1040 . 1 . 1 116 116 ALA HA H 1 4.043 0.011 . 1 . . . . A 84 ALA HA . 34451 1 1041 . 1 . 1 116 116 ALA HB1 H 1 1.348 0.004 . 1 . . . . A 84 ALA HB1 . 34451 1 1042 . 1 . 1 116 116 ALA HB2 H 1 1.348 0.004 . 1 . . . . A 84 ALA HB2 . 34451 1 1043 . 1 . 1 116 116 ALA HB3 H 1 1.348 0.004 . 1 . . . . A 84 ALA HB3 . 34451 1 1044 . 1 . 1 116 116 ALA C C 13 178.081 0 . 1 . . . . A 84 ALA C . 34451 1 1045 . 1 . 1 116 116 ALA CA C 13 53.538 0.145 . 1 . . . . A 84 ALA CA . 34451 1 1046 . 1 . 1 116 116 ALA CB C 13 19.283 0.01 . 1 . . . . A 84 ALA CB . 34451 1 1047 . 1 . 1 116 116 ALA N N 15 121.918 0.139 . 1 . . . . A 84 ALA N . 34451 1 1048 . 1 . 1 117 117 GLN H H 1 7.91 0.003 . 1 . . . . A 85 GLN H . 34451 1 1049 . 1 . 1 117 117 GLN HA H 1 4.131 0.005 . 1 . . . . A 85 GLN HA . 34451 1 1050 . 1 . 1 117 117 GLN HB2 H 1 1.999 0 . 1 . . . . A 85 GLN HB2 . 34451 1 1051 . 1 . 1 117 117 GLN HB3 H 1 1.999 0 . 1 . . . . A 85 GLN HB3 . 34451 1 1052 . 1 . 1 117 117 GLN HG2 H 1 2.297 0.009 . 1 . . . . A 85 GLN HG2 . 34451 1 1053 . 1 . 1 117 117 GLN HG3 H 1 2.297 0.009 . 1 . . . . A 85 GLN HG3 . 34451 1 1054 . 1 . 1 117 117 GLN HE21 H 1 7.404 0.003 . 1 . . . . A 85 GLN HE21 . 34451 1 1055 . 1 . 1 117 117 GLN HE22 H 1 6.763 0 . 1 . . . . A 85 GLN HE22 . 34451 1 1056 . 1 . 1 117 117 GLN C C 13 176.143 0 . 1 . . . . A 85 GLN C . 34451 1 1057 . 1 . 1 117 117 GLN CA C 13 56.465 0.155 . 1 . . . . A 85 GLN CA . 34451 1 1058 . 1 . 1 117 117 GLN CB C 13 28.756 0.045 . 1 . . . . A 85 GLN CB . 34451 1 1059 . 1 . 1 117 117 GLN CG C 13 33.728 0.122 . 1 . . . . A 85 GLN CG . 34451 1 1060 . 1 . 1 117 117 GLN N N 15 115.961 0.07 . 1 . . . . A 85 GLN N . 34451 1 1061 . 1 . 1 117 117 GLN NE2 N 15 111.569 0.031 . 1 . . . . A 85 GLN NE2 . 34451 1 1062 . 1 . 1 118 118 GLN H H 1 7.753 0.006 . 1 . . . . A 86 GLN H . 34451 1 1063 . 1 . 1 118 118 GLN HA H 1 4.238 0.004 . 1 . . . . A 86 GLN HA . 34451 1 1064 . 1 . 1 118 118 GLN HB2 H 1 1.952 0 . 2 . . . . A 86 GLN HB2 . 34451 1 1065 . 1 . 1 118 118 GLN HB3 H 1 2.122 0 . 2 . . . . A 86 GLN HB3 . 34451 1 1066 . 1 . 1 118 118 GLN HG2 H 1 2.28 0 . 1 . . . . A 86 GLN HG2 . 34451 1 1067 . 1 . 1 118 118 GLN HG3 H 1 2.28 0 . 1 . . . . A 86 GLN HG3 . 34451 1 1068 . 1 . 1 118 118 GLN HE21 H 1 7.503 0.003 . 1 . . . . A 86 GLN HE21 . 34451 1 1069 . 1 . 1 118 118 GLN HE22 H 1 6.761 0.002 . 1 . . . . A 86 GLN HE22 . 34451 1 1070 . 1 . 1 118 118 GLN C C 13 176.277 0.002 . 1 . . . . A 86 GLN C . 34451 1 1071 . 1 . 1 118 118 GLN CA C 13 55.808 0.074 . 1 . . . . A 86 GLN CA . 34451 1 1072 . 1 . 1 118 118 GLN CB C 13 29.09 0.146 . 