data_11591 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11591 _Entry.Title ; Solution structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-12 _Entry.Accession_date 2015-05-15 _Entry.Last_release_date 2016-04-04 _Entry.Original_release_date 2016-04-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Shoko Shinya . . . . 11591 2 Shigenori Nishimura . . . . 11591 3 Tamo Fukamizo . . . . 11591 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11591 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CBM . 11591 'carbohydrate-binding module' . 11591 chitosanase . 11591 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11591 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 457 11591 '15N chemical shifts' 140 11591 '1H chemical shifts' 677 11591 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 . . 2016-04-04 . original BMRB . 11591 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11592 'Solution structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5' 11591 PDB 2RV9 'BMRB Entry Tracking System' 11591 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11591 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26936968 _Citation.Full_citation . _Citation.Title ; Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2016 _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 Shoko Shinya . . . . 11591 1 2 Shigenori Nishimura . . . . 11591 1 3 Yoshihito Kitaoku . . . . 11591 1 4 Takayuki Ohnuma . . . . 11591 1 5 Tomoyuki Numata . . . . 11591 1 6 Hisashi Kimoto . . . . 11591 1 7 Hideo Kusaoke . . . . 11591 1 8 Tamo Fukamizo . . . . 11591 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11591 _Assembly.ID 1 _Assembly.Name 'chitosan-binding module 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $DD1 A . yes native no no . . . 11591 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DD1 _Entity.Sf_category entity _Entity.Sf_framecode DD1 _Entity.Entry_ID 11591 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DD1 _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 ; NLALNKTATASSIEGAGFEA SRAFDGSSTTRWASAEGVDP QWIYVNLGSSQTVNRVKLNW EAAYASSYTIQVSNDSGTPT NWTTVYTTTTGDGGIDDITF TARTAKYVRVHGTVRGTPYG YSLWEFEVYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14093.350 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 1 ASN . 11591 1 2 2 LEU . 11591 1 3 3 ALA . 11591 1 4 4 LEU . 11591 1 5 5 ASN . 11591 1 6 6 LYS . 11591 1 7 7 THR . 11591 1 8 8 ALA . 11591 1 9 9 THR . 11591 1 10 10 ALA . 11591 1 11 11 SER . 11591 1 12 12 SER . 11591 1 13 13 ILE . 11591 1 14 14 GLU . 11591 1 15 15 GLY . 11591 1 16 16 ALA . 11591 1 17 17 GLY . 11591 1 18 18 PHE . 11591 1 19 19 GLU . 11591 1 20 20 ALA . 11591 1 21 21 SER . 11591 1 22 22 ARG . 11591 1 23 23 ALA . 11591 1 24 24 PHE . 11591 1 25 25 ASP . 11591 1 26 26 GLY . 11591 1 27 27 SER . 11591 1 28 28 SER . 11591 1 29 29 THR . 11591 1 30 30 THR . 11591 1 31 31 ARG . 11591 1 32 32 TRP . 11591 1 33 33 ALA . 11591 1 34 34 SER . 11591 1 35 35 ALA . 11591 1 36 36 GLU . 11591 1 37 37 GLY . 11591 1 38 38 VAL . 11591 1 39 39 ASP . 11591 1 40 40 PRO . 11591 1 41 41 GLN . 11591 1 42 42 TRP . 11591 1 43 43 ILE . 11591 1 44 44 TYR . 11591 1 45 45 VAL . 11591 1 46 46 ASN . 11591 1 47 47 LEU . 11591 1 48 48 GLY . 11591 1 49 49 SER . 11591 1 50 50 SER . 11591 1 51 51 GLN . 11591 1 52 52 THR . 11591 1 53 53 VAL . 11591 1 54 54 ASN . 11591 1 55 55 ARG . 11591 1 56 56 VAL . 11591 1 57 57 LYS . 11591 1 58 58 LEU . 11591 1 59 59 ASN . 11591 1 60 60 TRP . 11591 1 61 61 GLU . 11591 1 62 62 ALA . 11591 1 63 63 ALA . 11591 1 64 64 TYR . 11591 1 65 65 ALA . 11591 1 66 66 SER . 11591 1 67 67 SER . 11591 1 68 68 TYR . 11591 1 69 69 THR . 11591 1 70 70 ILE . 11591 1 71 71 GLN . 11591 1 72 72 VAL . 11591 1 73 73 SER . 11591 1 74 74 ASN . 11591 1 75 75 ASP . 11591 1 76 76 SER . 11591 1 77 77 GLY . 11591 1 78 78 THR . 11591 1 79 79 PRO . 11591 1 80 80 THR . 11591 1 81 81 ASN . 11591 1 82 82 TRP . 11591 1 83 83 THR . 11591 1 84 84 THR . 11591 1 85 85 VAL . 11591 1 86 86 TYR . 11591 1 87 87 THR . 11591 1 88 88 THR . 11591 1 89 89 THR . 11591 1 90 90 THR . 11591 1 91 91 GLY . 11591 1 92 92 ASP . 11591 1 93 93 GLY . 11591 1 94 94 GLY . 11591 1 95 95 ILE . 11591 1 96 96 ASP . 11591 1 97 97 ASP . 11591 1 98 98 ILE . 11591 1 99 99 THR . 11591 1 100 100 PHE . 11591 1 101 101 THR . 11591 1 102 102 ALA . 11591 1 103 103 ARG . 11591 1 104 104 THR . 11591 1 105 105 ALA . 11591 1 106 106 LYS . 11591 1 107 107 TYR . 11591 1 108 108 VAL . 11591 1 109 109 ARG . 11591 1 110 110 VAL . 11591 1 111 111 HIS . 11591 1 112 112 GLY . 11591 1 113 113 THR . 11591 1 114 114 VAL . 11591 1 115 115 ARG . 11591 1 116 116 GLY . 11591 1 117 117 THR . 11591 1 118 118 PRO . 11591 1 119 119 TYR . 11591 1 120 120 GLY . 11591 1 121 121 TYR . 11591 1 122 122 SER . 11591 1 123 123 LEU . 11591 1 124 124 TRP . 11591 1 125 125 GLU . 11591 1 126 126 PHE . 11591 1 127 127 GLU . 11591 1 128 128 VAL . 11591 1 129 129 TYR . 11591 1 130 130 GLY . 11591 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 . ASN 1 1 11591 1 . LEU 2 2 11591 1 . ALA 3 3 11591 1 . LEU 4 4 11591 1 . ASN 5 5 11591 1 . LYS 6 6 11591 1 . THR 7 7 11591 1 . ALA 8 8 11591 1 . THR 9 9 11591 1 . ALA 10 10 11591 1 . SER 11 11 11591 1 . SER 12 12 11591 1 . ILE 13 13 11591 1 . GLU 14 14 11591 1 . GLY 15 15 11591 1 . ALA 16 16 11591 1 . GLY 17 17 11591 1 . PHE 18 18 11591 1 . GLU 19 19 11591 1 . ALA 20 20 11591 1 . SER 21 21 11591 1 . ARG 22 22 11591 1 . ALA 23 23 11591 1 . PHE 24 24 11591 1 . ASP 25 25 11591 1 . GLY 26 26 11591 1 . SER 27 27 11591 1 . SER 28 28 11591 1 . THR 29 29 11591 1 . THR 30 30 11591 1 . ARG 31 31 11591 1 . TRP 32 32 11591 1 . ALA 33 33 11591 1 . SER 34 34 11591 1 . ALA 35 35 11591 1 . GLU 36 36 11591 1 . GLY 37 37 11591 1 . VAL 38 38 11591 1 . ASP 39 39 11591 1 . PRO 40 40 11591 1 . GLN 41 41 11591 1 . TRP 42 42 11591 1 . ILE 43 43 11591 1 . TYR 44 44 11591 1 . VAL 45 45 11591 1 . ASN 46 46 11591 1 . LEU 47 47 11591 1 . GLY 48 48 11591 1 . SER 49 49 11591 1 . SER 50 50 11591 1 . GLN 51 51 11591 1 . THR 52 52 11591 1 . VAL 53 53 11591 1 . ASN 54 54 11591 1 . ARG 55 55 11591 1 . VAL 56 56 11591 1 . LYS 57 57 11591 1 . LEU 58 58 11591 1 . ASN 59 59 11591 1 . TRP 60 60 11591 1 . GLU 61 61 11591 1 . ALA 62 62 11591 1 . ALA 63 63 11591 1 . TYR 64 64 11591 1 . ALA 65 65 11591 1 . SER 66 66 11591 1 . SER 67 67 11591 1 . TYR 68 68 11591 1 . THR 69 69 11591 1 . ILE 70 70 11591 1 . GLN 71 71 11591 1 . VAL 72 72 11591 1 . SER 73 73 11591 1 . ASN 74 74 11591 1 . ASP 75 75 11591 1 . SER 76 76 11591 1 . GLY 77 77 11591 1 . THR 78 78 11591 1 . PRO 79 79 11591 1 . THR 80 80 11591 1 . ASN 81 81 11591 1 . TRP 82 82 11591 1 . THR 83 83 11591 1 . THR 84 84 11591 1 . VAL 85 85 11591 1 . TYR 86 86 11591 1 . THR 87 87 11591 1 . THR 88 88 11591 1 . THR 89 89 11591 1 . THR 90 90 11591 1 . GLY 91 91 11591 1 . ASP 92 92 11591 1 . GLY 93 93 11591 1 . GLY 94 94 11591 1 . ILE 95 95 11591 1 . ASP 96 96 11591 1 . ASP 97 97 11591 1 . ILE 98 98 11591 1 . THR 99 99 11591 1 . PHE 100 100 11591 1 . THR 101 101 11591 1 . ALA 102 102 11591 1 . ARG 103 103 11591 1 . THR 104 104 11591 1 . ALA 105 105 11591 1 . LYS 106 106 11591 1 . TYR 107 107 11591 1 . VAL 108 108 11591 1 . ARG 109 109 11591 1 . VAL 110 110 11591 1 . HIS 111 111 11591 1 . GLY 112 112 11591 1 . THR 113 113 11591 1 . VAL 114 114 11591 1 . ARG 115 115 11591 1 . GLY 116 116 11591 1 . THR 117 117 11591 1 . PRO 118 118 11591 1 . TYR 119 119 11591 1 . GLY 120 120 11591 1 . TYR 121 121 11591 1 . SER 122 122 11591 1 . LEU 123 123 11591 1 . TRP 124 124 11591 1 . GLU 125 125 11591 1 . PHE 126 126 11591 1 . GLU 127 127 11591 1 . VAL 128 128 11591 1 . TYR 129 129 11591 1 . GLY 130 130 11591 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 11591 _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 $DD1 . 44249 organism . 'Paenibacillus sp.' 'Paenibacillus sp.' . . Bacteria . Paenibacillus sp. IK-5 . . . . . . . . . . . . 11591 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 11591 _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 $DD1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . 'pET Blue-1' . . . 11591 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11591 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 DD1 '[U-95% 13C; U-95% 15N]' . . 1 $DD1 . protein 0.4 . . mM . . . . 11591 1 2 TRIS 'natural abundance' . . . . . buffer 10 . . mM . . . . 11591 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11591 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11591 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11591 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 DD1 '[U-95% 13C; U-95% 15N]' . . 1 $DD1 . protein 0.4 . . mM . . . . 11591 2 2 D2O [U-2H] . . . . . solvent 100 . . % . . . . 11591 2 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 11591 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 11591 1 pressure 1 . atm 11591 1 temperature 300 . K 11591 1 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11591 _Software.ID 1 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11591 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'backbone angle prediction' 11591 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11591 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11591 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11591 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11591 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11591 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11591 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11591 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 11591 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 11591 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 11591 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11591 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11591 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11591 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11591 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11591 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11591 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11591 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11591 1 3 '3D HNCO' 1 $sample_1 isotropic 11591 1 4 '3D HNCA' 1 $sample_1 isotropic 11591 1 5 '3D HNCACB' 1 $sample_1 isotropic 11591 1 6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11591 1 7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11591 1 8 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11591 1 9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11591 1 10 '3D 1H-13C NOESY' 2 $sample_2 isotropic 11591 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN CA C 13 51.964 0.097 . 1 . . . A 1 ASN CA . 11591 1 2 . 1 1 1 1 ASN CB C 13 36.978 0.077 . 1 . . . A 1 ASN CB . 11591 1 3 . 1 1 1 1 ASN C C 13 176.141 0.009 . 1 . . . A 1 ASN C . 11591 1 4 . 1 1 1 1 ASN H H 1 8.439 0.008 . 1 . . . A 1 ASN H . 11591 1 5 . 1 1 1 1 ASN HA H 1 4.164 0.025 . 1 . . . A 1 ASN HA . 11591 1 6 . 1 1 1 1 ASN HB2 H 1 2.837 0.064 . 2 . . . A 1 ASN HB2 . 11591 1 7 . 1 1 1 1 ASN HB3 H 1 2.699 0.016 . 2 . . . A 1 ASN HB3 . 11591 1 8 . 1 1 1 1 ASN N N 15 120.614 0.065 . 1 . . . A 1 ASN N . 11591 1 9 . 1 1 2 2 LEU CA C 13 55.777 0.08 . 1 . . . A 2 LEU CA . 11591 1 10 . 1 1 2 2 LEU CB C 13 42.812 0.052 . 1 . . . A 2 LEU CB . 11591 1 11 . 1 1 2 2 LEU C C 13 176.763 0.009 . 1 . . . A 2 LEU C . 11591 1 12 . 1 1 2 2 LEU HA H 1 3.791 0.018 . 1 . . . A 2 LEU HA . 11591 1 13 . 1 1 2 2 LEU HB2 H 1 1.334 0.022 . 2 . . . A 2 LEU HB2 . 11591 1 14 . 1 1 2 2 LEU HB3 H 1 1.2 0.01 . 2 . . . A 2 LEU HB3 . 11591 1 15 . 1 1 2 2 LEU H H 1 9.199 0.001 . 1 . . . A 2 LEU H . 11591 1 16 . 1 1 2 2 LEU N N 15 129.595 0.053 . 1 . . . A 2 LEU N . 11591 1 17 . 1 1 3 3 ALA CA C 13 51.449 0.067 . 1 . . . A 3 ALA CA . 11591 1 18 . 1 1 3 3 ALA CB C 13 21.05 0.072 . 1 . . . A 3 ALA CB . 11591 1 19 . 1 1 3 3 ALA C C 13 175.472 0 . 1 . . . A 3 ALA C . 11591 1 20 . 1 1 3 3 ALA H H 1 7.694 0.008 . 1 . . . A 3 ALA H . 11591 1 21 . 1 1 3 3 ALA HA H 1 3.815 0.01 . 1 . . . A 3 ALA HA . 11591 1 22 . 1 1 3 3 ALA N N 15 117.353 0.052 . 1 . . . A 3 ALA N . 11591 1 23 . 1 1 3 3 ALA HB1 H 1 1.406 0.017 . 1 . . . A 3 ALA HB1 . 11591 1 24 . 1 1 3 3 ALA HB2 H 1 1.406 0.017 . 1 . . . A 3 ALA HB2 . 11591 1 25 . 1 1 3 3 ALA HB3 H 1 1.406 0.017 . 1 . . . A 3 ALA HB3 . 11591 1 26 . 1 1 4 4 LEU CA C 13 56.415 0.081 . 1 . . . A 4 LEU CA . 11591 1 27 . 1 1 4 4 LEU CB C 13 41.998 0.073 . 1 . . . A 4 LEU CB . 11591 1 28 . 1 1 4 4 LEU CD1 C 13 22.451 0.097 . 1 . . . A 4 LEU CD1 . 11591 1 29 . 1 1 4 4 LEU CG C 13 25.858 0.075 . 1 . . . A 4 LEU CG . 11591 1 30 . 1 1 4 4 LEU C C 13 177.732 0 . 1 . . . A 4 LEU C . 11591 1 31 . 1 1 4 4 LEU H H 1 6.324 0.01 . 1 . . . A 4 LEU H . 11591 1 32 . 1 1 4 4 LEU HA H 1 3.911 0.023 . 1 . . . A 4 LEU HA . 11591 1 33 . 1 1 4 4 LEU HB2 H 1 1.675 0.011 . 2 . . . A 4 LEU HB2 . 11591 1 34 . 1 1 4 4 LEU HB3 H 1 1.303 0.01 . 2 . . . A 4 LEU HB3 . 