data_11592 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11592 _Entry.Title ; Solution structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-13 _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 . . . . 11592 2 Shigenori Nishimura . . . . 11592 3 Tamo Fukamizo . . . . 11592 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' . 11592 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CBM . 11592 'carbohydrate-binding module' . 11592 chitosanase . 11592 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11592 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 11592 '15N chemical shifts' 137 11592 '1H chemical shifts' 671 11592 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 . 11592 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11591 'Solution structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5' 11592 PDB 2RVA 'BMRB Entry Tracking System' 11592 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11592 _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 . . . . 11592 1 2 Shigenori Nishimura . . . . 11592 1 3 Yoshihito Kitaoku . . . . 11592 1 4 Takayuki Ohnuma . . . . 11592 1 5 Tomoyuki Numata . . . . 11592 1 6 Hisashi Kimoto . . . . 11592 1 7 Hideo Kusaoke . . . . 11592 1 8 Tamo Fukamizo . . . . 11592 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11592 _Assembly.ID 1 _Assembly.Name 'chitosan-binding module 2' _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 $DD2 A . yes native no no . . . 11592 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DD2 _Entity.Sf_category entity _Entity.Sf_framecode DD2 _Entity.Entry_ID 11592 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DD2 _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 ; NLALNKATATSSIETAGHEG DKAVDGNAATRWASAYGASP QWIYINLGSTQSISRVKLNW EDAYATAYSIQVSNDSGSTP TNWTTVYSTTTGDGAIDDIT FAATNAKFVRVYATTRATAY GYSLWEFEVYG ; _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 131 _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 14081.312 _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 . 11592 1 2 2 LEU . 11592 1 3 3 ALA . 11592 1 4 4 LEU . 11592 1 5 5 ASN . 11592 1 6 6 LYS . 11592 1 7 7 ALA . 11592 1 8 8 THR . 11592 1 9 9 ALA . 11592 1 10 10 THR . 11592 1 11 11 SER . 11592 1 12 12 SER . 11592 1 13 13 ILE . 11592 1 14 14 GLU . 11592 1 15 15 THR . 11592 1 16 16 ALA . 11592 1 17 17 GLY . 11592 1 18 18 HIS . 11592 1 19 19 GLU . 11592 1 20 20 GLY . 11592 1 21 21 ASP . 11592 1 22 22 LYS . 11592 1 23 23 ALA . 11592 1 24 24 VAL . 11592 1 25 25 ASP . 11592 1 26 26 GLY . 11592 1 27 27 ASN . 11592 1 28 28 ALA . 11592 1 29 29 ALA . 11592 1 30 30 THR . 11592 1 31 31 ARG . 11592 1 32 32 TRP . 11592 1 33 33 ALA . 11592 1 34 34 SER . 11592 1 35 35 ALA . 11592 1 36 36 TYR . 11592 1 37 37 GLY . 11592 1 38 38 ALA . 11592 1 39 39 SER . 11592 1 40 40 PRO . 11592 1 41 41 GLN . 11592 1 42 42 TRP . 11592 1 43 43 ILE . 11592 1 44 44 TYR . 11592 1 45 45 ILE . 11592 1 46 46 ASN . 11592 1 47 47 LEU . 11592 1 48 48 GLY . 11592 1 49 49 SER . 11592 1 50 50 THR . 11592 1 51 51 GLN . 11592 1 52 52 SER . 11592 1 53 53 ILE . 11592 1 54 54 SER . 11592 1 55 55 ARG . 11592 1 56 56 VAL . 11592 1 57 57 LYS . 11592 1 58 58 LEU . 11592 1 59 59 ASN . 11592 1 60 60 TRP . 11592 1 61 61 GLU . 11592 1 62 62 ASP . 11592 1 63 63 ALA . 11592 1 64 64 TYR . 11592 1 65 65 ALA . 11592 1 66 66 THR . 11592 1 67 67 ALA . 11592 1 68 68 TYR . 11592 1 69 69 SER . 11592 1 70 70 ILE . 11592 1 71 71 GLN . 11592 1 72 72 VAL . 11592 1 73 73 SER . 11592 1 74 74 ASN . 11592 1 75 75 ASP . 11592 1 76 76 SER . 11592 1 77 77 GLY . 11592 1 78 78 SER . 11592 1 79 79 THR . 11592 1 80 80 PRO . 11592 1 81 81 THR . 11592 1 82 82 ASN . 11592 1 83 83 TRP . 11592 1 84 84 THR . 11592 1 85 85 THR . 11592 1 86 86 VAL . 11592 1 87 87 TYR . 11592 1 88 88 SER . 11592 1 89 89 THR . 11592 1 90 90 THR . 11592 1 91 91 THR . 11592 1 92 92 GLY . 11592 1 93 93 ASP . 11592 1 94 94 GLY . 11592 1 95 95 ALA . 11592 1 96 96 ILE . 11592 1 97 97 ASP . 11592 1 98 98 ASP . 11592 1 99 99 ILE . 11592 1 100 100 THR . 11592 1 101 101 PHE . 11592 1 102 102 ALA . 11592 1 103 103 ALA . 11592 1 104 104 THR . 11592 1 105 105 ASN . 11592 1 106 106 ALA . 11592 1 107 107 LYS . 11592 1 108 108 PHE . 11592 1 109 109 VAL . 11592 1 110 110 ARG . 11592 1 111 111 VAL . 11592 1 112 112 TYR . 11592 1 113 113 ALA . 11592 1 114 114 THR . 11592 1 115 115 THR . 11592 1 116 116 ARG . 11592 1 117 117 ALA . 11592 1 118 118 THR . 11592 1 119 119 ALA . 11592 1 120 120 TYR . 11592 1 121 121 GLY . 11592 1 122 122 TYR . 11592 1 123 123 SER . 11592 1 124 124 LEU . 11592 1 125 125 TRP . 11592 1 126 126 GLU . 11592 1 127 127 PHE . 11592 1 128 128 GLU . 11592 1 129 129 VAL . 11592 1 130 130 TYR . 11592 1 131 131 GLY . 11592 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 11592 1 . LEU 2 2 11592 1 . ALA 3 3 11592 1 . LEU 4 4 11592 1 . ASN 5 5 11592 1 . LYS 6 6 11592 1 . ALA 7 7 11592 1 . THR 8 8 11592 1 . ALA 9 9 11592 1 . THR 10 10 11592 1 . SER 11 11 11592 1 . SER 12 12 11592 1 . ILE 13 13 11592 1 . GLU 14 14 11592 1 . THR 15 15 11592 1 . ALA 16 16 11592 1 . GLY 17 17 11592 1 . HIS 18 18 11592 1 . GLU 19 19 11592 1 . GLY 20 20 11592 1 . ASP 21 21 11592 1 . LYS 22 22 11592 1 . ALA 23 23 11592 1 . VAL 24 24 11592 1 . ASP 25 25 11592 1 . GLY 26 26 11592 1 . ASN 27 27 11592 1 . ALA 28 28 11592 1 . ALA 29 29 11592 1 . THR 30 30 11592 1 . ARG 31 31 11592 1 . TRP 32 32 11592 1 . ALA 33 33 11592 1 . SER 34 34 11592 1 . ALA 35 35 11592 1 . TYR 36 36 11592 1 . GLY 37 37 11592 1 . ALA 38 38 11592 1 . SER 39 39 11592 1 . PRO 40 40 11592 1 . GLN 41 41 11592 1 . TRP 42 42 11592 1 . ILE 43 43 11592 1 . TYR 44 44 11592 1 . ILE 45 45 11592 1 . ASN 46 46 11592 1 . LEU 47 47 11592 1 . GLY 48 48 11592 1 . SER 49 49 11592 1 . THR 50 50 11592 1 . GLN 51 51 11592 1 . SER 52 52 11592 1 . ILE 53 53 11592 1 . SER 54 54 11592 1 . ARG 55 55 11592 1 . VAL 56 56 11592 1 . LYS 57 57 11592 1 . LEU 58 58 11592 1 . ASN 59 59 11592 1 . TRP 60 60 11592 1 . GLU 61 61 11592 1 . ASP 62 62 11592 1 . ALA 63 63 11592 1 . TYR 64 64 11592 1 . ALA 65 65 11592 1 . THR 66 66 11592 1 . ALA 67 67 11592 1 . TYR 68 68 11592 1 . SER 69 69 11592 1 . ILE 70 70 11592 1 . GLN 71 71 11592 1 . VAL 72 72 11592 1 . SER 73 73 11592 1 . ASN 74 74 11592 1 . ASP 75 75 11592 1 . SER 76 76 11592 1 . GLY 77 77 11592 1 . SER 78 78 11592 1 . THR 79 79 11592 1 . PRO 80 80 11592 1 . THR 81 81 11592 1 . ASN 82 82 11592 1 . TRP 83 83 11592 1 . THR 84 84 11592 1 . THR 85 85 11592 1 . VAL 86 86 11592 1 . TYR 87 87 11592 1 . SER 88 88 11592 1 . THR 89 89 11592 1 . THR 90 90 11592 1 . THR 91 91 11592 1 . GLY 92 92 11592 1 . ASP 93 93 11592 1 . GLY 94 94 11592 1 . ALA 95 95 11592 1 . ILE 96 96 11592 1 . ASP 97 97 11592 1 . ASP 98 98 11592 1 . ILE 99 99 11592 1 . THR 100 100 11592 1 . PHE 101 101 11592 1 . ALA 102 102 11592 1 . ALA 103 103 11592 1 . THR 104 104 11592 1 . ASN 105 105 11592 1 . ALA 106 106 11592 1 . LYS 107 107 11592 1 . PHE 108 108 11592 1 . VAL 109 109 11592 1 . ARG 110 110 11592 1 . VAL 111 111 11592 1 . TYR 112 112 11592 1 . ALA 113 113 11592 1 . THR 114 114 11592 1 . THR 115 115 11592 1 . ARG 116 116 11592 1 . ALA 117 117 11592 1 . THR 118 118 11592 1 . ALA 119 119 11592 1 . TYR 120 120 11592 1 . GLY 121 121 11592 1 . TYR 122 122 11592 1 . SER 123 123 11592 1 . LEU 124 124 11592 1 . TRP 125 125 11592 1 . GLU 126 126 11592 1 . PHE 127 127 11592 1 . GLU 128 128 11592 1 . VAL 129 129 11592 1 . TYR 130 130 11592 1 . GLY 131 131 11592 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 11592 _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 $DD2 . 44249 organism . 'Paenibacillus sp.' 'Paenibacillus sp.' . . Bacteria . Paenibacillus sp. IK-5 . . . . . . . . . . . . 11592 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 11592 _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 $DD2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . 'pET Blue-1' . . . 11592 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11592 _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 DD2 '[U-95% 13C; U-95% 15N]' . . 1 $DD2 . protein 0.4 . . mM . . . . 11592 1 2 TRIS 'natural abundance' . . . . . buffer 10 . . mM . . . . 11592 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11592 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11592 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11592 _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 DD2 '[U-95% 13C; U-95% 15N]' . . 1 $DD2 . protein 0.4 . . mM . . . . 11592 2 2 D2O [U-2H] . . . . . solvent 100 . . % . . . . 11592 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 11592 _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 11592 1 pressure 1 . atm 11592 1 temperature 300 . K 11592 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11592 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11592 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11592 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11592 _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' . . 11592 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11592 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11592 _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 . . 11592 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11592 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11592 _Software.ID 4 _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' . . 11592 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle prediction' 11592 4 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 11592 _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 11592 _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 . . . 11592 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 11592 _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 . . . . . . . . . . . . . . . . 11592 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11592 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 11592 _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 . . . . . 11592 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11592 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11592 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 11592 _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 11592 1 2 '3D HNCO' 1 $sample_1 isotropic 11592 1 3 '3D HNCA' 1 $sample_1 isotropic 11592 1 4 '3D HNCACB' 1 $sample_1 isotropic 11592 1 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11592 1 6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11592 1 7 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11592 1 8 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11592 1 9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11592 1 10 '3D 1H-13C NOESY' 2 $sample_2 isotropic 11592 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 C C 13 175.981 0.048 . 1 . . . A 1 ASN C . 11592 1 2 . 1 1 1 1 ASN CA C 13 52.514 0.051 . 1 . . . A 1 ASN CA . 11592 1 3 . 1 1 1 1 ASN CB C 13 36.893 0.047 . 1 . . . A 1 ASN CB . 11592 1 4 . 1 1 1 1 ASN H H 1 8.506 0.009 . 1 . . . A 1 ASN H . 11592 1 5 . 1 1 1 1 ASN HA H 1 4.114 0.021 . 1 . . . A 1 ASN HA . 11592 1 6 . 1 1 1 1 ASN HB2 H 1 2.908 0 . 2 . . . A 1 ASN HB2 . 11592 1 7 . 1 1 1 1 ASN HB3 H 1 2.731 0 . 2 . . . A 1 ASN HB3 . 11592 1 8 . 1 1 1 1 ASN N N 15 120.629 0 . 1 . . . A 1 ASN N . 11592 1 9 . 1 1 2 2 LEU C C 13 176.751 0.003 . 1 . . . A 2 LEU C . 11592 1 10 . 1 1 2 2 LEU CA C 13 55.83 0.083 . 1 . . . A 2 LEU CA . 11592 1 11 . 1 1 2 2 LEU CB C 13 42.174 0.069 . 1 . . . A 2 LEU CB . 11592 1 12 . 1 1 2 2 LEU H H 1 9.106 0.005 . 1 . . . A 2 LEU H . 11592 1 13 . 1 1 2 2 LEU HA H 1 3.855 0.022 . 1 . . . A 2 LEU HA . 11592 1 14 . 1 1 2 2 LEU HB2 H 1 1.269 0.044 . 2 . . . A 2 LEU HB2 . 11592 1 15 . 1 1 2 2 LEU N N 15 129.252 0.005 . 1 . . . A 2 LEU N . 11592 1 16 . 1 1 3 3 ALA C C 13 176.405 0 . 1 . . . A 3 ALA C . 11592 1 17 . 1 1 3 3 ALA CA C 13 52.868 0.266 . 1 . . . A 3 ALA CA . 11592 1 18 . 1 1 3 3 ALA CB C 13 21.722 0.073 . 1 . . . A 3 ALA CB . 