1 . . . . A 86 GLN CB . 34451 1 1073 . 1 . 1 118 118 GLN CG C 13 33.535 0.037 . 1 . . . . A 86 GLN CG . 34451 1 1074 . 1 . 1 118 118 GLN N N 15 118.591 0.049 . 1 . . . . A 86 GLN N . 34451 1 1075 . 1 . 1 118 118 GLN NE2 N 15 112.148 0.012 . 1 . . . . A 86 GLN NE2 . 34451 1 1076 . 1 . 1 119 119 GLY H H 1 8.073 0.006 . 1 . . . . A 87 GLY H . 34451 1 1077 . 1 . 1 119 119 GLY HA2 H 1 3.898 0 . 1 . . . . A 87 GLY HA2 . 34451 1 1078 . 1 . 1 119 119 GLY HA3 H 1 3.898 0 . 1 . . . . A 87 GLY HA3 . 34451 1 1079 . 1 . 1 119 119 GLY C C 13 173.357 0 . 1 . . . . A 87 GLY C . 34451 1 1080 . 1 . 1 119 119 GLY CA C 13 45.051 0.018 . 1 . . . . A 87 GLY CA . 34451 1 1081 . 1 . 1 119 119 GLY N N 15 108.845 0.072 . 1 . . . . A 87 GLY N . 34451 1 1082 . 1 . 1 120 120 VAL H H 1 7.936 0.03 . 1 . . . . A 88 VAL H . 34451 1 1083 . 1 . 1 120 120 VAL HA H 1 4.438 0.005 . 1 . . . . A 88 VAL HA . 34451 1 1084 . 1 . 1 120 120 VAL HB H 1 2.044 0.005 . 1 . . . . A 88 VAL HB . 34451 1 1085 . 1 . 1 120 120 VAL HG11 H 1 0.83 0.015 . 2 . . . . A 88 VAL HG11 . 34451 1 1086 . 1 . 1 120 120 VAL HG12 H 1 0.83 0.015 . 2 . . . . A 88 VAL HG12 . 34451 1 1087 . 1 . 1 120 120 VAL HG13 H 1 0.83 0.015 . 2 . . . . A 88 VAL HG13 . 34451 1 1088 . 1 . 1 120 120 VAL HG21 H 1 0.866 0 . 2 . . . . A 88 VAL HG21 . 34451 1 1089 . 1 . 1 120 120 VAL HG22 H 1 0.866 0 . 2 . . . . A 88 VAL HG22 . 34451 1 1090 . 1 . 1 120 120 VAL HG23 H 1 0.866 0 . 2 . . . . A 88 VAL HG23 . 34451 1 1091 . 1 . 1 120 120 VAL C C 13 174.426 0 . 1 . . . . A 88 VAL C . 34451 1 1092 . 1 . 1 120 120 VAL CA C 13 59.418 0.098 . 1 . . . . A 88 VAL CA . 34451 1 1093 . 1 . 1 120 120 VAL CB C 13 32.546 0 . 1 . . . . A 88 VAL CB . 34451 1 1094 . 1 . 1 120 120 VAL CG1 C 13 19.689 0 . 2 . . . . A 88 VAL CG1 . 34451 1 1095 . 1 . 1 120 120 VAL CG2 C 13 20.923 0 . 2 . . . . A 88 VAL CG2 . 34451 1 1096 . 1 . 1 120 120 VAL N N 15 119.977 0.163 . 1 . . . . A 88 VAL N . 34451 1 1097 . 1 . 1 121 121 PRO HA H 1 4.42 0.013 . 1 . . . . A 89 PRO HA . 34451 1 1098 . 1 . 1 121 121 PRO HB2 H 1 2.245 0.02 . 2 . . . . A 89 PRO HB2 . 34451 1 1099 . 1 . 1 121 121 PRO HB3 H 1 1.888 0 . 2 . . . . A 89 PRO HB3 . 34451 1 1100 . 1 . 1 121 121 PRO HD2 H 1 3.674 0.002 . 2 . . . . A 89 PRO HD2 . 34451 1 1101 . 1 . 1 121 121 PRO HD3 H 1 3.855 0.009 . 2 . . . . A 89 PRO HD3 . 34451 1 1102 . 1 . 1 121 121 PRO C C 13 177.121 0 . 1 . . . . A 89 PRO C . 34451 1 1103 . 1 . 1 121 121 PRO CA C 13 63.268 0.052 . 1 . . . . A 89 PRO CA . 34451 1 1104 . 1 . 1 121 121 PRO CB C 13 32.018 0.155 . 1 . . . . A 89 PRO CB . 34451 1 1105 . 1 . 1 121 121 PRO CG C 13 27.387 0 . 