11591 1 35 . 1 1 4 4 LEU HG H 1 0.788 0.013 . 1 . . . A 4 LEU HG . 11591 1 36 . 1 1 4 4 LEU N N 15 118.311 0.031 . 1 . . . A 4 LEU N . 11591 1 37 . 1 1 4 4 LEU HD11 H 1 0.675 0.012 . 1 . . . A 4 LEU HD11 . 11591 1 38 . 1 1 4 4 LEU HD12 H 1 0.675 0.012 . 1 . . . A 4 LEU HD12 . 11591 1 39 . 1 1 4 4 LEU HD13 H 1 0.675 0.012 . 1 . . . A 4 LEU HD13 . 11591 1 40 . 1 1 5 5 ASN CA C 13 54.875 0.075 . 1 . . . A 5 ASN CA . 11591 1 41 . 1 1 5 5 ASN CB C 13 37.059 0.068 . 1 . . . A 5 ASN CB . 11591 1 42 . 1 1 5 5 ASN C C 13 174.419 0.032 . 1 . . . A 5 ASN C . 11591 1 43 . 1 1 5 5 ASN HA H 1 4.325 0.01 . 1 . . . A 5 ASN HA . 11591 1 44 . 1 1 5 5 ASN HB2 H 1 2.985 0.017 . 2 . . . A 5 ASN HB2 . 11591 1 45 . 1 1 5 5 ASN HB3 H 1 2.811 0.011 . 2 . . . A 5 ASN HB3 . 11591 1 46 . 1 1 5 5 ASN HD21 H 1 7.552 0.011 . 2 . . . A 5 ASN HD21 . 11591 1 47 . 1 1 5 5 ASN HD22 H 1 6.986 0.02 . 2 . . . A 5 ASN HD22 . 11591 1 48 . 1 1 5 5 ASN H H 1 9.905 0.001 . 1 . . . A 5 ASN H . 11591 1 49 . 1 1 5 5 ASN N N 15 120.467 0.031 . 1 . . . A 5 ASN N . 11591 1 50 . 1 1 5 5 ASN ND2 N 15 113.207 0.006 . 1 . . . A 5 ASN ND2 . 11591 1 51 . 1 1 6 6 LYS CA C 13 53.227 0.086 . 1 . . . A 6 LYS CA . 11591 1 52 . 1 1 6 6 LYS CB C 13 31.387 0.06 . 1 . . . A 6 LYS CB . 11591 1 53 . 1 1 6 6 LYS C C 13 175.945 0.005 . 1 . . . A 6 LYS C . 11591 1 54 . 1 1 6 6 LYS HA H 1 4.328 0.011 . 1 . . . A 6 LYS HA . 11591 1 55 . 1 1 6 6 LYS HB2 H 1 1.95 0.014 . 2 . . . A 6 LYS HB2 . 11591 1 56 . 1 1 6 6 LYS HB3 H 1 1.33 0.01 . 2 . . . A 6 LYS HB3 . 11591 1 57 . 1 1 6 6 LYS H H 1 7.31 0.001 . 1 . . . A 6 LYS H . 11591 1 58 . 1 1 6 6 LYS N N 15 118.852 0.045 . 1 . . . A 6 LYS N . 11591 1 59 . 1 1 7 7 THR CA C 13 64.157 0.097 . 1 . . . A 7 THR CA . 11591 1 60 . 1 1 7 7 THR CB C 13 69.536 0.073 . 1 . . . A 7 THR CB . 11591 1 61 . 1 1 7 7 THR CG2 C 13 22.074 0.012 . 1 . . . A 7 THR CG2 . 11591 1 62 . 1 1 7 7 THR C C 13 173.222 0.009 . 1 . . . A 7 THR C . 11591 1 63 . 1 1 7 7 THR HA H 1 3.905 0.021 . 1 . . . A 7 THR HA . 11591 1 64 . 1 1 7 7 THR HB H 1 3.925 0.016 . 1 . . . A 7 THR HB . 11591 1 65 . 1 1 7 7 THR H H 1 7.737 0.004 . 1 . . . A 7 THR H . 11591 1 66 . 1 1 7 7 THR N N 15 114.143 0.069 . 1 . . . A 7 THR N . 11591 1 67 . 1 1 7 7 THR HG21 H 1 1.182 0.011 . 1 . . . A 7 THR HG21 . 11591 1 68 . 1 1 7 7 THR HG22 H 1 1.182 0.011 . 1 . . . A 7 THR HG22 . 11591 1 69 . 1 1 7 7 THR HG23 H 1 1.182 0.011 . 1 . . . A 7 THR HG23 . 11591 1 70 . 1 1 8 8 ALA CA C 13 50.437 0.084 . 1 . . . A 8 ALA CA . 11591 1 71 . 1 1 8 8 ALA CB C 13 25.732 0.038 . 1 . . . A 8 ALA CB . 11591 1 72 . 1 1 8 8 ALA C C 13 176.244 0.002 . 1 . . . A 8 ALA C . 11591 1 73 . 1 1 8 8 ALA HA H 1 4.906 0.022 . 1 . . . A 8 ALA HA . 11591 1 74 . 1 1 8 8 ALA H H 1 8.473 0 . 1 . . . A 8 ALA H . 11591 1 75 . 1 1 8 8 ALA N N 15 131.108 0.025 . 1 . . . A 8 ALA N . 11591 1 76 . 1 1 8 8 ALA HB1 H 1 0.959 0.016 . 1 . . . A 8 ALA HB1 . 11591 1 77 . 1 1 8 8 ALA HB2 H 1 0.959 0.016 . 1 . . . A 8 ALA HB2 . 11591 1 78 . 1 1 8 8 ALA HB3 H 1 0.959 0.016 . 1 . . . A 8 ALA HB3 . 11591 1 79 . 1 1 9 9 THR CA C 13 61.808 0.102 . 1 . . . A 9 THR CA . 11591 1 80 . 1 1 9 9 THR CB C 13 71.495 0.13 . 1 . . . A 9 THR CB . 11591 1 81 . 1 1 9 9 THR CG2 C 13 20.909 0.131 . 1 . . . A 9 THR CG2 . 11591 1 82 . 1 1 9 9 THR C C 13 170.617 0.002 . 1 . . . A 9 THR C . 11591 1 83 . 1 1 9 9 THR HA H 1 4.1 0.022 . 1 . . . A 9 THR HA . 11591 1 84 . 1 1 9 9 THR HB H 1 2.374 0.008 . 1 . . . A 9 THR HB . 11591 1 85 . 1 1 9 9 THR H H 1 8.321 0.001 . 1 . . . A 9 THR H . 11591 1 86 . 1 1 9 9 THR N N 15 117.415 0.047 . 1 . . . A 9 THR N . 11591 1 87 . 1 1 9 9 THR HG21 H 1 1.11 0.013 . 1 . . . A 9 THR HG21 . 11591 1 88 . 1 1 9 9 THR HG22 H 1 1.11 0.013 . 1 . . . A 9 THR HG22 . 11591 1 89 . 1 1 9 9 THR HG23 H 1 1.11 0.013 . 1 . . . A 9 THR HG23 . 11591 1 90 . 1 1 10 10 ALA CA C 13 49.858 0.12 . 1 . . . A 10 ALA CA . 11591 1 91 . 1 1 10 10 ALA CB C 13 24.45 0.035 . 1 . . . A 10 ALA CB . 11591 1 92 . 1 1 10 10 ALA C C 13 176.743 0.005 . 1 . . . A 10 ALA C . 11591 1 93 . 1 1 10 10 ALA HA H 1 4.811 0.013 . 1 . . . A 10 ALA HA . 11591 1 94 . 1 1 10 10 ALA H H 1 8.518 0.001 . 1 . . . A 10 ALA H . 11591 1 95 . 1 1 10 10 ALA N N 15 126.13 0.08 . 1 . . . A 10 ALA N . 11591 1 96 . 1 1 10 10 ALA HB1 H 1 1.02 0.018 . 1 . . . A 10 ALA HB1 . 11591 1 97 . 1 1 10 10 ALA HB2 H 1 1.02 0.018 . 1 . . . A 10 ALA HB2 . 11591 1 98 . 1 1 10 10 ALA HB3 H 1 1.02 0.018 . 1 . . . A 10 ALA HB3 . 11591 1 99 . 1 1 11 11 SER CA C 13 60.038 0.119 . 1 . . . A 11 SER CA . 11591 1 100 . 1 1 11 11 SER CB C 13 59.921 0.132 . 1 . . . A 11 SER CB . 11591 1 101 . 1 1 11 11 SER C C 13 175.281 0 . 1 . . . A 11 SER C . 11591 1 102 . 1 1 11 11 SER HA H 1 3.394 0.008 . 1 . . . A 11 SER HA . 11591 1 103 . 1 1 11 11 SER HB2 H 1 2.812 0.008 . 2 . . . A 11 SER HB2 . 11591 1 104 . 1 1 11 11 SER HB3 H 1 1.205 0.004 . 2 . . . A 11 SER HB3 . 11591 1 105 . 1 1 11 11 SER H H 1 7.84 0 . 1 . . . A 11 SER H . 11591 1 106 . 1 1 11 11 SER N N 15 115.243 0.05 . 1 . . . A 11 SER N . 11591 1 107 . 1 1 12 12 SER CA C 13 58.145 0.13 . 1 . . . A 12 SER CA . 11591 1 108 . 1 1 12 12 SER CB C 13 65.034 0.081 . 1 . . . A 12 SER CB . 11591 1 109 . 1 1 12 12 SER C C 13 172.191 0 . 1 . . . A 12 SER C . 11591 1 110 . 1 1 12 12 SER HA H 1 4.445 0.011 . 1 . . . A 12 SER HA . 11591 1 111 . 1 1 12 12 SER HB2 H 1 4.137 0.015 . 2 . . . A 12 SER HB2 . 11591 1 112 . 1 1 12 12 SER HB3 H 1 3.727 0.027 . 2 . . . A 12 SER HB3 . 11591 1 113 . 1 1 12 12 SER H H 1 7.339 0 . 1 . . . A 12 SER H . 11591 1 114 . 1 1 12 12 SER N N 15 110.709 0.08 . 1 . . . A 12 SER N . 11591 1 115 . 1 1 13 13 ILE CA C 13 58.854 0.13 . 1 . . . A 13 ILE CA . 11591 1 116 . 1 1 13 13 ILE CB C 13 42.955 0.121 . 1 . . . A 13 ILE CB . 11591 1 117 . 1 1 13 13 ILE CD1 C 13 13.907 0.144 . 1 . . . A 13 ILE CD1 . 11591 1 118 . 1 1 13 13 ILE CG1 C 13 25.429 0.161 . 1 . . . A 13 ILE CG1 . 11591 1 119 . 1 1 13 13 ILE CG2 C 13 18.849 0.091 . 1 . . . A 13 ILE CG2 . 11591 1 120 . 1 1 13 13 ILE C C 13 176.336 0.006 . 1 . . . A 13 ILE C . 11591 1 121 . 1 1 13 13 ILE HA H 1 5.355 0.013 . 1 . . . A 13 ILE HA . 11591 1 122 . 1 1 13 13 ILE HB H 1 1.849 0.014 . 1 . . . A 13 ILE HB . 11591 1 123 . 1 1 13 13 ILE H H 1 8.264 0.001 . 1 . . . A 13 ILE H . 11591 1 124 . 1 1 13 13 ILE N N 15 111.516 0.04 . 1 . . . A 13 ILE N . 11591 1 125 . 1 1 13 13 ILE HD11 H 1 0.827 0.014 . 1 . . . A 13 ILE HD11 . 11591 1 126 . 1 1 13 13 ILE HD12 H 1 0.827 0.014 . 1 . . . A 13 ILE HD12 . 11591 1 127 . 1 1 13 13 ILE HD13 H 1 0.827 0.014 . 1 . . . A 13 ILE HD13 . 11591 1 128 . 1 1 13 13 ILE HG12 H 1 1.15 0.016 . 1 . . . A 13 ILE HG12 . 11591 1 129 . 1 1 13 13 ILE HG13 H 1 1.15 0.016 . 1 . . . A 13 ILE HG13 . 11591 1 130 . 1 1 13 13 ILE HG21 H 1 1.157 0.011 . 1 . . . A 13 ILE HG21 . 11591 1 131 . 1 1 13 13 ILE HG22 H 1 1.157 0.011 . 1 . . . A 13 ILE HG22 . 11591 1 132 . 1 1 13 13 ILE HG23 H 1 1.157 0.011 . 1 . . . A 13 ILE HG23 . 11591 1 133 . 1 1 14 14 GLU CA C 13 58.399 0.17 . 1 . . . A 14 GLU CA . 11591 1 134 . 1 1 14 14 GLU CB C 13 29.518 0.103 . 1 . . . A 14 GLU CB . 11591 1 135 . 1 1 14 14 GLU CG C 13 35.355 0.163 . 1 . . . A 14 GLU CG . 11591 1 136 . 1 1 14 14 GLU C C 13 176.407 0.005 . 1 . . . A 14 GLU C . 11591 1 137 . 1 1 14 14 GLU HA H 1 3.535 0.017 . 1 . . . A 14 GLU HA . 11591 1 138 . 1 1 14 14 GLU HB2 H 1 1.522 0.04 . 2 . . . A 14 GLU HB2 . 11591 1 139 . 1 1 14 14 GLU HB3 H 1 1.001 0.014 . 2 . . . A 14 GLU HB3 . 11591 1 140 . 1 1 14 14 GLU HG2 H 1 1.829 0.016 . 1 . . . A 14 GLU HG2 . 11591 1 141 . 1 1 14 14 GLU H H 1 8.435 0.001 . 1 . . . A 14 GLU H . 11591 1 142 . 1 1 14 14 GLU N N 15 124.303 0.055 . 1 . . . A 14 GLU N . 11591 1 143 . 1 1 15 15 GLY CA C 13 43.467 0.063 . 1 . . . A 15 GLY CA . 11591 1 144 . 1 1 15 15 GLY C C 13 171.062 0.041 . 1 . . . A 15 GLY C . 11591 1 145 . 1 1 15 15 GLY HA2 H 1 4.2 0.011 . 2 . . . A 15 GLY HA2 . 11591 1 146 . 1 1 15 15 GLY HA3 H 1 3.775 0.008 . 2 . . . A 15 GLY HA3 . 11591 1 147 . 1 1 15 15 GLY H H 1 6.745 0 . 1 . . . A 15 GLY H . 11591 1 148 . 1 1 15 15 GLY N N 15 99.595 0.041 . 1 . . . A 15 GLY N . 11591 1 149 . 1 1 16 16 ALA CA C 13 53.323 0.143 . 1 . . . A 16 ALA CA . 11591 1 150 . 1 1 16 16 ALA CB C 13 17.94 0.059 . 1 . . . A 16 ALA CB . 11591 1 151 . 1 1 16 16 ALA C C 13 178.529 0 . 1 . . . A 16 ALA C . 11591 1 152 . 1 1 16 16 ALA HA H 1 4.154 0.011 . 1 . . . A 16 ALA HA . 11591 1 153 . 1 1 16 16 ALA H H 1 8.348 0.001 . 1 . . . A 16 ALA H . 11591 1 154 . 1 1 16 16 ALA N N 15 122.492 0.016 . 1 . . . A 16 ALA N . 11591 1 155 . 1 1 16 16 ALA HB1 H 1 1.27 0.015 . 1 . . . A 16 ALA HB1 . 11591 1 156 . 1 1 16 16 ALA HB2 H 1 1.27 0.015 . 1 . . . A 16 ALA HB2 . 11591 1 157 . 1 1 16 16 ALA HB3 H 1 1.27 0.015 . 1 . . . A 16 ALA HB3 . 11591 1 158 . 1 1 17 17 GLY CA C 13 44.562 0.183 . 1 . . . A 17 GLY CA . 11591 1 159 . 1 1 17 17 GLY C C 13 173.533 0.003 . 1 . . . A 17 GLY C . 11591 1 160 . 1 1 17 17 GLY H H 1 9.257 0.006 . 1 . . . A 17 GLY H . 11591 1 161 . 1 1 17 17 GLY HA2 H 1 3.86 0.009 . 2 . . . A 17 GLY HA2 . 11591 1 162 . 1 1 17 17 GLY HA3 H 1 3.35 0.011 . 2 . . . A 17 GLY HA3 . 11591 1 163 . 1 1 17 17 GLY N N 15 112.883 0.062 . 1 . . . A 17 GLY N . 11591 1 164 . 1 1 18 18 PHE CA C 13 56.678 0.131 . 1 . . . A 18 PHE CA . 11591 1 165 . 1 1 18 18 PHE CB C 13 39.673 0.059 . 1 . . . A 18 PHE CB . 11591 1 166 . 1 1 18 18 PHE CD1 C 13 132.341 0 . 1 . . . A 18 PHE CD1 . 11591 1 167 . 1 1 18 18 PHE C C 13 175.201 0.019 . 1 . . . A 18 PHE C . 11591 1 168 . 1 1 18 18 PHE HA H 1 5.66 0.014 . 1 . . . A 18 PHE HA . 11591 1 169 . 1 1 18 18 PHE HB2 H 1 3.631 0.025 . 2 . . . A 18 PHE HB2 . 11591 1 170 . 1 1 18 18 PHE HB3 H 1 2.586 0.02 . 2 . . . A 18 PHE HB3 . 11591 1 171 . 1 1 18 18 PHE HD1 H 1 6.792 0.013 . 1 . . . A 18 PHE HD1 . 11591 1 172 . 1 1 18 18 PHE H H 1 7.508 0.001 . 1 . . . A 18 PHE H . 11591 1 173 . 1 1 18 18 PHE N N 15 119.02 0.057 . 1 . . . A 18 PHE N . 11591 1 174 . 1 1 19 19 GLU CA C 13 59.13 0.097 . 1 . . . A 19 GLU CA . 11591 1 175 . 1 1 19 19 GLU CB C 13 29.308 0.064 . 1 . . . A 19 GLU CB . 11591 1 176 . 1 1 19 19 GLU CG C 13 36.632 0.063 . 1 . . . A 19 GLU CG . 11591 1 177 . 1 1 19 19 GLU C C 13 177.048 0.01 . 1 . . . A 19 GLU C . 11591 1 178 . 1 1 19 19 GLU HA H 1 4.174 0.018 . 1 . . . A 19 GLU HA . 11591 1 179 . 1 1 19 19 GLU HB2 H 1 2.197 0.01 . 2 . . . A 19 GLU HB2 . 11591 1 180 . 1 1 19 19 GLU H H 1 8.543 0.001 . 1 . . . A 19 GLU H . 11591 1 181 . 1 1 19 19 GLU N N 15 115.527 0.052 . 1 . . . A 19 GLU N . 11591 1 182 . 1 1 20 20 ALA CA C 13 54.998 0.139 . 1 . . . A 20 ALA CA . 11591 1 183 . 1 1 20 20 ALA CB C 13 18.101 0.091 . 1 . . . A 20 ALA CB . 11591 1 184 . 1 1 20 20 ALA C C 13 178.746 0.005 . 1 . . . A 20 ALA C . 11591 1 185 . 1 1 20 20 ALA HA H 1 3.91 0.025 . 1 . . . A 20 ALA HA . 11591 1 186 . 1 1 20 20 ALA H H 1 8.608 0 . 1 . . . A 20 ALA H . 11591 1 187 . 1 1 20 20 ALA N N 15 123.05 0.065 . 1 . . . A 20 ALA N . 11591 1 188 . 1 1 20 20 ALA HB1 H 1 1.002 0.032 . 1 . . . A 20 ALA HB1 . 11591 1 189 . 1 1 20 20 ALA HB2 H 1 1.002 0.032 . 1 . . . A 20 ALA HB2 . 11591 1 190 . 1 1 20 20 ALA HB3 H 1 1.002 0.032 . 1 . . . A 20 ALA HB3 . 11591 1 191 . 1 1 21 21 SER CA C 13 60.408 0.133 . 1 . . . A 21 SER CA . 11591 1 192 . 1 1 21 21 SER CB C 13 62.307 0.071 . 1 . . . A 21 SER CB . 11591 1 193 . 1 1 21 21 SER C C 13 177.01 0 . 1 . . . A 21 SER C . 11591 1 194 . 1 1 21 21 SER HA H 1 3.983 0.013 . 1 . . . A 21 SER HA . 11591 1 195 . 1 1 21 21 SER H H 1 7.941 0 . 1 . . . A 21 SER H . 11591 1 196 . 1 1 21 21 SER N N 15 108.629 0.037 . 1 . . . A 21 SER N . 11591 1 197 . 1 1 21 21 SER HB2 H 1 4.158 0.023 . 1 . . . A 21 SER HB2 . 11591 1 198 . 1 1 21 21 SER HB3 H 1 4.158 0.023 . 1 . . . A 21 SER HB3 . 11591 1 199 . 1 1 22 22 ARG CA C 13 56.329 0.127 . 1 . . . A 22 ARG CA . 11591 1 200 . 1 1 22 22 ARG CB C 13 29.281 0.212 . 1 . . . A 22 ARG CB . 11591 1 201 . 1 1 22 22 ARG CD C 13 41.054 0 . 1 . . . A 22 ARG CD . 11591 1 202 . 1 1 22 22 ARG CG C 13 26.111 0.074 . 1 . . . A 22 ARG CG . 11591 1 203 . 1 1 22 22 ARG C C 13 177.926 0.01 . 1 . . . A 22 ARG C . 11591 1 204 . 1 1 22 22 ARG HA H 1 4.04 0.013 . 1 . . . A 22 ARG HA . 11591 1 205 . 1 1 22 22 ARG HB2 H 1 1.935 0.067 . 2 . . . A 22 ARG HB2 . 11591 1 206 . 1 1 22 22 ARG HB3 H 1 1.603 0.026 . 2 . . . A 22 ARG HB3 . 11591 1 207 . 1 1 22 22 ARG HD2 H 1 3.123 0.007 . 2 . . . A 22 ARG HD2 . 11591 1 208 . 1 1 22 22 ARG HG2 H 1 1.558 0.01 . 2 . . . A 22 ARG HG2 . 11591 1 209 . 1 1 22 22 ARG HG3 H 1 1.946 0.007 . 2 . . . A 22 ARG HG3 . 11591 1 210 . 1 1 22 22 ARG H H 1 7.995 0.002 . 1 . . . A 22 ARG H . 11591 1 211 . 1 1 22 22 ARG N N 15 119.921 0.064 . 1 . . . A 22 ARG N . 11591 1 212 . 1 1 23 23 ALA CA C 13 52.178 0.065 . 1 . . . A 23 ALA CA . 11591 1 213 . 1 1 23 23 ALA CB C 13 17.733 0.077 . 1 . . . A 23 ALA CB . 11591 1 214 . 1 1 23 23 ALA C C 13 173.539 0.01 . 1 . . . A 23 ALA C . 11591 1 215 . 1 1 23 23 ALA HA H 1 4.378 0.015 . 1 . . . A 23 ALA HA . 11591 1 216 . 1 1 23 23 ALA H H 1 7.95 0.001 . 1 . . . A 23 ALA H . 11591 1 217 . 1 1 23 23 ALA N N 15 124.74 0.089 . 