11592 1 19 . 1 1 3 3 ALA H H 1 7.68 0.01 . 1 . . . A 3 ALA H . 11592 1 20 . 1 1 3 3 ALA HA H 1 3.666 0.023 . 1 . . . A 3 ALA HA . 11592 1 21 . 1 1 3 3 ALA N N 15 117.308 0 . 1 . . . A 3 ALA N . 11592 1 22 . 1 1 3 3 ALA HB1 H 1 1.311 0.025 . 1 . . . A 3 ALA HB1 . 11592 1 23 . 1 1 3 3 ALA HB2 H 1 1.311 0.025 . 1 . . . A 3 ALA HB2 . 11592 1 24 . 1 1 3 3 ALA HB3 H 1 1.311 0.025 . 1 . . . A 3 ALA HB3 . 11592 1 25 . 1 1 4 4 LEU C C 13 178.148 0 . 1 . . . A 4 LEU C . 11592 1 26 . 1 1 4 4 LEU CA C 13 56.3 0.133 . 1 . . . A 4 LEU CA . 11592 1 27 . 1 1 4 4 LEU CB C 13 42.527 0.129 . 1 . . . A 4 LEU CB . 11592 1 28 . 1 1 4 4 LEU CD1 C 13 25.452 0.104 . 1 . . . A 4 LEU CD1 . 11592 1 29 . 1 1 4 4 LEU HA H 1 3.943 0.022 . 1 . . . A 4 LEU HA . 11592 1 30 . 1 1 4 4 LEU HB2 H 1 1.607 0.027 . 2 . . . A 4 LEU HB2 . 11592 1 31 . 1 1 4 4 LEU HB3 H 1 1.336 0 . 2 . . . A 4 LEU HB3 . 11592 1 32 . 1 1 4 4 LEU HD11 H 1 0.774 0.018 . 1 . . . A 4 LEU HD11 . 11592 1 33 . 1 1 4 4 LEU HD12 H 1 0.774 0.018 . 1 . . . A 4 LEU HD12 . 11592 1 34 . 1 1 4 4 LEU HD13 H 1 0.774 0.018 . 1 . . . A 4 LEU HD13 . 11592 1 35 . 1 1 5 5 ASN C C 13 174.256 0.003 . 1 . . . A 5 ASN C . 11592 1 36 . 1 1 5 5 ASN CA C 13 55.116 0.078 . 1 . . . A 5 ASN CA . 11592 1 37 . 1 1 5 5 ASN CB C 13 37.339 0.084 . 1 . . . A 5 ASN CB . 11592 1 38 . 1 1 5 5 ASN H H 1 9.849 0.007 . 1 . . . A 5 ASN H . 11592 1 39 . 1 1 5 5 ASN HA H 1 4.244 0.029 . 1 . . . A 5 ASN HA . 11592 1 40 . 1 1 5 5 ASN HB2 H 1 3.055 0.013 . 2 . . . A 5 ASN HB2 . 11592 1 41 . 1 1 5 5 ASN HB3 H 1 2.821 0.031 . 2 . . . A 5 ASN HB3 . 11592 1 42 . 1 1 5 5 ASN HD21 H 1 7.068 0.004 . 2 . . . A 5 ASN HD21 . 11592 1 43 . 1 1 5 5 ASN HD22 H 1 7.529 0.005 . 2 . . . A 5 ASN HD22 . 11592 1 44 . 1 1 5 5 ASN N N 15 118.595 0.008 . 1 . . . A 5 ASN N . 11592 1 45 . 1 1 5 5 ASN ND2 N 15 112.521 0 . 1 . . . A 5 ASN ND2 . 11592 1 46 . 1 1 6 6 LYS C C 13 175.786 0.02 . 1 . . . A 6 LYS C . 11592 1 47 . 1 1 6 6 LYS CA C 13 53.333 0.144 . 1 . . . A 6 LYS CA . 11592 1 48 . 1 1 6 6 LYS CB C 13 31.449 0.126 . 1 . . . A 6 LYS CB . 11592 1 49 . 1 1 6 6 LYS H H 1 7.654 0.01 . 1 . . . A 6 LYS H . 11592 1 50 . 1 1 6 6 LYS HA H 1 4.348 0.025 . 1 . . . A 6 LYS HA . 11592 1 51 . 1 1 6 6 LYS HB2 H 1 2.066 0.032 . 2 . . . A 6 LYS HB2 . 11592 1 52 . 1 1 6 6 LYS HB3 H 1 1.672 0.031 . 2 . . . A 6 LYS HB3 . 11592 1 53 . 1 1 6 6 LYS N N 15 119.047 0.054 . 1 . . . A 6 LYS N . 11592 1 54 . 1 1 7 7 ALA C C 13 176.923 0.011 . 1 . . . A 7 ALA C . 11592 1 55 . 1 1 7 7 ALA CA C 13 53.456 0.126 . 1 . . . A 7 ALA CA . 11592 1 56 . 1 1 7 7 ALA CB C 13 19.351 0.052 . 1 . . . A 7 ALA CB . 11592 1 57 . 1 1 7 7 ALA H H 1 7.995 0.007 . 1 . . . A 7 ALA H . 11592 1 58 . 1 1 7 7 ALA HA H 1 4.243 0.027 . 1 . . . A 7 ALA HA . 11592 1 59 . 1 1 7 7 ALA N N 15 121.758 0.091 . 1 . . . A 7 ALA N . 11592 1 60 . 1 1 7 7 ALA HB1 H 1 1.509 0.023 . 1 . . . A 7 ALA HB1 . 11592 1 61 . 1 1 7 7 ALA HB2 H 1 1.509 0.023 . 1 . . . A 7 ALA HB2 . 11592 1 62 . 1 1 7 7 ALA HB3 H 1 1.509 0.023 . 1 . . . A 7 ALA HB3 . 11592 1 63 . 1 1 8 8 THR C C 13 174.745 0.003 . 1 . . . A 8 THR C . 11592 1 64 . 1 1 8 8 THR CA C 13 59.127 0.059 . 1 . . . A 8 THR CA . 11592 1 65 . 1 1 8 8 THR CB C 13 74.78 0.1 . 1 . . . A 8 THR CB . 11592 1 66 . 1 1 8 8 THR CG2 C 13 22.401 0.134 . 1 . . . A 8 THR CG2 . 11592 1 67 . 1 1 8 8 THR H H 1 7.989 0.007 . 1 . . . A 8 THR H . 11592 1 68 . 1 1 8 8 THR HA H 1 5.426 0.022 . 1 . . . A 8 THR HA . 11592 1 69 . 1 1 8 8 THR HB H 1 3.67 0.037 . 1 . . . A 8 THR HB . 11592 1 70 . 1 1 8 8 THR N N 15 110.064 0.06 . 1 . . . A 8 THR N . 11592 1 71 . 1 1 8 8 THR HG21 H 1 1.003 0.017 . 1 . . . A 8 THR HG21 . 11592 1 72 . 1 1 8 8 THR HG22 H 1 1.003 0.017 . 1 . . . A 8 THR HG22 . 11592 1 73 . 1 1 8 8 THR HG23 H 1 1.003 0.017 . 1 . . . A 8 THR HG23 . 11592 1 74 . 1 1 9 9 ALA C C 13 175.372 0 . 1 . . . A 9 ALA C . 11592 1 75 . 1 1 9 9 ALA CA C 13 51.498 0.237 . 1 . . . A 9 ALA CA . 11592 1 76 . 1 1 9 9 ALA CB C 13 21.565 0.048 . 1 . . . A 9 ALA CB . 11592 1 77 . 1 1 9 9 ALA H H 1 8.186 0.008 . 1 . . . A 9 ALA H . 11592 1 78 . 1 1 9 9 ALA HA H 1 4.543 0.028 . 1 . . . A 9 ALA HA . 11592 1 79 . 1 1 9 9 ALA N N 15 121.445 0.043 . 1 . . . A 9 ALA N . 11592 1 80 . 1 1 9 9 ALA HB1 H 1 0.83 0.028 . 1 . . . A 9 ALA HB1 . 11592 1 81 . 1 1 9 9 ALA HB2 H 1 0.83 0.028 . 1 . . . A 9 ALA HB2 . 11592 1 82 . 1 1 9 9 ALA HB3 H 1 0.83 0.028 . 1 . . . A 9 ALA HB3 . 11592 1 83 . 1 1 10 10 THR C C 13 174.256 0.007 . 1 . . . A 10 THR C . 11592 1 84 . 1 1 10 10 THR CA C 13 58.441 0.096 . 1 . . . A 10 THR CA . 11592 1 85 . 1 1 10 10 THR CB C 13 72.633 0.084 . 1 . . . A 10 THR CB . 11592 1 86 . 1 1 10 10 THR CG2 C 13 21.082 0.083 . 1 . . . A 10 THR CG2 . 11592 1 87 . 1 1 10 10 THR H H 1 8.373 0.009 . 1 . . . A 10 THR H . 11592 1 88 . 1 1 10 10 THR HA H 1 4.569 0.031 . 1 . . . A 10 THR HA . 11592 1 89 . 1 1 10 10 THR HB H 1 4.035 0.022 . 1 . . . A 10 THR HB . 11592 1 90 . 1 1 10 10 THR N N 15 108.591 0.052 . 1 . . . A 10 THR N . 11592 1 91 . 1 1 10 10 THR HG21 H 1 0.182 0.023 . 1 . . . A 10 THR HG21 . 11592 1 92 . 1 1 10 10 THR HG22 H 1 0.182 0.023 . 1 . . . A 10 THR HG22 . 11592 1 93 . 1 1 10 10 THR HG23 H 1 0.182 0.023 . 1 . . . A 10 THR HG23 . 11592 1 94 . 1 1 11 11 SER C C 13 175.141 0 . 1 . . . A 11 SER C . 11592 1 95 . 1 1 11 11 SER CA C 13 59.963 0.101 . 1 . . . A 11 SER CA . 11592 1 96 . 1 1 11 11 SER CB C 13 59.721 0.099 . 1 . . . A 11 SER CB . 11592 1 97 . 1 1 11 11 SER H H 1 7.82 0.011 . 1 . . . A 11 SER H . 11592 1 98 . 1 1 11 11 SER HA H 1 3.558 0.032 . 1 . . . A 11 SER HA . 11592 1 99 . 1 1 11 11 SER HB2 H 1 1.445 0.024 . 2 . . . A 11 SER HB2 . 11592 1 100 . 1 1 11 11 SER HB3 H 1 3.034 0.015 . 2 . . . A 11 SER HB3 . 11592 1 101 . 1 1 11 11 SER N N 15 115.767 0.065 . 1 . . . A 11 SER N . 11592 1 102 . 1 1 12 12 SER C C 13 172.578 0.007 . 1 . . . A 12 SER C . 11592 1 103 . 1 1 12 12 SER CA C 13 58.085 0.117 . 1 . . . A 12 SER CA . 11592 1 104 . 1 1 12 12 SER CB C 13 64.446 0.308 . 1 . . . A 12 SER CB . 11592 1 105 . 1 1 12 12 SER H H 1 7.402 0.007 . 1 . . . A 12 SER H . 11592 1 106 . 1 1 12 12 SER HA H 1 4.503 0.024 . 1 . . . A 12 SER HA . 11592 1 107 . 1 1 12 12 SER HB2 H 1 4.196 0.034 . 2 . . . A 12 SER HB2 . 11592 1 108 . 1 1 12 12 SER HB3 H 1 3.803 0.019 . 2 . . . A 12 SER HB3 . 11592 1 109 . 1 1 12 12 SER N N 15 111.486 0.078 . 1 . . . A 12 SER N . 11592 1 110 . 1 1 13 13 ILE C C 13 175.919 0.019 . 1 . . . A 13 ILE C . 11592 1 111 . 1 1 13 13 ILE CA C 13 59.192 0.105 . 1 . . . A 13 ILE CA . 11592 1 112 . 1 1 13 13 ILE CB C 13 42.836 0.116 . 1 . . . A 13 ILE CB . 11592 1 113 . 1 1 13 13 ILE CD1 C 13 19.436 0.236 . 1 . . . A 13 ILE CD1 . 11592 1 114 . 1 1 13 13 ILE CG1 C 13 25.686 0.117 . 1 . . . A 13 ILE CG1 . 11592 1 115 . 1 1 13 13 ILE CG2 C 13 14.386 0.077 . 1 . . . A 13 ILE CG2 . 11592 1 116 . 1 1 13 13 ILE H H 1 8.348 0.008 . 1 . . . A 13 ILE H . 11592 1 117 . 1 1 13 13 ILE HA H 1 5.199 0.019 . 1 . . . A 13 ILE HA . 11592 1 118 . 1 1 13 13 ILE HB H 1 1.646 0.022 . 1 . . . A 13 ILE HB . 11592 1 119 . 1 1 13 13 ILE HG12 H 1 1.223 0.038 . 1 . . . A 13 ILE HG12 . 11592 1 120 . 1 1 13 13 ILE N N 15 113.453 0.055 . 1 . . . A 13 ILE N . 11592 1 121 . 1 1 13 13 ILE HD11 H 1 0.968 0.018 . 1 . . . A 13 ILE HD11 . 11592 1 122 . 1 1 13 13 ILE HD12 H 1 0.968 0.018 . 1 . . . A 13 ILE HD12 . 11592 1 123 . 1 1 13 13 ILE HD13 H 1 0.968 0.018 . 1 . . . A 13 ILE HD13 . 11592 1 124 . 1 1 13 13 ILE HG21 H 1 0.783 0.008 . 1 . . . A 13 ILE HG21 . 11592 1 125 . 1 1 13 13 ILE HG22 H 1 0.783 0.008 . 1 . . . A 13 ILE HG22 . 11592 1 126 . 1 1 13 13 ILE HG23 H 1 0.783 0.008 . 1 . . . A 13 ILE HG23 . 11592 1 127 . 1 1 14 14 GLU C C 13 175.814 0.052 . 1 . . . A 14 GLU C . 11592 1 128 . 1 1 14 14 GLU CA C 13 59.185 0.083 . 1 . . . A 14 GLU CA . 11592 1 129 . 1 1 14 14 GLU CB C 13 32.134 0.357 . 1 . . . A 14 GLU CB . 11592 1 130 . 1 1 14 14 GLU CG C 13 34.917 0.188 . 1 . . . A 14 GLU CG . 11592 1 131 . 1 1 14 14 GLU H H 1 8.442 0.011 . 1 . . . A 14 GLU H . 11592 1 132 . 1 1 14 14 GLU HA H 1 3.305 0.028 . 1 . . . A 14 GLU HA . 11592 1 133 . 1 1 14 14 GLU HB2 H 1 1.867 0.025 . 2 . . . A 14 GLU HB2 . 11592 1 134 . 1 1 14 14 GLU HB3 H 1 1.274 0.03 . 2 . . . A 14 GLU HB3 . 11592 1 135 . 1 1 14 14 GLU HG2 H 1 1.679 0.013 . 2 . . . A 14 GLU HG2 . 11592 1 136 . 1 1 14 14 GLU N N 15 124.457 0.055 . 1 . . . A 14 GLU N . 11592 1 137 . 1 1 15 15 THR C C 13 171.526 0.026 . 1 . . . A 15 THR C . 11592 1 138 . 1 1 15 15 THR CA C 13 58.596 0.159 . 1 . . . A 15 THR CA . 11592 1 139 . 1 1 15 15 THR CB C 13 68.486 0.112 . 1 . . . A 15 THR CB . 11592 1 140 . 1 1 15 15 THR CG2 C 13 18.706 0.084 . 1 . . . A 15 THR CG2 . 11592 1 141 . 1 1 15 15 THR H H 1 6.771 0.008 . 1 . . . A 15 THR H . 11592 1 142 . 1 1 15 15 THR HA H 1 4.284 0.04 . 1 . . . A 15 THR HA . 11592 1 143 . 1 1 15 15 THR HB H 1 4.2 0.012 . 1 . . . A 15 THR HB . 11592 1 144 . 1 1 15 15 THR N N 15 105.688 0.056 . 1 . . . A 15 THR N . 11592 1 145 . 1 1 15 15 THR HG21 H 1 0.917 0.023 . 1 . . . A 15 THR HG21 . 11592 1 146 . 1 1 15 15 THR HG22 H 1 0.917 0.023 . 1 . . . A 15 THR HG22 . 11592 1 147 . 1 1 15 15 THR HG23 H 1 0.917 0.023 . 1 . . . A 15 THR HG23 . 11592 1 148 . 1 1 16 16 ALA C C 13 177.803 0.017 . 1 . . . A 16 ALA C . 11592 1 149 . 1 1 16 16 ALA CA C 13 53.202 0.179 . 1 . . . A 16 ALA CA . 11592 1 150 . 1 1 16 16 ALA CB C 13 18.202 0.126 . 1 . . . A 16 ALA CB . 11592 1 151 . 1 1 16 16 ALA H H 1 7.949 0.007 . 1 . . . A 16 ALA H . 11592 1 152 . 1 1 16 16 ALA HA H 1 4.208 0.024 . 1 . . . A 16 ALA HA . 11592 1 153 . 1 1 16 16 ALA N N 15 126.25 0.059 . 1 . . . A 16 ALA N . 11592 1 154 . 1 1 16 16 ALA HB1 H 1 1.331 0.023 . 1 . . . A 16 ALA HB1 . 11592 1 155 . 1 1 16 16 ALA HB2 H 1 1.331 0.023 . 1 . . . A 16 ALA HB2 . 11592 1 156 . 1 1 16 16 ALA HB3 H 1 1.331 0.023 . 1 . . . A 16 ALA HB3 . 11592 1 157 . 1 1 17 17 GLY C C 13 174.324 0.007 . 1 . . . A 17 GLY C . 11592 1 158 . 1 1 17 17 GLY CA C 13 45.624 0.227 . 1 . . . A 17 GLY CA . 11592 1 159 . 1 1 17 17 GLY H H 1 9.716 0.007 . 1 . . . A 17 GLY H . 11592 1 160 . 1 1 17 17 GLY HA2 H 1 3.688 0.037 . 2 . . . A 17 GLY HA2 . 11592 1 161 . 1 1 17 17 GLY HA3 H 1 4.205 0.02 . 2 . . . A 17 GLY HA3 . 11592 1 162 . 1 1 17 17 GLY N N 15 113.438 0.047 . 1 . . . A 17 GLY N . 11592 1 163 . 1 1 18 18 HIS C C 13 174.488 0.006 . 1 . . . A 18 HIS C . 11592 1 164 . 1 1 18 18 HIS CA C 13 53.291 0.146 . 1 . . . A 18 HIS CA . 11592 1 165 . 1 1 18 18 HIS CB C 13 28.945 0.102 . 1 . . . A 18 HIS CB . 11592 1 166 . 1 1 18 18 HIS H H 1 7.382 0.013 . 1 . . . A 18 HIS H . 11592 1 167 . 1 1 18 18 HIS HA H 1 5.806 0.039 . 1 . . . A 18 HIS HA . 11592 1 168 . 1 1 18 18 HIS HB2 H 1 3.603 0.024 . 2 . . . A 18 HIS HB2 . 11592 1 169 . 1 1 18 18 HIS HB3 H 1 2.776 0.032 . 2 . . . A 18 HIS HB3 . 11592 1 170 . 1 1 18 18 HIS N N 15 117.342 0.046 . 1 . . . A 18 HIS N . 11592 1 171 . 1 1 19 19 GLU C C 13 177.423 0 . 1 . . . A 19 GLU C . 11592 1 172 . 1 1 19 19 GLU CA C 13 58.166 0.156 . 1 . . . A 19 GLU CA . 11592 1 173 . 1 1 19 19 GLU CB C 13 29.033 0.048 . 1 . . . A 19 GLU CB . 11592 1 174 . 1 1 19 19 GLU H H 1 8.722 0.008 . 1 . . . A 19 GLU H . 11592 1 175 . 1 1 19 19 GLU HA H 1 4.441 0.013 . 1 . . . A 19 GLU HA . 11592 1 176 . 1 1 19 19 GLU HB2 H 1 2.552 0.044 . 2 . . . A 19 GLU HB2 . 11592 1 177 . 1 1 19 19 GLU HB3 H 1 2.219 0.043 . 2 . . . A 19 GLU HB3 . 11592 1 178 . 1 1 19 19 GLU N N 15 116.275 0.046 . 1 . . . A 19 GLU N . 11592 1 179 . 1 1 20 20 GLY C C 13 175.167 0.019 . 1 . . . A 20 GLY C . 11592 1 180 . 1 1 20 20 GLY CA C 13 48.039 0.098 . 1 . . . A 20 GLY CA . 11592 1 181 . 1 1 20 20 GLY H H 1 9.183 0.01 . 1 . . . A 20 GLY H . 11592 1 182 . 1 1 20 20 GLY HA2 H 1 3.353 0.011 . 2 . . . A 20 GLY HA2 . 11592 1 183 . 1 1 20 20 GLY HA3 H 1 3.393 0.038 . 2 . . . A 20 GLY HA3 . 11592 1 184 . 1 1 20 20 GLY N N 15 106.995 0.017 . 1 . . . A 20 GLY N . 11592 1 185 . 1 1 21 21 ASP C C 13 177.887 0.008 . 1 . . . A 21 ASP C . 11592 1 186 . 1 1 21 21 ASP CA C 13 55.619 0.15 . 1 . . . A 21 ASP CA . 11592 1 187 . 1 1 21 21 ASP CB C 13 39.416 0.112 . 