1 . . . . A 89 PRO CG . 34451 1 1106 . 1 . 1 121 121 PRO CD C 13 50.697 0.051 . 1 . . . . A 89 PRO CD . 34451 1 1107 . 1 . 1 122 122 GLY H H 1 8.258 0.006 . 1 . . . . A 90 GLY H . 34451 1 1108 . 1 . 1 122 122 GLY HA2 H 1 3.913 0 . 2 . . . . A 90 GLY HA2 . 34451 1 1109 . 1 . 1 122 122 GLY HA3 H 1 4.183 0 . 2 . . . . A 90 GLY HA3 . 34451 1 1110 . 1 . 1 122 122 GLY CA C 13 44.376 0 . 1 . . . . A 90 GLY CA . 34451 1 1111 . 1 . 1 122 122 GLY N N 15 108.965 0.043 . 1 . . . . A 90 GLY N . 34451 1 1112 . 1 . 1 123 123 PRO HA H 1 4.42 0.003 . 1 . . . . A 91 PRO HA . 34451 1 1113 . 1 . 1 123 123 PRO HB2 H 1 2.218 0 . 1 . . . . A 91 PRO HB2 . 34451 1 1114 . 1 . 1 123 123 PRO HG2 H 1 1.932 0 . 1 . . . . A 91 PRO HG2 . 34451 1 1115 . 1 . 1 123 123 PRO HD2 H 1 3.565 0.007 . 2 . . . . A 91 PRO HD2 . 34451 1 1116 . 1 . 1 123 123 PRO HD3 H 1 3.559 0 . 2 . . . . A 91 PRO HD3 . 34451 1 1117 . 1 . 1 123 123 PRO C C 13 176.999 0 . 1 . . . . A 91 PRO C . 34451 1 1118 . 1 . 1 123 123 PRO CA C 13 62.823 0.044 . 1 . . . . A 91 PRO CA . 34451 1 1119 . 1 . 1 123 123 PRO CB C 13 32.146 0.021 . 1 . . . . A 91 PRO CB . 34451 1 1120 . 1 . 1 123 123 PRO CG C 13 27.098 0 . 1 . . . . A 91 PRO CG . 34451 1 1121 . 1 . 1 123 123 PRO CD C 13 49.395 0.06 . 1 . . . . A 91 PRO CD . 34451 1 1122 . 1 . 1 124 124 SER H H 1 8.487 0.015 . 1 . . . . A 92 SER H . 34451 1 1123 . 1 . 1 124 124 SER HA H 1 4.715 0.001 . 1 . . . . A 92 SER HA . 34451 1 1124 . 1 . 1 124 124 SER HB2 H 1 3.825 0.009 . 2 . . . . A 92 SER HB2 . 34451 1 1125 . 1 . 1 124 124 SER HB3 H 1 3.795 0 . 2 . . . . A 92 SER HB3 . 34451 1 1126 . 1 . 1 124 124 SER C C 13 172.74 0 . 1 . . . . A 92 SER C . 34451 1 1127 . 1 . 1 124 124 SER CA C 13 56.331 0.056 . 1 . . . . A 92 SER CA . 34451 1 1128 . 1 . 1 124 124 SER CB C 13 63.395 0 . 1 . . . . A 92 SER CB . 34451 1 1129 . 1 . 1 124 124 SER N N 15 118.001 0.094 . 1 . . . . A 92 SER N . 34451 1 1130 . 1 . 1 125 125 PRO HA H 1 4.399 0.005 . 1 . . . . A 93 PRO HA . 34451 1 1131 . 1 . 1 125 125 PRO HB2 H 1 1.861 0 . 2 . . . . A 93 PRO HB2 . 34451 1 1132 . 1 . 1 125 125 PRO HB3 H 1 2.215 0 . 2 . . . . A 93 PRO HB3 . 34451 1 1133 . 1 . 1 125 125 PRO HG2 H 1 1.953 0 . 1 . . . . A 93 PRO HG2 . 34451 1 1134 . 1 . 1 125 125 PRO HG3 H 1 1.953 0 . 1 . . . . A 93 PRO HG3 . 34451 1 1135 . 1 . 1 125 125 PRO HD2 H 1 3.688 0 . 2 . . . . A 93 PRO HD2 . 34451 1 1136 . 1 . 1 125 125 PRO HD3 H 1 3.794 0 . 2 . . . . A 93 PRO HD3 . 34451 1 1137 . 1 . 1 125 125 PRO C C 13 176.261 0.005 . 1 . . . . A 93 PRO C . 34451 1 1138 . 1 . 1 125 125 PRO CA C 13 62.868 0.132 . 1 . . . . A 93 PRO CA . 