1 . . . A 23 ALA N . 11591 1 218 . 1 1 23 23 ALA HB1 H 1 0.845 0.02 . 1 . . . A 23 ALA HB1 . 11591 1 219 . 1 1 23 23 ALA HB2 H 1 0.845 0.02 . 1 . . . A 23 ALA HB2 . 11591 1 220 . 1 1 23 23 ALA HB3 H 1 0.845 0.02 . 1 . . . A 23 ALA HB3 . 11591 1 221 . 1 1 24 24 PHE CA C 13 56.069 0.111 . 1 . . . A 24 PHE CA . 11591 1 222 . 1 1 24 24 PHE CB C 13 39.72 0.171 . 1 . . . A 24 PHE CB . 11591 1 223 . 1 1 24 24 PHE CD1 C 13 133.555 0.004 . 1 . . . A 24 PHE CD1 . 11591 1 224 . 1 1 24 24 PHE CE1 C 13 130.362 0.004 . 1 . . . A 24 PHE CE1 . 11591 1 225 . 1 1 24 24 PHE C C 13 175.842 0.009 . 1 . . . A 24 PHE C . 11591 1 226 . 1 1 24 24 PHE CZ C 13 129.74 0.148 . 1 . . . A 24 PHE CZ . 11591 1 227 . 1 1 24 24 PHE HA H 1 5.466 0.015 . 1 . . . A 24 PHE HA . 11591 1 228 . 1 1 24 24 PHE HB2 H 1 3.906 0.007 . 2 . . . A 24 PHE HB2 . 11591 1 229 . 1 1 24 24 PHE HB3 H 1 2.368 0.012 . 2 . . . A 24 PHE HB3 . 11591 1 230 . 1 1 24 24 PHE H H 1 7.205 0.001 . 1 . . . A 24 PHE H . 11591 1 231 . 1 1 24 24 PHE HZ H 1 6.693 0.014 . 1 . . . A 24 PHE HZ . 11591 1 232 . 1 1 24 24 PHE N N 15 115.93 0.072 . 1 . . . A 24 PHE N . 11591 1 233 . 1 1 24 24 PHE HD1 H 1 7.061 0.021 . 1 . . . A 24 PHE HD1 . 11591 1 234 . 1 1 24 24 PHE HD2 H 1 7.061 0.021 . 1 . . . A 24 PHE HD2 . 11591 1 235 . 1 1 24 24 PHE HE1 H 1 6.145 0.013 . 1 . . . A 24 PHE HE1 . 11591 1 236 . 1 1 24 24 PHE HE2 H 1 6.145 0.013 . 1 . . . A 24 PHE HE2 . 11591 1 237 . 1 1 25 25 ASP CA C 13 52.022 0.085 . 1 . . . A 25 ASP CA . 11591 1 238 . 1 1 25 25 ASP CB C 13 40.928 0.125 . 1 . . . A 25 ASP CB . 11591 1 239 . 1 1 25 25 ASP C C 13 177.857 0.006 . 1 . . . A 25 ASP C . 11591 1 240 . 1 1 25 25 ASP HA H 1 4.923 0.01 . 1 . . . A 25 ASP HA . 11591 1 241 . 1 1 25 25 ASP HB2 H 1 3.087 0.042 . 2 . . . A 25 ASP HB2 . 11591 1 242 . 1 1 25 25 ASP HB3 H 1 2.581 0.017 . 2 . . . A 25 ASP HB3 . 11591 1 243 . 1 1 25 25 ASP H H 1 8.257 0.003 . 1 . . . A 25 ASP H . 11591 1 244 . 1 1 25 25 ASP N N 15 117.882 0.07 . 1 . . . A 25 ASP N . 11591 1 245 . 1 1 26 26 GLY CA C 13 45.647 0.094 . 1 . . . A 26 GLY CA . 11591 1 246 . 1 1 26 26 GLY C C 13 173.586 0.016 . 1 . . . A 26 GLY C . 11591 1 247 . 1 1 26 26 GLY HA2 H 1 3.876 0.012 . 2 . . . A 26 GLY HA2 . 11591 1 248 . 1 1 26 26 GLY HA3 H 1 3.573 0.139 . 2 . . . A 26 GLY HA3 . 11591 1 249 . 1 1 26 26 GLY H H 1 9.318 0.002 . 1 . . . A 26 GLY H . 11591 1 250 . 1 1 26 26 GLY N N 15 113.407 0.056 . 1 . . . A 26 GLY N . 11591 1 251 . 1 1 27 27 SER CA C 13 55.232 0.13 . 1 . . . A 27 SER CA . 11591 1 252 . 1 1 27 27 SER CB C 13 62.883 0.117 . 1 . . . A 27 SER CB . 11591 1 253 . 1 1 27 27 SER C C 13 177.881 0 . 1 . . . A 27 SER C . 11591 1 254 . 1 1 27 27 SER HA H 1 4.943 0.03 . 1 . . . A 27 SER HA . 11591 1 255 . 1 1 27 27 SER HB2 H 1 3.893 0.006 . 2 . . . A 27 SER HB2 . 11591 1 256 . 1 1 27 27 SER HB3 H 1 3.572 0.016 . 2 . . . A 27 SER HB3 . 11591 1 257 . 1 1 27 27 SER H H 1 7.728 0.004 . 1 . . . A 27 SER H . 11591 1 258 . 1 1 27 27 SER N N 15 111.779 0.024 . 1 . . . A 27 SER N . 11591 1 259 . 1 1 28 28 SER CA C 13 59.808 0.03 . 1 . . . A 28 SER CA . 11591 1 260 . 1 1 28 28 SER CB C 13 62.122 0.012 . 1 . . . A 28 SER CB . 11591 1 261 . 1 1 28 28 SER C C 13 170.941 0 . 1 . . . A 28 SER C . 11591 1 262 . 1 1 28 28 SER H H 1 9.784 0 . 1 . . . A 28 SER H . 11591 1 263 . 1 1 28 28 SER HA H 1 4.192 0.011 . 1 . . . A 28 SER HA . 11591 1 264 . 1 1 28 28 SER HB2 H 1 3.666 0.042 . 2 . . . A 28 SER HB2 . 11591 1 265 . 1 1 28 28 SER HB3 H 1 3.582 0.022 . 2 . . . A 28 SER HB3 . 11591 1 266 . 1 1 28 28 SER N N 15 130.08 0 . 1 . . . A 28 SER N . 11591 1 267 . 1 1 29 29 THR CA C 13 61.926 0.217 . 1 . . . A 29 THR CA . 11591 1 268 . 1 1 29 29 THR CB C 13 67.869 0.149 . 1 . . . A 29 THR CB . 11591 1 269 . 1 1 29 29 THR CG2 C 13 21.246 0.095 . 1 . . . A 29 THR CG2 . 11591 1 270 . 1 1 29 29 THR C C 13 174.836 0.003 . 1 . . . A 29 THR C . 11591 1 271 . 1 1 29 29 THR HA H 1 4.193 0.009 . 1 . . . A 29 THR HA . 11591 1 272 . 1 1 29 29 THR HB H 1 4.434 0.006 . 1 . . . A 29 THR HB . 11591 1 273 . 1 1 29 29 THR H H 1 8.081 0.001 . 1 . . . A 29 THR H . 11591 1 274 . 1 1 29 29 THR N N 15 106.702 0.035 . 1 . . . A 29 THR N . 11591 1 275 . 1 1 29 29 THR HG21 H 1 0.846 0.012 . 1 . . . A 29 THR HG21 . 11591 1 276 . 1 1 29 29 THR HG22 H 1 0.846 0.012 . 1 . . . A 29 THR HG22 . 11591 1 277 . 1 1 29 29 THR HG23 H 1 0.846 0.012 . 1 . . . A 29 THR HG23 . 11591 1 278 . 1 1 30 30 THR CA C 13 57.987 0.061 . 1 . . . A 30 THR CA . 11591 1 279 . 1 1 30 30 THR CB C 13 71.159 0.132 . 1 . . . A 30 THR CB . 11591 1 280 . 1 1 30 30 THR CG2 C 13 21.539 0.019 . 1 . . . A 30 THR CG2 . 11591 1 281 . 1 1 30 30 THR C C 13 175.48 0.016 . 1 . . . A 30 THR C . 11591 1 282 . 1 1 30 30 THR HA H 1 4.927 0.02 . 1 . . . A 30 THR HA . 11591 1 283 . 1 1 30 30 THR HB H 1 4.237 0.016 . 1 . . . A 30 THR HB . 11591 1 284 . 1 1 30 30 THR H H 1 7.435 0.002 . 1 . . . A 30 THR H . 11591 1 285 . 1 1 30 30 THR N N 15 111.456 0.057 . 1 . . . A 30 THR N . 11591 1 286 . 1 1 30 30 THR HG21 H 1 1.174 0.017 . 1 . . . A 30 THR HG21 . 11591 1 287 . 1 1 30 30 THR HG22 H 1 1.174 0.017 . 1 . . . A 30 THR HG22 . 11591 1 288 . 1 1 30 30 THR HG23 H 1 1.174 0.017 . 1 . . . A 30 THR HG23 . 11591 1 289 . 1 1 31 31 ARG CA C 13 53.506 0.082 . 1 . . . A 31 ARG CA . 11591 1 290 . 1 1 31 31 ARG CB C 13 32.65 0.174 . 1 . . . A 31 ARG CB . 11591 1 291 . 1 1 31 31 ARG C C 13 174.739 0.002 . 1 . . . A 31 ARG C . 11591 1 292 . 1 1 31 31 ARG H H 1 10.328 0.013 . 1 . . . A 31 ARG H . 11591 1 293 . 1 1 31 31 ARG HA H 1 5.141 0.014 . 1 . . . A 31 ARG HA . 11591 1 294 . 1 1 31 31 ARG HB2 H 1 2.298 0.015 . 2 . . . A 31 ARG HB2 . 11591 1 295 . 1 1 31 31 ARG H H 1 10.33 0.001 . 1 . . . A 31 ARG H . 11591 1 296 . 1 1 31 31 ARG N N 15 126.096 0.056 . 1 . . . A 31 ARG N . 11591 1 297 . 1 1 32 32 TRP CA C 13 56.017 0.134 . 1 . . . A 32 TRP CA . 11591 1 298 . 1 1 32 32 TRP CB C 13 30.256 0.136 . 1 . . . A 32 TRP CB . 11591 1 299 . 1 1 32 32 TRP CD1 C 13 127.345 0.095 . 1 . . . A 32 TRP CD1 . 11591 1 300 . 1 1 32 32 TRP C C 13 177.428 0.033 . 1 . . . A 32 TRP C . 11591 1 301 . 1 1 32 32 TRP CZ2 C 13 114.498 0.046 . 1 . . . A 32 TRP CZ2 . 11591 1 302 . 1 1 32 32 TRP HA H 1 4.669 0.023 . 1 . . . A 32 TRP HA . 11591 1 303 . 1 1 32 32 TRP HB2 H 1 3.174 0.021 . 2 . . . A 32 TRP HB2 . 11591 1 304 . 1 1 32 32 TRP HB3 H 1 2.678 0.017 . 2 . . . A 32 TRP HB3 . 11591 1 305 . 1 1 32 32 TRP HD1 H 1 7.51 0.006 . 1 . . . A 32 TRP HD1 . 11591 1 306 . 1 1 32 32 TRP HE1 H 1 9.999 0.004 . 1 . . . A 32 TRP HE1 . 11591 1 307 . 1 1 32 32 TRP H H 1 7.485 0.001 . 1 . . . A 32 TRP H . 11591 1 308 . 1 1 32 32 TRP HZ2 H 1 7.075 0.01 . 1 . . . A 32 TRP HZ2 . 11591 1 309 . 1 1 32 32 TRP N N 15 118.961 0.079 . 1 . . . A 32 TRP N . 11591 1 310 . 1 1 32 32 TRP NE1 N 15 130.253 0.028 . 1 . . . A 32 TRP NE1 . 11591 1 311 . 1 1 33 33 ALA CA C 13 51.308 0.082 . 1 . . . A 33 ALA CA . 11591 1 312 . 1 1 33 33 ALA CB C 13 21.575 0.123 . 1 . . . A 33 ALA CB . 11591 1 313 . 1 1 33 33 ALA C C 13 174.704 0.004 . 1 . . . A 33 ALA C . 11591 1 314 . 1 1 33 33 ALA HA H 1 4.014 0.02 . 1 . . . A 33 ALA HA . 11591 1 315 . 1 1 33 33 ALA H H 1 7.753 0.003 . 1 . . . A 33 ALA H . 11591 1 316 . 1 1 33 33 ALA N N 15 135.712 0.032 . 1 . . . A 33 ALA N . 11591 1 317 . 1 1 33 33 ALA HB1 H 1 0.654 0.015 . 1 . . . A 33 ALA HB1 . 11591 1 318 . 1 1 33 33 ALA HB2 H 1 0.654 0.015 . 1 . . . A 33 ALA HB2 . 11591 1 319 . 1 1 33 33 ALA HB3 H 1 0.654 0.015 . 1 . . . A 33 ALA HB3 . 11591 1 320 . 1 1 34 34 SER CA C 13 57.231 0.137 . 1 . . . A 34 SER CA . 11591 1 321 . 1 1 34 34 SER CB C 13 65.996 0.184 . 1 . . . A 34 SER CB . 11591 1 322 . 1 1 34 34 SER C C 13 173.182 0.002 . 1 . . . A 34 SER C . 11591 1 323 . 1 1 34 34 SER HA H 1 4.051 0.012 . 1 . . . A 34 SER HA . 11591 1 324 . 1 1 34 34 SER HB2 H 1 3.784 0.014 . 2 . . . A 34 SER HB2 . 11591 1 325 . 1 1 34 34 SER HB3 H 1 3.417 0.01 . 2 . . . A 34 SER HB3 . 11591 1 326 . 1 1 34 34 SER H H 1 7.811 0.002 . 1 . . . A 34 SER H . 11591 1 327 . 1 1 34 34 SER N N 15 117.328 0.044 . 1 . . . A 34 SER N . 11591 1 328 . 1 1 35 35 ALA CA C 13 52.738 0.052 . 1 . . . A 35 ALA CA . 11591 1 329 . 1 1 35 35 ALA CB C 13 18.196 0.08 . 1 . . . A 35 ALA CB . 11591 1 330 . 1 1 35 35 ALA C C 13 179.335 0.04 . 1 . . . A 35 ALA C . 11591 1 331 . 1 1 35 35 ALA HA H 1 4.064 0.013 . 1 . . . A 35 ALA HA . 11591 1 332 . 1 1 35 35 ALA H H 1 8.292 0.001 . 1 . . . A 35 ALA H . 11591 1 333 . 1 1 35 35 ALA N N 15 118.691 0.06 . 1 . . . A 35 ALA N . 11591 1 334 . 1 1 35 35 ALA HB1 H 1 1.176 0.017 . 1 . . . A 35 ALA HB1 . 11591 1 335 . 1 1 35 35 ALA HB2 H 1 1.176 0.017 . 1 . . . A 35 ALA HB2 . 11591 1 336 . 1 1 35 35 ALA HB3 H 1 1.176 0.017 . 1 . . . A 35 ALA HB3 . 11591 1 337 . 1 1 36 36 GLU CA C 13 56.426 0.096 . 1 . . . A 36 GLU CA . 11591 1 338 . 1 1 36 36 GLU CB C 13 31.257 0.068 . 1 . . . A 36 GLU CB . 11591 1 339 . 1 1 36 36 GLU CG C 13 36.21 0.128 . 1 . . . A 36 GLU CG . 11591 1 340 . 1 1 36 36 GLU C C 13 176.954 0.008 . 1 . . . A 36 GLU C . 11591 1 341 . 1 1 36 36 GLU HA H 1 3.666 0.009 . 1 . . . A 36 GLU HA . 11591 1 342 . 1 1 36 36 GLU HB2 H 1 1.703 0.016 . 2 . . . A 36 GLU HB2 . 11591 1 343 . 1 1 36 36 GLU HG2 H 1 2.046 0.015 . 2 . . . A 36 GLU HG2 . 11591 1 344 . 1 1 36 36 GLU H H 1 8.949 0.001 . 1 . . . A 36 GLU H . 11591 1 345 . 1 1 36 36 GLU N N 15 123.701 0.034 . 1 . . . A 36 GLU N . 11591 1 346 . 1 1 37 37 GLY CA C 13 46.367 0.196 . 1 . . . A 37 GLY CA . 11591 1 347 . 1 1 37 37 GLY C C 13 173.848 0.006 . 1 . . . A 37 GLY C . 11591 1 348 . 1 1 37 37 GLY HA2 H 1 3.815 0.13 . 2 . . . A 37 GLY HA2 . 11591 1 349 . 1 1 37 37 GLY HA3 H 1 3.55 0.132 . 2 . . . A 37 GLY HA3 . 11591 1 350 . 1 1 37 37 GLY H H 1 7.354 0.001 . 1 . . . A 37 GLY H . 11591 1 351 . 1 1 37 37 GLY N N 15 107.322 0.045 . 1 . . . A 37 GLY N . 11591 1 352 . 1 1 38 38 VAL CA C 13 61.692 0.061 . 1 . . . A 38 VAL CA . 11591 1 353 . 1 1 38 38 VAL CB C 13 36.049 0.081 . 1 . . . A 38 VAL CB . 11591 1 354 . 1 1 38 38 VAL CG1 C 13 20.406 0.224 . 1 . . . A 38 VAL CG1 . 11591 1 355 . 1 1 38 38 VAL C C 13 174.413 0.005 . 1 . . . A 38 VAL C . 11591 1 356 . 1 1 38 38 VAL HA H 1 4.248 0.012 . 1 . . . A 38 VAL HA . 11591 1 357 . 1 1 38 38 VAL HB H 1 1.301 0.012 . 1 . . . A 38 VAL HB . 11591 1 358 . 1 1 38 38 VAL H H 1 8.136 0.002 . 1 . . . A 38 VAL H . 11591 1 359 . 1 1 38 38 VAL N N 15 118.967 0.086 . 1 . . . A 38 VAL N . 11591 1 360 . 1 1 38 38 VAL HG11 H 1 0.689 0.011 . 2 . . . A 38 VAL HG11 . 11591 1 361 . 1 1 38 38 VAL HG12 H 1 0.689 0.011 . 2 . . . A 38 VAL HG12 . 11591 1 362 . 1 1 38 38 VAL HG13 H 1 0.689 0.011 . 2 . . . A 38 VAL HG13 . 11591 1 363 . 1 1 38 38 VAL HG21 H 1 0.725 0.004 . 2 . . . A 38 VAL HG21 . 11591 1 364 . 1 1 38 38 VAL HG22 H 1 0.725 0.004 . 2 . . . A 38 VAL HG22 . 11591 1 365 . 1 1 38 38 VAL HG23 H 1 0.725 0.004 . 2 . . . A 38 VAL HG23 . 11591 1 366 . 1 1 39 39 ASP CA C 13 51.786 0.067 . 1 . . . A 39 ASP CA . 11591 1 367 . 1 1 39 39 ASP CB C 13 43.872 0.095 . 1 . . . A 39 ASP CB . 11591 1 368 . 1 1 39 39 ASP C C 13 173.693 0 . 1 . . . A 39 ASP C . 11591 1 369 . 1 1 39 39 ASP HA H 1 5.962 0.005 . 1 . . . A 39 ASP HA . 11591 1 370 . 1 1 39 39 ASP HB2 H 1 2.693 0.015 . 2 . . . A 39 ASP HB2 . 11591 1 371 . 1 1 39 39 ASP HB3 H 1 2.312 0.028 . 2 . . . A 39 ASP HB3 . 11591 1 372 . 1 1 39 39 ASP H H 1 8.956 0 . 1 . . . A 39 ASP H . 11591 1 373 . 1 1 39 39 ASP N N 15 129.581 0.08 . 1 . . . A 39 ASP N . 11591 1 374 . 1 1 40 40 PRO CA C 13 62.984 0.06 . 1 . . . A 40 PRO CA . 11591 1 375 . 1 1 40 40 PRO CB C 13 37.33 0.047 . 1 . . . A 40 PRO CB . 11591 1 376 . 1 1 40 40 PRO CD C 13 50.072 0.034 . 1 . . . A 40 PRO CD . 11591 1 377 . 1 1 40 40 PRO CG C 13 23.571 0.02 . 1 . . . A 40 PRO CG . 11591 1 378 . 1 1 40 40 PRO C C 13 175.779 0 . 1 . . . A 40 PRO C . 11591 1 379 . 1 1 40 40 PRO HA H 1 4.79 0.022 . 1 . . . A 40 PRO HA . 11591 1 380 . 1 1 40 40 PRO HB2 H 1 2.212 0.025 . 2 . . . A 40 PRO HB2 . 11591 1 381 . 1 1 40 40 PRO HB3 H 1 1.577 0.009 . 2 . . . A 40 PRO HB3 . 11591 1 382 . 1 1 40 40 PRO HD2 H 1 3.495 0.02 . 2 . . . A 40 PRO HD2 . 11591 1 383 . 1 1 40 40 PRO HD3 H 1 3.407 0.001 . 2 . . . A 40 PRO HD3 . 11591 1 384 . 1 1 40 40 PRO HG2 H 1 2.02 0.007 . 2 . . . A 40 PRO HG2 . 11591 1 385 . 1 1 40 40 PRO HG3 H 1 1.562 0.012 . 2 . . . A 40 PRO HG3 . 11591 1 386 . 1 1 41 41 GLN CA C 13 54.084 0.151 . 1 . . . A 41 GLN CA . 11591 1 387 . 1 1 41 41 GLN CB C 13 30.534 0.197 . 1 . . . A 41 GLN CB . 11591 1 388 . 1 1 41 41 GLN C C 13 172.67 0.008 . 1 . . . A 41 GLN C . 11591 1 389 . 1 1 41 41 GLN HA H 1 4.147 0.015 . 1 . . . A 41 GLN HA . 11591 1 390 . 1 1 41 41 GLN HB2 H 1 2.686 0.019 . 1 . . . A 41 GLN HB2 . 11591 1 391 . 1 1 41 41 GLN HE21 H 1 7.762 0.013 . 2 . . . A 41 GLN HE21 . 11591 1 392 . 1 1 41 41 GLN HE22 H 1 6.912 0.005 . 2 . . . A 41 GLN HE22 . 11591 1 393 . 1 1 41 41 GLN HG2 H 1 1.278 0.014 . 1 . . . A 41 GLN HG2 . 11591 1 394 . 1 1 41 41 GLN H H 1 8.029 0.001 . 1 . . . A 41 GLN H . 11591 1 395 . 1 1 41 41 GLN N N 15 112.108 0.046 . 1 . . . A 41 GLN N . 11591 1 396 . 1 1 41 41 GLN NE2 N 15 116.968 0.046 . 