1 . . . A 21 ASP CB . 11592 1 188 . 1 1 21 21 ASP H H 1 8.045 0.009 . 1 . . . A 21 ASP H . 11592 1 189 . 1 1 21 21 ASP HA H 1 4.301 0.013 . 1 . . . A 21 ASP HA . 11592 1 190 . 1 1 21 21 ASP HB2 H 1 2.597 0.027 . 1 . . . A 21 ASP HB2 . 11592 1 191 . 1 1 21 21 ASP N N 15 115.124 0.056 . 1 . . . A 21 ASP N . 11592 1 192 . 1 1 22 22 LYS C C 13 178.627 0 . 1 . . . A 22 LYS C . 11592 1 193 . 1 1 22 22 LYS CA C 13 56.041 0.211 . 1 . . . A 22 LYS CA . 11592 1 194 . 1 1 22 22 LYS CB C 13 31.522 0.405 . 1 . . . A 22 LYS CB . 11592 1 195 . 1 1 22 22 LYS H H 1 7.887 0.019 . 1 . . . A 22 LYS H . 11592 1 196 . 1 1 22 22 LYS HA H 1 4.263 0.009 . 1 . . . A 22 LYS HA . 11592 1 197 . 1 1 22 22 LYS HB2 H 1 2.091 0.026 . 2 . . . A 22 LYS HB2 . 11592 1 198 . 1 1 22 22 LYS HB3 H 1 1.717 0.025 . 2 . . . A 22 LYS HB3 . 11592 1 199 . 1 1 22 22 LYS N N 15 117.459 0.079 . 1 . . . A 22 LYS N . 11592 1 200 . 1 1 23 23 ALA C C 13 175.03 0.019 . 1 . . . A 23 ALA C . 11592 1 201 . 1 1 23 23 ALA CA C 13 52.617 0.185 . 1 . . . A 23 ALA CA . 11592 1 202 . 1 1 23 23 ALA CB C 13 19.593 0.185 . 1 . . . A 23 ALA CB . 11592 1 203 . 1 1 23 23 ALA H H 1 8.529 0.015 . 1 . . . A 23 ALA H . 11592 1 204 . 1 1 23 23 ALA HA H 1 4.651 0.016 . 1 . . . A 23 ALA HA . 11592 1 205 . 1 1 23 23 ALA N N 15 123.985 0.03 . 1 . . . A 23 ALA N . 11592 1 206 . 1 1 23 23 ALA HB1 H 1 1.513 0.037 . 1 . . . A 23 ALA HB1 . 11592 1 207 . 1 1 23 23 ALA HB2 H 1 1.513 0.037 . 1 . . . A 23 ALA HB2 . 11592 1 208 . 1 1 23 23 ALA HB3 H 1 1.513 0.037 . 1 . . . A 23 ALA HB3 . 11592 1 209 . 1 1 24 24 VAL C C 13 174.661 0 . 1 . . . A 24 VAL C . 11592 1 210 . 1 1 24 24 VAL CA C 13 58.871 0.121 . 1 . . . A 24 VAL CA . 11592 1 211 . 1 1 24 24 VAL CB C 13 31.02 0.086 . 1 . . . A 24 VAL CB . 11592 1 212 . 1 1 24 24 VAL CG1 C 13 22.085 0.109 . 2 . . . A 24 VAL CG1 . 11592 1 213 . 1 1 24 24 VAL CG2 C 13 18.77 0.187 . 2 . . . A 24 VAL CG2 . 11592 1 214 . 1 1 24 24 VAL H H 1 6.987 0.009 . 1 . . . A 24 VAL H . 11592 1 215 . 1 1 24 24 VAL HA H 1 5.316 0.023 . 1 . . . A 24 VAL HA . 11592 1 216 . 1 1 24 24 VAL HB H 1 2.891 0.016 . 1 . . . A 24 VAL HB . 11592 1 217 . 1 1 24 24 VAL N N 15 108.314 0.035 . 1 . . . A 24 VAL N . 11592 1 218 . 1 1 24 24 VAL HG11 H 1 0.91 0.022 . 2 . . . A 24 VAL HG11 . 11592 1 219 . 1 1 24 24 VAL HG12 H 1 0.91 0.022 . 2 . . . A 24 VAL HG12 . 11592 1 220 . 1 1 24 24 VAL HG13 H 1 0.91 0.022 . 2 . . . A 24 VAL HG13 . 11592 1 221 . 1 1 24 24 VAL HG21 H 1 0.689 0.021 . 2 . . . A 24 VAL HG21 . 11592 1 222 . 1 1 24 24 VAL HG22 H 1 0.689 0.021 . 2 . . . A 24 VAL HG22 . 11592 1 223 . 1 1 24 24 VAL HG23 H 1 0.689 0.021 . 2 . . . A 24 VAL HG23 . 11592 1 224 . 1 1 25 25 ASP C C 13 177.897 0.007 . 1 . . . A 25 ASP C . 11592 1 225 . 1 1 25 25 ASP CA C 13 52.034 0.103 . 1 . . . A 25 ASP CA . 11592 1 226 . 1 1 25 25 ASP CB C 13 40.068 0.093 . 1 . . . A 25 ASP CB . 11592 1 227 . 1 1 25 25 ASP H H 1 7.873 0.015 . 1 . . . A 25 ASP H . 11592 1 228 . 1 1 25 25 ASP HA H 1 4.832 0.026 . 1 . . . A 25 ASP HA . 11592 1 229 . 1 1 25 25 ASP HB2 H 1 2.797 0.012 . 2 . . . A 25 ASP HB2 . 11592 1 230 . 1 1 25 25 ASP HB3 H 1 3.108 0.032 . 2 . . . A 25 ASP HB3 . 11592 1 231 . 1 1 25 25 ASP N N 15 117.259 0.032 . 1 . . . A 25 ASP N . 11592 1 232 . 1 1 26 26 GLY C C 13 172.779 0.003 . 1 . . . A 26 GLY C . 11592 1 233 . 1 1 26 26 GLY CA C 13 45.898 0.075 . 1 . . . A 26 GLY CA . 11592 1 234 . 1 1 26 26 GLY H H 1 9.254 0.009 . 1 . . . A 26 GLY H . 11592 1 235 . 1 1 26 26 GLY HA2 H 1 3.499 0.016 . 2 . . . A 26 GLY HA2 . 11592 1 236 . 1 1 26 26 GLY HA3 H 1 3.81 0.026 . 2 . . . A 26 GLY HA3 . 11592 1 237 . 1 1 26 26 GLY N N 15 113.636 0.039 . 1 . . . A 26 GLY N . 11592 1 238 . 1 1 27 27 ASN C C 13 176.893 0 . 1 . . . A 27 ASN C . 11592 1 239 . 1 1 27 27 ASN CA C 13 51.103 0.114 . 1 . . . A 27 ASN CA . 11592 1 240 . 1 1 27 27 ASN CB C 13 39.397 0 . 1 . . . A 27 ASN CB . 11592 1 241 . 1 1 27 27 ASN H H 1 7.87 0.011 . 1 . . . A 27 ASN H . 11592 1 242 . 1 1 27 27 ASN HA H 1 4.844 0.033 . 1 . . . A 27 ASN HA . 11592 1 243 . 1 1 27 27 ASN N N 15 117.899 0.07 . 1 . . . A 27 ASN N . 11592 1 244 . 1 1 28 28 ALA C C 13 173.483 0 . 1 . . . A 28 ALA C . 11592 1 245 . 1 1 28 28 ALA CA C 13 53.721 0.069 . 1 . . . A 28 ALA CA . 11592 1 246 . 1 1 28 28 ALA CB C 13 17.579 0.157 . 1 . . . A 28 ALA CB . 11592 1 247 . 1 1 28 28 ALA HA H 1 4.042 0.015 . 1 . . . A 28 ALA HA . 11592 1 248 . 1 1 28 28 ALA HB1 H 1 1.204 0.036 . 1 . . . A 28 ALA HB1 . 11592 1 249 . 1 1 28 28 ALA HB2 H 1 1.204 0.036 . 1 . . . A 28 ALA HB2 . 11592 1 250 . 1 1 28 28 ALA HB3 H 1 1.204 0.036 . 1 . . . A 28 ALA HB3 . 11592 1 251 . 1 1 29 29 ALA C C 13 177.866 0.013 . 1 . . . A 29 ALA C . 11592 1 252 . 1 1 29 29 ALA CA C 13 51.583 0.093 . 1 . . . A 29 ALA CA . 11592 1 253 . 1 1 29 29 ALA CB C 13 18.991 0.061 . 1 . . . A 29 ALA CB . 11592 1 254 . 1 1 29 29 ALA H H 1 8.551 0.01 . 1 . . . A 29 ALA H . 11592 1 255 . 1 1 29 29 ALA HA H 1 4.294 0.028 . 1 . . . A 29 ALA HA . 11592 1 256 . 1 1 29 29 ALA N N 15 116.082 0.081 . 1 . . . A 29 ALA N . 11592 1 257 . 1 1 29 29 ALA HB1 H 1 1.35 0.033 . 1 . . . A 29 ALA HB1 . 11592 1 258 . 1 1 29 29 ALA HB2 H 1 1.35 0.033 . 1 . . . A 29 ALA HB2 . 11592 1 259 . 1 1 29 29 ALA HB3 H 1 1.35 0.033 . 1 . . . A 29 ALA HB3 . 11592 1 260 . 1 1 30 30 THR C C 13 176.193 0.019 . 1 . . . A 30 THR C . 11592 1 261 . 1 1 30 30 THR CA C 13 58.285 0.091 . 1 . . . A 30 THR CA . 11592 1 262 . 1 1 30 30 THR CB C 13 70.865 0.106 . 1 . . . A 30 THR CB . 11592 1 263 . 1 1 30 30 THR CG2 C 13 21.531 0.051 . 1 . . . A 30 THR CG2 . 11592 1 264 . 1 1 30 30 THR H H 1 7.681 0.009 . 1 . . . A 30 THR H . 11592 1 265 . 1 1 30 30 THR HA H 1 5.154 0.025 . 1 . . . A 30 THR HA . 11592 1 266 . 1 1 30 30 THR HB H 1 4.451 0.035 . 1 . . . A 30 THR HB . 11592 1 267 . 1 1 30 30 THR N N 15 109.662 0.064 . 1 . . . A 30 THR N . 11592 1 268 . 1 1 30 30 THR HG21 H 1 1.149 0.02 . 1 . . . A 30 THR HG21 . 11592 1 269 . 1 1 30 30 THR HG22 H 1 1.149 0.02 . 1 . . . A 30 THR HG22 . 11592 1 270 . 1 1 30 30 THR HG23 H 1 1.149 0.02 . 1 . . . A 30 THR HG23 . 11592 1 271 . 1 1 31 31 ARG C C 13 175.268 0.013 . 1 . . . A 31 ARG C . 11592 1 272 . 1 1 31 31 ARG CA C 13 53.792 0.205 . 1 . . . A 31 ARG CA . 11592 1 273 . 1 1 31 31 ARG CB C 13 31.863 0.158 . 1 . . . A 31 ARG CB . 11592 1 274 . 1 1 31 31 ARG H H 1 10.175 0.019 . 1 . . . A 31 ARG H . 11592 1 275 . 1 1 31 31 ARG HA H 1 5.278 0.025 . 1 . . . A 31 ARG HA . 11592 1 276 . 1 1 31 31 ARG HB2 H 1 0.881 0.007 . 2 . . . A 31 ARG HB2 . 11592 1 277 . 1 1 31 31 ARG N N 15 124.487 0.061 . 1 . . . A 31 ARG N . 11592 1 278 . 1 1 32 32 TRP C C 13 176.444 0.026 . 1 . . . A 32 TRP C . 11592 1 279 . 1 1 32 32 TRP CA C 13 55.36 0.141 . 1 . . . A 32 TRP CA . 11592 1 280 . 1 1 32 32 TRP CB C 13 30.298 0.105 . 1 . . . A 32 TRP CB . 11592 1 281 . 1 1 32 32 TRP CD1 C 13 118.337 0 . 1 . . . A 32 TRP CD1 . 11592 1 282 . 1 1 32 32 TRP CE3 C 13 127.494 0 . 1 . . . A 32 TRP CE3 . 11592 1 283 . 1 1 32 32 TRP CZ2 C 13 114.106 0 . 1 . . . A 32 TRP CZ2 . 11592 1 284 . 1 1 32 32 TRP H H 1 7.731 0.004 . 1 . . . A 32 TRP H . 11592 1 285 . 1 1 32 32 TRP HA H 1 4.721 0.025 . 1 . . . A 32 TRP HA . 11592 1 286 . 1 1 32 32 TRP HB2 H 1 3.225 0.034 . 2 . . . A 32 TRP HB2 . 11592 1 287 . 1 1 32 32 TRP HB3 H 1 2.828 0.035 . 2 . . . A 32 TRP HB3 . 11592 1 288 . 1 1 32 32 TRP HD1 H 1 7.092 0.027 . 1 . . . A 32 TRP HD1 . 11592 1 289 . 1 1 32 32 TRP HE3 H 1 7.716 0.023 . 1 . . . A 32 TRP HE3 . 11592 1 290 . 1 1 32 32 TRP HZ2 H 1 7.139 0.026 . 1 . . . A 32 TRP HZ2 . 11592 1 291 . 1 1 32 32 TRP N N 15 120.618 0.02 . 1 . . . A 32 TRP N . 11592 1 292 . 1 1 33 33 ALA C C 13 174.502 0.007 . 1 . . . A 33 ALA C . 11592 1 293 . 1 1 33 33 ALA CA C 13 51.063 0.091 . 1 . . . A 33 ALA CA . 11592 1 294 . 1 1 33 33 ALA CB C 13 21.871 0.097 . 1 . . . A 33 ALA CB . 11592 1 295 . 1 1 33 33 ALA H H 1 8.035 0.007 . 1 . . . A 33 ALA H . 11592 1 296 . 1 1 33 33 ALA HA H 1 4.17 0.015 . 1 . . . A 33 ALA HA . 11592 1 297 . 1 1 33 33 ALA N N 15 136.843 0.046 . 1 . . . A 33 ALA N . 11592 1 298 . 1 1 33 33 ALA HB1 H 1 0.924 0.022 . 1 . . . A 33 ALA HB1 . 11592 1 299 . 1 1 33 33 ALA HB2 H 1 0.924 0.022 . 1 . . . A 33 ALA HB2 . 11592 1 300 . 1 1 33 33 ALA HB3 H 1 0.924 0.022 . 1 . . . A 33 ALA HB3 . 11592 1 301 . 1 1 34 34 SER C C 13 173.075 0.019 . 1 . . . A 34 SER C . 11592 1 302 . 1 1 34 34 SER CA C 13 57.564 0.093 . 1 . . . A 34 SER CA . 11592 1 303 . 1 1 34 34 SER CB C 13 65.971 0.149 . 1 . . . A 34 SER CB . 11592 1 304 . 1 1 34 34 SER H H 1 8.197 0.008 . 1 . . . A 34 SER H . 11592 1 305 . 1 1 34 34 SER HA H 1 4.095 0.023 . 1 . . . A 34 SER HA . 11592 1 306 . 1 1 34 34 SER HB2 H 1 3.415 0.019 . 2 . . . A 34 SER HB2 . 11592 1 307 . 1 1 34 34 SER N N 15 118.699 0.049 . 1 . . . A 34 SER N . 11592 1 308 . 1 1 35 35 ALA C C 13 178.49 0 . 1 . . . A 35 ALA C . 11592 1 309 . 1 1 35 35 ALA CA C 13 52.222 0.063 . 1 . . . A 35 ALA CA . 11592 1 310 . 1 1 35 35 ALA CB C 13 18.482 0.056 . 1 . . . A 35 ALA CB . 11592 1 311 . 1 1 35 35 ALA H H 1 8.484 0.014 . 1 . . . A 35 ALA H . 11592 1 312 . 1 1 35 35 ALA HA H 1 4.014 0.03 . 1 . . . A 35 ALA HA . 11592 1 313 . 1 1 35 35 ALA N N 15 118.18 0.062 . 1 . . . A 35 ALA N . 11592 1 314 . 1 1 35 35 ALA HB1 H 1 1.293 0.027 . 1 . . . A 35 ALA HB1 . 11592 1 315 . 1 1 35 35 ALA HB2 H 1 1.293 0.027 . 1 . . . A 35 ALA HB2 . 11592 1 316 . 1 1 35 35 ALA HB3 H 1 1.293 0.027 . 1 . . . A 35 ALA HB3 . 11592 1 317 . 1 1 36 36 TYR C C 13 177.127 0.032 . 1 . . . A 36 TYR C . 11592 1 318 . 1 1 36 36 TYR CA C 13 54.721 0.104 . 1 . . . A 36 TYR CA . 11592 1 319 . 1 1 36 36 TYR CB C 13 36.973 0.165 . 1 . . . A 36 TYR CB . 11592 1 320 . 1 1 36 36 TYR CD1 C 13 130.395 0 . 1 . . . A 36 TYR CD1 . 11592 1 321 . 1 1 36 36 TYR H H 1 8.582 0.014 . 1 . . . A 36 TYR H . 11592 1 322 . 1 1 36 36 TYR HA H 1 4.243 0.023 . 1 . . . A 36 TYR HA . 11592 1 323 . 1 1 36 36 TYR HB2 H 1 3.019 0.013 . 1 . . . A 36 TYR HB2 . 11592 1 324 . 1 1 36 36 TYR HD1 H 1 6.841 0.021 . 3 . . . A 36 TYR HD1 . 11592 1 325 . 1 1 36 36 TYR HD2 H 1 6.752 0 . 3 . . . A 36 TYR HD2 . 11592 1 326 . 1 1 36 36 TYR N N 15 120.816 0.088 . 1 . . . A 36 TYR N . 11592 1 327 . 1 1 37 37 GLY C C 13 174.128 0 . 1 . . . A 37 GLY C . 11592 1 328 . 1 1 37 37 GLY CA C 13 44.601 0.118 . 1 . . . A 37 GLY CA . 11592 1 329 . 1 1 37 37 GLY H H 1 7.304 0.009 . 1 . . . A 37 GLY H . 11592 1 330 . 1 1 37 37 GLY HA2 H 1 3.689 0.045 . 2 . . . A 37 GLY HA2 . 11592 1 331 . 1 1 37 37 GLY HA3 H 1 4.661 0.025 . 2 . . . A 37 GLY HA3 . 11592 1 332 . 1 1 37 37 GLY N N 15 105.609 0.053 . 1 . . . A 37 GLY N . 11592 1 333 . 1 1 38 38 ALA C C 13 177.938 0.007 . 1 . . . A 38 ALA C . 11592 1 334 . 1 1 38 38 ALA CA C 13 52.933 0.117 . 1 . . . A 38 ALA CA . 11592 1 335 . 1 1 38 38 ALA CB C 13 19.204 0.049 . 1 . . . A 38 ALA CB . 11592 1 336 . 1 1 38 38 ALA H H 1 8.382 0.015 . 1 . . . A 38 ALA H . 11592 1 337 . 1 1 38 38 ALA HA H 1 4.134 0.023 . 1 . . . A 38 ALA HA . 11592 1 338 . 1 1 38 38 ALA N N 15 119.979 0.049 . 1 . . . A 38 ALA N . 11592 1 339 . 1 1 38 38 ALA HB1 H 1 1.404 0.03 . 1 . . . A 38 ALA HB1 . 11592 1 340 . 1 1 38 38 ALA HB2 H 1 1.404 0.03 . 1 . . . A 38 ALA HB2 . 11592 1 341 . 1 1 38 38 ALA HB3 H 1 1.404 0.03 . 1 . . . A 38 ALA HB3 . 11592 1 342 . 1 1 39 39 SER CA C 13 57.184 0.489 . 1 . . . A 39 SER CA . 11592 1 343 . 1 1 39 39 SER CB C 13 62.088 0.375 . 1 . . . A 39 SER CB . 11592 1 344 . 1 1 39 39 SER H H 1 8.076 0.008 . 1 . . . A 39 SER H . 11592 1 345 . 1 1 39 39 SER HA H 1 4.717 0.015 . 1 . . . A 39 SER HA . 11592 1 346 . 1 1 39 39 SER HB2 H 1 3.776 0.033 . 2 . . . A 39 SER HB2 . 11592 1 347 . 1 1 39 39 SER N N 15 118.012 0.025 . 1 . . . A 39 SER N . 11592 1 348 . 1 1 40 40 PRO C C 13 176.179 0 . 1 . . . A 40 PRO C . 11592 1 349 . 1 1 40 40 PRO CA C 13 63.361 0.138 . 1 . . . A 40 PRO CA . 11592 1 350 . 1 1 40 40 PRO CB C 13 32.517 0.071 . 1 . . . A 40 PRO CB . 11592 1 351 . 1 1 40 40 PRO CD C 13 50.621 0.072 . 1 . . . A 40 PRO CD . 11592 1 352 . 1 1 40 40 PRO CG C 13 28.066 0.122 . 1 . . . A 40 PRO CG . 11592 1 353 . 1 1 40 40 PRO HA H 1 4.647 0.017 . 