34451 1 1139 . 1 . 1 125 125 PRO CB C 13 31.902 0.059 . 1 . . . . A 93 PRO CB . 34451 1 1140 . 1 . 1 125 125 PRO CG C 13 27.188 0 . 1 . . . . A 93 PRO CG . 34451 1 1141 . 1 . 1 125 125 PRO CD C 13 50.507 0 . 1 . . . . A 93 PRO CD . 34451 1 1142 . 1 . 1 126 126 ASP H H 1 8.395 0.003 . 1 . . . . A 94 ASP H . 34451 1 1143 . 1 . 1 126 126 ASP HA H 1 4.802 0.021 . 1 . . . . A 94 ASP HA . 34451 1 1144 . 1 . 1 126 126 ASP HB2 H 1 2.48 0 . 2 . . . . A 94 ASP HB2 . 34451 1 1145 . 1 . 1 126 126 ASP HB3 H 1 2.71 0 . 2 . . . . A 94 ASP HB3 . 34451 1 1146 . 1 . 1 126 126 ASP C C 13 175.033 0 . 1 . . . . A 94 ASP C . 34451 1 1147 . 1 . 1 126 126 ASP CA C 13 52.35 0 . 1 . . . . A 94 ASP CA . 34451 1 1148 . 1 . 1 126 126 ASP CB C 13 41.236 0 . 1 . . . . A 94 ASP CB . 34451 1 1149 . 1 . 1 126 126 ASP N N 15 122.757 0.04 . 1 . . . . A 94 ASP N . 34451 1 1150 . 1 . 1 127 127 PRO HA H 1 4.352 0.002 . 1 . . . . A 95 PRO HA . 34451 1 1151 . 1 . 1 127 127 PRO HD2 H 1 3.744 0.014 . 2 . . . . A 95 PRO HD2 . 34451 1 1152 . 1 . 1 127 127 PRO HD3 H 1 3.846 0.012 . 2 . . . . A 95 PRO HD3 . 34451 1 1153 . 1 . 1 127 127 PRO C C 13 177.423 0 . 1 . . . . A 95 PRO C . 34451 1 1154 . 1 . 1 127 127 PRO CA C 13 63.529 0.134 . 1 . . . . A 95 PRO CA . 34451 1 1155 . 1 . 1 127 127 PRO CB C 13 32.097 0.019 . 1 . . . . A 95 PRO CB . 34451 1 1156 . 1 . 1 127 127 PRO CG C 13 27.267 0 . 1 . . . . A 95 PRO CG . 34451 1 1157 . 1 . 1 127 127 PRO CD C 13 50.523 0.055 . 1 . . . . A 95 PRO CD . 34451 1 1158 . 1 . 1 128 128 LEU H H 1 8.4 0.023 . 1 . . . . A 96 LEU H . 34451 1 1159 . 1 . 1 128 128 LEU HA H 1 4.216 0.009 . 1 . . . . A 96 LEU HA . 34451 1 1160 . 1 . 1 128 128 LEU HB2 H 1 1.532 0.006 . 2 . . . . A 96 LEU HB2 . 34451 1 1161 . 1 . 1 128 128 LEU HB3 H 1 1.652 0.004 . 2 . . . . A 96 LEU HB3 . 34451 1 1162 . 1 . 1 128 128 LEU HG H 1 1.542 0 . 1 . . . . A 96 LEU HG . 34451 1 1163 . 1 . 1 128 128 LEU HD11 H 1 0.817 0 . 2 . . . . A 96 LEU HD11 . 34451 1 1164 . 1 . 1 128 128 LEU HD12 H 1 0.817 0 . 2 . . . . A 96 LEU HD12 . 34451 1 1165 . 1 . 1 128 128 LEU HD13 H 1 0.817 0 . 2 . . . . A 96 LEU HD13 . 34451 1 1166 . 1 . 1 128 128 LEU HD21 H 1 0.867 0 . 2 . . . . A 96 LEU HD21 . 34451 1 1167 . 1 . 1 128 128 LEU HD22 H 1 0.867 0 . 2 . . . . A 96 LEU HD22 . 34451 1 1168 . 1 . 1 128 128 LEU HD23 H 1 0.867 0 . 2 . . . . A 96 LEU HD23 . 34451 1 1169 . 1 . 1 128 128 LEU C C 13 177.668 0.028 . 1 . . . . A 96 LEU C . 34451 1 1170 . 1 . 1 128 128 LEU CA C 13 55.623 0.041 . 1 . . . . A 96 LEU CA . 34451 1 1171 . 1 . 1 128 128 LEU CB C 13 41.584 0.097 . 1 . . . . A 96 LEU CB . 