1 . . . A 41 GLN NE2 . 11591 1 397 . 1 1 42 42 TRP CA C 13 54.11 0.12 . 1 . . . A 42 TRP CA . 11591 1 398 . 1 1 42 42 TRP CB C 13 34.017 0.177 . 1 . . . A 42 TRP CB . 11591 1 399 . 1 1 42 42 TRP CD1 C 13 119.8 0.131 . 1 . . . A 42 TRP CD1 . 11591 1 400 . 1 1 42 42 TRP C C 13 173.365 0.01 . 1 . . . A 42 TRP C . 11591 1 401 . 1 1 42 42 TRP CZ2 C 13 115.319 0.048 . 1 . . . A 42 TRP CZ2 . 11591 1 402 . 1 1 42 42 TRP HA H 1 5.43 0.014 . 1 . . . A 42 TRP HA . 11591 1 403 . 1 1 42 42 TRP HB2 H 1 3.282 0.011 . 2 . . . A 42 TRP HB2 . 11591 1 404 . 1 1 42 42 TRP HB3 H 1 3.039 0.008 . 2 . . . A 42 TRP HB3 . 11591 1 405 . 1 1 42 42 TRP HD1 H 1 7.045 0.021 . 1 . . . A 42 TRP HD1 . 11591 1 406 . 1 1 42 42 TRP HE1 H 1 10.353 0.005 . 1 . . . A 42 TRP HE1 . 11591 1 407 . 1 1 42 42 TRP H H 1 8.922 0 . 1 . . . A 42 TRP H . 11591 1 408 . 1 1 42 42 TRP HZ2 H 1 7.429 0.006 . 1 . . . A 42 TRP HZ2 . 11591 1 409 . 1 1 42 42 TRP N N 15 113.33 0.057 . 1 . . . A 42 TRP N . 11591 1 410 . 1 1 42 42 TRP NE1 N 15 131.24 0.016 . 1 . . . A 42 TRP NE1 . 11591 1 411 . 1 1 43 43 ILE CA C 13 59.434 0.178 . 1 . . . A 43 ILE CA . 11591 1 412 . 1 1 43 43 ILE CB C 13 39.824 0.145 . 1 . . . A 43 ILE CB . 11591 1 413 . 1 1 43 43 ILE CD1 C 13 15.056 0.079 . 1 . . . A 43 ILE CD1 . 11591 1 414 . 1 1 43 43 ILE CG1 C 13 27.83 0.057 . 1 . . . A 43 ILE CG1 . 11591 1 415 . 1 1 43 43 ILE CG2 C 13 14.903 0.026 . 1 . . . A 43 ILE CG2 . 11591 1 416 . 1 1 43 43 ILE C C 13 172.836 0.008 . 1 . . . A 43 ILE C . 11591 1 417 . 1 1 43 43 ILE HA H 1 4.846 0.012 . 1 . . . A 43 ILE HA . 11591 1 418 . 1 1 43 43 ILE HB H 1 0.191 0.02 . 1 . . . A 43 ILE HB . 11591 1 419 . 1 1 43 43 ILE H H 1 8.555 0.002 . 1 . . . A 43 ILE H . 11591 1 420 . 1 1 43 43 ILE N N 15 115.853 0.045 . 1 . . . A 43 ILE N . 11591 1 421 . 1 1 43 43 ILE HD11 H 1 0.078 0.017 . 1 . . . A 43 ILE HD11 . 11591 1 422 . 1 1 43 43 ILE HD12 H 1 0.078 0.017 . 1 . . . A 43 ILE HD12 . 11591 1 423 . 1 1 43 43 ILE HD13 H 1 0.078 0.017 . 1 . . . A 43 ILE HD13 . 11591 1 424 . 1 1 43 43 ILE HG21 H 1 0.514 0.014 . 1 . . . A 43 ILE HG21 . 11591 1 425 . 1 1 43 43 ILE HG22 H 1 0.514 0.014 . 1 . . . A 43 ILE HG22 . 11591 1 426 . 1 1 43 43 ILE HG23 H 1 0.514 0.014 . 1 . . . A 43 ILE HG23 . 11591 1 427 . 1 1 44 44 TYR CA C 13 55.118 0.066 . 1 . . . A 44 TYR CA . 11591 1 428 . 1 1 44 44 TYR CB C 13 43.903 0.255 . 1 . . . A 44 TYR CB . 11591 1 429 . 1 1 44 44 TYR C C 13 171.256 0.001 . 1 . . . A 44 TYR C . 11591 1 430 . 1 1 44 44 TYR HA H 1 6.139 0.011 . 1 . . . A 44 TYR HA . 11591 1 431 . 1 1 44 44 TYR HB2 H 1 3.313 0.012 . 2 . . . A 44 TYR HB2 . 11591 1 432 . 1 1 44 44 TYR HB3 H 1 2.289 0.009 . 2 . . . A 44 TYR HB3 . 11591 1 433 . 1 1 44 44 TYR H H 1 9.662 0.001 . 1 . . . A 44 TYR H . 11591 1 434 . 1 1 44 44 TYR N N 15 124.145 0.033 . 1 . . . A 44 TYR N . 11591 1 435 . 1 1 45 45 VAL CA C 13 57.534 0.117 . 1 . . . A 45 VAL CA . 11591 1 436 . 1 1 45 45 VAL CB C 13 34.363 0.112 . 1 . . . A 45 VAL CB . 11591 1 437 . 1 1 45 45 VAL CG1 C 13 22.483 0.092 . 1 . . . A 45 VAL CG1 . 11591 1 438 . 1 1 45 45 VAL CG2 C 13 17.085 0.061 . 1 . . . A 45 VAL CG2 . 11591 1 439 . 1 1 45 45 VAL C C 13 172.163 0.003 . 1 . . . A 45 VAL C . 11591 1 440 . 1 1 45 45 VAL HA H 1 4.482 0.014 . 1 . . . A 45 VAL HA . 11591 1 441 . 1 1 45 45 VAL HB H 1 0.839 0.023 . 1 . . . A 45 VAL HB . 11591 1 442 . 1 1 45 45 VAL H H 1 8.608 0 . 1 . . . A 45 VAL H . 11591 1 443 . 1 1 45 45 VAL N N 15 117.495 0.048 . 1 . . . A 45 VAL N . 11591 1 444 . 1 1 45 45 VAL HG11 H 1 0.024 0.014 . 2 . . . A 45 VAL HG11 . 11591 1 445 . 1 1 45 45 VAL HG12 H 1 0.024 0.014 . 2 . . . A 45 VAL HG12 . 11591 1 446 . 1 1 45 45 VAL HG13 H 1 0.024 0.014 . 2 . . . A 45 VAL HG13 . 11591 1 447 . 1 1 45 45 VAL HG21 H 1 0.4 0.094 . 2 . . . A 45 VAL HG21 . 11591 1 448 . 1 1 45 45 VAL HG22 H 1 0.4 0.094 . 2 . . . A 45 VAL HG22 . 11591 1 449 . 1 1 45 45 VAL HG23 H 1 0.4 0.094 . 2 . . . A 45 VAL HG23 . 11591 1 450 . 1 1 46 46 ASN CA C 13 50.398 0.126 . 1 . . . A 46 ASN CA . 11591 1 451 . 1 1 46 46 ASN CB C 13 39.072 0.123 . 1 . . . A 46 ASN CB . 11591 1 452 . 1 1 46 46 ASN C C 13 175.542 0.023 . 1 . . . A 46 ASN C . 11591 1 453 . 1 1 46 46 ASN HA H 1 4.754 0.027 . 1 . . . A 46 ASN HA . 11591 1 454 . 1 1 46 46 ASN HB2 H 1 3.085 0.016 . 2 . . . A 46 ASN HB2 . 11591 1 455 . 1 1 46 46 ASN HB3 H 1 2.654 0.026 . 2 . . . A 46 ASN HB3 . 11591 1 456 . 1 1 46 46 ASN HD21 H 1 7.427 0.003 . 2 . . . A 46 ASN HD21 . 11591 1 457 . 1 1 46 46 ASN HD22 H 1 6.553 0.005 . 2 . . . A 46 ASN HD22 . 11591 1 458 . 1 1 46 46 ASN H H 1 7.925 0.001 . 1 . . . A 46 ASN H . 11591 1 459 . 1 1 46 46 ASN N N 15 124.23 0.041 . 1 . . . A 46 ASN N . 11591 1 460 . 1 1 46 46 ASN ND2 N 15 106.991 0.024 . 1 . . . A 46 ASN ND2 . 11591 1 461 . 1 1 47 47 LEU CA C 13 56.134 0.125 . 1 . . . A 47 LEU CA . 11591 1 462 . 1 1 47 47 LEU CB C 13 41.177 0.117 . 1 . . . A 47 LEU CB . 11591 1 463 . 1 1 47 47 LEU CD1 C 13 25.771 0.073 . 1 . . . A 47 LEU CD1 . 11591 1 464 . 1 1 47 47 LEU CD2 C 13 22.016 0.079 . 1 . . . A 47 LEU CD2 . 11591 1 465 . 1 1 47 47 LEU CG C 13 22.869 0 . 1 . . . A 47 LEU CG . 11591 1 466 . 1 1 47 47 LEU C C 13 178.398 0 . 1 . . . A 47 LEU C . 11591 1 467 . 1 1 47 47 LEU HA H 1 3.743 0.014 . 1 . . . A 47 LEU HA . 11591 1 468 . 1 1 47 47 LEU HB2 H 1 1.941 0.023 . 2 . . . A 47 LEU HB2 . 11591 1 469 . 1 1 47 47 LEU HB3 H 1 1.463 0.017 . 2 . . . A 47 LEU HB3 . 11591 1 470 . 1 1 47 47 LEU HG H 1 0.934 0.022 . 1 . . . A 47 LEU HG . 11591 1 471 . 1 1 47 47 LEU H H 1 9.342 0.002 . 1 . . . A 47 LEU H . 11591 1 472 . 1 1 47 47 LEU N N 15 122.386 0.049 . 1 . . . A 47 LEU N . 11591 1 473 . 1 1 47 47 LEU HD11 H 1 0.61 0.016 . 2 . . . A 47 LEU HD11 . 11591 1 474 . 1 1 47 47 LEU HD12 H 1 0.61 0.016 . 2 . . . A 47 LEU HD12 . 11591 1 475 . 1 1 47 47 LEU HD13 H 1 0.61 0.016 . 2 . . . A 47 LEU HD13 . 11591 1 476 . 1 1 47 47 LEU HD21 H 1 0.407 0.012 . 2 . . . A 47 LEU HD21 . 11591 1 477 . 1 1 47 47 LEU HD22 H 1 0.407 0.012 . 2 . . . A 47 LEU HD22 . 11591 1 478 . 1 1 47 47 LEU HD23 H 1 0.407 0.012 . 2 . . . A 47 LEU HD23 . 11591 1 479 . 1 1 48 48 GLY CA C 13 45.524 0.089 . 1 . . . A 48 GLY CA . 11591 1 480 . 1 1 48 48 GLY C C 13 173.027 0.007 . 1 . . . A 48 GLY C . 11591 1 481 . 1 1 48 48 GLY HA2 H 1 4.22 0.015 . 2 . . . A 48 GLY HA2 . 11591 1 482 . 1 1 48 48 GLY HA3 H 1 3.193 0.009 . 2 . . . A 48 GLY HA3 . 11591 1 483 . 1 1 48 48 GLY H H 1 8.658 0 . 1 . . . A 48 GLY H . 11591 1 484 . 1 1 48 48 GLY N N 15 108.598 0.05 . 1 . . . A 48 GLY N . 11591 1 485 . 1 1 49 49 SER CA C 13 56.455 0.137 . 1 . . . A 49 SER CA . 11591 1 486 . 1 1 49 49 SER CB C 13 63.761 0.148 . 1 . . . A 49 SER CB . 11591 1 487 . 1 1 49 49 SER C C 13 172.665 0.008 . 1 . . . A 49 SER C . 11591 1 488 . 1 1 49 49 SER HA H 1 4.231 0.015 . 1 . . . A 49 SER HA . 11591 1 489 . 1 1 49 49 SER HB2 H 1 3.904 0.016 . 2 . . . A 49 SER HB2 . 11591 1 490 . 1 1 49 49 SER HB3 H 1 3.692 0.01 . 2 . . . A 49 SER HB3 . 11591 1 491 . 1 1 49 49 SER H H 1 7.352 0 . 1 . . . A 49 SER H . 11591 1 492 . 1 1 49 49 SER N N 15 112.064 0.027 . 1 . . . A 49 SER N . 11591 1 493 . 1 1 50 50 SER CA C 13 60.094 0.094 . 1 . . . A 50 SER CA . 11591 1 494 . 1 1 50 50 SER CB C 13 62.292 0.073 . 1 . . . A 50 SER CB . 11591 1 495 . 1 1 50 50 SER C C 13 174.126 0 . 1 . . . A 50 SER C . 11591 1 496 . 1 1 50 50 SER HA H 1 4.075 0.015 . 1 . . . A 50 SER HA . 11591 1 497 . 1 1 50 50 SER H H 1 8.505 0 . 1 . . . A 50 SER H . 11591 1 498 . 1 1 50 50 SER N N 15 116.218 0.051 . 1 . . . A 50 SER N . 11591 1 499 . 1 1 50 50 SER HB2 H 1 3.506 0.009 . 1 . . . A 50 SER HB2 . 11591 1 500 . 1 1 50 50 SER HB3 H 1 3.506 0.009 . 1 . . . A 50 SER HB3 . 11591 1 501 . 1 1 51 51 GLN CA C 13 53.574 0.138 . 1 . . . A 51 GLN CA . 11591 1 502 . 1 1 51 51 GLN CB C 13 32.895 0.062 . 1 . . . A 51 GLN CB . 11591 1 503 . 1 1 51 51 GLN C C 13 174.156 0.001 . 1 . . . A 51 GLN C . 11591 1 504 . 1 1 51 51 GLN H H 1 8.779 0.01 . 1 . . . A 51 GLN H . 11591 1 505 . 1 1 51 51 GLN HA H 1 4.593 0.02 . 1 . . . A 51 GLN HA . 11591 1 506 . 1 1 51 51 GLN HB2 H 1 1.978 0.016 . 2 . . . A 51 GLN HB2 . 11591 1 507 . 1 1 51 51 GLN HB3 H 1 1.685 0.017 . 2 . . . A 51 GLN HB3 . 11591 1 508 . 1 1 51 51 GLN HE21 H 1 7.047 0.007 . 2 . . . A 51 GLN HE21 . 11591 1 509 . 1 1 51 51 GLN HE22 H 1 6.241 0.005 . 2 . . . A 51 GLN HE22 . 11591 1 510 . 1 1 51 51 GLN HG2 H 1 2.311 0.018 . 1 . . . A 51 GLN HG2 . 11591 1 511 . 1 1 51 51 GLN N N 15 126.06 0.056 . 1 . . . A 51 GLN N . 11591 1 512 . 1 1 51 51 GLN NE2 N 15 110.073 0.01 . 1 . . . A 51 GLN NE2 . 11591 1 513 . 1 1 52 52 THR CA C 13 63.813 0.11 . 1 . . . A 52 THR CA . 11591 1 514 . 1 1 52 52 THR CB C 13 68.69 0.096 . 1 . . . A 52 THR CB . 11591 1 515 . 1 1 52 52 THR CG2 C 13 22.56 0.148 . 1 . . . A 52 THR CG2 . 11591 1 516 . 1 1 52 52 THR C C 13 173.559 0.012 . 1 . . . A 52 THR C . 11591 1 517 . 1 1 52 52 THR HA H 1 4.384 0.008 . 1 . . . A 52 THR HA . 11591 1 518 . 1 1 52 52 THR HB H 1 3.914 0.007 . 1 . . . A 52 THR HB . 11591 1 519 . 1 1 52 52 THR H H 1 8.377 0 . 1 . . . A 52 THR H . 11591 1 520 . 1 1 52 52 THR N N 15 118.237 0.074 . 1 . . . A 52 THR N . 11591 1 521 . 1 1 52 52 THR HG21 H 1 1.054 0.018 . 1 . . . A 52 THR HG21 . 11591 1 522 . 1 1 52 52 THR HG22 H 1 1.054 0.018 . 1 . . . A 52 THR HG22 . 11591 1 523 . 1 1 52 52 THR HG23 H 1 1.054 0.018 . 1 . . . A 52 THR HG23 . 11591 1 524 . 1 1 53 53 VAL CA C 13 59.756 0.162 . 1 . . . A 53 VAL CA . 11591 1 525 . 1 1 53 53 VAL CB C 13 35.853 0.15 . 1 . . . A 53 VAL CB . 11591 1 526 . 1 1 53 53 VAL CG1 C 13 21.067 0.136 . 1 . . . A 53 VAL CG1 . 11591 1 527 . 1 1 53 53 VAL C C 13 174.466 0.008 . 1 . . . A 53 VAL C . 11591 1 528 . 1 1 53 53 VAL HA H 1 4.671 0.016 . 1 . . . A 53 VAL HA . 11591 1 529 . 1 1 53 53 VAL HB H 1 1.989 0.019 . 1 . . . A 53 VAL HB . 11591 1 530 . 1 1 53 53 VAL H H 1 8.931 0.002 . 1 . . . A 53 VAL H . 11591 1 531 . 1 1 53 53 VAL N N 15 121.529 0.031 . 1 . . . A 53 VAL N . 11591 1 532 . 1 1 53 53 VAL HG11 H 1 0.838 0.006 . 1 . . . A 53 VAL HG11 . 11591 1 533 . 1 1 53 53 VAL HG12 H 1 0.838 0.006 . 1 . . . A 53 VAL HG12 . 11591 1 534 . 1 1 53 53 VAL HG13 H 1 0.838 0.006 . 1 . . . A 53 VAL HG13 . 11591 1 535 . 1 1 54 54 ASN CA C 13 52.037 0.117 . 1 . . . A 54 ASN CA . 11591 1 536 . 1 1 54 54 ASN CB C 13 40.372 0.046 . 1 . . . A 54 ASN CB . 11591 1 537 . 1 1 54 54 ASN C C 13 172.658 0.003 . 1 . . . A 54 ASN C . 11591 1 538 . 1 1 54 54 ASN HA H 1 4.006 0.024 . 1 . . . A 54 ASN HA . 11591 1 539 . 1 1 54 54 ASN HB2 H 1 3.225 0.01 . 2 . . . A 54 ASN HB2 . 11591 1 540 . 1 1 54 54 ASN HB3 H 1 2.226 0.019 . 2 . . . A 54 ASN HB3 . 11591 1 541 . 1 1 54 54 ASN HD21 H 1 6.971 0.008 . 2 . . . A 54 ASN HD21 . 11591 1 542 . 1 1 54 54 ASN HD22 H 1 6.16 0.01 . 2 . . . A 54 ASN HD22 . 11591 1 543 . 1 1 54 54 ASN H H 1 9.261 0 . 1 . . . A 54 ASN H . 11591 1 544 . 1 1 54 54 ASN N N 15 119.064 0.058 . 1 . . . A 54 ASN N . 11591 1 545 . 1 1 54 54 ASN ND2 N 15 108.231 0.02 . 1 . . . A 54 ASN ND2 . 11591 1 546 . 1 1 55 55 ARG CA C 13 54.62 0.098 . 1 . . . A 55 ARG CA . 11591 1 547 . 1 1 55 55 ARG CB C 13 33.04 0.061 . 1 . . . A 55 ARG CB . 11591 1 548 . 1 1 55 55 ARG C C 13 174.31 0.008 . 1 . . . A 55 ARG C . 11591 1 549 . 1 1 55 55 ARG HA H 1 5.133 0.014 . 1 . . . A 55 ARG HA . 11591 1 550 . 1 1 55 55 ARG HB2 H 1 1.674 0.017 . 2 . . . A 55 ARG HB2 . 11591 1 551 . 1 1 55 55 ARG HB3 H 1 1.365 0.01 . 2 . . . A 55 ARG HB3 . 11591 1 552 . 1 1 55 55 ARG H H 1 7.478 0 . 1 . . . A 55 ARG H . 11591 1 553 . 1 1 55 55 ARG N N 15 120.216 0.041 . 1 . . . A 55 ARG N . 11591 1 554 . 1 1 56 56 VAL CA C 13 59.757 0.128 . 1 . . . A 56 VAL CA . 11591 1 555 . 1 1 56 56 VAL CB C 13 37.118 0.127 . 1 . . . A 56 VAL CB . 11591 1 556 . 1 1 56 56 VAL CG1 C 13 21.699 0.133 . 1 . . . A 56 VAL CG1 . 11591 1 557 . 1 1 56 56 VAL C C 13 173.071 0 . 1 . . . A 56 VAL C . 11591 1 558 . 1 1 56 56 VAL HA H 1 5.197 0.02 . 1 . . . A 56 VAL HA . 11591 1 559 . 1 1 56 56 VAL HB H 1 1.852 0.014 . 1 . . . A 56 VAL HB . 11591 1 560 . 1 1 56 56 VAL H H 1 9.176 0.002 . 1 . . . A 56 VAL H . 11591 1 561 . 1 1 56 56 VAL N N 15 125.73 0.068 . 1 . . . A 56 VAL N . 11591 1 562 . 1 1 56 56 VAL HG11 H 1 0.848 0.027 . 1 . . . A 56 VAL HG11 . 11591 1 563 . 1 1 56 56 VAL HG12 H 1 0.848 0.027 . 1 . . . A 56 VAL HG12 . 11591 1 564 . 1 1 56 56 VAL HG13 H 1 0.848 0.027 . 1 . . . A 56 VAL HG13 . 11591 1 565 . 1 1 57 57 LYS CA C 13 54.429 0.087 . 1 . . . A 57 LYS CA . 11591 1 566 . 1 1 57 57 LYS CB C 13 36.085 0.111 . 1 . . . A 57 LYS CB . 11591 1 567 . 1 1 57 57 LYS CG C 13 25.022 0 . 1 . . . A 57 LYS CG . 11591 1 568 . 1 1 57 57 LYS C C 13 174.595 0 . 1 . . . A 57 LYS C . 11591 1 569 . 1 1 57 57 LYS H H 1 8.74 0.007 . 1 . . . A 57 LYS H . 11591 1 570 . 1 1 57 57 LYS HA H 1 5.346 0.015 . 1 . . . A 57 LYS HA . 11591 1 571 . 1 1 57 57 LYS HB2 H 1 1.829 0.029 . 2 . . . A 57 LYS HB2 . 11591 1 572 . 1 1 57 57 LYS HB3 H 1 1.531 0.012 . 2 . . . A 57 LYS HB3 . 11591 1 573 . 1 1 57 57 LYS N N 15 125.83 0.062 . 1 . . . A 57 LYS N . 11591 1 574 . 1 1 58 58 LEU CA C 13 52.442 0.087 . 1 . . . A 58 LEU CA . 11591 1 575 . 