1 . . . A 40 PRO HA . 11592 1 354 . 1 1 40 40 PRO HB2 H 1 1.875 0.063 . 2 . . . A 40 PRO HB2 . 11592 1 355 . 1 1 40 40 PRO HB3 H 1 1.498 0.019 . 2 . . . A 40 PRO HB3 . 11592 1 356 . 1 1 40 40 PRO HD2 H 1 3.837 0.021 . 2 . . . A 40 PRO HD2 . 11592 1 357 . 1 1 40 40 PRO HD3 H 1 3.658 0.028 . 2 . . . A 40 PRO HD3 . 11592 1 358 . 1 1 40 40 PRO HG2 H 1 2.082 0.017 . 2 . . . A 40 PRO HG2 . 11592 1 359 . 1 1 40 40 PRO HG3 H 1 2.002 0.019 . 2 . . . A 40 PRO HG3 . 11592 1 360 . 1 1 41 41 GLN C C 13 172.815 0 . 1 . . . A 41 GLN C . 11592 1 361 . 1 1 41 41 GLN CA C 13 52.291 0.225 . 1 . . . A 41 GLN CA . 11592 1 362 . 1 1 41 41 GLN CB C 13 31.199 0.144 . 1 . . . A 41 GLN CB . 11592 1 363 . 1 1 41 41 GLN H H 1 8.222 0.01 . 1 . . . A 41 GLN H . 11592 1 364 . 1 1 41 41 GLN HA H 1 4.621 0.023 . 1 . . . A 41 GLN HA . 11592 1 365 . 1 1 41 41 GLN HB2 H 1 2.782 0.028 . 2 . . . A 41 GLN HB2 . 11592 1 366 . 1 1 41 41 GLN N N 15 117.026 0.052 . 1 . . . A 41 GLN N . 11592 1 367 . 1 1 42 42 TRP C C 13 173.236 0.007 . 1 . . . A 42 TRP C . 11592 1 368 . 1 1 42 42 TRP CA C 13 54.349 0.084 . 1 . . . A 42 TRP CA . 11592 1 369 . 1 1 42 42 TRP CB C 13 33.875 0.026 . 1 . . . A 42 TRP CB . 11592 1 370 . 1 1 42 42 TRP CH2 C 13 123.921 0 . 1 . . . A 42 TRP CH2 . 11592 1 371 . 1 1 42 42 TRP CZ2 C 13 114.667 0 . 1 . . . A 42 TRP CZ2 . 11592 1 372 . 1 1 42 42 TRP H H 1 9.151 0.008 . 1 . . . A 42 TRP H . 11592 1 373 . 1 1 42 42 TRP HA H 1 5.541 0.021 . 1 . . . A 42 TRP HA . 11592 1 374 . 1 1 42 42 TRP HB2 H 1 3.431 0.026 . 2 . . . A 42 TRP HB2 . 11592 1 375 . 1 1 42 42 TRP HB3 H 1 3.021 0.022 . 2 . . . A 42 TRP HB3 . 11592 1 376 . 1 1 42 42 TRP HE1 H 1 10.44 0.004 . 1 . . . A 42 TRP HE1 . 11592 1 377 . 1 1 42 42 TRP HH2 H 1 7.059 0.039 . 1 . . . A 42 TRP HH2 . 11592 1 378 . 1 1 42 42 TRP HZ2 H 1 7.479 0.027 . 1 . . . A 42 TRP HZ2 . 11592 1 379 . 1 1 42 42 TRP N N 15 112.597 0.031 . 1 . . . A 42 TRP N . 11592 1 380 . 1 1 42 42 TRP NE1 N 15 130.802 0 . 1 . . . A 42 TRP NE1 . 11592 1 381 . 1 1 43 43 ILE C C 13 173.836 0.007 . 1 . . . A 43 ILE C . 11592 1 382 . 1 1 43 43 ILE CA C 13 57.761 0.128 . 1 . . . A 43 ILE CA . 11592 1 383 . 1 1 43 43 ILE CB C 13 39.704 0.128 . 1 . . . A 43 ILE CB . 11592 1 384 . 1 1 43 43 ILE CD1 C 13 14.212 0.047 . 1 . . . A 43 ILE CD1 . 11592 1 385 . 1 1 43 43 ILE CG1 C 13 27.903 0.077 . 1 . . . A 43 ILE CG1 . 11592 1 386 . 1 1 43 43 ILE CG2 C 13 14.369 0.095 . 1 . . . A 43 ILE CG2 . 11592 1 387 . 1 1 43 43 ILE H H 1 7.985 0.01 . 1 . . . A 43 ILE H . 11592 1 388 . 1 1 43 43 ILE HA H 1 4.9 0.028 . 1 . . . A 43 ILE HA . 11592 1 389 . 1 1 43 43 ILE HB H 1 0.031 0.017 . 1 . . . A 43 ILE HB . 11592 1 390 . 1 1 43 43 ILE N N 15 115.026 0.054 . 1 . . . A 43 ILE N . 11592 1 391 . 1 1 43 43 ILE HD11 H 1 0.243 0.045 . 1 . . . A 43 ILE HD11 . 11592 1 392 . 1 1 43 43 ILE HD12 H 1 0.243 0.045 . 1 . . . A 43 ILE HD12 . 11592 1 393 . 1 1 43 43 ILE HD13 H 1 0.243 0.045 . 1 . . . A 43 ILE HD13 . 11592 1 394 . 1 1 43 43 ILE HG21 H 1 0.49 0.033 . 1 . . . A 43 ILE HG21 . 11592 1 395 . 1 1 43 43 ILE HG22 H 1 0.49 0.033 . 1 . . . A 43 ILE HG22 . 11592 1 396 . 1 1 43 43 ILE HG23 H 1 0.49 0.033 . 1 . . . A 43 ILE HG23 . 11592 1 397 . 1 1 44 44 TYR C C 13 172.437 0.007 . 1 . . . A 44 TYR C . 11592 1 398 . 1 1 44 44 TYR CA C 13 54.702 0.075 . 1 . . . A 44 TYR CA . 11592 1 399 . 1 1 44 44 TYR CB C 13 44.174 0.104 . 1 . . . A 44 TYR CB . 11592 1 400 . 1 1 44 44 TYR CD1 C 13 133.755 0 . 1 . . . A 44 TYR CD1 . 11592 1 401 . 1 1 44 44 TYR H H 1 9.441 0.011 . 1 . . . A 44 TYR H . 11592 1 402 . 1 1 44 44 TYR HA H 1 6.306 0.027 . 1 . . . A 44 TYR HA . 11592 1 403 . 1 1 44 44 TYR HB2 H 1 3.466 0.03 . 2 . . . A 44 TYR HB2 . 11592 1 404 . 1 1 44 44 TYR HB3 H 1 2.334 0.037 . 2 . . . A 44 TYR HB3 . 11592 1 405 . 1 1 44 44 TYR HD2 H 1 6.853 0.009 . 1 . . . A 44 TYR HD2 . 11592 1 406 . 1 1 44 44 TYR N N 15 123.45 0.048 . 1 . . . A 44 TYR N . 11592 1 407 . 1 1 45 45 ILE C C 13 175.545 0.007 . 1 . . . A 45 ILE C . 11592 1 408 . 1 1 45 45 ILE CA C 13 59.122 0.106 . 1 . . . A 45 ILE CA . 11592 1 409 . 1 1 45 45 ILE CB C 13 42.379 0.128 . 1 . . . A 45 ILE CB . 11592 1 410 . 1 1 45 45 ILE CD1 C 13 13.403 0.141 . 1 . . . A 45 ILE CD1 . 11592 1 411 . 1 1 45 45 ILE CG1 C 13 26.896 0.106 . 1 . . . A 45 ILE CG1 . 11592 1 412 . 1 1 45 45 ILE CG2 C 13 18.79 0.062 . 1 . . . A 45 ILE CG2 . 11592 1 413 . 1 1 45 45 ILE H H 1 9.038 0.008 . 1 . . . A 45 ILE H . 11592 1 414 . 1 1 45 45 ILE HA H 1 4.653 0.025 . 1 . . . A 45 ILE HA . 11592 1 415 . 1 1 45 45 ILE HB H 1 1.227 0.031 . 1 . . . A 45 ILE HB . 11592 1 416 . 1 1 45 45 ILE HG12 H 1 0.917 0.033 . 2 . . . A 45 ILE HG12 . 11592 1 417 . 1 1 45 45 ILE HG13 H 1 0.51 0.006 . 2 . . . A 45 ILE HG13 . 11592 1 418 . 1 1 45 45 ILE N N 15 118.037 0.042 . 1 . . . A 45 ILE N . 11592 1 419 . 1 1 45 45 ILE HD11 H 1 -0.381 0.03 . 1 . . . A 45 ILE HD11 . 11592 1 420 . 1 1 45 45 ILE HD12 H 1 -0.381 0.03 . 1 . . . A 45 ILE HD12 . 11592 1 421 . 1 1 45 45 ILE HD13 H 1 -0.381 0.03 . 1 . . . A 45 ILE HD13 . 11592 1 422 . 1 1 45 45 ILE HG21 H 1 0.574 0.054 . 1 . . . A 45 ILE HG21 . 11592 1 423 . 1 1 45 45 ILE HG22 H 1 0.574 0.054 . 1 . . . A 45 ILE HG22 . 11592 1 424 . 1 1 45 45 ILE HG23 H 1 0.574 0.054 . 1 . . . A 45 ILE HG23 . 11592 1 425 . 1 1 46 46 ASN C C 13 175.288 0.017 . 1 . . . A 46 ASN C . 11592 1 426 . 1 1 46 46 ASN CA C 13 51.004 0.16 . 1 . . . A 46 ASN CA . 11592 1 427 . 1 1 46 46 ASN CB C 13 38.881 0.128 . 1 . . . A 46 ASN CB . 11592 1 428 . 1 1 46 46 ASN H H 1 8.783 0.009 . 1 . . . A 46 ASN H . 11592 1 429 . 1 1 46 46 ASN HA H 1 4.893 0.017 . 1 . . . A 46 ASN HA . 11592 1 430 . 1 1 46 46 ASN HB2 H 1 3.187 0.032 . 2 . . . A 46 ASN HB2 . 11592 1 431 . 1 1 46 46 ASN HB3 H 1 2.756 0.03 . 2 . . . A 46 ASN HB3 . 11592 1 432 . 1 1 46 46 ASN HD21 H 1 6.695 0.005 . 2 . . . A 46 ASN HD21 . 11592 1 433 . 1 1 46 46 ASN HD22 H 1 7.624 0.003 . 2 . . . A 46 ASN HD22 . 11592 1 434 . 1 1 46 46 ASN N N 15 123.689 0.027 . 1 . . . A 46 ASN N . 11592 1 435 . 1 1 46 46 ASN ND2 N 15 107.357 0.011 . 1 . . . A 46 ASN ND2 . 11592 1 436 . 1 1 47 47 LEU C C 13 178.335 0.006 . 1 . . . A 47 LEU C . 11592 1 437 . 1 1 47 47 LEU CA C 13 56.471 0.113 . 1 . . . A 47 LEU CA . 11592 1 438 . 1 1 47 47 LEU CB C 13 41.276 0.163 . 1 . . . A 47 LEU CB . 11592 1 439 . 1 1 47 47 LEU CD1 C 13 22.107 0.053 . 1 . . . A 47 LEU CD1 . 11592 1 440 . 1 1 47 47 LEU CD2 C 13 25.721 0.147 . 1 . . . A 47 LEU CD2 . 11592 1 441 . 1 1 47 47 LEU H H 1 9.293 0.009 . 1 . . . A 47 LEU H . 11592 1 442 . 1 1 47 47 LEU HA H 1 3.801 0.027 . 1 . . . A 47 LEU HA . 11592 1 443 . 1 1 47 47 LEU HB2 H 1 2.05 0.016 . 2 . . . A 47 LEU HB2 . 11592 1 444 . 1 1 47 47 LEU HB3 H 1 1.468 0.02 . 2 . . . A 47 LEU HB3 . 11592 1 445 . 1 1 47 47 LEU N N 15 122.996 0.06 . 1 . . . A 47 LEU N . 11592 1 446 . 1 1 47 47 LEU HD11 H 1 0.445 0.005 . 2 . . . A 47 LEU HD11 . 11592 1 447 . 1 1 47 47 LEU HD12 H 1 0.445 0.005 . 2 . . . A 47 LEU HD12 . 11592 1 448 . 1 1 47 47 LEU HD13 H 1 0.445 0.005 . 2 . . . A 47 LEU HD13 . 11592 1 449 . 1 1 47 47 LEU HD21 H 1 0.631 0.015 . 2 . . . A 47 LEU HD21 . 11592 1 450 . 1 1 47 47 LEU HD22 H 1 0.631 0.015 . 2 . . . A 47 LEU HD22 . 11592 1 451 . 1 1 47 47 LEU HD23 H 1 0.631 0.015 . 2 . . . A 47 LEU HD23 . 11592 1 452 . 1 1 48 48 GLY C C 13 172.838 0.007 . 1 . . . A 48 GLY C . 11592 1 453 . 1 1 48 48 GLY CA C 13 45.754 0.127 . 1 . . . A 48 GLY CA . 11592 1 454 . 1 1 48 48 GLY H H 1 8.625 0.009 . 1 . . . A 48 GLY H . 11592 1 455 . 1 1 48 48 GLY HA2 H 1 3.239 0.023 . 2 . . . A 48 GLY HA2 . 11592 1 456 . 1 1 48 48 GLY HA3 H 1 4.27 0.031 . 2 . . . A 48 GLY HA3 . 11592 1 457 . 1 1 48 48 GLY N N 15 108.717 0.039 . 1 . . . A 48 GLY N . 11592 1 458 . 1 1 49 49 SER C C 13 172.259 0.026 . 1 . . . A 49 SER C . 11592 1 459 . 1 1 49 49 SER CA C 13 56.354 0.143 . 1 . . . A 49 SER CA . 11592 1 460 . 1 1 49 49 SER CB C 13 63.835 0.117 . 1 . . . A 49 SER CB . 11592 1 461 . 1 1 49 49 SER H H 1 7.459 0.008 . 1 . . . A 49 SER H . 11592 1 462 . 1 1 49 49 SER HA H 1 4.269 0.027 . 1 . . . A 49 SER HA . 11592 1 463 . 1 1 49 49 SER HB2 H 1 3.889 0.022 . 2 . . . A 49 SER HB2 . 11592 1 464 . 1 1 49 49 SER N N 15 112.267 0.033 . 1 . . . A 49 SER N . 11592 1 465 . 1 1 50 50 THR C C 13 174.014 0.007 . 1 . . . A 50 THR C . 11592 1 466 . 1 1 50 50 THR CA C 13 65.081 0.066 . 1 . . . A 50 THR CA . 11592 1 467 . 1 1 50 50 THR CB C 13 68.755 0.116 . 1 . . . A 50 THR CB . 11592 1 468 . 1 1 50 50 THR CG2 C 13 21.768 0.133 . 1 . . . A 50 THR CG2 . 11592 1 469 . 1 1 50 50 THR H H 1 8.43 0.009 . 1 . . . A 50 THR H . 11592 1 470 . 1 1 50 50 THR HA H 1 3.818 0.028 . 1 . . . A 50 THR HA . 11592 1 471 . 1 1 50 50 THR HB H 1 3.72 0.014 . 1 . . . A 50 THR HB . 11592 1 472 . 1 1 50 50 THR N N 15 116.917 0.055 . 1 . . . A 50 THR N . 11592 1 473 . 1 1 50 50 THR HG21 H 1 1.003 0.032 . 1 . . . A 50 THR HG21 . 11592 1 474 . 1 1 50 50 THR HG22 H 1 1.003 0.032 . 1 . . . A 50 THR HG22 . 11592 1 475 . 1 1 50 50 THR HG23 H 1 1.003 0.032 . 1 . . . A 50 THR HG23 . 11592 1 476 . 1 1 51 51 GLN C C 13 173.636 0 . 1 . . . A 51 GLN C . 11592 1 477 . 1 1 51 51 GLN CA C 13 53.289 0.15 . 1 . . . A 51 GLN CA . 11592 1 478 . 1 1 51 51 GLN CB C 13 32.447 0.096 . 1 . . . A 51 GLN CB . 11592 1 479 . 1 1 51 51 GLN H H 1 8.799 0.008 . 1 . . . A 51 GLN H . 11592 1 480 . 1 1 51 51 GLN HA H 1 4.528 0.038 . 1 . . . A 51 GLN HA . 11592 1 481 . 1 1 51 51 GLN HB2 H 1 2.017 0.017 . 2 . . . A 51 GLN HB2 . 11592 1 482 . 1 1 51 51 GLN HB3 H 1 2.374 0.019 . 2 . . . A 51 GLN HB3 . 11592 1 483 . 1 1 51 51 GLN N N 15 127.348 0.068 . 1 . . . A 51 GLN N . 11592 1 484 . 1 1 52 52 SER C C 13 174.839 0 . 1 . . . A 52 SER C . 11592 1 485 . 1 1 52 52 SER CA C 13 57.448 0.193 . 1 . . . A 52 SER CA . 11592 1 486 . 1 1 52 52 SER CB C 13 62.528 0.071 . 1 . . . A 52 SER CB . 11592 1 487 . 1 1 52 52 SER H H 1 8.29 0.01 . 1 . . . A 52 SER H . 11592 1 488 . 1 1 52 52 SER HA H 1 4.728 0.029 . 1 . . . A 52 SER HA . 11592 1 489 . 1 1 52 52 SER HB2 H 1 3.743 0.02 . 2 . . . A 52 SER HB2 . 11592 1 490 . 1 1 52 52 SER N N 15 115.666 0.074 . 1 . . . A 52 SER N . 11592 1 491 . 1 1 53 53 ILE C C 13 174.584 0.013 . 1 . . . A 53 ILE C . 11592 1 492 . 1 1 53 53 ILE CA C 13 59.797 0.097 . 1 . . . A 53 ILE CA . 11592 1 493 . 1 1 53 53 ILE CB C 13 42.18 0.148 . 1 . . . A 53 ILE CB . 11592 1 494 . 1 1 53 53 ILE CG1 C 13 25.467 0 . 1 . . . A 53 ILE CG1 . 11592 1 495 . 1 1 53 53 ILE CG2 C 13 18.081 0.11 . 1 . . . A 53 ILE CG2 . 11592 1 496 . 1 1 53 53 ILE H H 1 9.034 0.011 . 1 . . . A 53 ILE H . 11592 1 497 . 1 1 53 53 ILE HA H 1 5.036 0.03 . 1 . . . A 53 ILE HA . 11592 1 498 . 1 1 53 53 ILE HB H 1 1.889 0.022 . 1 . . . A 53 ILE HB . 11592 1 499 . 1 1 53 53 ILE N N 15 121.893 0.048 . 1 . . . A 53 ILE N . 11592 1 500 . 1 1 53 53 ILE HG21 H 1 0.714 0.039 . 1 . . . A 53 ILE HG21 . 11592 1 501 . 1 1 53 53 ILE HG22 H 1 0.714 0.039 . 1 . . . A 53 ILE HG22 . 11592 1 502 . 1 1 53 53 ILE HG23 H 1 0.714 0.039 . 1 . . . A 53 ILE HG23 . 11592 1 503 . 1 1 54 54 SER C C 13 170.929 0.009 . 1 . . . A 54 SER C . 11592 1 504 . 1 1 54 54 SER CA C 13 57.85 0.256 . 1 . . . A 54 SER CA . 11592 1 505 . 1 1 54 54 SER CB C 13 65.732 0.09 . 1 . . . A 54 SER CB . 11592 1 506 . 1 1 54 54 SER H H 1 8.541 0.012 . 1 . . . A 54 SER H . 11592 1 507 . 1 1 54 54 SER HA H 1 4.073 0.019 . 1 . . . A 54 SER HA . 11592 1 508 . 1 1 54 54 SER HB2 H 1 3.456 0.03 . 2 . . . A 54 SER HB2 . 11592 1 509 . 1 1 54 54 SER HB3 H 1 3.993 0.005 . 2 . . . A 54 SER HB3 . 11592 1 510 . 1 1 54 54 SER N N 15 111.947 0.005 . 1 . . . A 54 SER N . 11592 1 511 . 1 1 55 55 ARG C C 13 174.326 0.005 . 1 . . . A 55 ARG C . 11592 1 512 . 1 1 55 55 ARG CA C 13 54.378 0.03 . 1 . . . A 55 ARG CA . 11592 1 513 . 1 1 55 55 ARG CB C 13 34.484 0.056 . 1 . . . A 55 ARG CB . 11592 1 514 . 1 1 55 55 ARG CG C 13 26.906 0 . 1 . . . A 55 ARG CG . 11592 1 515 . 1 1 55 55 ARG H H 1 7.576 0.014 . 1 . . . A 55 ARG H . 11592 1 516 . 1 1 55 55 ARG HA H 1 5.217 0.016 . 1 . . . A 55 ARG HA . 11592 1 517 . 1 1 55 55 ARG HB2 H 1 1.741 0.026 . 2 . . . A 55 ARG HB2 . 