34451 1 1172 . 1 . 1 128 128 LEU CG C 13 27.063 0 . 1 . . . . A 96 LEU CG . 34451 1 1173 . 1 . 1 128 128 LEU CD1 C 13 23.047 0 . 2 . . . . A 96 LEU CD1 . 34451 1 1174 . 1 . 1 128 128 LEU CD2 C 13 24.723 0 . 2 . . . . A 96 LEU CD2 . 34451 1 1175 . 1 . 1 128 128 LEU N N 15 120.625 0.119 . 1 . . . . A 96 LEU N . 34451 1 1176 . 1 . 1 129 129 ASP H H 1 8.005 0.003 . 1 . . . . A 97 ASP H . 34451 1 1177 . 1 . 1 129 129 ASP HA H 1 4.464 0.006 . 1 . . . . A 97 ASP HA . 34451 1 1178 . 1 . 1 129 129 ASP HB2 H 1 2.659 0.001 . 1 . . . . A 97 ASP HB2 . 34451 1 1179 . 1 . 1 129 129 ASP HB3 H 1 2.659 0.001 . 1 . . . . A 97 ASP HB3 . 34451 1 1180 . 1 . 1 129 129 ASP C C 13 176.726 0.006 . 1 . . . . A 97 ASP C . 34451 1 1181 . 1 . 1 129 129 ASP CA C 13 54.884 0.095 . 1 . . . . A 97 ASP CA . 34451 1 1182 . 1 . 1 129 129 ASP CB C 13 41.119 0.025 . 1 . . . . A 97 ASP CB . 34451 1 1183 . 1 . 1 129 129 ASP N N 15 120.252 0.063 . 1 . . . . A 97 ASP N . 34451 1 1184 . 1 . 1 130 130 ALA H H 1 8.098 0.018 . 1 . . . . A 98 ALA H . 34451 1 1185 . 1 . 1 130 130 ALA HA H 1 4.14 0.013 . 1 . . . . A 98 ALA HA . 34451 1 1186 . 1 . 1 130 130 ALA HB1 H 1 1.376 0.003 . 1 . . . . A 98 ALA HB1 . 34451 1 1187 . 1 . 1 130 130 ALA HB2 H 1 1.376 0.003 . 1 . . . . A 98 ALA HB2 . 34451 1 1188 . 1 . 1 130 130 ALA HB3 H 1 1.376 0.003 . 1 . . . . A 98 ALA HB3 . 34451 1 1189 . 1 . 1 130 130 ALA C C 13 178.336 0.005 . 1 . . . . A 98 ALA C . 34451 1 1190 . 1 . 1 130 130 ALA CA C 13 53.641 0.015 . 1 . . . . A 98 ALA CA . 34451 1 1191 . 1 . 1 130 130 ALA CB C 13 18.822 0.141 . 1 . . . . A 98 ALA CB . 34451 1 1192 . 1 . 1 130 130 ALA N N 15 124.02 0.158 . 1 . . . . A 98 ALA N . 34451 1 1193 . 1 . 1 131 131 GLN H H 1 8.187 0.005 . 1 . . . . A 99 GLN H . 34451 1 1194 . 1 . 1 131 131 GLN HA H 1 4.198 0 . 1 . . . . A 99 GLN HA . 34451 1 1195 . 1 . 1 131 131 GLN HB2 H 1 2.029 0 . 1 . . . . A 99 GLN HB2 . 34451 1 1196 . 1 . 1 131 131 GLN HB3 H 1 2.029 0 . 1 . . . . A 99 GLN HB3 . 34451 1 1197 . 1 . 1 131 131 GLN HG2 H 1 2.345 0 . 1 . . . . A 99 GLN HG2 . 34451 1 1198 . 1 . 1 131 131 GLN HG3 H 1 2.345 0 . 1 . . . . A 99 GLN HG3 . 34451 1 1199 . 1 . 1 131 131 GLN HE21 H 1 7.524 0.002 . 1 . . . . A 99 GLN HE21 . 34451 1 1200 . 1 . 1 131 131 GLN HE22 H 1 6.822 0.002 . 1 . . . . A 99 GLN HE22 . 34451 1 1201 . 1 . 1 131 131 GLN C C 13 176.608 0 . 1 . . . . A 99 GLN C . 34451 1 1202 . 1 . 1 131 131 GLN CA C 13 56.529 0.042 . 1 . . . . A 99 GLN CA . 34451 1 1203 . 1 . 1 131 131 GLN CB C 13 28.905 0.013 . 1 . . . . A 99 GLN CB . 34451 1 1204 . 1 . 1 131 131 GLN CG C 13 33.943 0.039 . 