1 1 58 58 LEU CB C 13 42.691 0.062 . 1 . . . A 58 LEU CB . 11591 1 576 . 1 1 58 58 LEU CD1 C 13 23.091 0.061 . 1 . . . A 58 LEU CD1 . 11591 1 577 . 1 1 58 58 LEU CD2 C 13 25.756 0 . 1 . . . A 58 LEU CD2 . 11591 1 578 . 1 1 58 58 LEU C C 13 174.073 0 . 1 . . . A 58 LEU C . 11591 1 579 . 1 1 58 58 LEU HA H 1 4.502 0.017 . 1 . . . A 58 LEU HA . 11591 1 580 . 1 1 58 58 LEU HB2 H 1 1.499 0.016 . 2 . . . A 58 LEU HB2 . 11591 1 581 . 1 1 58 58 LEU H H 1 9.246 0.002 . 1 . . . A 58 LEU H . 11591 1 582 . 1 1 58 58 LEU N N 15 126.897 0.083 . 1 . . . A 58 LEU N . 11591 1 583 . 1 1 58 58 LEU HD11 H 1 -0.125 0.014 . 1 . . . A 58 LEU HD11 . 11591 1 584 . 1 1 58 58 LEU HD12 H 1 -0.125 0.014 . 1 . . . A 58 LEU HD12 . 11591 1 585 . 1 1 58 58 LEU HD13 H 1 -0.125 0.014 . 1 . . . A 58 LEU HD13 . 11591 1 586 . 1 1 58 58 LEU HD21 H 1 0.521 0.014 . 1 . . . A 58 LEU HD21 . 11591 1 587 . 1 1 58 58 LEU HD22 H 1 0.521 0.014 . 1 . . . A 58 LEU HD22 . 11591 1 588 . 1 1 58 58 LEU HD23 H 1 0.521 0.014 . 1 . . . A 58 LEU HD23 . 11591 1 589 . 1 1 59 59 ASN CA C 13 51.085 0.272 . 1 . . . A 59 ASN CA . 11591 1 590 . 1 1 59 59 ASN CB C 13 38.619 0.077 . 1 . . . A 59 ASN CB . 11591 1 591 . 1 1 59 59 ASN C C 13 174.758 0 . 1 . . . A 59 ASN C . 11591 1 592 . 1 1 59 59 ASN HA H 1 5.013 0.024 . 1 . . . A 59 ASN HA . 11591 1 593 . 1 1 59 59 ASN HB2 H 1 2.919 0.102 . 2 . . . A 59 ASN HB2 . 11591 1 594 . 1 1 59 59 ASN HB3 H 1 2.503 0.02 . 2 . . . A 59 ASN HB3 . 11591 1 595 . 1 1 59 59 ASN HD21 H 1 7.164 0.005 . 2 . . . A 59 ASN HD21 . 11591 1 596 . 1 1 59 59 ASN HD22 H 1 6.544 0.005 . 2 . . . A 59 ASN HD22 . 11591 1 597 . 1 1 59 59 ASN H H 1 8.097 0 . 1 . . . A 59 ASN H . 11591 1 598 . 1 1 59 59 ASN N N 15 120.859 0.089 . 1 . . . A 59 ASN N . 11591 1 599 . 1 1 59 59 ASN ND2 N 15 106.768 0.033 . 1 . . . A 59 ASN ND2 . 11591 1 600 . 1 1 60 60 TRP CA C 13 58.412 0.144 . 1 . . . A 60 TRP CA . 11591 1 601 . 1 1 60 60 TRP CB C 13 30.28 0.089 . 1 . . . A 60 TRP CB . 11591 1 602 . 1 1 60 60 TRP CD1 C 13 129.626 0.069 . 1 . . . A 60 TRP CD1 . 11591 1 603 . 1 1 60 60 TRP C C 13 177.084 0.023 . 1 . . . A 60 TRP C . 11591 1 604 . 1 1 60 60 TRP HA H 1 4.621 0.009 . 1 . . . A 60 TRP HA . 11591 1 605 . 1 1 60 60 TRP HB2 H 1 3.797 0.093 . 2 . . . A 60 TRP HB2 . 11591 1 606 . 1 1 60 60 TRP HB3 H 1 3.504 0.007 . 2 . . . A 60 TRP HB3 . 11591 1 607 . 1 1 60 60 TRP HD1 H 1 7.194 0.008 . 1 . . . A 60 TRP HD1 . 11591 1 608 . 1 1 60 60 TRP HE1 H 1 9.471 0.005 . 1 . . . A 60 TRP HE1 . 11591 1 609 . 1 1 60 60 TRP H H 1 8.67 0.001 . 1 . . . A 60 TRP H . 11591 1 610 . 1 1 60 60 TRP N N 15 124.216 0.056 . 1 . . . A 60 TRP N . 11591 1 611 . 1 1 60 60 TRP NE1 N 15 129.517 0.007 . 1 . . . A 60 TRP NE1 . 11591 1 612 . 1 1 61 61 GLU CA C 13 55.746 0.066 . 1 . . . A 61 GLU CA . 11591 1 613 . 1 1 61 61 GLU CB C 13 27.363 0.171 . 1 . . . A 61 GLU CB . 11591 1 614 . 1 1 61 61 GLU C C 13 175.764 0.008 . 1 . . . A 61 GLU C . 11591 1 615 . 1 1 61 61 GLU HA H 1 4.533 0.014 . 1 . . . A 61 GLU HA . 11591 1 616 . 1 1 61 61 GLU HB2 H 1 1.767 0.016 . 1 . . . A 61 GLU HB2 . 11591 1 617 . 1 1 61 61 GLU H H 1 7.73 0.003 . 1 . . . A 61 GLU H . 11591 1 618 . 1 1 61 61 GLU N N 15 122.716 0.051 . 1 . . . A 61 GLU N . 11591 1 619 . 1 1 62 62 ALA CA C 13 55.452 0.084 . 1 . . . A 62 ALA CA . 11591 1 620 . 1 1 62 62 ALA CB C 13 18.195 0.115 . 1 . . . A 62 ALA CB . 11591 1 621 . 1 1 62 62 ALA C C 13 177.815 0.01 . 1 . . . A 62 ALA C . 11591 1 622 . 1 1 62 62 ALA HA H 1 3.936 0.01 . 1 . . . A 62 ALA HA . 11591 1 623 . 1 1 62 62 ALA H H 1 6.711 0.001 . 1 . . . A 62 ALA H . 11591 1 624 . 1 1 62 62 ALA N N 15 121.043 0.017 . 1 . . . A 62 ALA N . 11591 1 625 . 1 1 62 62 ALA HB1 H 1 1.329 0.013 . 1 . . . A 62 ALA HB1 . 11591 1 626 . 1 1 62 62 ALA HB2 H 1 1.329 0.013 . 1 . . . A 62 ALA HB2 . 11591 1 627 . 1 1 62 62 ALA HB3 H 1 1.329 0.013 . 1 . . . A 62 ALA HB3 . 11591 1 628 . 1 1 63 63 ALA CA C 13 50.74 0.089 . 1 . . . A 63 ALA CA . 11591 1 629 . 1 1 63 63 ALA CB C 13 16.07 0.111 . 1 . . . A 63 ALA CB . 11591 1 630 . 1 1 63 63 ALA C C 13 173.854 0.006 . 1 . . . A 63 ALA C . 11591 1 631 . 1 1 63 63 ALA HA H 1 4.333 0.01 . 1 . . . A 63 ALA HA . 11591 1 632 . 1 1 63 63 ALA H H 1 8.141 0.001 . 1 . . . A 63 ALA H . 11591 1 633 . 1 1 63 63 ALA N N 15 119.356 0.064 . 1 . . . A 63 ALA N . 11591 1 634 . 1 1 63 63 ALA HB1 H 1 0.914 0.009 . 1 . . . A 63 ALA HB1 . 11591 1 635 . 1 1 63 63 ALA HB2 H 1 0.914 0.009 . 1 . . . A 63 ALA HB2 . 11591 1 636 . 1 1 63 63 ALA HB3 H 1 0.914 0.009 . 1 . . . A 63 ALA HB3 . 11591 1 637 . 1 1 64 64 TYR CA C 13 54.955 0 . 1 . . . A 64 TYR CA . 11591 1 638 . 1 1 64 64 TYR CB C 13 40.225 0 . 1 . . . A 64 TYR CB . 11591 1 639 . 1 1 64 64 TYR C C 13 175.59 0 . 1 . . . A 64 TYR C . 11591 1 640 . 1 1 64 64 TYR HB2 H 1 2.69 0 . 1 . . . A 64 TYR HB2 . 11591 1 641 . 1 1 64 64 TYR H H 1 7.02 0 . 1 . . . A 64 TYR H . 11591 1 642 . 1 1 64 64 TYR N N 15 117.874 0.064 . 1 . . . A 64 TYR N . 11591 1 643 . 1 1 65 65 ALA CA C 13 50.088 0.073 . 1 . . . A 65 ALA CA . 11591 1 644 . 1 1 65 65 ALA CB C 13 20.945 0.082 . 1 . . . A 65 ALA CB . 11591 1 645 . 1 1 65 65 ALA C C 13 175.079 0 . 1 . . . A 65 ALA C . 11591 1 646 . 1 1 65 65 ALA HA H 1 4.501 0.007 . 1 . . . A 65 ALA HA . 11591 1 647 . 1 1 65 65 ALA HB1 H 1 1.37 0.015 . 1 . . . A 65 ALA HB1 . 11591 1 648 . 1 1 65 65 ALA HB2 H 1 1.37 0.015 . 1 . . . A 65 ALA HB2 . 11591 1 649 . 1 1 65 65 ALA HB3 H 1 1.37 0.015 . 1 . . . A 65 ALA HB3 . 11591 1 650 . 1 1 66 66 SER CA C 13 58.711 0.175 . 1 . . . A 66 SER CA . 11591 1 651 . 1 1 66 66 SER CB C 13 64.127 0.228 . 1 . . . A 66 SER CB . 11591 1 652 . 1 1 66 66 SER C C 13 175.808 0 . 1 . . . A 66 SER C . 11591 1 653 . 1 1 66 66 SER HA H 1 4.539 0.035 . 1 . . . A 66 SER HA . 11591 1 654 . 1 1 66 66 SER HB2 H 1 3.778 0.106 . 2 . . . A 66 SER HB2 . 11591 1 655 . 1 1 66 66 SER HB3 H 1 3.341 0.017 . 2 . . . A 66 SER HB3 . 11591 1 656 . 1 1 66 66 SER H H 1 8.451 0.002 . 1 . . . A 66 SER H . 11591 1 657 . 1 1 66 66 SER N N 15 119.198 0.068 . 1 . . . A 66 SER N . 11591 1 658 . 1 1 67 67 SER CA C 13 57.352 0.122 . 1 . . . A 67 SER CA . 11591 1 659 . 1 1 67 67 SER CB C 13 64.877 0.038 . 1 . . . A 67 SER CB . 11591 1 660 . 1 1 67 67 SER C C 13 173.377 0.016 . 1 . . . A 67 SER C . 11591 1 661 . 1 1 67 67 SER HA H 1 5.699 0.016 . 1 . . . A 67 SER HA . 11591 1 662 . 1 1 67 67 SER HB2 H 1 3.818 0 . 1 . . . A 67 SER HB2 . 11591 1 663 . 1 1 67 67 SER H H 1 7.618 0.001 . 1 . . . A 67 SER H . 11591 1 664 . 1 1 67 67 SER N N 15 115.7 0.09 . 1 . . . A 67 SER N . 11591 1 665 . 1 1 68 68 TYR CA C 13 57.11 0.156 . 1 . . . A 68 TYR CA . 11591 1 666 . 1 1 68 68 TYR CB C 13 39.758 0.033 . 1 . . . A 68 TYR CB . 11591 1 667 . 1 1 68 68 TYR C C 13 172.865 0 . 1 . . . A 68 TYR C . 11591 1 668 . 1 1 68 68 TYR HA H 1 5.84 0.015 . 1 . . . A 68 TYR HA . 11591 1 669 . 1 1 68 68 TYR HB2 H 1 3.139 0.013 . 1 . . . A 68 TYR HB2 . 11591 1 670 . 1 1 68 68 TYR H H 1 8.074 0.001 . 1 . . . A 68 TYR H . 11591 1 671 . 1 1 68 68 TYR N N 15 120.108 0.063 . 1 . . . A 68 TYR N . 11591 1 672 . 1 1 69 69 THR CA C 13 58.749 0.145 . 1 . . . A 69 THR CA . 11591 1 673 . 1 1 69 69 THR CB C 13 72.999 0.094 . 1 . . . A 69 THR CB . 11591 1 674 . 1 1 69 69 THR CG2 C 13 22.333 0.202 . 1 . . . A 69 THR CG2 . 11591 1 675 . 1 1 69 69 THR C C 13 175.195 0 . 1 . . . A 69 THR C . 11591 1 676 . 1 1 69 69 THR H H 1 9.367 0.005 . 1 . . . A 69 THR H . 11591 1 677 . 1 1 69 69 THR HA H 1 5.302 0.015 . 1 . . . A 69 THR HA . 11591 1 678 . 1 1 69 69 THR HB H 1 4.173 0.011 . 1 . . . A 69 THR HB . 11591 1 679 . 1 1 69 69 THR N N 15 107.357 0.008 . 1 . . . A 69 THR N . 11591 1 680 . 1 1 69 69 THR HG21 H 1 1.29 0.028 . 1 . . . A 69 THR HG21 . 11591 1 681 . 1 1 69 69 THR HG22 H 1 1.29 0.028 . 1 . . . A 69 THR HG22 . 11591 1 682 . 1 1 69 69 THR HG23 H 1 1.29 0.028 . 1 . . . A 69 THR HG23 . 11591 1 683 . 1 1 70 70 ILE CA C 13 59.062 0.144 . 1 . . . A 70 ILE CA . 11591 1 684 . 1 1 70 70 ILE CB C 13 38.384 0.205 . 1 . . . A 70 ILE CB . 11591 1 685 . 1 1 70 70 ILE CD1 C 13 12.738 0.11 . 1 . . . A 70 ILE CD1 . 11591 1 686 . 1 1 70 70 ILE CG1 C 13 27.612 0.126 . 1 . . . A 70 ILE CG1 . 11591 1 687 . 1 1 70 70 ILE CG2 C 13 17.368 0.167 . 1 . . . A 70 ILE CG2 . 11591 1 688 . 1 1 70 70 ILE C C 13 175.92 0.005 . 1 . . . A 70 ILE C . 11591 1 689 . 1 1 70 70 ILE HA H 1 5.247 0.019 . 1 . . . A 70 ILE HA . 11591 1 690 . 1 1 70 70 ILE HB H 1 1.691 0.013 . 1 . . . A 70 ILE HB . 11591 1 691 . 1 1 70 70 ILE HG12 H 1 1.857 0.013 . 2 . . . A 70 ILE HG12 . 11591 1 692 . 1 1 70 70 ILE HG13 H 1 1.572 0.006 . 2 . . . A 70 ILE HG13 . 11591 1 693 . 1 1 70 70 ILE H H 1 8.549 0.006 . 1 . . . A 70 ILE H . 11591 1 694 . 1 1 70 70 ILE N N 15 118.381 0.041 . 1 . . . A 70 ILE N . 11591 1 695 . 1 1 70 70 ILE HD11 H 1 0.878 0.012 . 4 . . . A 70 ILE HD11 . 11591 1 696 . 1 1 70 70 ILE HD12 H 1 0.878 0.012 . 4 . . . A 70 ILE HD12 . 11591 1 697 . 1 1 70 70 ILE HD13 H 1 0.878 0.012 . 4 . . . A 70 ILE HD13 . 11591 1 698 . 1 1 70 70 ILE HG21 H 1 0.708 0.012 . 4 . . . A 70 ILE HG21 . 11591 1 699 . 1 1 70 70 ILE HG22 H 1 0.708 0.012 . 4 . . . A 70 ILE HG22 . 11591 1 700 . 1 1 70 70 ILE HG23 H 1 0.708 0.012 . 4 . . . A 70 ILE HG23 . 11591 1 701 . 1 1 71 71 GLN CA C 13 52.667 0.06 . 1 . . . A 71 GLN CA . 11591 1 702 . 1 1 71 71 GLN CB C 13 34.444 0.045 . 1 . . . A 71 GLN CB . 11591 1 703 . 1 1 71 71 GLN C C 13 174.938 0.001 . 1 . . . A 71 GLN C . 11591 1 704 . 1 1 71 71 GLN HA H 1 5.612 0.015 . 1 . . . A 71 GLN HA . 11591 1 705 . 1 1 71 71 GLN HB2 H 1 1.902 0.015 . 2 . . . A 71 GLN HB2 . 11591 1 706 . 1 1 71 71 GLN HB3 H 1 1.548 0.038 . 2 . . . A 71 GLN HB3 . 11591 1 707 . 1 1 71 71 GLN HE21 H 1 6.745 0.006 . 2 . . . A 71 GLN HE21 . 11591 1 708 . 1 1 71 71 GLN HE22 H 1 6.45 0.007 . 2 . . . A 71 GLN HE22 . 11591 1 709 . 1 1 71 71 GLN H H 1 9.583 0.002 . 1 . . . A 71 GLN H . 11591 1 710 . 1 1 71 71 GLN N N 15 125.82 0.064 . 1 . . . A 71 GLN N . 11591 1 711 . 1 1 71 71 GLN NE2 N 15 111.188 0.094 . 1 . . . A 71 GLN NE2 . 11591 1 712 . 1 1 72 72 VAL CA C 13 58.193 0.194 . 1 . . . A 72 VAL CA . 11591 1 713 . 1 1 72 72 VAL CB C 13 35.393 0.104 . 1 . . . A 72 VAL CB . 11591 1 714 . 1 1 72 72 VAL CG1 C 13 21.133 0.086 . 2 . . . A 72 VAL CG1 . 11591 1 715 . 1 1 72 72 VAL CG2 C 13 18.21 0.039 . 2 . . . A 72 VAL CG2 . 11591 1 716 . 1 1 72 72 VAL C C 13 175.202 0.032 . 1 . . . A 72 VAL C . 11591 1 717 . 1 1 72 72 VAL HA H 1 5.842 0.01 . 1 . . . A 72 VAL HA . 11591 1 718 . 1 1 72 72 VAL HB H 1 2.311 0.013 . 1 . . . A 72 VAL HB . 11591 1 719 . 1 1 72 72 VAL H H 1 9.233 0.002 . 1 . . . A 72 VAL H . 11591 1 720 . 1 1 72 72 VAL N N 15 111.45 0.024 . 1 . . . A 72 VAL N . 11591 1 721 . 1 1 72 72 VAL HG11 H 1 0.82 0.012 . 2 . . . A 72 VAL HG11 . 11591 1 722 . 1 1 72 72 VAL HG12 H 1 0.82 0.012 . 2 . . . A 72 VAL HG12 . 11591 1 723 . 1 1 72 72 VAL HG13 H 1 0.82 0.012 . 2 . . . A 72 VAL HG13 . 11591 1 724 . 1 1 72 72 VAL HG21 H 1 0.733 0.009 . 2 . . . A 72 VAL HG21 . 11591 1 725 . 1 1 72 72 VAL HG22 H 1 0.733 0.009 . 2 . . . A 72 VAL HG22 . 11591 1 726 . 1 1 72 72 VAL HG23 H 1 0.733 0.009 . 2 . . . A 72 VAL HG23 . 11591 1 727 . 1 1 73 73 SER CA C 13 56.738 0 . 1 . . . A 73 SER CA . 11591 1 728 . 1 1 73 73 SER CB C 13 65.268 0.084 . 1 . . . A 73 SER CB . 11591 1 729 . 1 1 73 73 SER C C 13 175.089 0 . 1 . . . A 73 SER C . 11591 1 730 . 1 1 73 73 SER HB2 H 1 2.529 0.028 . 2 . . . A 73 SER HB2 . 11591 1 731 . 1 1 73 73 SER HB3 H 1 2.408 0.026 . 2 . . . A 73 SER HB3 . 11591 1 732 . 1 1 73 73 SER H H 1 8.487 0.002 . 1 . . . A 73 SER H . 11591 1 733 . 1 1 73 73 SER N N 15 113.642 0.031 . 1 . . . A 73 SER N . 11591 1 734 . 1 1 74 74 ASN CA C 13 51.973 0.146 . 1 . . . A 74 ASN CA . 11591 1 735 . 1 1 74 74 ASN CB C 13 39.943 0.035 . 1 . . . A 74 ASN CB . 11591 1 736 . 1 1 74 74 ASN C C 13 174.263 0 . 1 . . . A 74 ASN C . 11591 1 737 . 1 1 74 74 ASN H H 1 9.395 0 . 1 . . . A 74 ASN H . 11591 1 738 . 1 1 74 74 ASN HA H 1 5.148 0.011 . 1 . . . A 74 ASN HA . 11591 1 739 . 1 1 74 74 ASN HB2 H 1 2.74 0.011 . 2 . . . A 74 ASN HB2 . 11591 1 740 . 1 1 74 74 ASN HB3 H 1 2.323 0.013 . 2 . . . A 74 ASN HB3 . 11591 1 741 . 1 1 74 74 ASN HD21 H 1 7.404 0.004 . 2 . . . A 74 ASN HD21 . 11591 1 742 . 1 1 74 74 ASN HD22 H 1 6.62 0.009 . 2 . . . A 74 ASN HD22 . 11591 1 743 . 1 1 74 74 ASN N N 15 129.742 0 . 1 . . . A 74 ASN N . 11591 1 744 . 1 1 74 74 ASN ND2 N 15 111.257 0.058 . 1 . . . A 74 ASN ND2 . 11591 1 745 . 1 1 75 75 ASP CA C 13 55.49 0.093 . 1 . . . A 75 ASP CA . 11591 1 746 . 1 1 75 75 ASP CB C 13 41.297 0.071 . 1 . . . A 75 ASP CB . 11591 1 747 . 1 1 75 75 ASP C C 13 174.62 0.002 . 1 . . . A 75 ASP C . 11591 1 748 . 1 1 75 75 ASP HA H 1 4.176 0.008 . 1 . . . A 75 ASP HA . 11591 1 749 . 1 1 75 75 ASP HB2 H 1 2.44 0.013 . 2 . . . A 75 ASP HB2 . 11591 1 750 . 1 1 75 75 ASP HB3 H 1 1.829 0.016 . 2 . . . A 75 ASP HB3 . 11591 1 751 . 1 1 75 75 ASP H H 1 7.778 0.001 . 1 . . . A 75 ASP H . 11591 1 752 . 1 1 75 75 ASP N N 15 121.858 0.017 . 1 . . . A 75 ASP N . 11591 1 753 . 1 1 76 76 SER CA C 13 59.527 0.091 . 1 . . . A 76 SER CA . 11591 1 754 . 