11592 1 518 . 1 1 55 55 ARG HB3 H 1 1.481 0 . 2 . . . A 55 ARG HB3 . 11592 1 519 . 1 1 55 55 ARG HE H 1 8.516 0.004 . 1 . . . A 55 ARG HE . 11592 1 520 . 1 1 55 55 ARG N N 15 121.916 0 . 1 . . . A 55 ARG N . 11592 1 521 . 1 1 55 55 ARG NE N 15 134.819 0 . 1 . . . A 55 ARG NE . 11592 1 522 . 1 1 56 56 VAL C C 13 173.066 0.013 . 1 . . . A 56 VAL C . 11592 1 523 . 1 1 56 56 VAL CA C 13 59.56 0.148 . 1 . . . A 56 VAL CA . 11592 1 524 . 1 1 56 56 VAL CB C 13 36.932 0.029 . 1 . . . A 56 VAL CB . 11592 1 525 . 1 1 56 56 VAL CG1 C 13 22.219 0.06 . 1 . . . A 56 VAL CG1 . 11592 1 526 . 1 1 56 56 VAL H H 1 9.235 0.036 . 1 . . . A 56 VAL H . 11592 1 527 . 1 1 56 56 VAL HA H 1 5.149 0.021 . 1 . . . A 56 VAL HA . 11592 1 528 . 1 1 56 56 VAL HB H 1 1.984 0.034 . 1 . . . A 56 VAL HB . 11592 1 529 . 1 1 56 56 VAL N N 15 125.448 0.018 . 1 . . . A 56 VAL N . 11592 1 530 . 1 1 56 56 VAL HG11 H 1 1.242 0.019 . 1 . . . A 56 VAL HG11 . 11592 1 531 . 1 1 56 56 VAL HG12 H 1 1.242 0.019 . 1 . . . A 56 VAL HG12 . 11592 1 532 . 1 1 56 56 VAL HG13 H 1 1.242 0.019 . 1 . . . A 56 VAL HG13 . 11592 1 533 . 1 1 57 57 LYS C C 13 174.324 0.007 . 1 . . . A 57 LYS C . 11592 1 534 . 1 1 57 57 LYS CA C 13 54.546 0.078 . 1 . . . A 57 LYS CA . 11592 1 535 . 1 1 57 57 LYS CB C 13 35.958 0.156 . 1 . . . A 57 LYS CB . 11592 1 536 . 1 1 57 57 LYS H H 1 8.801 0.009 . 1 . . . A 57 LYS H . 11592 1 537 . 1 1 57 57 LYS HA H 1 5.404 0.023 . 1 . . . A 57 LYS HA . 11592 1 538 . 1 1 57 57 LYS HB2 H 1 1.9 0.004 . 2 . . . A 57 LYS HB2 . 11592 1 539 . 1 1 57 57 LYS HB3 H 1 1.62 0.019 . 2 . . . A 57 LYS HB3 . 11592 1 540 . 1 1 57 57 LYS N N 15 126.019 0.048 . 1 . . . A 57 LYS N . 11592 1 541 . 1 1 58 58 LEU C C 13 174.265 0 . 1 . . . A 58 LEU C . 11592 1 542 . 1 1 58 58 LEU CA C 13 52.472 0.184 . 1 . . . A 58 LEU CA . 11592 1 543 . 1 1 58 58 LEU CB C 13 42.425 0.098 . 1 . . . A 58 LEU CB . 11592 1 544 . 1 1 58 58 LEU CD1 C 13 25.834 0.091 . 2 . . . A 58 LEU CD1 . 11592 1 545 . 1 1 58 58 LEU CD2 C 13 23.38 0.077 . 2 . . . A 58 LEU CD2 . 11592 1 546 . 1 1 58 58 LEU H H 1 9.236 0.011 . 1 . . . A 58 LEU H . 11592 1 547 . 1 1 58 58 LEU HA H 1 4.638 0.027 . 1 . . . A 58 LEU HA . 11592 1 548 . 1 1 58 58 LEU HB2 H 1 1.547 0.03 . 2 . . . A 58 LEU HB2 . 11592 1 549 . 1 1 58 58 LEU HB3 H 1 0.301 0.031 . 2 . . . A 58 LEU HB3 . 11592 1 550 . 1 1 58 58 LEU N N 15 126.375 0.07 . 1 . . . A 58 LEU N . 11592 1 551 . 1 1 58 58 LEU HD11 H 1 0.548 0.038 . 2 . . . A 58 LEU HD11 . 11592 1 552 . 1 1 58 58 LEU HD12 H 1 0.548 0.038 . 2 . . . A 58 LEU HD12 . 11592 1 553 . 1 1 58 58 LEU HD13 H 1 0.548 0.038 . 2 . . . A 58 LEU HD13 . 11592 1 554 . 1 1 58 58 LEU HD21 H 1 0.071 0.046 . 2 . . . A 58 LEU HD21 . 11592 1 555 . 1 1 58 58 LEU HD22 H 1 0.071 0.046 . 2 . . . A 58 LEU HD22 . 11592 1 556 . 1 1 58 58 LEU HD23 H 1 0.071 0.046 . 2 . . . A 58 LEU HD23 . 11592 1 557 . 1 1 59 59 ASN C C 13 174.793 0.013 . 1 . . . A 59 ASN C . 11592 1 558 . 1 1 59 59 ASN CA C 13 51.132 0.075 . 1 . . . A 59 ASN CA . 11592 1 559 . 1 1 59 59 ASN CB C 13 38.671 0.468 . 1 . . . A 59 ASN CB . 11592 1 560 . 1 1 59 59 ASN H H 1 8.183 0.018 . 1 . . . A 59 ASN H . 11592 1 561 . 1 1 59 59 ASN HA H 1 5.062 0.02 . 1 . . . A 59 ASN HA . 11592 1 562 . 1 1 59 59 ASN HB2 H 1 3.034 0.03 . 2 . . . A 59 ASN HB2 . 11592 1 563 . 1 1 59 59 ASN HB3 H 1 2.575 0.032 . 2 . . . A 59 ASN HB3 . 11592 1 564 . 1 1 59 59 ASN HD21 H 1 6.607 0.01 . 2 . . . A 59 ASN HD21 . 11592 1 565 . 1 1 59 59 ASN HD22 H 1 7.221 0.002 . 2 . . . A 59 ASN HD22 . 11592 1 566 . 1 1 59 59 ASN N N 15 121.133 0.063 . 1 . . . A 59 ASN N . 11592 1 567 . 1 1 59 59 ASN ND2 N 15 106.119 0.006 . 1 . . . A 59 ASN ND2 . 11592 1 568 . 1 1 60 60 TRP C C 13 176.603 0 . 1 . . . A 60 TRP C . 11592 1 569 . 1 1 60 60 TRP CA C 13 58.286 0.155 . 1 . . . A 60 TRP CA . 11592 1 570 . 1 1 60 60 TRP CB C 13 31.121 0.047 . 1 . . . A 60 TRP CB . 11592 1 571 . 1 1 60 60 TRP CE3 C 13 122.63 0 . 1 . . . A 60 TRP CE3 . 11592 1 572 . 1 1 60 60 TRP CZ3 C 13 122.989 0 . 1 . . . A 60 TRP CZ3 . 11592 1 573 . 1 1 60 60 TRP H H 1 9.041 0.012 . 1 . . . A 60 TRP H . 11592 1 574 . 1 1 60 60 TRP HA H 1 4.75 0.012 . 1 . . . A 60 TRP HA . 11592 1 575 . 1 1 60 60 TRP HB2 H 1 3.901 0.032 . 2 . . . A 60 TRP HB2 . 11592 1 576 . 1 1 60 60 TRP HB3 H 1 3.477 0.024 . 2 . . . A 60 TRP HB3 . 11592 1 577 . 1 1 60 60 TRP HE1 H 1 10.255 0.008 . 1 . . . A 60 TRP HE1 . 11592 1 578 . 1 1 60 60 TRP HE3 H 1 8.245 0.007 . 1 . . . A 60 TRP HE3 . 11592 1 579 . 1 1 60 60 TRP HZ3 H 1 6.434 0.027 . 1 . . . A 60 TRP HZ3 . 11592 1 580 . 1 1 60 60 TRP N N 15 124.346 0.05 . 1 . . . A 60 TRP N . 11592 1 581 . 1 1 60 60 TRP NE1 N 15 129.01 0 . 1 . . . A 60 TRP NE1 . 11592 1 582 . 1 1 61 61 GLU C C 13 176.193 0 . 1 . . . A 61 GLU C . 11592 1 583 . 1 1 61 61 GLU CA C 13 56.105 0.134 . 1 . . . A 61 GLU CA . 11592 1 584 . 1 1 61 61 GLU CB C 13 27.763 0.037 . 1 . . . A 61 GLU CB . 11592 1 585 . 1 1 61 61 GLU H H 1 7.774 0.013 . 1 . . . A 61 GLU H . 11592 1 586 . 1 1 61 61 GLU HA H 1 4.703 0.028 . 1 . . . A 61 GLU HA . 11592 1 587 . 1 1 61 61 GLU HB2 H 1 1.839 0.029 . 2 . . . A 61 GLU HB2 . 11592 1 588 . 1 1 61 61 GLU HB3 H 1 0.35 0.029 . 2 . . . A 61 GLU HB3 . 11592 1 589 . 1 1 61 61 GLU N N 15 122.251 0.035 . 1 . . . A 61 GLU N . 11592 1 590 . 1 1 62 62 ASP C C 13 176.471 0.034 . 1 . . . A 62 ASP C . 11592 1 591 . 1 1 62 62 ASP CA C 13 57.826 0.173 . 1 . . . A 62 ASP CA . 11592 1 592 . 1 1 62 62 ASP CB C 13 39.803 0.129 . 1 . . . A 62 ASP CB . 11592 1 593 . 1 1 62 62 ASP H H 1 7.16 0.008 . 1 . . . A 62 ASP H . 11592 1 594 . 1 1 62 62 ASP HA H 1 4.3 0.026 . 1 . . . A 62 ASP HA . 11592 1 595 . 1 1 62 62 ASP HB2 H 1 2.535 0.023 . 1 . . . A 62 ASP HB2 . 11592 1 596 . 1 1 62 62 ASP N N 15 118.453 0 . 1 . . . A 62 ASP N . 11592 1 597 . 1 1 63 63 ALA C C 13 174.47 0.019 . 1 . . . A 63 ALA C . 11592 1 598 . 1 1 63 63 ALA CA C 13 50.5 0.12 . 1 . . . A 63 ALA CA . 11592 1 599 . 1 1 63 63 ALA CB C 13 16.062 0.126 . 1 . . . A 63 ALA CB . 11592 1 600 . 1 1 63 63 ALA H H 1 8.42 0.007 . 1 . . . A 63 ALA H . 11592 1 601 . 1 1 63 63 ALA HA H 1 4.449 0.025 . 1 . . . A 63 ALA HA . 11592 1 602 . 1 1 63 63 ALA N N 15 121.653 0.041 . 1 . . . A 63 ALA N . 11592 1 603 . 1 1 63 63 ALA HB1 H 1 0.995 0.024 . 1 . . . A 63 ALA HB1 . 11592 1 604 . 1 1 63 63 ALA HB2 H 1 0.995 0.024 . 1 . . . A 63 ALA HB2 . 11592 1 605 . 1 1 63 63 ALA HB3 H 1 0.995 0.024 . 1 . . . A 63 ALA HB3 . 11592 1 606 . 1 1 64 64 TYR C C 13 174.689 0 . 1 . . . A 64 TYR C . 11592 1 607 . 1 1 64 64 TYR CA C 13 54.852 0 . 1 . . . A 64 TYR CA . 11592 1 608 . 1 1 64 64 TYR CB C 13 39.244 0 . 1 . . . A 64 TYR CB . 11592 1 609 . 1 1 64 64 TYR CD1 C 13 133.483 0 . 1 . . . A 64 TYR CD1 . 11592 1 610 . 1 1 64 64 TYR H H 1 7.298 0.007 . 1 . . . A 64 TYR H . 11592 1 611 . 1 1 64 64 TYR HD2 H 1 6.061 0.023 . 1 . . . A 64 TYR HD2 . 11592 1 612 . 1 1 64 64 TYR N N 15 117.859 0.079 . 1 . . . A 64 TYR N . 11592 1 613 . 1 1 65 65 ALA C C 13 175.887 0 . 1 . . . A 65 ALA C . 11592 1 614 . 1 1 65 65 ALA CA C 13 49.892 0.134 . 1 . . . A 65 ALA CA . 11592 1 615 . 1 1 65 65 ALA CB C 13 21.687 0.091 . 1 . . . A 65 ALA CB . 11592 1 616 . 1 1 65 65 ALA HA H 1 4.985 0.032 . 1 . . . A 65 ALA HA . 11592 1 617 . 1 1 65 65 ALA HB1 H 1 1.383 0.034 . 1 . . . A 65 ALA HB1 . 11592 1 618 . 1 1 65 65 ALA HB2 H 1 1.383 0.034 . 1 . . . A 65 ALA HB2 . 11592 1 619 . 1 1 65 65 ALA HB3 H 1 1.383 0.034 . 1 . . . A 65 ALA HB3 . 11592 1 620 . 1 1 66 66 THR C C 13 174.693 0.006 . 1 . . . A 66 THR C . 11592 1 621 . 1 1 66 66 THR CA C 13 62.223 0.305 . 1 . . . A 66 THR CA . 11592 1 622 . 1 1 66 66 THR CB C 13 68.19 0.15 . 1 . . . A 66 THR CB . 11592 1 623 . 1 1 66 66 THR CG2 C 13 21.513 0.207 . 1 . . . A 66 THR CG2 . 11592 1 624 . 1 1 66 66 THR H H 1 8.045 0.019 . 1 . . . A 66 THR H . 11592 1 625 . 1 1 66 66 THR HA H 1 4.347 0.029 . 1 . . . A 66 THR HA . 11592 1 626 . 1 1 66 66 THR HB H 1 4.062 0.018 . 1 . . . A 66 THR HB . 11592 1 627 . 1 1 66 66 THR N N 15 114.102 0.025 . 1 . . . A 66 THR N . 11592 1 628 . 1 1 66 66 THR HG21 H 1 1.044 0.036 . 1 . . . A 66 THR HG21 . 11592 1 629 . 1 1 66 66 THR HG22 H 1 1.044 0.036 . 1 . . . A 66 THR HG22 . 11592 1 630 . 1 1 66 66 THR HG23 H 1 1.044 0.036 . 1 . . . A 66 THR HG23 . 11592 1 631 . 1 1 67 67 ALA C C 13 175.735 0.025 . 1 . . . A 67 ALA C . 11592 1 632 . 1 1 67 67 ALA CA C 13 50.738 0.063 . 1 . . . A 67 ALA CA . 11592 1 633 . 1 1 67 67 ALA CB C 13 21.596 0.039 . 1 . . . A 67 ALA CB . 11592 1 634 . 1 1 67 67 ALA H H 1 7.354 0.009 . 1 . . . A 67 ALA H . 11592 1 635 . 1 1 67 67 ALA HA H 1 5.484 0.018 . 1 . . . A 67 ALA HA . 11592 1 636 . 1 1 67 67 ALA N N 15 121.103 0.057 . 1 . . . A 67 ALA N . 11592 1 637 . 1 1 67 67 ALA HB1 H 1 1.414 0.018 . 1 . . . A 67 ALA HB1 . 11592 1 638 . 1 1 67 67 ALA HB2 H 1 1.414 0.018 . 1 . . . A 67 ALA HB2 . 11592 1 639 . 1 1 67 67 ALA HB3 H 1 1.414 0.018 . 1 . . . A 67 ALA HB3 . 11592 1 640 . 1 1 68 68 TYR C C 13 172.387 0.013 . 1 . . . A 68 TYR C . 11592 1 641 . 1 1 68 68 TYR CA C 13 56.574 0.059 . 1 . . . A 68 TYR CA . 11592 1 642 . 1 1 68 68 TYR CB C 13 39.492 0.073 . 1 . . . A 68 TYR CB . 11592 1 643 . 1 1 68 68 TYR CD2 C 13 129.61 0 . 1 . . . A 68 TYR CD2 . 11592 1 644 . 1 1 68 68 TYR CE1 C 13 113.979 0 . 1 . . . A 68 TYR CE1 . 11592 1 645 . 1 1 68 68 TYR H H 1 7.869 0.009 . 1 . . . A 68 TYR H . 11592 1 646 . 1 1 68 68 TYR HA H 1 5.514 0.021 . 1 . . . A 68 TYR HA . 11592 1 647 . 1 1 68 68 TYR HB2 H 1 3.196 0.035 . 2 . . . A 68 TYR HB2 . 11592 1 648 . 1 1 68 68 TYR HB3 H 1 2.928 0.031 . 2 . . . A 68 TYR HB3 . 11592 1 649 . 1 1 68 68 TYR HD1 H 1 6.896 0.028 . 3 . . . A 68 TYR HD1 . 11592 1 650 . 1 1 68 68 TYR HD2 H 1 7.167 0.031 . 3 . . . A 68 TYR HD2 . 11592 1 651 . 1 1 68 68 TYR N N 15 116.927 0.054 . 1 . . . A 68 TYR N . 11592 1 652 . 1 1 68 68 TYR HE1 H 1 5.966 0.022 . 1 . . . A 68 TYR HE1 . 11592 1 653 . 1 1 68 68 TYR HE2 H 1 5.966 0.022 . 1 . . . A 68 TYR HE2 . 11592 1 654 . 1 1 69 69 SER C C 13 173.239 0.019 . 1 . . . A 69 SER C . 11592 1 655 . 1 1 69 69 SER CA C 13 56.579 0.09 . 1 . . . A 69 SER CA . 11592 1 656 . 1 1 69 69 SER CB C 13 66.725 0.06 . 1 . . . A 69 SER CB . 11592 1 657 . 1 1 69 69 SER H H 1 9.403 0.006 . 1 . . . A 69 SER H . 11592 1 658 . 1 1 69 69 SER HA H 1 5.443 0.024 . 1 . . . A 69 SER HA . 11592 1 659 . 1 1 69 69 SER HB2 H 1 3.905 0.009 . 2 . . . A 69 SER HB2 . 11592 1 660 . 1 1 69 69 SER HB3 H 1 3.772 0.005 . 2 . . . A 69 SER HB3 . 11592 1 661 . 1 1 69 69 SER N N 15 112.355 0.056 . 1 . . . A 69 SER N . 11592 1 662 . 1 1 70 70 ILE C C 13 175.732 0.006 . 1 . . . A 70 ILE C . 11592 1 663 . 1 1 70 70 ILE CA C 13 58.81 0.16 . 1 . . . A 70 ILE CA . 11592 1 664 . 1 1 70 70 ILE CB C 13 37.757 0.109 . 1 . . . A 70 ILE CB . 11592 1 665 . 1 1 70 70 ILE CD1 C 13 12.324 0.097 . 1 . . . A 70 ILE CD1 . 11592 1 666 . 1 1 70 70 ILE CG1 C 13 27.494 0.146 . 1 . . . A 70 ILE CG1 . 11592 1 667 . 1 1 70 70 ILE CG2 C 13 16.887 0.11 . 1 . . . A 70 ILE CG2 . 11592 1 668 . 1 1 70 70 ILE H H 1 9.35 0.01 . 1 . . . A 70 ILE H . 11592 1 669 . 1 1 70 70 ILE HA H 1 5.308 0.026 . 1 . . . A 70 ILE HA . 11592 1 670 . 1 1 70 70 ILE HB H 1 1.897 0.018 . 1 . . . A 70 ILE HB . 11592 1 671 . 1 1 70 70 ILE HG12 H 1 1.704 0.01 . 1 . . . A 70 ILE HG12 . 11592 1 672 . 1 1 70 70 ILE HG13 H 1 1.581 0.003 . 1 . . . A 70 ILE HG13 . 11592 1 673 . 1 1 70 70 ILE N N 15 121.774 0.048 . 1 . . . A 70 ILE N . 11592 1 674 . 1 1 70 70 ILE HD11 H 1 0.978 0.043 . 1 . . . A 70 ILE HD11 . 11592 1 675 . 1 1 70 70 ILE HD12 H 1 0.978 0.043 . 1 . . . A 70 ILE HD12 . 11592 1 676 . 1 1 70 70 ILE HD13 H 1 0.978 0.043 . 1 . . . A 70 ILE HD13 . 11592 1 677 . 1 1 70 70 ILE HG21 H 1 0.752 0.025 . 1 . . . A 70 ILE HG21 . 11592 1 678 . 1 1 70 70 ILE HG22 H 1 0.752 0.025 . 1 . . . A 70 ILE HG22 . 11592 1 679 . 1 1 70 70 ILE HG23 H 1 0.752 0.025 . 1 . . . A 70 ILE HG23 . 11592 1 680 . 1 1 71 71 GLN C C 13 174.538 0 . 1 . . . A 71 GLN C . 11592 1 681 . 1 1 71 71 GLN CA C 13 52.599 0.071 . 1 . . . A 71 GLN CA . 11592 1 682 . 1 1 71 71 GLN CB C 13 34.498 0.055 . 1 . . . A 71 GLN CB . 