1 . . . . A 99 GLN CG . 34451 1 1205 . 1 . 1 131 131 GLN N N 15 117.569 0.071 . 1 . . . . A 99 GLN N . 34451 1 1206 . 1 . 1 131 131 GLN NE2 N 15 111.92 0.034 . 1 . . . . A 99 GLN NE2 . 34451 1 1207 . 1 . 1 132 132 LEU H H 1 7.984 0.021 . 1 . . . . A 100 LEU H . 34451 1 1208 . 1 . 1 132 132 LEU HA H 1 4.255 0.002 . 1 . . . . A 100 LEU HA . 34451 1 1209 . 1 . 1 132 132 LEU HB2 H 1 1.574 0 . 2 . . . . A 100 LEU HB2 . 34451 1 1210 . 1 . 1 132 132 LEU HB3 H 1 1.657 0 . 2 . . . . A 100 LEU HB3 . 34451 1 1211 . 1 . 1 132 132 LEU HD11 H 1 0.802 0.037 . 2 . . . . A 100 LEU HD11 . 34451 1 1212 . 1 . 1 132 132 LEU HD12 H 1 0.802 0.037 . 2 . . . . A 100 LEU HD12 . 34451 1 1213 . 1 . 1 132 132 LEU HD13 H 1 0.802 0.037 . 2 . . . . A 100 LEU HD13 . 34451 1 1214 . 1 . 1 132 132 LEU HD21 H 1 0.907 0.014 . 2 . . . . A 100 LEU HD21 . 34451 1 1215 . 1 . 1 132 132 LEU HD22 H 1 0.907 0.014 . 2 . . . . A 100 LEU HD22 . 34451 1 1216 . 1 . 1 132 132 LEU HD23 H 1 0.907 0.014 . 2 . . . . A 100 LEU HD23 . 34451 1 1217 . 1 . 1 132 132 LEU C C 13 177.644 0 . 1 . . . . A 100 LEU C . 34451 1 1218 . 1 . 1 132 132 LEU CA C 13 55.571 0.044 . 1 . . . . A 100 LEU CA . 34451 1 1219 . 1 . 1 132 132 LEU CB C 13 41.844 0.072 . 1 . . . . A 100 LEU CB . 34451 1 1220 . 1 . 1 132 132 LEU CD1 C 13 23.083 0 . 2 . . . . A 100 LEU CD1 . 34451 1 1221 . 1 . 1 132 132 LEU CD2 C 13 24.875 0 . 2 . . . . A 100 LEU CD2 . 34451 1 1222 . 1 . 1 132 132 LEU N N 15 121.257 0.083 . 1 . . . . A 100 LEU N . 34451 1 1223 . 1 . 1 133 133 ARG H H 1 8.032 0.015 . 1 . . . . A 101 ARG H . 34451 1 1224 . 1 . 1 133 133 ARG HA H 1 4.206 0 . 1 . . . . A 101 ARG HA . 34451 1 1225 . 1 . 1 133 133 ARG HB2 H 1 1.744 0.003 . 2 . . . . A 101 ARG HB2 . 34451 1 1226 . 1 . 1 133 133 ARG HB3 H 1 1.786 0 . 2 . . . . A 101 ARG HB3 . 34451 1 1227 . 1 . 1 133 133 ARG HG2 H 1 1.589 0.016 . 2 . . . . A 101 ARG HG2 . 34451 1 1228 . 1 . 1 133 133 ARG HG3 H 1 1.536 0 . 2 . . . . A 101 ARG HG3 . 34451 1 1229 . 1 . 1 133 133 ARG HD2 H 1 3.138 0.004 . 1 . . . . A 101 ARG HD2 . 34451 1 1230 . 1 . 1 133 133 ARG HD3 H 1 3.138 0.004 . 1 . . . . A 101 ARG HD3 . 34451 1 1231 . 1 . 1 133 133 ARG C C 13 176.102 0 . 1 . . . . A 101 ARG C . 34451 1 1232 . 1 . 1 133 133 ARG CA C 13 56.559 0 . 1 . . . . A 101 ARG CA . 34451 1 1233 . 1 . 1 133 133 ARG CB C 13 30.695 0.116 . 1 . . . . A 101 ARG CB . 34451 1 1234 . 1 . 1 133 133 ARG CG C 13 26.897 0.143 . 1 . . . . A 101 ARG CG . 34451 1 1235 . 1 . 1 133 133 ARG CD C 13 43.182 0 . 1 . . . . A 101 ARG CD . 34451 1 1236 . 1 . 1 133 133 ARG N N 15 120.612 0.101 . 1 . . . . A 101 ARG N . 