1 1 76 76 SER CB C 13 63.383 0.096 . 1 . . . A 76 SER CB . 11591 1 755 . 1 1 76 76 SER C C 13 176.492 0 . 1 . . . A 76 SER C . 11591 1 756 . 1 1 76 76 SER HA H 1 4.133 0.007 . 1 . . . A 76 SER HA . 11591 1 757 . 1 1 76 76 SER HB2 H 1 3.708 0.009 . 1 . . . A 76 SER HB2 . 11591 1 758 . 1 1 76 76 SER H H 1 8.194 0 . 1 . . . A 76 SER H . 11591 1 759 . 1 1 76 76 SER N N 15 113.122 0.044 . 1 . . . A 76 SER N . 11591 1 760 . 1 1 77 77 GLY CA C 13 43.592 0.081 . 1 . . . A 77 GLY CA . 11591 1 761 . 1 1 77 77 GLY C C 13 173.383 0 . 1 . . . A 77 GLY C . 11591 1 762 . 1 1 77 77 GLY HA2 H 1 4.154 0.003 . 2 . . . A 77 GLY HA2 . 11591 1 763 . 1 1 77 77 GLY HA3 H 1 3.5 0.01 . 2 . . . A 77 GLY HA3 . 11591 1 764 . 1 1 77 77 GLY N N 15 111.661 0.072 . 1 . . . A 77 GLY N . 11591 1 765 . 1 1 78 78 THR CA C 13 60.685 0.1 . 1 . . . A 78 THR CA . 11591 1 766 . 1 1 78 78 THR CB C 13 69.159 0.195 . 1 . . . A 78 THR CB . 11591 1 767 . 1 1 78 78 THR CG2 C 13 21.655 0.119 . 1 . . . A 78 THR CG2 . 11591 1 768 . 1 1 78 78 THR C C 13 172.858 0 . 1 . . . A 78 THR C . 11591 1 769 . 1 1 78 78 THR HA H 1 3.896 0.015 . 1 . . . A 78 THR HA . 11591 1 770 . 1 1 78 78 THR H H 1 8.203 0.001 . 1 . . . A 78 THR H . 11591 1 771 . 1 1 78 78 THR N N 15 121.326 0.052 . 1 . . . A 78 THR N . 11591 1 772 . 1 1 78 78 THR HG21 H 1 0.997 0.005 . 1 . . . A 78 THR HG21 . 11591 1 773 . 1 1 78 78 THR HG22 H 1 0.997 0.005 . 1 . . . A 78 THR HG22 . 11591 1 774 . 1 1 78 78 THR HG23 H 1 0.997 0.005 . 1 . . . A 78 THR HG23 . 11591 1 775 . 1 1 79 79 PRO CA C 13 62.643 0.023 . 1 . . . A 79 PRO CA . 11591 1 776 . 1 1 79 79 PRO CB C 13 31.065 0.126 . 1 . . . A 79 PRO CB . 11591 1 777 . 1 1 79 79 PRO CD C 13 49.945 0.066 . 1 . . . A 79 PRO CD . 11591 1 778 . 1 1 79 79 PRO CG C 13 27.817 0.003 . 1 . . . A 79 PRO CG . 11591 1 779 . 1 1 79 79 PRO C C 13 176.447 0 . 1 . . . A 79 PRO C . 11591 1 780 . 1 1 79 79 PRO HA H 1 3.764 0.014 . 1 . . . A 79 PRO HA . 11591 1 781 . 1 1 79 79 PRO HB2 H 1 0.047 0.009 . 2 . . . A 79 PRO HB2 . 11591 1 782 . 1 1 79 79 PRO HB3 H 1 0.283 0.017 . 2 . . . A 79 PRO HB3 . 11591 1 783 . 1 1 79 79 PRO HD2 H 1 3.223 0.011 . 2 . . . A 79 PRO HD2 . 11591 1 784 . 1 1 79 79 PRO HD3 H 1 2.461 0.01 . 2 . . . A 79 PRO HD3 . 11591 1 785 . 1 1 79 79 PRO HG2 H 1 -0.156 0.012 . 2 . . . A 79 PRO HG2 . 11591 1 786 . 1 1 80 80 THR CA C 13 61.953 0.084 . 1 . . . A 80 THR CA . 11591 1 787 . 1 1 80 80 THR CB C 13 70.75 0.07 . 1 . . . A 80 THR CB . 11591 1 788 . 1 1 80 80 THR CG2 C 13 20.912 0.062 . 1 . . . A 80 THR CG2 . 11591 1 789 . 1 1 80 80 THR C C 13 172.93 0.007 . 1 . . . A 80 THR C . 11591 1 790 . 1 1 80 80 THR HA H 1 3.96 0.008 . 1 . . . A 80 THR HA . 11591 1 791 . 1 1 80 80 THR HB H 1 3.798 0.005 . 1 . . . A 80 THR HB . 11591 1 792 . 1 1 80 80 THR N N 15 114.651 0.046 . 1 . . . A 80 THR N . 11591 1 793 . 1 1 80 80 THR HG21 H 1 0.812 0.008 . 1 . . . A 80 THR HG21 . 11591 1 794 . 1 1 80 80 THR HG22 H 1 0.812 0.008 . 1 . . . A 80 THR HG22 . 11591 1 795 . 1 1 80 80 THR HG23 H 1 0.812 0.008 . 1 . . . A 80 THR HG23 . 11591 1 796 . 1 1 81 81 ASN CA C 13 52.92 0.113 . 1 . . . A 81 ASN CA . 11591 1 797 . 1 1 81 81 ASN CB C 13 38.529 0.065 . 1 . . . A 81 ASN CB . 11591 1 798 . 1 1 81 81 ASN C C 13 173.512 0.013 . 1 . . . A 81 ASN C . 11591 1 799 . 1 1 81 81 ASN HA H 1 4.604 0.012 . 1 . . . A 81 ASN HA . 11591 1 800 . 1 1 81 81 ASN HB2 H 1 2.845 0.028 . 2 . . . A 81 ASN HB2 . 11591 1 801 . 1 1 81 81 ASN HB3 H 1 2.337 0.011 . 2 . . . A 81 ASN HB3 . 11591 1 802 . 1 1 81 81 ASN HD21 H 1 8.42 0.005 . 2 . . . A 81 ASN HD21 . 11591 1 803 . 1 1 81 81 ASN HD22 H 1 6.756 0.005 . 2 . . . A 81 ASN HD22 . 11591 1 804 . 1 1 81 81 ASN H H 1 8.899 0 . 1 . . . A 81 ASN H . 11591 1 805 . 1 1 81 81 ASN N N 15 124.222 0.057 . 1 . . . A 81 ASN N . 11591 1 806 . 1 1 81 81 ASN ND2 N 15 118.597 0.014 . 1 . . . A 81 ASN ND2 . 11591 1 807 . 1 1 82 82 TRP CA C 13 54.971 0.098 . 1 . . . A 82 TRP CA . 11591 1 808 . 1 1 82 82 TRP CB C 13 32.262 0.051 . 1 . . . A 82 TRP CB . 11591 1 809 . 1 1 82 82 TRP CD1 C 13 128.07 0.077 . 1 . . . A 82 TRP CD1 . 11591 1 810 . 1 1 82 82 TRP C C 13 176.48 0.001 . 1 . . . A 82 TRP C . 11591 1 811 . 1 1 82 82 TRP CZ2 C 13 114.216 0.04 . 1 . . . A 82 TRP CZ2 . 11591 1 812 . 1 1 82 82 TRP HA H 1 4.806 0.009 . 1 . . . A 82 TRP HA . 11591 1 813 . 1 1 82 82 TRP HB2 H 1 2.694 0.033 . 2 . . . A 82 TRP HB2 . 11591 1 814 . 1 1 82 82 TRP HB3 H 1 2.564 0.008 . 2 . . . A 82 TRP HB3 . 11591 1 815 . 1 1 82 82 TRP HD1 H 1 6.621 0.027 . 1 . . . A 82 TRP HD1 . 11591 1 816 . 1 1 82 82 TRP HE1 H 1 9.261 0.01 . 1 . . . A 82 TRP HE1 . 11591 1 817 . 1 1 82 82 TRP H H 1 8.418 0.001 . 1 . . . A 82 TRP H . 11591 1 818 . 1 1 82 82 TRP HZ2 H 1 6.075 0.01 . 1 . . . A 82 TRP HZ2 . 11591 1 819 . 1 1 82 82 TRP N N 15 125.083 0.045 . 1 . . . A 82 TRP N . 11591 1 820 . 1 1 82 82 TRP NE1 N 15 127.576 0 . 1 . . . A 82 TRP NE1 . 11591 1 821 . 1 1 83 83 THR CA C 13 61.573 0.082 . 1 . . . A 83 THR CA . 11591 1 822 . 1 1 83 83 THR CB C 13 70.639 0.097 . 1 . . . A 83 THR CB . 11591 1 823 . 1 1 83 83 THR CG2 C 13 20.964 0 . 1 . . . A 83 THR CG2 . 11591 1 824 . 1 1 83 83 THR C C 13 174.757 0.001 . 1 . . . A 83 THR C . 11591 1 825 . 1 1 83 83 THR HA H 1 4.48 0.014 . 1 . . . A 83 THR HA . 11591 1 826 . 1 1 83 83 THR HB H 1 3.815 0.017 . 1 . . . A 83 THR HB . 11591 1 827 . 1 1 83 83 THR H H 1 9.573 0.002 . 1 . . . A 83 THR H . 11591 1 828 . 1 1 83 83 THR N N 15 121.069 0.029 . 1 . . . A 83 THR N . 11591 1 829 . 1 1 83 83 THR HG21 H 1 0.976 0.015 . 1 . . . A 83 THR HG21 . 11591 1 830 . 1 1 83 83 THR HG22 H 1 0.976 0.015 . 1 . . . A 83 THR HG22 . 11591 1 831 . 1 1 83 83 THR HG23 H 1 0.976 0.015 . 1 . . . A 83 THR HG23 . 11591 1 832 . 1 1 84 84 THR CA C 13 64.66 0.141 . 1 . . . A 84 THR CA . 11591 1 833 . 1 1 84 84 THR CB C 13 68.832 0.112 . 1 . . . A 84 THR CB . 11591 1 834 . 1 1 84 84 THR CG2 C 13 22.857 0.151 . 1 . . . A 84 THR CG2 . 11591 1 835 . 1 1 84 84 THR C C 13 174.367 0.056 . 1 . . . A 84 THR C . 11591 1 836 . 1 1 84 84 THR HA H 1 4.297 0.013 . 1 . . . A 84 THR HA . 11591 1 837 . 1 1 84 84 THR HB H 1 4.01 0.019 . 1 . . . A 84 THR HB . 11591 1 838 . 1 1 84 84 THR H H 1 9.37 0.001 . 1 . . . A 84 THR H . 11591 1 839 . 1 1 84 84 THR N N 15 127.248 0.027 . 1 . . . A 84 THR N . 11591 1 840 . 1 1 84 84 THR HG21 H 1 1.137 0.016 . 1 . . . A 84 THR HG21 . 11591 1 841 . 1 1 84 84 THR HG22 H 1 1.137 0.016 . 1 . . . A 84 THR HG22 . 11591 1 842 . 1 1 84 84 THR HG23 H 1 1.137 0.016 . 1 . . . A 84 THR HG23 . 11591 1 843 . 1 1 85 85 VAL CA C 13 60.057 0.105 . 1 . . . A 85 VAL CA . 11591 1 844 . 1 1 85 85 VAL CB C 13 32.756 0.068 . 1 . . . A 85 VAL CB . 11591 1 845 . 1 1 85 85 VAL CG1 C 13 22.076 0.05 . 2 . . . A 85 VAL CG1 . 11591 1 846 . 1 1 85 85 VAL CG2 C 13 16.972 0.054 . 2 . . . A 85 VAL CG2 . 11591 1 847 . 1 1 85 85 VAL C C 13 174.667 0.008 . 1 . . . A 85 VAL C . 11591 1 848 . 1 1 85 85 VAL H H 1 8.888 0.007 . 1 . . . A 85 VAL H . 11591 1 849 . 1 1 85 85 VAL HA H 1 4.432 0.006 . 1 . . . A 85 VAL HA . 11591 1 850 . 1 1 85 85 VAL HB H 1 1.68 0.027 . 1 . . . A 85 VAL HB . 11591 1 851 . 1 1 85 85 VAL N N 15 119.647 0.027 . 1 . . . A 85 VAL N . 11591 1 852 . 1 1 85 85 VAL HG11 H 1 0.542 0.01 . 2 . . . A 85 VAL HG11 . 11591 1 853 . 1 1 85 85 VAL HG12 H 1 0.542 0.01 . 2 . . . A 85 VAL HG12 . 11591 1 854 . 1 1 85 85 VAL HG13 H 1 0.542 0.01 . 2 . . . A 85 VAL HG13 . 11591 1 855 . 1 1 85 85 VAL HG21 H 1 -0.353 0.013 . 2 . . . A 85 VAL HG21 . 11591 1 856 . 1 1 85 85 VAL HG22 H 1 -0.353 0.013 . 2 . . . A 85 VAL HG22 . 11591 1 857 . 1 1 85 85 VAL HG23 H 1 -0.353 0.013 . 2 . . . A 85 VAL HG23 . 11591 1 858 . 1 1 86 86 TYR CA C 13 58.59 0.1 . 1 . . . A 86 TYR CA . 11591 1 859 . 1 1 86 86 TYR CB C 13 41.875 0.094 . 1 . . . A 86 TYR CB . 11591 1 860 . 1 1 86 86 TYR C C 13 172.366 0.009 . 1 . . . A 86 TYR C . 11591 1 861 . 1 1 86 86 TYR HA H 1 4.559 0.007 . 1 . . . A 86 TYR HA . 11591 1 862 . 1 1 86 86 TYR HB2 H 1 3.085 0.024 . 2 . . . A 86 TYR HB2 . 11591 1 863 . 1 1 86 86 TYR HB3 H 1 2.275 0.019 . 2 . . . A 86 TYR HB3 . 11591 1 864 . 1 1 86 86 TYR HD1 H 1 6.969 0 . 1 . . . A 86 TYR HD1 . 11591 1 865 . 1 1 86 86 TYR H H 1 7.469 0.002 . 1 . . . A 86 TYR H . 11591 1 866 . 1 1 86 86 TYR N N 15 121.833 0.018 . 1 . . . A 86 TYR N . 11591 1 867 . 1 1 87 87 THR CA C 13 60.423 0.093 . 1 . . . A 87 THR CA . 11591 1 868 . 1 1 87 87 THR CB C 13 71.245 0.116 . 1 . . . A 87 THR CB . 11591 1 869 . 1 1 87 87 THR CG2 C 13 20.172 0.068 . 1 . . . A 87 THR CG2 . 11591 1 870 . 1 1 87 87 THR C C 13 171.293 0.007 . 1 . . . A 87 THR C . 11591 1 871 . 1 1 87 87 THR HA H 1 4.481 0.01 . 1 . . . A 87 THR HA . 11591 1 872 . 1 1 87 87 THR HB H 1 3.519 0.006 . 1 . . . A 87 THR HB . 11591 1 873 . 1 1 87 87 THR H H 1 7.306 0.001 . 1 . . . A 87 THR H . 11591 1 874 . 1 1 87 87 THR N N 15 123.02 0.036 . 1 . . . A 87 THR N . 11591 1 875 . 1 1 87 87 THR HG21 H 1 0.912 0.016 . 1 . . . A 87 THR HG21 . 11591 1 876 . 1 1 87 87 THR HG22 H 1 0.912 0.016 . 1 . . . A 87 THR HG22 . 11591 1 877 . 1 1 87 87 THR HG23 H 1 0.912 0.016 . 1 . . . A 87 THR HG23 . 11591 1 878 . 1 1 88 88 THR CA C 13 59.947 0.156 . 1 . . . A 88 THR CA . 11591 1 879 . 1 1 88 88 THR CB C 13 69.789 0.169 . 1 . . . A 88 THR CB . 11591 1 880 . 1 1 88 88 THR CG2 C 13 19.06 0.136 . 1 . . . A 88 THR CG2 . 11591 1 881 . 1 1 88 88 THR C C 13 173.175 0 . 1 . . . A 88 THR C . 11591 1 882 . 1 1 88 88 THR HA H 1 4.519 0.013 . 1 . . . A 88 THR HA . 11591 1 883 . 1 1 88 88 THR HB H 1 3.785 0.015 . 1 . . . A 88 THR HB . 11591 1 884 . 1 1 88 88 THR H H 1 8.001 0.002 . 1 . . . A 88 THR H . 11591 1 885 . 1 1 88 88 THR N N 15 117.844 0.042 . 1 . . . A 88 THR N . 11591 1 886 . 1 1 88 88 THR HG21 H 1 0.472 0.099 . 1 . . . A 88 THR HG21 . 11591 1 887 . 1 1 88 88 THR HG22 H 1 0.472 0.099 . 1 . . . A 88 THR HG22 . 11591 1 888 . 1 1 88 88 THR HG23 H 1 0.472 0.099 . 1 . . . A 88 THR HG23 . 11591 1 889 . 1 1 89 89 THR CA C 13 61.745 0.131 . 1 . . . A 89 THR CA . 11591 1 890 . 1 1 89 89 THR CB C 13 69.234 0.177 . 1 . . . A 89 THR CB . 11591 1 891 . 1 1 89 89 THR CG2 C 13 20.868 0.03 . 1 . . . A 89 THR CG2 . 11591 1 892 . 1 1 89 89 THR C C 13 176.356 0.006 . 1 . . . A 89 THR C . 11591 1 893 . 1 1 89 89 THR HA H 1 5.212 0.01 . 1 . . . A 89 THR HA . 11591 1 894 . 1 1 89 89 THR HB H 1 4.345 0.008 . 1 . . . A 89 THR HB . 11591 1 895 . 1 1 89 89 THR H H 1 8.39 0.002 . 1 . . . A 89 THR H . 11591 1 896 . 1 1 89 89 THR N N 15 116.76 0.057 . 1 . . . A 89 THR N . 11591 1 897 . 1 1 89 89 THR HG21 H 1 1.01 0.015 . 1 . . . A 89 THR HG21 . 11591 1 898 . 1 1 89 89 THR HG22 H 1 1.01 0.015 . 1 . . . A 89 THR HG22 . 11591 1 899 . 1 1 89 89 THR HG23 H 1 1.01 0.015 . 1 . . . A 89 THR HG23 . 11591 1 900 . 1 1 90 90 THR CA C 13 59.676 0.102 . 1 . . . A 90 THR CA . 11591 1 901 . 1 1 90 90 THR CB C 13 68.045 0.03 . 1 . . . A 90 THR CB . 11591 1 902 . 1 1 90 90 THR CG2 C 13 19.692 0.044 . 1 . . . A 90 THR CG2 . 11591 1 903 . 1 1 90 90 THR C C 13 175.173 0.007 . 1 . . . A 90 THR C . 11591 1 904 . 1 1 90 90 THR HA H 1 4.511 0.018 . 1 . . . A 90 THR HA . 11591 1 905 . 1 1 90 90 THR HB H 1 4.515 0.012 . 1 . . . A 90 THR HB . 11591 1 906 . 1 1 90 90 THR H H 1 8.78 0.002 . 1 . . . A 90 THR H . 11591 1 907 . 1 1 90 90 THR N N 15 116.127 0.027 . 1 . . . A 90 THR N . 11591 1 908 . 1 1 90 90 THR HG21 H 1 0.973 0.005 . 1 . . . A 90 THR HG21 . 11591 1 909 . 1 1 90 90 THR HG22 H 1 0.973 0.005 . 1 . . . A 90 THR HG22 . 11591 1 910 . 1 1 90 90 THR HG23 H 1 0.973 0.005 . 1 . . . A 90 THR HG23 . 11591 1 911 . 1 1 91 91 GLY CA C 13 46.65 0.038 . 1 . . . A 91 GLY CA . 11591 1 912 . 1 1 91 91 GLY C C 13 173.549 0.001 . 1 . . . A 91 GLY C . 11591 1 913 . 1 1 91 91 GLY H H 1 9.469 0.009 . 1 . . . A 91 GLY H . 11591 1 914 . 1 1 91 91 GLY HA2 H 1 4.088 0.079 . 2 . . . A 91 GLY HA2 . 11591 1 915 . 1 1 91 91 GLY HA3 H 1 3.849 0.011 . 2 . . . A 91 GLY HA3 . 11591 1 916 . 1 1 91 91 GLY N N 15 114.229 0.019 . 1 . . . A 91 GLY N . 11591 1 917 . 1 1 92 92 ASP CA C 13 51.594 0.01 . 1 . . . A 92 ASP CA . 11591 1 918 . 1 1 92 92 ASP CB C 13 41.577 0 . 1 . . . A 92 ASP CB . 11591 1 919 . 1 1 92 92 ASP C C 13 176.955 0.022 . 1 . . . A 92 ASP C . 11591 1 920 . 1 1 92 92 ASP H H 1 8.385 0.014 . 1 . . . A 92 ASP H . 11591 1 921 . 1 1 92 92 ASP N N 15 122.884 0.051 . 1 . . . A 92 ASP N . 11591 1 922 . 1 1 93 93 GLY CA C 13 44.205 0.126 . 1 . . . A 93 GLY CA . 11591 1 923 . 1 1 93 93 GLY H H 1 8.777 0.006 . 1 . . . A 93 GLY H . 11591 1 924 . 1 1 93 93 GLY N N 15 112.363 0.072 . 1 . . . A 93 GLY N . 11591 1 925 . 1 1 94 94 GLY CA C 13 46.267 0.031 . 1 . . . A 94 GLY CA . 11591 1 926 . 1 1 94 94 GLY C C 13 173.068 0 . 1 . . . A 94 GLY C . 11591 1 927 . 1 1 94 94 GLY H H 1 9.085 0.011 . 1 . . . A 94 GLY H . 11591 1 928 . 1 1 94 94 GLY N N 15 112.007 0 . 1 . . . A 94 GLY N . 11591 1 929 . 1 1 94 94 GLY HA2 H 1 3.8 0.005 . 1 . . . A 94 GLY HA2 . 11591 1 930 . 1 1 94 94 GLY HA3 H 1 3.8 0.005 . 1 . . . A 94 GLY HA3 . 11591 1 931 . 1 1 95 95 ILE CA C 13 59.473 0.097 . 1 . . . A 95 ILE CA . 11591 1 932 . 1 1 95 95 ILE CB C 13 37.69 0.003 . 1 . . . A 95 ILE CB . 