11592 1 683 . 1 1 71 71 GLN H H 1 9.492 0.01 . 1 . . . A 71 GLN H . 11592 1 684 . 1 1 71 71 GLN HA H 1 5.661 0.027 . 1 . . . A 71 GLN HA . 11592 1 685 . 1 1 71 71 GLN HB2 H 1 1.937 0.04 . 2 . . . A 71 GLN HB2 . 11592 1 686 . 1 1 71 71 GLN HB3 H 1 1.653 0.032 . 2 . . . A 71 GLN HB3 . 11592 1 687 . 1 1 71 71 GLN N N 15 125.576 0.063 . 1 . . . A 71 GLN N . 11592 1 688 . 1 1 72 72 VAL C C 13 175.131 0.013 . 1 . . . A 72 VAL C . 11592 1 689 . 1 1 72 72 VAL CA C 13 58.412 0.077 . 1 . . . A 72 VAL CA . 11592 1 690 . 1 1 72 72 VAL CB C 13 35.972 0.203 . 1 . . . A 72 VAL CB . 11592 1 691 . 1 1 72 72 VAL CG1 C 13 18.066 0.082 . 2 . . . A 72 VAL CG1 . 11592 1 692 . 1 1 72 72 VAL CG2 C 13 21.969 0.312 . 2 . . . A 72 VAL CG2 . 11592 1 693 . 1 1 72 72 VAL H H 1 9.46 0.008 . 1 . . . A 72 VAL H . 11592 1 694 . 1 1 72 72 VAL HA H 1 5.863 0.026 . 1 . . . A 72 VAL HA . 11592 1 695 . 1 1 72 72 VAL HB H 1 2.345 0.025 . 1 . . . A 72 VAL HB . 11592 1 696 . 1 1 72 72 VAL N N 15 112.335 0.045 . 1 . . . A 72 VAL N . 11592 1 697 . 1 1 72 72 VAL HG21 H 1 0.875 0.026 . 1 . . . A 72 VAL HG21 . 11592 1 698 . 1 1 72 72 VAL HG22 H 1 0.875 0.026 . 1 . . . A 72 VAL HG22 . 11592 1 699 . 1 1 72 72 VAL HG23 H 1 0.875 0.026 . 1 . . . A 72 VAL HG23 . 11592 1 700 . 1 1 73 73 SER C C 13 174.921 0 . 1 . . . A 73 SER C . 11592 1 701 . 1 1 73 73 SER CA C 13 56.488 0.091 . 1 . . . A 73 SER CA . 11592 1 702 . 1 1 73 73 SER CB C 13 64.909 0.036 . 1 . . . A 73 SER CB . 11592 1 703 . 1 1 73 73 SER H H 1 8.491 0.007 . 1 . . . A 73 SER H . 11592 1 704 . 1 1 73 73 SER HA H 1 4.649 0.064 . 1 . . . A 73 SER HA . 11592 1 705 . 1 1 73 73 SER HB2 H 1 2.598 0.012 . 2 . . . A 73 SER HB2 . 11592 1 706 . 1 1 73 73 SER HB3 H 1 2.435 0.011 . 2 . . . A 73 SER HB3 . 11592 1 707 . 1 1 73 73 SER N N 15 113.704 0.051 . 1 . . . A 73 SER N . 11592 1 708 . 1 1 74 74 ASN C C 13 173.63 0 . 1 . . . A 74 ASN C . 11592 1 709 . 1 1 74 74 ASN CA C 13 52.572 0.125 . 1 . . . A 74 ASN CA . 11592 1 710 . 1 1 74 74 ASN CB C 13 39.61 0.143 . 1 . . . A 74 ASN CB . 11592 1 711 . 1 1 74 74 ASN H H 1 9.429 0.02 . 1 . . . A 74 ASN H . 11592 1 712 . 1 1 74 74 ASN HA H 1 5.082 0.035 . 1 . . . A 74 ASN HA . 11592 1 713 . 1 1 74 74 ASN HB2 H 1 2.82 0.024 . 2 . . . A 74 ASN HB2 . 11592 1 714 . 1 1 74 74 ASN HD21 H 1 6.524 0.004 . 2 . . . A 74 ASN HD21 . 11592 1 715 . 1 1 74 74 ASN HD22 H 1 6.84 0.007 . 2 . . . A 74 ASN HD22 . 11592 1 716 . 1 1 74 74 ASN N N 15 129.714 0.042 . 1 . . . A 74 ASN N . 11592 1 717 . 1 1 74 74 ASN ND2 N 15 111.492 0.018 . 1 . . . A 74 ASN ND2 . 11592 1 718 . 1 1 75 75 ASP C C 13 175.368 0.026 . 1 . . . A 75 ASP C . 11592 1 719 . 1 1 75 75 ASP CA C 13 55.68 0.114 . 1 . . . A 75 ASP CA . 11592 1 720 . 1 1 75 75 ASP CB C 13 41.347 0.162 . 1 . . . A 75 ASP CB . 11592 1 721 . 1 1 75 75 ASP H H 1 7.745 0.007 . 1 . . . A 75 ASP H . 11592 1 722 . 1 1 75 75 ASP HA H 1 4.279 0.024 . 1 . . . A 75 ASP HA . 11592 1 723 . 1 1 75 75 ASP HB2 H 1 2.73 0.017 . 2 . . . A 75 ASP HB2 . 11592 1 724 . 1 1 75 75 ASP HB3 H 1 1.922 0.026 . 2 . . . A 75 ASP HB3 . 11592 1 725 . 1 1 75 75 ASP N N 15 121.176 0.045 . 1 . . . A 75 ASP N . 11592 1 726 . 1 1 76 76 SER C C 13 175.254 0.065 . 1 . . . A 76 SER C . 11592 1 727 . 1 1 76 76 SER CA C 13 58.557 0.162 . 1 . . . A 76 SER CA . 11592 1 728 . 1 1 76 76 SER CB C 13 63.837 0.11 . 1 . . . A 76 SER CB . 11592 1 729 . 1 1 76 76 SER H H 1 8.28 0.008 . 1 . . . A 76 SER H . 11592 1 730 . 1 1 76 76 SER HA H 1 4.231 0.018 . 1 . . . A 76 SER HA . 11592 1 731 . 1 1 76 76 SER HB2 H 1 3.82 0.029 . 2 . . . A 76 SER HB2 . 11592 1 732 . 1 1 76 76 SER N N 15 113.755 0.063 . 1 . . . A 76 SER N . 11592 1 733 . 1 1 77 77 GLY C C 13 173.786 0 . 1 . . . A 77 GLY C . 11592 1 734 . 1 1 77 77 GLY CA C 13 44.534 0.061 . 1 . . . A 77 GLY CA . 11592 1 735 . 1 1 77 77 GLY H H 1 8.167 0.009 . 1 . . . A 77 GLY H . 11592 1 736 . 1 1 77 77 GLY HA3 H 1 4.008 0.008 . 1 . . . A 77 GLY HA3 . 11592 1 737 . 1 1 77 77 GLY N N 15 109.596 0.059 . 1 . . . A 77 GLY N . 11592 1 738 . 1 1 78 78 SER C C 13 174.265 0 . 1 . . . A 78 SER C . 11592 1 739 . 1 1 78 78 SER CA C 13 59.69 0.174 . 1 . . . A 78 SER CA . 11592 1 740 . 1 1 78 78 SER CB C 13 63.908 0.051 . 1 . . . A 78 SER CB . 11592 1 741 . 1 1 78 78 SER H H 1 8.447 0.009 . 1 . . . A 78 SER H . 11592 1 742 . 1 1 78 78 SER HA H 1 4.476 0.035 . 1 . . . A 78 SER HA . 11592 1 743 . 1 1 78 78 SER HB2 H 1 3.92 0.034 . 2 . . . A 78 SER HB2 . 11592 1 744 . 1 1 78 78 SER N N 15 112.704 0.033 . 1 . . . A 78 SER N . 11592 1 745 . 1 1 79 79 THR C C 13 171.174 0 . 1 . . . A 79 THR C . 11592 1 746 . 1 1 79 79 THR CA C 13 58.202 0.147 . 1 . . . A 79 THR CA . 11592 1 747 . 1 1 79 79 THR CB C 13 70.365 0.077 . 1 . . . A 79 THR CB . 11592 1 748 . 1 1 79 79 THR CG2 C 13 21.565 0.157 . 1 . . . A 79 THR CG2 . 11592 1 749 . 1 1 79 79 THR H H 1 7.759 0.01 . 1 . . . A 79 THR H . 11592 1 750 . 1 1 79 79 THR HA H 1 4.502 0.036 . 1 . . . A 79 THR HA . 11592 1 751 . 1 1 79 79 THR N N 15 114.775 0.051 . 1 . . . A 79 THR N . 11592 1 752 . 1 1 79 79 THR HG21 H 1 1.003 0.026 . 1 . . . A 79 THR HG21 . 11592 1 753 . 1 1 79 79 THR HG22 H 1 1.003 0.026 . 1 . . . A 79 THR HG22 . 11592 1 754 . 1 1 79 79 THR HG23 H 1 1.003 0.026 . 1 . . . A 79 THR HG23 . 11592 1 755 . 1 1 80 80 PRO C C 13 175.687 0 . 1 . . . A 80 PRO C . 11592 1 756 . 1 1 80 80 PRO CA C 13 61.525 0.075 . 1 . . . A 80 PRO CA . 11592 1 757 . 1 1 80 80 PRO CB C 13 31.199 0.029 . 1 . . . A 80 PRO CB . 11592 1 758 . 1 1 80 80 PRO CD C 13 49.833 0.062 . 1 . . . A 80 PRO CD . 11592 1 759 . 1 1 80 80 PRO CG C 13 26.637 0.184 . 1 . . . A 80 PRO CG . 11592 1 760 . 1 1 80 80 PRO HA H 1 3.612 0.026 . 1 . . . A 80 PRO HA . 11592 1 761 . 1 1 80 80 PRO HB2 H 1 -0.009 0.021 . 2 . . . A 80 PRO HB2 . 11592 1 762 . 1 1 80 80 PRO HB3 H 1 -0.145 0.035 . 2 . . . A 80 PRO HB3 . 11592 1 763 . 1 1 80 80 PRO HD2 H 1 3.214 0.023 . 2 . . . A 80 PRO HD2 . 11592 1 764 . 1 1 80 80 PRO HD3 H 1 2.134 0.032 . 2 . . . A 80 PRO HD3 . 11592 1 765 . 1 1 80 80 PRO HG2 H 1 -0.088 0.51 . 1 . . . A 80 PRO HG2 . 11592 1 766 . 1 1 81 81 THR C C 13 172.779 0.007 . 1 . . . A 81 THR C . 11592 1 767 . 1 1 81 81 THR CA C 13 62.42 0.029 . 1 . . . A 81 THR CA . 11592 1 768 . 1 1 81 81 THR CB C 13 70.689 0.096 . 1 . . . A 81 THR CB . 11592 1 769 . 1 1 81 81 THR CG2 C 13 21.362 0.283 . 1 . . . A 81 THR CG2 . 11592 1 770 . 1 1 81 81 THR H H 1 8.547 0.008 . 1 . . . A 81 THR H . 11592 1 771 . 1 1 81 81 THR HA H 1 3.937 0.013 . 1 . . . A 81 THR HA . 11592 1 772 . 1 1 81 81 THR HB H 1 3.747 0.028 . 1 . . . A 81 THR HB . 11592 1 773 . 1 1 81 81 THR N N 15 113.755 0.051 . 1 . . . A 81 THR N . 11592 1 774 . 1 1 81 81 THR HG21 H 1 0.863 0.029 . 1 . . . A 81 THR HG21 . 11592 1 775 . 1 1 81 81 THR HG22 H 1 0.863 0.029 . 1 . . . A 81 THR HG22 . 11592 1 776 . 1 1 81 81 THR HG23 H 1 0.863 0.029 . 1 . . . A 81 THR HG23 . 11592 1 777 . 1 1 82 82 ASN C C 13 173.321 0.019 . 1 . . . A 82 ASN C . 11592 1 778 . 1 1 82 82 ASN CA C 13 53.087 0.141 . 1 . . . A 82 ASN CA . 11592 1 779 . 1 1 82 82 ASN CB C 13 39.365 0.101 . 1 . . . A 82 ASN CB . 11592 1 780 . 1 1 82 82 ASN H H 1 9.105 0.006 . 1 . . . A 82 ASN H . 11592 1 781 . 1 1 82 82 ASN HA H 1 4.608 0.025 . 1 . . . A 82 ASN HA . 11592 1 782 . 1 1 82 82 ASN HB2 H 1 2.876 0.03 . 2 . . . A 82 ASN HB2 . 11592 1 783 . 1 1 82 82 ASN HB3 H 1 2.367 0.042 . 2 . . . A 82 ASN HB3 . 11592 1 784 . 1 1 82 82 ASN HD21 H 1 8.305 0.007 . 2 . . . A 82 ASN HD21 . 11592 1 785 . 1 1 82 82 ASN HD22 H 1 6.815 0.01 . 2 . . . A 82 ASN HD22 . 11592 1 786 . 1 1 82 82 ASN N N 15 123.502 0.059 . 1 . . . A 82 ASN N . 11592 1 787 . 1 1 82 82 ASN ND2 N 15 118.082 0.002 . 1 . . . A 82 ASN ND2 . 11592 1 788 . 1 1 83 83 TRP C C 13 176.411 0 . 1 . . . A 83 TRP C . 11592 1 789 . 1 1 83 83 TRP CA C 13 55.205 0.144 . 1 . . . A 83 TRP CA . 11592 1 790 . 1 1 83 83 TRP CB C 13 32.536 0.096 . 1 . . . A 83 TRP CB . 11592 1 791 . 1 1 83 83 TRP H H 1 8.421 0.01 . 1 . . . A 83 TRP H . 11592 1 792 . 1 1 83 83 TRP HA H 1 4.906 0.021 . 1 . . . A 83 TRP HA . 11592 1 793 . 1 1 83 83 TRP HB2 H 1 2.609 0.018 . 2 . . . A 83 TRP HB2 . 11592 1 794 . 1 1 83 83 TRP HE1 H 1 9.281 0.013 . 1 . . . A 83 TRP HE1 . 11592 1 795 . 1 1 83 83 TRP N N 15 123.505 0.058 . 1 . . . A 83 TRP N . 11592 1 796 . 1 1 83 83 TRP NE1 N 15 127.475 0 . 1 . . . A 83 TRP NE1 . 11592 1 797 . 1 1 84 84 THR C C 13 174.589 0 . 1 . . . A 84 THR C . 11592 1 798 . 1 1 84 84 THR CA C 13 61.635 0.081 . 1 . . . A 84 THR CA . 11592 1 799 . 1 1 84 84 THR CB C 13 70.936 0.239 . 1 . . . A 84 THR CB . 11592 1 800 . 1 1 84 84 THR CG2 C 13 21.024 0.143 . 1 . . . A 84 THR CG2 . 11592 1 801 . 1 1 84 84 THR H H 1 9.562 0.005 . 1 . . . A 84 THR H . 11592 1 802 . 1 1 84 84 THR HA H 1 4.614 0.035 . 1 . . . A 84 THR HA . 11592 1 803 . 1 1 84 84 THR HB H 1 3.975 0.016 . 1 . . . A 84 THR HB . 11592 1 804 . 1 1 84 84 THR N N 15 120.065 0.053 . 1 . . . A 84 THR N . 11592 1 805 . 1 1 84 84 THR HG21 H 1 1.084 0.019 . 1 . . . A 84 THR HG21 . 11592 1 806 . 1 1 84 84 THR HG22 H 1 1.084 0.019 . 1 . . . A 84 THR HG22 . 11592 1 807 . 1 1 84 84 THR HG23 H 1 1.084 0.019 . 1 . . . A 84 THR HG23 . 11592 1 808 . 1 1 85 85 THR C C 13 174.306 0 . 1 . . . A 85 THR C . 11592 1 809 . 1 1 85 85 THR CA C 13 64.546 0.18 . 1 . . . A 85 THR CA . 11592 1 810 . 1 1 85 85 THR CB C 13 68.948 0.174 . 1 . . . A 85 THR CB . 11592 1 811 . 1 1 85 85 THR CG2 C 13 22.461 0.077 . 1 . . . A 85 THR CG2 . 11592 1 812 . 1 1 85 85 THR H H 1 9.438 0.005 . 1 . . . A 85 THR H . 11592 1 813 . 1 1 85 85 THR HA H 1 4.385 0.032 . 1 . . . A 85 THR HA . 11592 1 814 . 1 1 85 85 THR HB H 1 4.067 0.014 . 1 . . . A 85 THR HB . 11592 1 815 . 1 1 85 85 THR N N 15 126.651 0.057 . 1 . . . A 85 THR N . 11592 1 816 . 1 1 85 85 THR HG21 H 1 1.183 0.027 . 1 . . . A 85 THR HG21 . 11592 1 817 . 1 1 85 85 THR HG22 H 1 1.183 0.027 . 1 . . . A 85 THR HG22 . 11592 1 818 . 1 1 85 85 THR HG23 H 1 1.183 0.027 . 1 . . . A 85 THR HG23 . 11592 1 819 . 1 1 86 86 VAL C C 13 174.804 0.004 . 1 . . . A 86 VAL C . 11592 1 820 . 1 1 86 86 VAL CA C 13 60.519 0.105 . 1 . . . A 86 VAL CA . 11592 1 821 . 1 1 86 86 VAL CB C 13 32.623 0.119 . 1 . . . A 86 VAL CB . 11592 1 822 . 1 1 86 86 VAL CG1 C 13 17.096 0.083 . 2 . . . A 86 VAL CG1 . 11592 1 823 . 1 1 86 86 VAL CG2 C 13 21.932 0.079 . 2 . . . A 86 VAL CG2 . 11592 1 824 . 1 1 86 86 VAL H H 1 8.725 0.008 . 1 . . . A 86 VAL H . 11592 1 825 . 1 1 86 86 VAL HA H 1 4.486 0.026 . 1 . . . A 86 VAL HA . 11592 1 826 . 1 1 86 86 VAL HB H 1 1.769 0.04 . 1 . . . A 86 VAL HB . 11592 1 827 . 1 1 86 86 VAL N N 15 119.745 0.053 . 1 . . . A 86 VAL N . 11592 1 828 . 1 1 86 86 VAL HG11 H 1 -0.19 0.026 . 2 . . . A 86 VAL HG11 . 11592 1 829 . 1 1 86 86 VAL HG12 H 1 -0.19 0.026 . 2 . . . A 86 VAL HG12 . 11592 1 830 . 1 1 86 86 VAL HG13 H 1 -0.19 0.026 . 2 . . . A 86 VAL HG13 . 11592 1 831 . 1 1 86 86 VAL HG21 H 1 0.702 0.052 . 2 . . . A 86 VAL HG21 . 11592 1 832 . 1 1 86 86 VAL HG22 H 1 0.702 0.052 . 2 . . . A 86 VAL HG22 . 11592 1 833 . 1 1 86 86 VAL HG23 H 1 0.702 0.052 . 2 . . . A 86 VAL HG23 . 11592 1 834 . 1 1 87 87 TYR C C 13 172.98 0.009 . 1 . . . A 87 TYR C . 11592 1 835 . 1 1 87 87 TYR CA C 13 58.101 0.055 . 1 . . . A 87 TYR CA . 11592 1 836 . 1 1 87 87 TYR CB C 13 42.084 0.126 . 1 . . . A 87 TYR CB . 11592 1 837 . 1 1 87 87 TYR H H 1 7.549 0.007 . 1 . . . A 87 TYR H . 11592 1 838 . 1 1 87 87 TYR HA H 1 4.627 0.013 . 1 . . . A 87 TYR HA . 11592 1 839 . 1 1 87 87 TYR HB2 H 1 3.237 0.023 . 2 . . . A 87 TYR HB2 . 11592 1 840 . 1 1 87 87 TYR HB3 H 1 2.288 0.025 . 2 . . . A 87 TYR HB3 . 11592 1 841 . 1 1 87 87 TYR N N 15 121.195 0.077 . 1 . . . A 87 TYR N . 11592 1 842 . 1 1 88 88 SER C C 13 170.693 0.002 . 1 . . . A 88 SER C . 11592 1 843 . 1 1 88 88 SER CA C 13 57.06 0.089 . 1 . . . A 88 SER CA . 11592 1 844 . 1 1 88 88 SER CB C 13 65.609 0.094 . 1 . . . A 88 SER CB . 11592 1 845 . 1 1 88 88 SER H H 1 7.563 0.011 . 1 . . . A 88 SER H . 11592 1 846 . 1 1 88 88 SER HA H 1 4.755 0.039 . 1 . . . A 88 SER HA . 11592 1 847 . 1 1 88 88 SER HB2 H 1 3.566 0.027 . 2 . . . A 88 SER HB2 . 