34451 1 1237 . 1 . 1 134 134 ASP H H 1 8.2 0.024 . 1 . . . . A 102 ASP H . 34451 1 1238 . 1 . 1 134 134 ASP HA H 1 4.543 0.001 . 1 . . . . A 102 ASP HA . 34451 1 1239 . 1 . 1 134 134 ASP HB2 H 1 2.568 0.004 . 2 . . . . A 102 ASP HB2 . 34451 1 1240 . 1 . 1 134 134 ASP HB3 H 1 2.721 0.001 . 2 . . . . A 102 ASP HB3 . 34451 1 1241 . 1 . 1 134 134 ASP C C 13 176.363 0 . 1 . . . . A 102 ASP C . 34451 1 1242 . 1 . 1 134 134 ASP CA C 13 54.393 0.017 . 1 . . . . A 102 ASP CA . 34451 1 1243 . 1 . 1 134 134 ASP CB C 13 40.975 0.048 . 1 . . . . A 102 ASP CB . 34451 1 1244 . 1 . 1 134 134 ASP N N 15 120.516 0.128 . 1 . . . . A 102 ASP N . 34451 1 1245 . 1 . 1 135 135 LEU H H 1 8.095 0.007 . 1 . . . . A 103 LEU H . 34451 1 1246 . 1 . 1 135 135 LEU HA H 1 4.247 0.003 . 1 . . . . A 103 LEU HA . 34451 1 1247 . 1 . 1 135 135 LEU HB2 H 1 1.605 0 . 1 . . . . A 103 LEU HB2 . 34451 1 1248 . 1 . 1 135 135 LEU HB3 H 1 1.605 0 . 1 . . . . A 103 LEU HB3 . 34451 1 1249 . 1 . 1 135 135 LEU HD11 H 1 0.834 0.025 . 2 . . . . A 103 LEU HD11 . 34451 1 1250 . 1 . 1 135 135 LEU HD12 H 1 0.834 0.025 . 2 . . . . A 103 LEU HD12 . 34451 1 1251 . 1 . 1 135 135 LEU HD13 H 1 0.834 0.025 . 2 . . . . A 103 LEU HD13 . 34451 1 1252 . 1 . 1 135 135 LEU HD21 H 1 0.882 0 . 2 . . . . A 103 LEU HD21 . 34451 1 1253 . 1 . 1 135 135 LEU HD22 H 1 0.882 0 . 2 . . . . A 103 LEU HD22 . 34451 1 1254 . 1 . 1 135 135 LEU HD23 H 1 0.882 0 . 2 . . . . A 103 LEU HD23 . 34451 1 1255 . 1 . 1 135 135 LEU C C 13 177.505 0.003 . 1 . . . . A 103 LEU C . 34451 1 1256 . 1 . 1 135 135 LEU CA C 13 55.344 0.029 . 1 . . . . A 103 LEU CA . 34451 1 1257 . 1 . 1 135 135 LEU CB C 13 41.955 0.056 . 1 . . . . A 103 LEU CB . 34451 1 1258 . 1 . 1 135 135 LEU CD1 C 13 23.122 0 . 2 . . . . A 103 LEU CD1 . 34451 1 1259 . 1 . 1 135 135 LEU CD2 C 13 24.869 0 . 2 . . . . A 103 LEU CD2 . 34451 1 1260 . 1 . 1 135 135 LEU N N 15 122.894 0.127 . 1 . . . . A 103 LEU N . 34451 1 1261 . 1 . 1 136 136 ARG H H 1 8.166 0.014 . 1 . . . . A 104 ARG H . 34451 1 1262 . 1 . 1 136 136 ARG HA H 1 4.231 0.002 . 1 . . . . A 104 ARG HA . 34451 1 1263 . 1 . 1 136 136 ARG HB2 H 1 1.799 0 . 1 . . . . A 104 ARG HB2 . 34451 1 1264 . 1 . 1 136 136 ARG HB3 H 1 1.799 0 . 1 . . . . A 104 ARG HB3 . 34451 1 1265 . 1 . 1 136 136 ARG HG2 H 1 1.603 0 . 1 . . . . A 104 ARG HG2 . 34451 1 1266 . 1 . 1 136 136 ARG HG3 H 1 1.603 0 . 1 . . . . A 104 ARG HG3 . 34451 1 1267 . 1 . 1 136 136 ARG HD2 H 1 3.159 0 . 1 . . . . A 104 ARG HD2 . 34451 1 1268 . 1 . 1 136 136 ARG HD3 H 1 3.159 0 . 1 . . . . A 104 ARG HD3 . 34451 1 1269 . 1 . 1 136 136 ARG C C 13 176.025 0 . 