11591 1 933 . 1 1 95 95 ILE CD1 C 13 11.265 0 . 1 . . . A 95 ILE CD1 . 11591 1 934 . 1 1 95 95 ILE CG1 C 13 27.407 0 . 4 . . . A 95 ILE CG1 . 11591 1 935 . 1 1 95 95 ILE CG2 C 13 17.879 0.003 . 4 . . . A 95 ILE CG2 . 11591 1 936 . 1 1 95 95 ILE C C 13 178.404 0.002 . 1 . . . A 95 ILE C . 11591 1 937 . 1 1 95 95 ILE HA H 1 5.095 0.017 . 1 . . . A 95 ILE HA . 11591 1 938 . 1 1 95 95 ILE HB H 1 1.845 0.012 . 1 . . . A 95 ILE HB . 11591 1 939 . 1 1 95 95 ILE H H 1 8.187 0.003 . 1 . . . A 95 ILE H . 11591 1 940 . 1 1 95 95 ILE N N 15 123.384 0.04 . 1 . . . A 95 ILE N . 11591 1 941 . 1 1 95 95 ILE HD11 H 1 0.715 0.021 . 1 . . . A 95 ILE HD11 . 11591 1 942 . 1 1 95 95 ILE HD12 H 1 0.715 0.021 . 1 . . . A 95 ILE HD12 . 11591 1 943 . 1 1 95 95 ILE HD13 H 1 0.715 0.021 . 1 . . . A 95 ILE HD13 . 11591 1 944 . 1 1 95 95 ILE HG12 H 1 1.522 0.015 . 1 . . . A 95 ILE HG12 . 11591 1 945 . 1 1 95 95 ILE HG13 H 1 1.522 0.015 . 1 . . . A 95 ILE HG13 . 11591 1 946 . 1 1 95 95 ILE HG21 H 1 0.741 0.019 . 1 . . . A 95 ILE HG21 . 11591 1 947 . 1 1 95 95 ILE HG22 H 1 0.741 0.019 . 1 . . . A 95 ILE HG22 . 11591 1 948 . 1 1 95 95 ILE HG23 H 1 0.741 0.019 . 1 . . . A 95 ILE HG23 . 11591 1 949 . 1 1 96 96 ASP CA C 13 53.388 0.05 . 1 . . . A 96 ASP CA . 11591 1 950 . 1 1 96 96 ASP CB C 13 42.319 0.112 . 1 . . . A 96 ASP CB . 11591 1 951 . 1 1 96 96 ASP C C 13 172.932 0.128 . 1 . . . A 96 ASP C . 11591 1 952 . 1 1 96 96 ASP HA H 1 5.042 0.019 . 1 . . . A 96 ASP HA . 11591 1 953 . 1 1 96 96 ASP HB2 H 1 2.89 0.041 . 1 . . . A 96 ASP HB2 . 11591 1 954 . 1 1 96 96 ASP HB3 H 1 2.753 0.069 . 1 . . . A 96 ASP HB3 . 11591 1 955 . 1 1 96 96 ASP H H 1 9.348 0 . 1 . . . A 96 ASP H . 11591 1 956 . 1 1 96 96 ASP N N 15 132.185 0.043 . 1 . . . A 96 ASP N . 11591 1 957 . 1 1 97 97 ASP CA C 13 53.252 0.088 . 1 . . . A 97 ASP CA . 11591 1 958 . 1 1 97 97 ASP CB C 13 41.628 0.11 . 1 . . . A 97 ASP CB . 11591 1 959 . 1 1 97 97 ASP C C 13 174.747 0.077 . 1 . . . A 97 ASP C . 11591 1 960 . 1 1 97 97 ASP HA H 1 5.018 0.02 . 1 . . . A 97 ASP HA . 11591 1 961 . 1 1 97 97 ASP HB2 H 1 2.926 0.009 . 1 . . . A 97 ASP HB2 . 11591 1 962 . 1 1 97 97 ASP HB3 H 1 2.029 0.013 . 1 . . . A 97 ASP HB3 . 11591 1 963 . 1 1 97 97 ASP H H 1 8.719 0.018 . 1 . . . A 97 ASP H . 11591 1 964 . 1 1 97 97 ASP N N 15 126.099 0.132 . 1 . . . A 97 ASP N . 11591 1 965 . 1 1 98 98 ILE CA C 13 59.974 0.104 . 1 . . . A 98 ILE CA . 11591 1 966 . 1 1 98 98 ILE CB C 13 40.264 0.112 . 1 . . . A 98 ILE CB . 11591 1 967 . 1 1 98 98 ILE CD1 C 13 13.463 0.128 . 1 . . . A 98 ILE CD1 . 11591 1 968 . 1 1 98 98 ILE CG1 C 13 26.643 0.102 . 1 . . . A 98 ILE CG1 . 11591 1 969 . 1 1 98 98 ILE CG2 C 13 18.278 0.056 . 1 . . . A 98 ILE CG2 . 11591 1 970 . 1 1 98 98 ILE C C 13 174.579 0.015 . 1 . . . A 98 ILE C . 11591 1 971 . 1 1 98 98 ILE HA H 1 4.118 0.005 . 1 . . . A 98 ILE HA . 11591 1 972 . 1 1 98 98 ILE HB H 1 1.796 0.014 . 1 . . . A 98 ILE HB . 11591 1 973 . 1 1 98 98 ILE HG12 H 1 0.905 0.01 . 1 . . . A 98 ILE HG12 . 11591 1 974 . 1 1 98 98 ILE H H 1 9.102 0.002 . 1 . . . A 98 ILE H . 11591 1 975 . 1 1 98 98 ILE N N 15 128.341 0.024 . 1 . . . A 98 ILE N . 11591 1 976 . 1 1 98 98 ILE HD11 H 1 0.597 0.026 . 1 . . . A 98 ILE HD11 . 11591 1 977 . 1 1 98 98 ILE HD12 H 1 0.597 0.026 . 1 . . . A 98 ILE HD12 . 11591 1 978 . 1 1 98 98 ILE HD13 H 1 0.597 0.026 . 1 . . . A 98 ILE HD13 . 11591 1 979 . 1 1 98 98 ILE HG21 H 1 0.298 0.008 . 1 . . . A 98 ILE HG21 . 11591 1 980 . 1 1 98 98 ILE HG22 H 1 0.298 0.008 . 1 . . . A 98 ILE HG22 . 11591 1 981 . 1 1 98 98 ILE HG23 H 1 0.298 0.008 . 1 . . . A 98 ILE HG23 . 11591 1 982 . 1 1 99 99 THR CA C 13 60.227 0.088 . 1 . . . A 99 THR CA . 11591 1 983 . 1 1 99 99 THR CB C 13 70.791 0.105 . 1 . . . A 99 THR CB . 11591 1 984 . 1 1 99 99 THR CG2 C 13 21.314 0.094 . 1 . . . A 99 THR CG2 . 11591 1 985 . 1 1 99 99 THR C C 13 173.509 0.006 . 1 . . . A 99 THR C . 11591 1 986 . 1 1 99 99 THR HA H 1 4.906 0.007 . 1 . . . A 99 THR HA . 11591 1 987 . 1 1 99 99 THR HB H 1 3.937 0.003 . 1 . . . A 99 THR HB . 11591 1 988 . 1 1 99 99 THR H H 1 8.023 0 . 1 . . . A 99 THR H . 11591 1 989 . 1 1 99 99 THR N N 15 119.292 0.076 . 1 . . . A 99 THR N . 11591 1 990 . 1 1 99 99 THR HG21 H 1 0.98 0.017 . 1 . . . A 99 THR HG21 . 11591 1 991 . 1 1 99 99 THR HG22 H 1 0.98 0.017 . 1 . . . A 99 THR HG22 . 11591 1 992 . 1 1 99 99 THR HG23 H 1 0.98 0.017 . 1 . . . A 99 THR HG23 . 11591 1 993 . 1 1 100 100 PHE CA C 13 54.747 0.091 . 1 . . . A 100 PHE CA . 11591 1 994 . 1 1 100 100 PHE CB C 13 40.57 0.081 . 1 . . . A 100 PHE CB . 11591 1 995 . 1 1 100 100 PHE C C 13 174.61 0.005 . 1 . . . A 100 PHE C . 11591 1 996 . 1 1 100 100 PHE HA H 1 4.983 0.01 . 1 . . . A 100 PHE HA . 11591 1 997 . 1 1 100 100 PHE HB2 H 1 3.264 0.014 . 2 . . . A 100 PHE HB2 . 11591 1 998 . 1 1 100 100 PHE HB3 H 1 3.015 0.031 . 2 . . . A 100 PHE HB3 . 11591 1 999 . 1 1 100 100 PHE H H 1 7.903 0.001 . 1 . . . A 100 PHE H . 11591 1 1000 . 1 1 100 100 PHE N N 15 121.124 0.033 . 1 . . . A 100 PHE N . 11591 1 1001 . 1 1 101 101 THR CA C 13 64.474 0.104 . 1 . . . A 101 THR CA . 11591 1 1002 . 1 1 101 101 THR CB C 13 68.935 0.085 . 1 . . . A 101 THR CB . 11591 1 1003 . 1 1 101 101 THR CG2 C 13 22.647 0.057 . 1 . . . A 101 THR CG2 . 11591 1 1004 . 1 1 101 101 THR C C 13 174.578 0.013 . 1 . . . A 101 THR C . 11591 1 1005 . 1 1 101 101 THR HA H 1 3.891 0.02 . 1 . . . A 101 THR HA . 11591 1 1006 . 1 1 101 101 THR HB H 1 4.067 0.02 . 1 . . . A 101 THR HB . 11591 1 1007 . 1 1 101 101 THR H H 1 8.441 0.001 . 1 . . . A 101 THR H . 11591 1 1008 . 1 1 101 101 THR N N 15 115.768 0.042 . 1 . . . A 101 THR N . 11591 1 1009 . 1 1 101 101 THR HG21 H 1 1.306 0.009 . 1 . . . A 101 THR HG21 . 11591 1 1010 . 1 1 101 101 THR HG22 H 1 1.306 0.009 . 1 . . . A 101 THR HG22 . 11591 1 1011 . 1 1 101 101 THR HG23 H 1 1.306 0.009 . 1 . . . A 101 THR HG23 . 11591 1 1012 . 1 1 102 102 ALA CA C 13 52.97 0.188 . 1 . . . A 102 ALA CA . 11591 1 1013 . 1 1 102 102 ALA CB C 13 19.079 0.119 . 1 . . . A 102 ALA CB . 11591 1 1014 . 1 1 102 102 ALA C C 13 177.926 0.006 . 1 . . . A 102 ALA C . 11591 1 1015 . 1 1 102 102 ALA HA H 1 4.539 0.019 . 1 . . . A 102 ALA HA . 11591 1 1016 . 1 1 102 102 ALA H H 1 8.337 0 . 1 . . . A 102 ALA H . 11591 1 1017 . 1 1 102 102 ALA N N 15 127.861 0.045 . 1 . . . A 102 ALA N . 11591 1 1018 . 1 1 102 102 ALA HB1 H 1 1.243 0.007 . 1 . . . A 102 ALA HB1 . 11591 1 1019 . 1 1 102 102 ALA HB2 H 1 1.243 0.007 . 1 . . . A 102 ALA HB2 . 11591 1 1020 . 1 1 102 102 ALA HB3 H 1 1.243 0.007 . 1 . . . A 102 ALA HB3 . 11591 1 1021 . 1 1 103 103 ARG CA C 13 53.41 0.061 . 1 . . . A 103 ARG CA . 11591 1 1022 . 1 1 103 103 ARG CB C 13 34.341 0.07 . 1 . . . A 103 ARG CB . 11591 1 1023 . 1 1 103 103 ARG C C 13 174.675 0.016 . 1 . . . A 103 ARG C . 11591 1 1024 . 1 1 103 103 ARG HA H 1 4.709 0.028 . 1 . . . A 103 ARG HA . 11591 1 1025 . 1 1 103 103 ARG HB2 H 1 1.917 0.01 . 2 . . . A 103 ARG HB2 . 11591 1 1026 . 1 1 103 103 ARG HB3 H 1 1.667 0.019 . 2 . . . A 103 ARG HB3 . 11591 1 1027 . 1 1 103 103 ARG H H 1 8.745 0.001 . 1 . . . A 103 ARG H . 11591 1 1028 . 1 1 103 103 ARG N N 15 119.005 0.017 . 1 . . . A 103 ARG N . 11591 1 1029 . 1 1 104 104 THR CA C 13 62.153 0.099 . 1 . . . A 104 THR CA . 11591 1 1030 . 1 1 104 104 THR CB C 13 69.089 0.083 . 1 . . . A 104 THR CB . 11591 1 1031 . 1 1 104 104 THR CG2 C 13 21.227 0 . 1 . . . A 104 THR CG2 . 11591 1 1032 . 1 1 104 104 THR C C 13 173.874 0.005 . 1 . . . A 104 THR C . 11591 1 1033 . 1 1 104 104 THR HA H 1 4.565 0.014 . 1 . . . A 104 THR HA . 11591 1 1034 . 1 1 104 104 THR HB H 1 3.765 0.009 . 1 . . . A 104 THR HB . 11591 1 1035 . 1 1 104 104 THR H H 1 8.279 0.001 . 1 . . . A 104 THR H . 11591 1 1036 . 1 1 104 104 THR N N 15 116.538 0.04 . 1 . . . A 104 THR N . 11591 1 1037 . 1 1 104 104 THR HG21 H 1 0.938 0.022 . 1 . . . A 104 THR HG21 . 11591 1 1038 . 1 1 104 104 THR HG22 H 1 0.938 0.022 . 1 . . . A 104 THR HG22 . 11591 1 1039 . 1 1 104 104 THR HG23 H 1 0.938 0.022 . 1 . . . A 104 THR HG23 . 11591 1 1040 . 1 1 105 105 ALA CA C 13 52.084 0.089 . 1 . . . A 105 ALA CA . 11591 1 1041 . 1 1 105 105 ALA CB C 13 23.219 0.107 . 1 . . . A 105 ALA CB . 11591 1 1042 . 1 1 105 105 ALA C C 13 174.269 0.001 . 1 . . . A 105 ALA C . 11591 1 1043 . 1 1 105 105 ALA HA H 1 4.297 0.012 . 1 . . . A 105 ALA HA . 11591 1 1044 . 1 1 105 105 ALA H H 1 9.399 0.001 . 1 . . . A 105 ALA H . 11591 1 1045 . 1 1 105 105 ALA N N 15 128.042 0.036 . 1 . . . A 105 ALA N . 11591 1 1046 . 1 1 105 105 ALA HB1 H 1 1.221 0.009 . 1 . . . A 105 ALA HB1 . 11591 1 1047 . 1 1 105 105 ALA HB2 H 1 1.221 0.009 . 1 . . . A 105 ALA HB2 . 11591 1 1048 . 1 1 105 105 ALA HB3 H 1 1.221 0.009 . 1 . . . A 105 ALA HB3 . 11591 1 1049 . 1 1 106 106 LYS CA C 13 56.139 0.084 . 1 . . . A 106 LYS CA . 11591 1 1050 . 1 1 106 106 LYS CB C 13 35.637 0.052 . 1 . . . A 106 LYS CB . 11591 1 1051 . 1 1 106 106 LYS C C 13 173.191 0.013 . 1 . . . A 106 LYS C . 11591 1 1052 . 1 1 106 106 LYS HA H 1 4.54 0.019 . 1 . . . A 106 LYS HA . 11591 1 1053 . 1 1 106 106 LYS HB2 H 1 1.352 0.041 . 1 . . . A 106 LYS HB2 . 11591 1 1054 . 1 1 106 106 LYS H H 1 8.236 0.003 . 1 . . . A 106 LYS H . 11591 1 1055 . 1 1 106 106 LYS N N 15 120.268 0.035 . 1 . . . A 106 LYS N . 11591 1 1056 . 1 1 107 107 TYR CA C 13 54.605 0.058 . 1 . . . A 107 TYR CA . 11591 1 1057 . 1 1 107 107 TYR CB C 13 42.903 0.043 . 1 . . . A 107 TYR CB . 11591 1 1058 . 1 1 107 107 TYR C C 13 176.458 0 . 1 . . . A 107 TYR C . 11591 1 1059 . 1 1 107 107 TYR HA H 1 5.949 0.023 . 1 . . . A 107 TYR HA . 11591 1 1060 . 1 1 107 107 TYR HB2 H 1 2.706 0.015 . 2 . . . A 107 TYR HB2 . 11591 1 1061 . 1 1 107 107 TYR HB3 H 1 2.367 0.015 . 2 . . . A 107 TYR HB3 . 11591 1 1062 . 1 1 107 107 TYR H H 1 8.135 0.001 . 1 . . . A 107 TYR H . 11591 1 1063 . 1 1 107 107 TYR N N 15 113.442 0.074 . 1 . . . A 107 TYR N . 11591 1 1064 . 1 1 108 108 VAL CA C 13 61.185 0.093 . 1 . . . A 108 VAL CA . 11591 1 1065 . 1 1 108 108 VAL CB C 13 34.086 0.074 . 1 . . . A 108 VAL CB . 11591 1 1066 . 1 1 108 108 VAL C C 13 173.558 0.012 . 1 . . . A 108 VAL C . 11591 1 1067 . 1 1 108 108 VAL HA H 1 5.155 0.019 . 1 . . . A 108 VAL HA . 11591 1 1068 . 1 1 108 108 VAL HB H 1 1.967 0.009 . 1 . . . A 108 VAL HB . 11591 1 1069 . 1 1 108 108 VAL H H 1 8.07 0.002 . 1 . . . A 108 VAL H . 11591 1 1070 . 1 1 108 108 VAL N N 15 119.703 0.035 . 1 . . . A 108 VAL N . 11591 1 1071 . 1 1 109 109 ARG CA C 13 54.265 0.099 . 1 . . . A 109 ARG CA . 11591 1 1072 . 1 1 109 109 ARG CB C 13 38.293 0.082 . 1 . . . A 109 ARG CB . 11591 1 1073 . 1 1 109 109 ARG C C 13 174.925 0.001 . 1 . . . A 109 ARG C . 11591 1 1074 . 1 1 109 109 ARG HA H 1 5.602 0.01 . 1 . . . A 109 ARG HA . 11591 1 1075 . 1 1 109 109 ARG HB2 H 1 1.09 0.015 . 2 . . . A 109 ARG HB2 . 11591 1 1076 . 1 1 109 109 ARG HB3 H 1 0.869 0.05 . 2 . . . A 109 ARG HB3 . 11591 1 1077 . 1 1 109 109 ARG H H 1 9.842 0.001 . 1 . . . A 109 ARG H . 11591 1 1078 . 1 1 109 109 ARG N N 15 128.122 0.021 . 1 . . . A 109 ARG N . 11591 1 1079 . 1 1 110 110 VAL CA C 13 61.472 0.07 . 1 . . . A 110 VAL CA . 11591 1 1080 . 1 1 110 110 VAL CB C 13 33.138 0.1 . 1 . . . A 110 VAL CB . 11591 1 1081 . 1 1 110 110 VAL CG1 C 13 20.109 0.009 . 1 . . . A 110 VAL CG1 . 11591 1 1082 . 1 1 110 110 VAL CG2 C 13 23.234 0.028 . 1 . . . A 110 VAL CG2 . 11591 1 1083 . 1 1 110 110 VAL C C 13 173.649 0.001 . 1 . . . A 110 VAL C . 11591 1 1084 . 1 1 110 110 VAL HA H 1 4.812 0.021 . 1 . . . A 110 VAL HA . 11591 1 1085 . 1 1 110 110 VAL HB H 1 1.612 0.012 . 1 . . . A 110 VAL HB . 11591 1 1086 . 1 1 110 110 VAL H H 1 8.842 0.003 . 1 . . . A 110 VAL H . 11591 1 1087 . 1 1 110 110 VAL N N 15 125.108 0.04 . 1 . . . A 110 VAL N . 11591 1 1088 . 1 1 110 110 VAL HG11 H 1 0.684 0.007 . 2 . . . A 110 VAL HG11 . 11591 1 1089 . 1 1 110 110 VAL HG12 H 1 0.684 0.007 . 2 . . . A 110 VAL HG12 . 11591 1 1090 . 1 1 110 110 VAL HG13 H 1 0.684 0.007 . 2 . . . A 110 VAL HG13 . 11591 1 1091 . 1 1 110 110 VAL HG21 H 1 0.297 0.014 . 2 . . . A 110 VAL HG21 . 11591 1 1092 . 1 1 110 110 VAL HG22 H 1 0.297 0.014 . 2 . . . A 110 VAL HG22 . 11591 1 1093 . 1 1 110 110 VAL HG23 H 1 0.297 0.014 . 2 . . . A 110 VAL HG23 . 11591 1 1094 . 1 1 111 111 HIS CA C 13 55.985 0.084 . 1 . . . A 111 HIS CA . 11591 1 1095 . 1 1 111 111 HIS C C 13 173.563 0.011 . 1 . . . A 111 HIS C . 11591 1 1096 . 1 1 111 111 HIS HA H 1 4.859 0.011 . 1 . . . A 111 HIS HA . 11591 1 1097 . 1 1 111 111 HIS HB2 H 1 1.66 0.004 . 1 . . . A 111 HIS HB2 . 11591 1 1098 . 1 1 111 111 HIS H H 1 8.992 0.002 . 1 . . . A 111 HIS H . 11591 1 1099 . 1 1 111 111 HIS N N 15 130.747 0.042 . 1 . . . A 111 HIS N . 11591 1 1100 . 1 1 112 112 GLY CA C 13 44.66 0.086 . 1 . . . A 112 GLY CA . 11591 1 1101 . 1 1 112 112 GLY C C 13 171.172 0 . 1 . . . A 112 GLY C . 11591 1 1102 . 1 1 112 112 GLY HA2 H 1 4.87 0.011 . 2 . . . A 112 GLY HA2 . 11591 1 1103 . 1 1 112 112 GLY HA3 H 1 3.356 0.018 . 2 . . . A 112 GLY HA3 . 11591 1 1104 . 1 1 112 112 GLY H H 1 9.208 0 . 1 . . . A 112 GLY H . 11591 1 1105 . 1 1 112 112 GLY N N 15 113.865 0.015 . 