11592 1 848 . 1 1 88 88 SER N N 15 121.641 0.081 . 1 . . . A 88 SER N . 11592 1 849 . 1 1 89 89 THR C C 13 173.321 0 . 1 . . . A 89 THR C . 11592 1 850 . 1 1 89 89 THR CA C 13 59.606 0.189 . 1 . . . A 89 THR CA . 11592 1 851 . 1 1 89 89 THR CB C 13 70.088 0.127 . 1 . . . A 89 THR CB . 11592 1 852 . 1 1 89 89 THR CG2 C 13 19.455 0.641 . 1 . . . A 89 THR CG2 . 11592 1 853 . 1 1 89 89 THR H H 1 8.06 0.007 . 1 . . . A 89 THR H . 11592 1 854 . 1 1 89 89 THR HA H 1 4.625 0.039 . 1 . . . A 89 THR HA . 11592 1 855 . 1 1 89 89 THR HB H 1 3.816 0.023 . 1 . . . A 89 THR HB . 11592 1 856 . 1 1 89 89 THR N N 15 114.258 0.022 . 1 . . . A 89 THR N . 11592 1 857 . 1 1 89 89 THR HG21 H 1 0.519 0.042 . 1 . . . A 89 THR HG21 . 11592 1 858 . 1 1 89 89 THR HG22 H 1 0.519 0.042 . 1 . . . A 89 THR HG22 . 11592 1 859 . 1 1 89 89 THR HG23 H 1 0.519 0.042 . 1 . . . A 89 THR HG23 . 11592 1 860 . 1 1 90 90 THR C C 13 175.686 0.02 . 1 . . . A 90 THR C . 11592 1 861 . 1 1 90 90 THR CA C 13 62.04 0.04 . 1 . . . A 90 THR CA . 11592 1 862 . 1 1 90 90 THR CB C 13 69.01 0.07 . 1 . . . A 90 THR CB . 11592 1 863 . 1 1 90 90 THR CG2 C 13 21.712 0 . 1 . . . A 90 THR CG2 . 11592 1 864 . 1 1 90 90 THR H H 1 8.536 0.014 . 1 . . . A 90 THR H . 11592 1 865 . 1 1 90 90 THR HA H 1 4.693 0.046 . 1 . . . A 90 THR HA . 11592 1 866 . 1 1 90 90 THR HB H 1 4.474 0.017 . 1 . . . A 90 THR HB . 11592 1 867 . 1 1 90 90 THR N N 15 115.967 0.053 . 1 . . . A 90 THR N . 11592 1 868 . 1 1 90 90 THR HG21 H 1 1.108 0.003 . 1 . . . A 90 THR HG21 . 11592 1 869 . 1 1 90 90 THR HG22 H 1 1.108 0.003 . 1 . . . A 90 THR HG22 . 11592 1 870 . 1 1 90 90 THR HG23 H 1 1.108 0.003 . 1 . . . A 90 THR HG23 . 11592 1 871 . 1 1 91 91 THR C C 13 174.967 0.007 . 1 . . . A 91 THR C . 11592 1 872 . 1 1 91 91 THR CA C 13 59.67 0.212 . 1 . . . A 91 THR CA . 11592 1 873 . 1 1 91 91 THR CB C 13 68.167 0.309 . 1 . . . A 91 THR CB . 11592 1 874 . 1 1 91 91 THR CG2 C 13 20.908 0.092 . 1 . . . A 91 THR CG2 . 11592 1 875 . 1 1 91 91 THR H H 1 8.985 0.01 . 1 . . . A 91 THR H . 11592 1 876 . 1 1 91 91 THR HA H 1 4.65 0.021 . 1 . . . A 91 THR HA . 11592 1 877 . 1 1 91 91 THR HB H 1 4.555 0.017 . 1 . . . A 91 THR HB . 11592 1 878 . 1 1 91 91 THR N N 15 116.628 0.037 . 1 . . . A 91 THR N . 11592 1 879 . 1 1 91 91 THR HG21 H 1 1.041 0.028 . 1 . . . A 91 THR HG21 . 11592 1 880 . 1 1 91 91 THR HG22 H 1 1.041 0.028 . 1 . . . A 91 THR HG22 . 11592 1 881 . 1 1 91 91 THR HG23 H 1 1.041 0.028 . 1 . . . A 91 THR HG23 . 11592 1 882 . 1 1 92 92 GLY C C 13 174.128 0 . 1 . . . A 92 GLY C . 11592 1 883 . 1 1 92 92 GLY CA C 13 46.614 0.072 . 1 . . . A 92 GLY CA . 11592 1 884 . 1 1 92 92 GLY H H 1 9.646 0.007 . 1 . . . A 92 GLY H . 11592 1 885 . 1 1 92 92 GLY HA2 H 1 3.915 0.028 . 1 . . . A 92 GLY HA2 . 11592 1 886 . 1 1 92 92 GLY HA3 H 1 4.225 0.027 . 1 . . . A 92 GLY HA3 . 11592 1 887 . 1 1 92 92 GLY N N 15 113.94 0.063 . 1 . . . A 92 GLY N . 11592 1 888 . 1 1 93 93 ASP C C 13 177.651 0.025 . 1 . . . A 93 ASP C . 11592 1 889 . 1 1 93 93 ASP CA C 13 51.994 0.136 . 1 . . . A 93 ASP CA . 11592 1 890 . 1 1 93 93 ASP CB C 13 41.177 0.065 . 1 . . . A 93 ASP CB . 11592 1 891 . 1 1 93 93 ASP H H 1 8.148 0.009 . 1 . . . A 93 ASP H . 11592 1 892 . 1 1 93 93 ASP HA H 1 4.633 0.011 . 1 . . . A 93 ASP HA . 11592 1 893 . 1 1 93 93 ASP HB2 H 1 3.099 0.001 . 2 . . . A 93 ASP HB2 . 11592 1 894 . 1 1 93 93 ASP HB3 H 1 2.511 0.001 . 2 . . . A 93 ASP HB3 . 11592 1 895 . 1 1 93 93 ASP N N 15 122.333 0.005 . 1 . . . A 93 ASP N . 11592 1 896 . 1 1 94 94 GLY C C 13 172.966 0 . 1 . . . A 94 GLY C . 11592 1 897 . 1 1 94 94 GLY CA C 13 43.772 0.284 . 1 . . . A 94 GLY CA . 11592 1 898 . 1 1 94 94 GLY H H 1 9.095 0.007 . 1 . . . A 94 GLY H . 11592 1 899 . 1 1 94 94 GLY HA2 H 1 2.205 0.035 . 2 . . . A 94 GLY HA2 . 11592 1 900 . 1 1 94 94 GLY HA3 H 1 2.624 0.031 . 2 . . . A 94 GLY HA3 . 11592 1 901 . 1 1 94 94 GLY N N 15 113.069 0 . 1 . . . A 94 GLY N . 11592 1 902 . 1 1 95 95 ALA C C 13 175.509 0.019 . 1 . . . A 95 ALA C . 11592 1 903 . 1 1 95 95 ALA CA C 13 53.433 0.299 . 1 . . . A 95 ALA CA . 11592 1 904 . 1 1 95 95 ALA CB C 13 17.431 0.058 . 1 . . . A 95 ALA CB . 11592 1 905 . 1 1 95 95 ALA H H 1 9.465 0.005 . 1 . . . A 95 ALA H . 11592 1 906 . 1 1 95 95 ALA HA H 1 4.059 0.027 . 1 . . . A 95 ALA HA . 11592 1 907 . 1 1 95 95 ALA N N 15 127.24 0 . 1 . . . A 95 ALA N . 11592 1 908 . 1 1 95 95 ALA HB1 H 1 1.476 0.023 . 1 . . . A 95 ALA HB1 . 11592 1 909 . 1 1 95 95 ALA HB2 H 1 1.476 0.023 . 1 . . . A 95 ALA HB2 . 11592 1 910 . 1 1 95 95 ALA HB3 H 1 1.476 0.023 . 1 . . . A 95 ALA HB3 . 11592 1 911 . 1 1 96 96 ILE C C 13 179.671 0.013 . 1 . . . A 96 ILE C . 11592 1 912 . 1 1 96 96 ILE CA C 13 59.657 0.275 . 1 . . . A 96 ILE CA . 11592 1 913 . 1 1 96 96 ILE CB C 13 36.684 0.131 . 1 . . . A 96 ILE CB . 11592 1 914 . 1 1 96 96 ILE CD1 C 13 10.786 0.237 . 1 . . . A 96 ILE CD1 . 11592 1 915 . 1 1 96 96 ILE CG1 C 13 27.811 0.506 . 1 . . . A 96 ILE CG1 . 11592 1 916 . 1 1 96 96 ILE CG2 C 13 18.209 0.265 . 1 . . . A 96 ILE CG2 . 11592 1 917 . 1 1 96 96 ILE H H 1 7.749 0.007 . 1 . . . A 96 ILE H . 11592 1 918 . 1 1 96 96 ILE HA H 1 5.156 0.022 . 1 . . . A 96 ILE HA . 11592 1 919 . 1 1 96 96 ILE HB H 1 2.035 0.031 . 1 . . . A 96 ILE HB . 11592 1 920 . 1 1 96 96 ILE HG12 H 1 1.493 0.02 . 1 . . . A 96 ILE HG12 . 11592 1 921 . 1 1 96 96 ILE HG13 H 1 1.372 0.003 . 1 . . . A 96 ILE HG13 . 11592 1 922 . 1 1 96 96 ILE N N 15 120.865 0.005 . 1 . . . A 96 ILE N . 11592 1 923 . 1 1 96 96 ILE HD11 H 1 0.744 0.037 . 1 . . . A 96 ILE HD11 . 11592 1 924 . 1 1 96 96 ILE HD12 H 1 0.744 0.037 . 1 . . . A 96 ILE HD12 . 11592 1 925 . 1 1 96 96 ILE HD13 H 1 0.744 0.037 . 1 . . . A 96 ILE HD13 . 11592 1 926 . 1 1 96 96 ILE HG21 H 1 0.806 0.025 . 1 . . . A 96 ILE HG21 . 11592 1 927 . 1 1 96 96 ILE HG22 H 1 0.806 0.025 . 1 . . . A 96 ILE HG22 . 11592 1 928 . 1 1 96 96 ILE HG23 H 1 0.806 0.025 . 1 . . . A 96 ILE HG23 . 11592 1 929 . 1 1 97 97 ASP C C 13 172.164 0.013 . 1 . . . A 97 ASP C . 11592 1 930 . 1 1 97 97 ASP CA C 13 53.438 0.044 . 1 . . . A 97 ASP CA . 11592 1 931 . 1 1 97 97 ASP CB C 13 42.177 0.107 . 1 . . . A 97 ASP CB . 11592 1 932 . 1 1 97 97 ASP H H 1 9.716 0.012 . 1 . . . A 97 ASP H . 11592 1 933 . 1 1 97 97 ASP HA H 1 5.059 0.029 . 1 . . . A 97 ASP HA . 11592 1 934 . 1 1 97 97 ASP HB2 H 1 2.949 0.028 . 2 . . . A 97 ASP HB2 . 11592 1 935 . 1 1 97 97 ASP N N 15 133.154 0.014 . 1 . . . A 97 ASP N . 11592 1 936 . 1 1 98 98 ASP C C 13 174.816 0.013 . 1 . . . A 98 ASP C . 11592 1 937 . 1 1 98 98 ASP CA C 13 53.389 0.116 . 1 . . . A 98 ASP CA . 11592 1 938 . 1 1 98 98 ASP CB C 13 41.502 0.222 . 1 . . . A 98 ASP CB . 11592 1 939 . 1 1 98 98 ASP H H 1 8.881 0.01 . 1 . . . A 98 ASP H . 11592 1 940 . 1 1 98 98 ASP HA H 1 5.049 0.033 . 1 . . . A 98 ASP HA . 11592 1 941 . 1 1 98 98 ASP HB2 H 1 2.948 0.018 . 2 . . . A 98 ASP HB2 . 11592 1 942 . 1 1 98 98 ASP HB3 H 1 2.132 0.01 . 2 . . . A 98 ASP HB3 . 11592 1 943 . 1 1 98 98 ASP N N 15 126.899 0.012 . 1 . . . A 98 ASP N . 11592 1 944 . 1 1 99 99 ILE C C 13 174.356 0.006 . 1 . . . A 99 ILE C . 11592 1 945 . 1 1 99 99 ILE CA C 13 60.174 0.128 . 1 . . . A 99 ILE CA . 11592 1 946 . 1 1 99 99 ILE CB C 13 40.489 0.143 . 1 . . . A 99 ILE CB . 11592 1 947 . 1 1 99 99 ILE CD1 C 13 13.949 0.032 . 1 . . . A 99 ILE CD1 . 11592 1 948 . 1 1 99 99 ILE CG1 C 13 26.299 0.286 . 1 . . . A 99 ILE CG1 . 11592 1 949 . 1 1 99 99 ILE CG2 C 13 17.829 0.077 . 1 . . . A 99 ILE CG2 . 11592 1 950 . 1 1 99 99 ILE H H 1 9.211 0.007 . 1 . . . A 99 ILE H . 11592 1 951 . 1 1 99 99 ILE HA H 1 4.09 0.025 . 1 . . . A 99 ILE HA . 11592 1 952 . 1 1 99 99 ILE HB H 1 1.873 0.022 . 1 . . . A 99 ILE HB . 11592 1 953 . 1 1 99 99 ILE HG12 H 1 0.731 0.022 . 1 . . . A 99 ILE HG12 . 11592 1 954 . 1 1 99 99 ILE HG13 H 1 1.066 0.003 . 1 . . . A 99 ILE HG13 . 11592 1 955 . 1 1 99 99 ILE N N 15 128.71 0.008 . 1 . . . A 99 ILE N . 11592 1 956 . 1 1 99 99 ILE HD11 H 1 0.735 0.029 . 1 . . . A 99 ILE HD11 . 11592 1 957 . 1 1 99 99 ILE HD12 H 1 0.735 0.029 . 1 . . . A 99 ILE HD12 . 11592 1 958 . 1 1 99 99 ILE HD13 H 1 0.735 0.029 . 1 . . . A 99 ILE HD13 . 11592 1 959 . 1 1 99 99 ILE HG21 H 1 0.283 0.031 . 1 . . . A 99 ILE HG21 . 11592 1 960 . 1 1 99 99 ILE HG22 H 1 0.283 0.031 . 1 . . . A 99 ILE HG22 . 11592 1 961 . 1 1 99 99 ILE HG23 H 1 0.283 0.031 . 1 . . . A 99 ILE HG23 . 11592 1 962 . 1 1 100 100 THR C C 13 173.272 0.003 . 1 . . . A 100 THR C . 11592 1 963 . 1 1 100 100 THR CA C 13 60.285 0.262 . 1 . . . A 100 THR CA . 11592 1 964 . 1 1 100 100 THR CB C 13 71.119 0.116 . 1 . . . A 100 THR CB . 11592 1 965 . 1 1 100 100 THR CG2 C 13 22.06 0.113 . 1 . . . A 100 THR CG2 . 11592 1 966 . 1 1 100 100 THR H H 1 8.033 0.006 . 1 . . . A 100 THR H . 11592 1 967 . 1 1 100 100 THR HA H 1 4.974 0.012 . 1 . . . A 100 THR HA . 11592 1 968 . 1 1 100 100 THR HB H 1 4.003 0.023 . 1 . . . A 100 THR HB . 11592 1 969 . 1 1 100 100 THR N N 15 118.635 0.034 . 1 . . . A 100 THR N . 11592 1 970 . 1 1 100 100 THR HG21 H 1 1.111 0.037 . 1 . . . A 100 THR HG21 . 11592 1 971 . 1 1 100 100 THR HG22 H 1 1.111 0.037 . 1 . . . A 100 THR HG22 . 11592 1 972 . 1 1 100 100 THR HG23 H 1 1.111 0.037 . 1 . . . A 100 THR HG23 . 11592 1 973 . 1 1 101 101 PHE C C 13 173.959 0.007 . 1 . . . A 101 PHE C . 11592 1 974 . 1 1 101 101 PHE CA C 13 54.783 0.192 . 1 . . . A 101 PHE CA . 11592 1 975 . 1 1 101 101 PHE CB C 13 40.1 0.135 . 1 . . . A 101 PHE CB . 11592 1 976 . 1 1 101 101 PHE CD2 C 13 133.11 0 . 1 . . . A 101 PHE CD2 . 11592 1 977 . 1 1 101 101 PHE CE2 C 13 129.517 0 . 1 . . . A 101 PHE CE2 . 11592 1 978 . 1 1 101 101 PHE H H 1 8.008 0.008 . 1 . . . A 101 PHE H . 11592 1 979 . 1 1 101 101 PHE HA H 1 4.89 0.023 . 1 . . . A 101 PHE HA . 11592 1 980 . 1 1 101 101 PHE HB2 H 1 3.323 0.008 . 2 . . . A 101 PHE HB2 . 11592 1 981 . 1 1 101 101 PHE HB3 H 1 3.117 0.009 . 2 . . . A 101 PHE HB3 . 11592 1 982 . 1 1 101 101 PHE HD2 H 1 7.064 0.023 . 1 . . . A 101 PHE HD2 . 11592 1 983 . 1 1 101 101 PHE HE2 H 1 6.911 0.013 . 1 . . . A 101 PHE HE2 . 11592 1 984 . 1 1 101 101 PHE N N 15 120.822 0.063 . 1 . . . A 101 PHE N . 11592 1 985 . 1 1 102 102 ALA C C 13 177.264 0.013 . 1 . . . A 102 ALA C . 11592 1 986 . 1 1 102 102 ALA CA C 13 52.774 0.062 . 1 . . . A 102 ALA CA . 11592 1 987 . 1 1 102 102 ALA CB C 13 18.231 0.053 . 1 . . . A 102 ALA CB . 11592 1 988 . 1 1 102 102 ALA H H 1 8.458 0.009 . 1 . . . A 102 ALA H . 11592 1 989 . 1 1 102 102 ALA HA H 1 4.109 0.009 . 1 . . . A 102 ALA HA . 11592 1 990 . 1 1 102 102 ALA N N 15 122.101 0.064 . 1 . . . A 102 ALA N . 11592 1 991 . 1 1 102 102 ALA HB1 H 1 1.423 0.026 . 1 . . . A 102 ALA HB1 . 11592 1 992 . 1 1 102 102 ALA HB2 H 1 1.423 0.026 . 1 . . . A 102 ALA HB2 . 11592 1 993 . 1 1 102 102 ALA HB3 H 1 1.423 0.026 . 1 . . . A 102 ALA HB3 . 11592 1 994 . 1 1 103 103 ALA C C 13 178.39 0.007 . 1 . . . A 103 ALA C . 11592 1 995 . 1 1 103 103 ALA CA C 13 52.851 0.218 . 1 . . . A 103 ALA CA . 11592 1 996 . 1 1 103 103 ALA CB C 13 18.224 0.128 . 1 . . . A 103 ALA CB . 11592 1 997 . 1 1 103 103 ALA H H 1 8.083 0.008 . 1 . . . A 103 ALA H . 11592 1 998 . 1 1 103 103 ALA HA H 1 4.461 0.031 . 1 . . . A 103 ALA HA . 11592 1 999 . 1 1 103 103 ALA N N 15 123.307 0.061 . 1 . . . A 103 ALA N . 11592 1 1000 . 1 1 103 103 ALA HB1 H 1 1.185 0.025 . 1 . . . A 103 ALA HB1 . 11592 1 1001 . 1 1 103 103 ALA HB2 H 1 1.185 0.025 . 1 . . . A 103 ALA HB2 . 11592 1 1002 . 1 1 103 103 ALA HB3 H 1 1.185 0.025 . 1 . . . A 103 ALA HB3 . 11592 1 1003 . 1 1 104 104 THR C C 13 171.789 0.001 . 1 . . . A 104 THR C . 11592 1 1004 . 1 1 104 104 THR CA C 13 60.412 0.122 . 1 . . . A 104 THR CA . 11592 1 1005 . 1 1 104 104 THR CB C 13 71.492 0.109 . 1 . . . A 104 THR CB . 11592 1 1006 . 1 1 104 104 THR CG2 C 13 20.028 0.1 . 1 . . . A 104 THR CG2 . 11592 1 1007 . 1 1 104 104 THR H H 1 9.075 0.007 . 1 . . . A 104 THR H . 11592 1 1008 . 1 1 104 104 THR HA H 1 4.584 0.028 . 1 . . . A 104 THR HA . 11592 1 1009 . 1 1 104 104 THR HB H 1 3.998 0.02 . 1 . . . A 104 THR HB . 11592 1 1010 . 1 1 104 104 THR N N 15 118.842 0.066 . 