1 . . . . A 104 ARG C . 34451 1 1270 . 1 . 1 136 136 ARG CA C 13 56.32 0.091 . 1 . . . . A 104 ARG CA . 34451 1 1271 . 1 . 1 136 136 ARG CB C 13 30.525 0.005 . 1 . . . . A 104 ARG CB . 34451 1 1272 . 1 . 1 136 136 ARG CG C 13 26.993 0 . 1 . . . . A 104 ARG CG . 34451 1 1273 . 1 . 1 136 136 ARG CD C 13 43.351 0 . 1 . . . . A 104 ARG CD . 34451 1 1274 . 1 . 1 136 136 ARG N N 15 120.549 0.11 . 1 . . . . A 104 ARG N . 34451 1 1275 . 1 . 1 137 137 GLN H H 1 8.221 0.024 . 1 . . . . A 105 GLN H . 34451 1 1276 . 1 . 1 137 137 GLN HA H 1 4.298 0.003 . 1 . . . . A 105 GLN HA . 34451 1 1277 . 1 . 1 137 137 GLN HB2 H 1 1.939 0 . 2 . . . . A 105 GLN HB2 . 34451 1 1278 . 1 . 1 137 137 GLN HB3 H 1 2.096 0 . 2 . . . . A 105 GLN HB3 . 34451 1 1279 . 1 . 1 137 137 GLN HG2 H 1 2.317 0 . 1 . . . . A 105 GLN HG2 . 34451 1 1280 . 1 . 1 137 137 GLN HG3 H 1 2.317 0 . 1 . . . . A 105 GLN HG3 . 34451 1 1281 . 1 . 1 137 137 GLN C C 13 174.782 0 . 1 . . . . A 105 GLN C . 34451 1 1282 . 1 . 1 137 137 GLN CA C 13 55.502 0.161 . 1 . . . . A 105 GLN CA . 34451 1 1283 . 1 . 1 137 137 GLN CB C 13 29.346 0.056 . 1 . . . . A 105 GLN CB . 34451 1 1284 . 1 . 1 137 137 GLN CG C 13 33.72 0 . 1 . . . . A 105 GLN CG . 34451 1 1285 . 1 . 1 137 137 GLN N N 15 121.336 0.13 . 1 . . . . A 105 GLN N . 34451 1 1286 . 1 . 1 138 138 LEU H H 1 7.884 0.009 . 1 . . . . A 106 LEU H . 34451 1 1287 . 1 . 1 138 138 LEU HA H 1 4.138 0.005 . 1 . . . . A 106 LEU HA . 34451 1 1288 . 1 . 1 138 138 LEU HB2 H 1 1.54 0.004 . 2 . . . . A 106 LEU HB2 . 34451 1 1289 . 1 . 1 138 138 LEU HB3 H 1 1.539 0.003 . 2 . . . . A 106 LEU HB3 . 34451 1 1290 . 1 . 1 138 138 LEU HD11 H 1 0.803 0 . 2 . . . . A 106 LEU HD11 . 34451 1 1291 . 1 . 1 138 138 LEU HD12 H 1 0.803 0 . 2 . . . . A 106 LEU HD12 . 34451 1 1292 . 1 . 1 138 138 LEU HD13 H 1 0.803 0 . 2 . . . . A 106 LEU HD13 . 34451 1 1293 . 1 . 1 138 138 LEU HD21 H 1 0.862 0 . 2 . . . . A 106 LEU HD21 . 34451 1 1294 . 1 . 1 138 138 LEU HD22 H 1 0.862 0 . 2 . . . . A 106 LEU HD22 . 34451 1 1295 . 1 . 1 138 138 LEU HD23 H 1 0.862 0 . 2 . . . . A 106 LEU HD23 . 34451 1 1296 . 1 . 1 138 138 LEU C C 13 182.387 0 . 1 . . . . A 106 LEU C . 34451 1 1297 . 1 . 1 138 138 LEU CA C 13 56.667 0.042 . 1 . . . . A 106 LEU CA . 34451 1 1298 . 1 . 1 138 138 LEU CB C 13 43.019 0.129 . 1 . . . . A 106 LEU CB . 34451 1 1299 . 1 . 1 138 138 LEU CD1 C 13 23.322 0 . 2 . . . . A 106 LEU CD1 . 34451 1 1300 . 1 . 1 138 138 LEU CD2 C 13 24.828 0 . 2 . . . . A 106 LEU CD2 . 34451 1 1301 . 1 . 1 138 138 LEU N N 15 129.752 0.124 . 1 . . . . A 106 LEU N . 34451 1 stop_ save_