1 . . . A 112 GLY N . 11591 1 1106 . 1 1 113 113 THR CA C 13 61.597 0.112 . 1 . . . A 113 THR CA . 11591 1 1107 . 1 1 113 113 THR CB C 13 70.428 0.066 . 1 . . . A 113 THR CB . 11591 1 1108 . 1 1 113 113 THR CG2 C 13 22.769 0 . 1 . . . A 113 THR CG2 . 11591 1 1109 . 1 1 113 113 THR C C 13 175.039 0.025 . 1 . . . A 113 THR C . 11591 1 1110 . 1 1 113 113 THR HA H 1 4.463 0.009 . 1 . . . A 113 THR HA . 11591 1 1111 . 1 1 113 113 THR HB H 1 4.179 0.01 . 1 . . . A 113 THR HB . 11591 1 1112 . 1 1 113 113 THR H H 1 8.075 0.003 . 1 . . . A 113 THR H . 11591 1 1113 . 1 1 113 113 THR N N 15 108.769 0.043 . 1 . . . A 113 THR N . 11591 1 1114 . 1 1 114 114 VAL CA C 13 61.492 0.08 . 1 . . . A 114 VAL CA . 11591 1 1115 . 1 1 114 114 VAL CB C 13 35.135 0.061 . 1 . . . A 114 VAL CB . 11591 1 1116 . 1 1 114 114 VAL CG1 C 13 20.989 0 . 1 . . . A 114 VAL CG1 . 11591 1 1117 . 1 1 114 114 VAL C C 13 176.264 0.004 . 1 . . . A 114 VAL C . 11591 1 1118 . 1 1 114 114 VAL HA H 1 4.36 0.009 . 1 . . . A 114 VAL HA . 11591 1 1119 . 1 1 114 114 VAL HB H 1 1.594 0.009 . 1 . . . A 114 VAL HB . 11591 1 1120 . 1 1 114 114 VAL H H 1 7.372 0.001 . 1 . . . A 114 VAL H . 11591 1 1121 . 1 1 114 114 VAL N N 15 119.373 0.041 . 1 . . . A 114 VAL N . 11591 1 1122 . 1 1 114 114 VAL HG11 H 1 0.761 0.043 . 2 . . . A 114 VAL HG11 . 11591 1 1123 . 1 1 114 114 VAL HG12 H 1 0.761 0.043 . 2 . . . A 114 VAL HG12 . 11591 1 1124 . 1 1 114 114 VAL HG13 H 1 0.761 0.043 . 2 . . . A 114 VAL HG13 . 11591 1 1125 . 1 1 114 114 VAL HG21 H 1 0.801 0.012 . 2 . . . A 114 VAL HG21 . 11591 1 1126 . 1 1 114 114 VAL HG22 H 1 0.801 0.012 . 2 . . . A 114 VAL HG22 . 11591 1 1127 . 1 1 114 114 VAL HG23 H 1 0.801 0.012 . 2 . . . A 114 VAL HG23 . 11591 1 1128 . 1 1 115 115 ARG CA C 13 55.927 0.089 . 1 . . . A 115 ARG CA . 11591 1 1129 . 1 1 115 115 ARG CB C 13 32.804 0.062 . 1 . . . A 115 ARG CB . 11591 1 1130 . 1 1 115 115 ARG CG C 13 31.464 0.011 . 1 . . . A 115 ARG CG . 11591 1 1131 . 1 1 115 115 ARG C C 13 176.905 0.009 . 1 . . . A 115 ARG C . 11591 1 1132 . 1 1 115 115 ARG H H 1 8.744 0.011 . 1 . . . A 115 ARG H . 11591 1 1133 . 1 1 115 115 ARG HA H 1 3.556 0.009 . 1 . . . A 115 ARG HA . 11591 1 1134 . 1 1 115 115 ARG HB2 H 1 1.966 0.027 . 2 . . . A 115 ARG HB2 . 11591 1 1135 . 1 1 115 115 ARG HB3 H 1 1.266 0.022 . 2 . . . A 115 ARG HB3 . 11591 1 1136 . 1 1 115 115 ARG HG2 H 1 2.279 0.017 . 2 . . . A 115 ARG HG2 . 11591 1 1137 . 1 1 115 115 ARG HG3 H 1 2.235 0.005 . 2 . . . A 115 ARG HG3 . 11591 1 1138 . 1 1 115 115 ARG N N 15 128.637 0.049 . 1 . . . A 115 ARG N . 11591 1 1139 . 1 1 116 116 GLY CA C 13 43.595 0.087 . 1 . . . A 116 GLY CA . 11591 1 1140 . 1 1 116 116 GLY C C 13 172.007 0.032 . 1 . . . A 116 GLY C . 11591 1 1141 . 1 1 116 116 GLY HA2 H 1 3.698 0.015 . 2 . . . A 116 GLY HA2 . 11591 1 1142 . 1 1 116 116 GLY HA3 H 1 2.168 0.025 . 2 . . . A 116 GLY HA3 . 11591 1 1143 . 1 1 116 116 GLY H H 1 7.658 0 . 1 . . . A 116 GLY H . 11591 1 1144 . 1 1 116 116 GLY N N 15 104.507 0.031 . 1 . . . A 116 GLY N . 11591 1 1145 . 1 1 117 117 THR CA C 13 59.856 0.087 . 1 . . . A 117 THR CA . 11591 1 1146 . 1 1 117 117 THR CB C 13 70.209 0.043 . 1 . . . A 117 THR CB . 11591 1 1147 . 1 1 117 117 THR CG2 C 13 22.065 0 . 1 . . . A 117 THR CG2 . 11591 1 1148 . 1 1 117 117 THR C C 13 173.033 0 . 1 . . . A 117 THR C . 11591 1 1149 . 1 1 117 117 THR HA H 1 4.696 0.008 . 1 . . . A 117 THR HA . 11591 1 1150 . 1 1 117 117 THR HB H 1 4.043 0.015 . 1 . . . A 117 THR HB . 11591 1 1151 . 1 1 117 117 THR H H 1 6.925 0.001 . 1 . . . A 117 THR H . 11591 1 1152 . 1 1 117 117 THR N N 15 109.59 0.027 . 1 . . . A 117 THR N . 11591 1 1153 . 1 1 117 117 THR HG21 H 1 0.982 0.035 . 1 . . . A 117 THR HG21 . 11591 1 1154 . 1 1 117 117 THR HG22 H 1 0.982 0.035 . 1 . . . A 117 THR HG22 . 11591 1 1155 . 1 1 117 117 THR HG23 H 1 0.982 0.035 . 1 . . . A 117 THR HG23 . 11591 1 1156 . 1 1 118 118 PRO CA C 13 61.883 0.256 . 1 . . . A 118 PRO CA . 11591 1 1157 . 1 1 118 118 PRO CB C 13 30.876 0.119 . 1 . . . A 118 PRO CB . 11591 1 1158 . 1 1 118 118 PRO CD C 13 50.51 0.081 . 1 . . . A 118 PRO CD . 11591 1 1159 . 1 1 118 118 PRO C C 13 175.833 0 . 1 . . . A 118 PRO C . 11591 1 1160 . 1 1 118 118 PRO HA H 1 4.191 0.011 . 1 . . . A 118 PRO HA . 11591 1 1161 . 1 1 118 118 PRO HB2 H 1 1.846 0.012 . 2 . . . A 118 PRO HB2 . 11591 1 1162 . 1 1 118 118 PRO HB3 H 1 1.194 0.006 . 2 . . . A 118 PRO HB3 . 11591 1 1163 . 1 1 118 118 PRO HD2 H 1 2.869 0.01 . 2 . . . A 118 PRO HD2 . 11591 1 1164 . 1 1 118 118 PRO HD3 H 1 3.392 0.023 . 2 . . . A 118 PRO HD3 . 11591 1 1165 . 1 1 119 119 TYR CA C 13 56.432 0.074 . 1 . . . A 119 TYR CA . 11591 1 1166 . 1 1 119 119 TYR CB C 13 35.277 0.091 . 1 . . . A 119 TYR CB . 11591 1 1167 . 1 1 119 119 TYR C C 13 174.612 0 . 1 . . . A 119 TYR C . 11591 1 1168 . 1 1 119 119 TYR HA H 1 4.407 0.01 . 1 . . . A 119 TYR HA . 11591 1 1169 . 1 1 119 119 TYR HB2 H 1 3.041 0.017 . 2 . . . A 119 TYR HB2 . 11591 1 1170 . 1 1 119 119 TYR HB3 H 1 2.372 0.011 . 2 . . . A 119 TYR HB3 . 11591 1 1171 . 1 1 119 119 TYR H H 1 7.144 0 . 1 . . . A 119 TYR H . 11591 1 1172 . 1 1 119 119 TYR N N 15 120.715 0.046 . 1 . . . A 119 TYR N . 11591 1 1173 . 1 1 120 120 GLY CA C 13 44.621 0.092 . 1 . . . A 120 GLY CA . 11591 1 1174 . 1 1 120 120 GLY C C 13 168.878 0 . 1 . . . A 120 GLY C . 11591 1 1175 . 1 1 120 120 GLY H H 1 8.277 0.01 . 1 . . . A 120 GLY H . 11591 1 1176 . 1 1 120 120 GLY HA2 H 1 4.816 0.02 . 2 . . . A 120 GLY HA2 . 11591 1 1177 . 1 1 120 120 GLY HA3 H 1 2.687 0.012 . 2 . . . A 120 GLY HA3 . 11591 1 1178 . 1 1 120 120 GLY N N 15 116.695 0.109 . 1 . . . A 120 GLY N . 11591 1 1179 . 1 1 121 121 TYR CA C 13 56.115 0.152 . 1 . . . A 121 TYR CA . 11591 1 1180 . 1 1 121 121 TYR CB C 13 41.256 0.17 . 1 . . . A 121 TYR CB . 11591 1 1181 . 1 1 121 121 TYR C C 13 175.768 0.007 . 1 . . . A 121 TYR C . 11591 1 1182 . 1 1 121 121 TYR HA H 1 4.409 0.013 . 1 . . . A 121 TYR HA . 11591 1 1183 . 1 1 121 121 TYR HB2 H 1 2.422 0.014 . 2 . . . A 121 TYR HB2 . 11591 1 1184 . 1 1 121 121 TYR H H 1 7.562 0.001 . 1 . . . A 121 TYR H . 11591 1 1185 . 1 1 121 121 TYR N N 15 121.161 0.048 . 1 . . . A 121 TYR N . 11591 1 1186 . 1 1 122 122 SER CA C 13 55.92 0.178 . 1 . . . A 122 SER CA . 11591 1 1187 . 1 1 122 122 SER CB C 13 63.216 0.049 . 1 . . . A 122 SER CB . 11591 1 1188 . 1 1 122 122 SER C C 13 172.875 0.008 . 1 . . . A 122 SER C . 11591 1 1189 . 1 1 122 122 SER HA H 1 4.617 0.013 . 1 . . . A 122 SER HA . 11591 1 1190 . 1 1 122 122 SER HB2 H 1 3.675 0.016 . 2 . . . A 122 SER HB2 . 11591 1 1191 . 1 1 122 122 SER HB3 H 1 3.135 0.011 . 2 . . . A 122 SER HB3 . 11591 1 1192 . 1 1 122 122 SER H H 1 8.781 0 . 1 . . . A 122 SER H . 11591 1 1193 . 1 1 122 122 SER N N 15 112.696 0.076 . 1 . . . A 122 SER N . 11591 1 1194 . 1 1 123 123 LEU CA C 13 53.204 0.086 . 1 . . . A 123 LEU CA . 11591 1 1195 . 1 1 123 123 LEU CB C 13 47.472 0.031 . 1 . . . A 123 LEU CB . 11591 1 1196 . 1 1 123 123 LEU CD1 C 13 26.373 0.039 . 2 . . . A 123 LEU CD1 . 11591 1 1197 . 1 1 123 123 LEU CD2 C 13 25.238 0.113 . 2 . . . A 123 LEU CD2 . 11591 1 1198 . 1 1 123 123 LEU CG C 13 26.664 0.036 . 1 . . . A 123 LEU CG . 11591 1 1199 . 1 1 123 123 LEU C C 13 175.469 0.017 . 1 . . . A 123 LEU C . 11591 1 1200 . 1 1 123 123 LEU HA H 1 4.634 0.024 . 1 . . . A 123 LEU HA . 11591 1 1201 . 1 1 123 123 LEU HB2 H 1 1.497 0.013 . 2 . . . A 123 LEU HB2 . 11591 1 1202 . 1 1 123 123 LEU HB3 H 1 0.907 0.011 . 2 . . . A 123 LEU HB3 . 11591 1 1203 . 1 1 123 123 LEU HG H 1 1.144 0.01 . 1 . . . A 123 LEU HG . 11591 1 1204 . 1 1 123 123 LEU H H 1 7.514 0.002 . 1 . . . A 123 LEU H . 11591 1 1205 . 1 1 123 123 LEU N N 15 126.041 0.077 . 1 . . . A 123 LEU N . 11591 1 1206 . 1 1 123 123 LEU HD11 H 1 0.454 0.01 . 2 . . . A 123 LEU HD11 . 11591 1 1207 . 1 1 123 123 LEU HD12 H 1 0.454 0.01 . 2 . . . A 123 LEU HD12 . 11591 1 1208 . 1 1 123 123 LEU HD13 H 1 0.454 0.01 . 2 . . . A 123 LEU HD13 . 11591 1 1209 . 1 1 123 123 LEU HD21 H 1 -0.609 0.014 . 2 . . . A 123 LEU HD21 . 11591 1 1210 . 1 1 123 123 LEU HD22 H 1 -0.609 0.014 . 2 . . . A 123 LEU HD22 . 11591 1 1211 . 1 1 123 123 LEU HD23 H 1 -0.609 0.014 . 2 . . . A 123 LEU HD23 . 11591 1 1212 . 1 1 124 124 TRP CA C 13 58.067 0.123 . 1 . . . A 124 TRP CA . 11591 1 1213 . 1 1 124 124 TRP CB C 13 30.845 0.11 . 1 . . . A 124 TRP CB . 11591 1 1214 . 1 1 124 124 TRP CD1 C 13 129.168 0.037 . 1 . . . A 124 TRP CD1 . 11591 1 1215 . 1 1 124 124 TRP C C 13 178.393 0.004 . 1 . . . A 124 TRP C . 11591 1 1216 . 1 1 124 124 TRP CZ2 C 13 114.638 0.198 . 1 . . . A 124 TRP CZ2 . 11591 1 1217 . 1 1 124 124 TRP HA H 1 4.778 0.027 . 1 . . . A 124 TRP HA . 11591 1 1218 . 1 1 124 124 TRP HB2 H 1 3.163 0.009 . 2 . . . A 124 TRP HB2 . 11591 1 1219 . 1 1 124 124 TRP HB3 H 1 2.926 0.015 . 2 . . . A 124 TRP HB3 . 11591 1 1220 . 1 1 124 124 TRP HD1 H 1 6.84 0.005 . 1 . . . A 124 TRP HD1 . 11591 1 1221 . 1 1 124 124 TRP HE1 H 1 10.291 0.005 . 1 . . . A 124 TRP HE1 . 11591 1 1222 . 1 1 124 124 TRP H H 1 8.807 0.002 . 1 . . . A 124 TRP H . 11591 1 1223 . 1 1 124 124 TRP HZ2 H 1 7.436 0.013 . 1 . . . A 124 TRP HZ2 . 11591 1 1224 . 1 1 124 124 TRP N N 15 122.342 0.059 . 1 . . . A 124 TRP N . 11591 1 1225 . 1 1 124 124 TRP NE1 N 15 129.243 0.027 . 1 . . . A 124 TRP NE1 . 11591 1 1226 . 1 1 125 125 GLU CA C 13 54.973 0.136 . 1 . . . A 125 GLU CA . 11591 1 1227 . 1 1 125 125 GLU CB C 13 38.347 0.083 . 1 . . . A 125 GLU CB . 11591 1 1228 . 1 1 125 125 GLU C C 13 173.385 0.009 . 1 . . . A 125 GLU C . 11591 1 1229 . 1 1 125 125 GLU HA H 1 4.645 0.026 . 1 . . . A 125 GLU HA . 11591 1 1230 . 1 1 125 125 GLU HB2 H 1 1.891 0.035 . 1 . . . A 125 GLU HB2 . 11591 1 1231 . 1 1 125 125 GLU HB3 H 1 1.966 0.002 . 1 . . . A 125 GLU HB3 . 11591 1 1232 . 1 1 125 125 GLU H H 1 7.367 0.001 . 1 . . . A 125 GLU H . 11591 1 1233 . 1 1 125 125 GLU N N 15 115.477 0.06 . 1 . . . A 125 GLU N . 11591 1 1234 . 1 1 126 126 PHE CA C 13 53.533 0.084 . 1 . . . A 126 PHE CA . 11591 1 1235 . 1 1 126 126 PHE CB C 13 40.123 0.096 . 1 . . . A 126 PHE CB . 11591 1 1236 . 1 1 126 126 PHE C C 13 172.95 0.01 . 1 . . . A 126 PHE C . 11591 1 1237 . 1 1 126 126 PHE HA H 1 4.859 0.019 . 1 . . . A 126 PHE HA . 11591 1 1238 . 1 1 126 126 PHE HB2 H 1 2.645 0.019 . 2 . . . A 126 PHE HB2 . 11591 1 1239 . 1 1 126 126 PHE HB3 H 1 2.186 0.015 . 2 . . . A 126 PHE HB3 . 11591 1 1240 . 1 1 126 126 PHE H H 1 8.355 0 . 1 . . . A 126 PHE H . 11591 1 1241 . 1 1 126 126 PHE N N 15 126.946 0.073 . 1 . . . A 126 PHE N . 11591 1 1242 . 1 1 127 127 GLU CA C 13 53.647 0.135 . 1 . . . A 127 GLU CA . 11591 1 1243 . 1 1 127 127 GLU CB C 13 33.264 0.058 . 1 . . . A 127 GLU CB . 11591 1 1244 . 1 1 127 127 GLU C C 13 175.637 0.033 . 1 . . . A 127 GLU C . 11591 1 1245 . 1 1 127 127 GLU HA H 1 4.708 0.029 . 1 . . . A 127 GLU HA . 11591 1 1246 . 1 1 127 127 GLU HB2 H 1 2.131 0.012 . 2 . . . A 127 GLU HB2 . 11591 1 1247 . 1 1 127 127 GLU HB3 H 1 1.548 0.037 . 2 . . . A 127 GLU HB3 . 11591 1 1248 . 1 1 127 127 GLU H H 1 9.36 0.002 . 1 . . . A 127 GLU H . 11591 1 1249 . 1 1 127 127 GLU N N 15 124.159 0.053 . 1 . . . A 127 GLU N . 11591 1 1250 . 1 1 128 128 VAL CA C 13 61.199 0.128 . 1 . . . A 128 VAL CA . 11591 1 1251 . 1 1 128 128 VAL CB C 13 35.697 0.133 . 1 . . . A 128 VAL CB . 11591 1 1252 . 1 1 128 128 VAL CG1 C 13 20.846 0.068 . 1 . . . A 128 VAL CG1 . 11591 1 1253 . 1 1 128 128 VAL C C 13 172.011 0.002 . 1 . . . A 128 VAL C . 11591 1 1254 . 1 1 128 128 VAL HA H 1 4.856 0.028 . 1 . . . A 128 VAL HA . 11591 1 1255 . 1 1 128 128 VAL HB H 1 1.511 0.043 . 1 . . . A 128 VAL HB . 11591 1 1256 . 1 1 128 128 VAL H H 1 7.254 0.001 . 1 . . . A 128 VAL H . 11591 1 1257 . 1 1 128 128 VAL N N 15 119.897 0.069 . 1 . . . A 128 VAL N . 11591 1 1258 . 1 1 128 128 VAL HG11 H 1 0.679 0.022 . 1 . . . A 128 VAL HG11 . 11591 1 1259 . 1 1 128 128 VAL HG12 H 1 0.679 0.022 . 1 . . . A 128 VAL HG12 . 11591 1 1260 . 1 1 128 128 VAL HG13 H 1 0.679 0.022 . 1 . . . A 128 VAL HG13 . 11591 1 1261 . 1 1 129 129 TYR CA C 13 56.202 0.07 . 1 . . . A 129 TYR CA . 11591 1 1262 . 1 1 129 129 TYR CB C 13 43.677 0.147 . 1 . . . A 129 TYR CB . 11591 1 1263 . 1 1 129 129 TYR C C 13 173.899 0.005 . 1 . . . A 129 TYR C . 11591 1 1264 . 1 1 129 129 TYR HA H 1 5.062 0.02 . 1 . . . A 129 TYR HA . 11591 1 1265 . 1 1 129 129 TYR HB2 H 1 3.251 0.017 . 2 . . . A 129 TYR HB2 . 11591 1 1266 . 1 1 129 129 TYR HB3 H 1 2.518 0.022 . 2 . . . A 129 TYR HB3 . 11591 1 1267 . 1 1 129 129 TYR H H 1 9.254 0.002 . 1 . . . A 129 TYR H . 11591 1 1268 . 1 1 129 129 TYR N N 15 123.471 0.039 . 1 . . . A 129 TYR N . 11591 1 1269 . 1 1 130 130 GLY CA C 13 46.375 0.048 . 1 . . . A 130 GLY CA . 11591 1 1270 . 1 1 130 130 GLY C C 13 179.236 0 . 1 . . . A 130 GLY C . 11591 1 1271 . 1 1 130 130 GLY HA2 H 1 4.105 0.013 . 2 . . . A 130 GLY HA2 . 11591 1 1272 . 1 1 130 130 GLY HA3 H 1 3.767 0 . 2 . . . A 130 GLY HA3 . 11591 1 1273 . 1 1 130 130 GLY H H 1 8.711 0.002 . 1 . . . A 130 GLY H . 11591 1 1274 . 1 1 130 130 GLY N N 15 114.537 0.073 . 1 . . . A 130 GLY N . 11591 1 stop_ save_