1 . . . A 104 THR N . 11592 1 1011 . 1 1 104 104 THR HG21 H 1 1.188 0.02 . 1 . . . A 104 THR HG21 . 11592 1 1012 . 1 1 104 104 THR HG22 H 1 1.188 0.02 . 1 . . . A 104 THR HG22 . 11592 1 1013 . 1 1 104 104 THR HG23 H 1 1.188 0.02 . 1 . . . A 104 THR HG23 . 11592 1 1014 . 1 1 105 105 ASN C C 13 175.208 0.019 . 1 . . . A 105 ASN C . 11592 1 1015 . 1 1 105 105 ASN CA C 13 52.634 0.086 . 1 . . . A 105 ASN CA . 11592 1 1016 . 1 1 105 105 ASN CB C 13 38.435 0.127 . 1 . . . A 105 ASN CB . 11592 1 1017 . 1 1 105 105 ASN H H 1 8.284 0.006 . 1 . . . A 105 ASN H . 11592 1 1018 . 1 1 105 105 ASN HA H 1 5.231 0.024 . 1 . . . A 105 ASN HA . 11592 1 1019 . 1 1 105 105 ASN HB2 H 1 2.643 0.014 . 2 . . . A 105 ASN HB2 . 11592 1 1020 . 1 1 105 105 ASN HB3 H 1 2.215 0.031 . 2 . . . A 105 ASN HB3 . 11592 1 1021 . 1 1 105 105 ASN HD21 H 1 7.421 0.001 . 1 . . . A 105 ASN HD21 . 11592 1 1022 . 1 1 105 105 ASN N N 15 124.547 0.038 . 1 . . . A 105 ASN N . 11592 1 1023 . 1 1 105 105 ASN ND2 N 15 112.257 0 . 1 . . . A 105 ASN ND2 . 11592 1 1024 . 1 1 106 106 ALA C C 13 174.402 0.019 . 1 . . . A 106 ALA C . 11592 1 1025 . 1 1 106 106 ALA CA C 13 52.688 0.092 . 1 . . . A 106 ALA CA . 11592 1 1026 . 1 1 106 106 ALA CB C 13 23.532 0.117 . 1 . . . A 106 ALA CB . 11592 1 1027 . 1 1 106 106 ALA H H 1 9.402 0.007 . 1 . . . A 106 ALA H . 11592 1 1028 . 1 1 106 106 ALA HA H 1 4.377 0.033 . 1 . . . A 106 ALA HA . 11592 1 1029 . 1 1 106 106 ALA N N 15 125.495 0.067 . 1 . . . A 106 ALA N . 11592 1 1030 . 1 1 106 106 ALA HB1 H 1 1.298 0.017 . 1 . . . A 106 ALA HB1 . 11592 1 1031 . 1 1 106 106 ALA HB2 H 1 1.298 0.017 . 1 . . . A 106 ALA HB2 . 11592 1 1032 . 1 1 106 106 ALA HB3 H 1 1.298 0.017 . 1 . . . A 106 ALA HB3 . 11592 1 1033 . 1 1 107 107 LYS C C 13 173.267 0.019 . 1 . . . A 107 LYS C . 11592 1 1034 . 1 1 107 107 LYS CA C 13 56.231 0.172 . 1 . . . A 107 LYS CA . 11592 1 1035 . 1 1 107 107 LYS CB C 13 35.56 0.169 . 1 . . . A 107 LYS CB . 11592 1 1036 . 1 1 107 107 LYS H H 1 8.091 0.016 . 1 . . . A 107 LYS H . 11592 1 1037 . 1 1 107 107 LYS HA H 1 4.585 0.04 . 1 . . . A 107 LYS HA . 11592 1 1038 . 1 1 107 107 LYS HB2 H 1 1.448 0.032 . 1 . . . A 107 LYS HB2 . 11592 1 1039 . 1 1 107 107 LYS N N 15 120.276 0.04 . 1 . . . A 107 LYS N . 11592 1 1040 . 1 1 108 108 PHE C C 13 176.042 0 . 1 . . . A 108 PHE C . 11592 1 1041 . 1 1 108 108 PHE CA C 13 54.192 0.104 . 1 . . . A 108 PHE CA . 11592 1 1042 . 1 1 108 108 PHE CB C 13 43.458 0.157 . 1 . . . A 108 PHE CB . 11592 1 1043 . 1 1 108 108 PHE CD2 C 13 132.95 0 . 1 . . . A 108 PHE CD2 . 11592 1 1044 . 1 1 108 108 PHE H H 1 8.255 0.01 . 1 . . . A 108 PHE H . 11592 1 1045 . 1 1 108 108 PHE HA H 1 6.022 0.023 . 1 . . . A 108 PHE HA . 11592 1 1046 . 1 1 108 108 PHE HB2 H 1 2.774 0.018 . 2 . . . A 108 PHE HB2 . 11592 1 1047 . 1 1 108 108 PHE HB3 H 1 2.525 0.019 . 2 . . . A 108 PHE HB3 . 11592 1 1048 . 1 1 108 108 PHE HD2 H 1 6.771 0.03 . 3 . . . A 108 PHE HD2 . 11592 1 1049 . 1 1 108 108 PHE N N 15 113.466 0.04 . 1 . . . A 108 PHE N . 11592 1 1050 . 1 1 109 109 VAL C C 13 173.285 0.013 . 1 . . . A 109 VAL C . 11592 1 1051 . 1 1 109 109 VAL CA C 13 60.121 0.127 . 1 . . . A 109 VAL CA . 11592 1 1052 . 1 1 109 109 VAL CB C 13 34.964 0.183 . 1 . . . A 109 VAL CB . 11592 1 1053 . 1 1 109 109 VAL CG1 C 13 21.31 0.026 . 1 . . . A 109 VAL CG1 . 11592 1 1054 . 1 1 109 109 VAL H H 1 8.502 0.008 . 1 . . . A 109 VAL H . 11592 1 1055 . 1 1 109 109 VAL HA H 1 5.402 0.019 . 1 . . . A 109 VAL HA . 11592 1 1056 . 1 1 109 109 VAL HB H 1 1.902 0.037 . 1 . . . A 109 VAL HB . 11592 1 1057 . 1 1 109 109 VAL N N 15 119.497 0.049 . 1 . . . A 109 VAL N . 11592 1 1058 . 1 1 110 110 ARG C C 13 174.955 0.005 . 1 . . . A 110 ARG C . 11592 1 1059 . 1 1 110 110 ARG CA C 13 54.284 0.147 . 1 . . . A 110 ARG CA . 11592 1 1060 . 1 1 110 110 ARG CB C 13 37.581 0.115 . 1 . . . A 110 ARG CB . 11592 1 1061 . 1 1 110 110 ARG H H 1 9.948 0.007 . 1 . . . A 110 ARG H . 11592 1 1062 . 1 1 110 110 ARG HA H 1 5.668 0.026 . 1 . . . A 110 ARG HA . 11592 1 1063 . 1 1 110 110 ARG HB2 H 1 1.036 0.029 . 2 . . . A 110 ARG HB2 . 11592 1 1064 . 1 1 110 110 ARG HB3 H 1 0.947 0.001 . 2 . . . A 110 ARG HB3 . 11592 1 1065 . 1 1 110 110 ARG N N 15 128.115 0.054 . 1 . . . A 110 ARG N . 11592 1 1066 . 1 1 111 111 VAL C C 13 173.294 0 . 1 . . . A 111 VAL C . 11592 1 1067 . 1 1 111 111 VAL CA C 13 61.692 0.125 . 1 . . . A 111 VAL CA . 11592 1 1068 . 1 1 111 111 VAL CB C 13 32.729 0.101 . 1 . . . A 111 VAL CB . 11592 1 1069 . 1 1 111 111 VAL CG1 C 13 21.923 0.14 . 2 . . . A 111 VAL CG1 . 11592 1 1070 . 1 1 111 111 VAL CG2 C 13 20.108 0.059 . 2 . . . A 111 VAL CG2 . 11592 1 1071 . 1 1 111 111 VAL H H 1 8.542 0.008 . 1 . . . A 111 VAL H . 11592 1 1072 . 1 1 111 111 VAL HA H 1 4.706 0.047 . 1 . . . A 111 VAL HA . 11592 1 1073 . 1 1 111 111 VAL HB H 1 1.615 0.023 . 1 . . . A 111 VAL HB . 11592 1 1074 . 1 1 111 111 VAL N N 15 124.103 0.107 . 1 . . . A 111 VAL N . 11592 1 1075 . 1 1 111 111 VAL HG11 H 1 0.156 0.022 . 2 . . . A 111 VAL HG11 . 11592 1 1076 . 1 1 111 111 VAL HG12 H 1 0.156 0.022 . 2 . . . A 111 VAL HG12 . 11592 1 1077 . 1 1 111 111 VAL HG13 H 1 0.156 0.022 . 2 . . . A 111 VAL HG13 . 11592 1 1078 . 1 1 111 111 VAL HG21 H 1 0.617 0.024 . 2 . . . A 111 VAL HG21 . 11592 1 1079 . 1 1 111 111 VAL HG22 H 1 0.617 0.024 . 2 . . . A 111 VAL HG22 . 11592 1 1080 . 1 1 111 111 VAL HG23 H 1 0.617 0.024 . 2 . . . A 111 VAL HG23 . 11592 1 1081 . 1 1 112 112 TYR C C 13 173.116 0 . 1 . . . A 112 TYR C . 11592 1 1082 . 1 1 112 112 TYR CA C 13 56.694 0.176 . 1 . . . A 112 TYR CA . 11592 1 1083 . 1 1 112 112 TYR CB C 13 40.572 0.11 . 1 . . . A 112 TYR CB . 11592 1 1084 . 1 1 112 112 TYR CD1 C 13 132.942 0 . 1 . . . A 112 TYR CD1 . 11592 1 1085 . 1 1 112 112 TYR CE1 C 13 118.793 0 . 1 . . . A 112 TYR CE1 . 11592 1 1086 . 1 1 112 112 TYR H H 1 9.039 0.009 . 1 . . . A 112 TYR H . 11592 1 1087 . 1 1 112 112 TYR HA H 1 4.835 0.241 . 1 . . . A 112 TYR HA . 11592 1 1088 . 1 1 112 112 TYR HB2 H 1 2.971 0.013 . 2 . . . A 112 TYR HB2 . 11592 1 1089 . 1 1 112 112 TYR HB3 H 1 2.103 0.007 . 2 . . . A 112 TYR HB3 . 11592 1 1090 . 1 1 112 112 TYR HD2 H 1 6.606 0.004 . 1 . . . A 112 TYR HD2 . 11592 1 1091 . 1 1 112 112 TYR N N 15 130.642 0.063 . 1 . . . A 112 TYR N . 11592 1 1092 . 1 1 112 112 TYR HE1 H 1 6.752 0.028 . 1 . . . A 112 TYR HE1 . 11592 1 1093 . 1 1 112 112 TYR HE2 H 1 6.752 0.028 . 1 . . . A 112 TYR HE2 . 11592 1 1094 . 1 1 113 113 ALA C C 13 174.93 0.025 . 1 . . . A 113 ALA C . 11592 1 1095 . 1 1 113 113 ALA CA C 13 51.414 0.195 . 1 . . . A 113 ALA CA . 11592 1 1096 . 1 1 113 113 ALA CB C 13 19.611 0.064 . 1 . . . A 113 ALA CB . 11592 1 1097 . 1 1 113 113 ALA H H 1 9.261 0.009 . 1 . . . A 113 ALA H . 11592 1 1098 . 1 1 113 113 ALA HA H 1 4.707 0.007 . 1 . . . A 113 ALA HA . 11592 1 1099 . 1 1 113 113 ALA N N 15 132.682 0.047 . 1 . . . A 113 ALA N . 11592 1 1100 . 1 1 113 113 ALA HB1 H 1 0.52 0.043 . 1 . . . A 113 ALA HB1 . 11592 1 1101 . 1 1 113 113 ALA HB2 H 1 0.52 0.043 . 1 . . . A 113 ALA HB2 . 11592 1 1102 . 1 1 113 113 ALA HB3 H 1 0.52 0.043 . 1 . . . A 113 ALA HB3 . 11592 1 1103 . 1 1 114 114 THR C C 13 176.616 0.019 . 1 . . . A 114 THR C . 11592 1 1104 . 1 1 114 114 THR CA C 13 61.717 0.269 . 1 . . . A 114 THR CA . 11592 1 1105 . 1 1 114 114 THR CB C 13 70.65 0.134 . 1 . . . A 114 THR CB . 11592 1 1106 . 1 1 114 114 THR CG2 C 13 22.161 0.062 . 1 . . . A 114 THR CG2 . 11592 1 1107 . 1 1 114 114 THR H H 1 8.029 0.009 . 1 . . . A 114 THR H . 11592 1 1108 . 1 1 114 114 THR HA H 1 4.545 0.032 . 1 . . . A 114 THR HA . 11592 1 1109 . 1 1 114 114 THR HB H 1 4.151 0.007 . 1 . . . A 114 THR HB . 11592 1 1110 . 1 1 114 114 THR N N 15 106.92 0.042 . 1 . . . A 114 THR N . 11592 1 1111 . 1 1 114 114 THR HG21 H 1 0.906 0.081 . 1 . . . A 114 THR HG21 . 11592 1 1112 . 1 1 114 114 THR HG22 H 1 0.906 0.081 . 1 . . . A 114 THR HG22 . 11592 1 1113 . 1 1 114 114 THR HG23 H 1 0.906 0.081 . 1 . . . A 114 THR HG23 . 11592 1 1114 . 1 1 115 115 THR C C 13 173.758 0.019 . 1 . . . A 115 THR C . 11592 1 1115 . 1 1 115 115 THR CA C 13 63.264 0.093 . 1 . . . A 115 THR CA . 11592 1 1116 . 1 1 115 115 THR CB C 13 70.756 0.062 . 1 . . . A 115 THR CB . 11592 1 1117 . 1 1 115 115 THR CG2 C 13 20.961 0 . 1 . . . A 115 THR CG2 . 11592 1 1118 . 1 1 115 115 THR H H 1 7.731 0.014 . 1 . . . A 115 THR H . 11592 1 1119 . 1 1 115 115 THR HA H 1 4.675 0.018 . 1 . . . A 115 THR HA . 11592 1 1120 . 1 1 115 115 THR HB H 1 3.891 0.019 . 1 . . . A 115 THR HB . 11592 1 1121 . 1 1 115 115 THR N N 15 117.642 0.061 . 1 . . . A 115 THR N . 11592 1 1122 . 1 1 116 116 ARG C C 13 176.826 0.013 . 1 . . . A 116 ARG C . 11592 1 1123 . 1 1 116 116 ARG CA C 13 55.396 0.11 . 1 . . . A 116 ARG CA . 11592 1 1124 . 1 1 116 116 ARG CB C 13 33.982 0.111 . 1 . . . A 116 ARG CB . 11592 1 1125 . 1 1 116 116 ARG H H 1 8.424 0.007 . 1 . . . A 116 ARG H . 11592 1 1126 . 1 1 116 116 ARG HA H 1 4.047 0.019 . 1 . . . A 116 ARG HA . 11592 1 1127 . 1 1 116 116 ARG HB2 H 1 1.985 0.014 . 2 . . . A 116 ARG HB2 . 11592 1 1128 . 1 1 116 116 ARG HB3 H 1 1.502 0.012 . 2 . . . A 116 ARG HB3 . 11592 1 1129 . 1 1 116 116 ARG N N 15 128.481 0.067 . 1 . . . A 116 ARG N . 11592 1 1130 . 1 1 117 117 ALA C C 13 177.41 0 . 1 . . . A 117 ALA C . 11592 1 1131 . 1 1 117 117 ALA CA C 13 52.825 0.091 . 1 . . . A 117 ALA CA . 11592 1 1132 . 1 1 117 117 ALA CB C 13 18.263 0.046 . 1 . . . A 117 ALA CB . 11592 1 1133 . 1 1 117 117 ALA H H 1 7.55 0.008 . 1 . . . A 117 ALA H . 11592 1 1134 . 1 1 117 117 ALA HA H 1 3.895 0.03 . 1 . . . A 117 ALA HA . 11592 1 1135 . 1 1 117 117 ALA N N 15 118.348 0.053 . 1 . . . A 117 ALA N . 11592 1 1136 . 1 1 117 117 ALA HB1 H 1 0.203 0.033 . 1 . . . A 117 ALA HB1 . 11592 1 1137 . 1 1 117 117 ALA HB2 H 1 0.203 0.033 . 1 . . . A 117 ALA HB2 . 11592 1 1138 . 1 1 117 117 ALA HB3 H 1 0.203 0.033 . 1 . . . A 117 ALA HB3 . 11592 1 1139 . 1 1 118 118 THR C C 13 173.389 0.019 . 1 . . . A 118 THR C . 11592 1 1140 . 1 1 118 118 THR CA C 13 59.888 0.138 . 1 . . . A 118 THR CA . 11592 1 1141 . 1 1 118 118 THR CB C 13 72.665 0.038 . 1 . . . A 118 THR CB . 11592 1 1142 . 1 1 118 118 THR H H 1 7.138 0.016 . 1 . . . A 118 THR H . 11592 1 1143 . 1 1 118 118 THR HA H 1 4.501 0.015 . 1 . . . A 118 THR HA . 11592 1 1144 . 1 1 118 118 THR HB H 1 4.059 0.016 . 1 . . . A 118 THR HB . 11592 1 1145 . 1 1 118 118 THR N N 15 106.406 0.026 . 1 . . . A 118 THR N . 11592 1 1146 . 1 1 119 119 ALA C C 13 176.348 0.013 . 1 . . . A 119 ALA C . 11592 1 1147 . 1 1 119 119 ALA CA C 13 50.975 0.188 . 1 . . . A 119 ALA CA . 11592 1 1148 . 1 1 119 119 ALA CB C 13 17.683 0.102 . 1 . . . A 119 ALA CB . 11592 1 1149 . 1 1 119 119 ALA H H 1 7.807 0.007 . 1 . . . A 119 ALA H . 11592 1 1150 . 1 1 119 119 ALA HA H 1 3.885 0.023 . 1 . . . A 119 ALA HA . 11592 1 1151 . 1 1 119 119 ALA N N 15 119.047 0.063 . 1 . . . A 119 ALA N . 11592 1 1152 . 1 1 119 119 ALA HB1 H 1 0.771 0.027 . 1 . . . A 119 ALA HB1 . 11592 1 1153 . 1 1 119 119 ALA HB2 H 1 0.771 0.027 . 1 . . . A 119 ALA HB2 . 11592 1 1154 . 1 1 119 119 ALA HB3 H 1 0.771 0.027 . 1 . . . A 119 ALA HB3 . 11592 1 1155 . 1 1 120 120 TYR C C 13 174.06 0 . 1 . . . A 120 TYR C . 11592 1 1156 . 1 1 120 120 TYR CA C 13 56.046 0.153 . 1 . . . A 120 TYR CA . 11592 1 1157 . 1 1 120 120 TYR CB C 13 36.148 0.125 . 1 . . . A 120 TYR CB . 11592 1 1158 . 1 1 120 120 TYR CD1 C 13 132.396 0 . 1 . . . A 120 TYR CD1 . 11592 1 1159 . 1 1 120 120 TYR H H 1 6.977 0.012 . 1 . . . A 120 TYR H . 11592 1 1160 . 1 1 120 120 TYR HA H 1 3.715 0.028 . 1 . . . A 120 TYR HA . 11592 1 1161 . 1 1 120 120 TYR HB2 H 1 2.145 0.021 . 2 . . . A 120 TYR HB2 . 11592 1 1162 . 1 1 120 120 TYR HD2 H 1 6.358 0.024 . 3 . . . A 120 TYR HD2 . 11592 1 1163 . 1 1 120 120 TYR N N 15 119.951 0.031 . 1 . . . A 120 TYR N . 11592 1 1164 . 1 1 121 121 GLY C C 13 168.67 0 . 1 . . . A 121 GLY C . 11592 1 1165 . 1 1 121 121 GLY CA C 13 44.692 0.172 . 1 . . . A 121 GLY CA . 11592 1 1166 . 1 1 121 121 GLY H H 1 8.112 0.016 . 1 . . . A 121 GLY H . 11592 1 1167 . 1 1 121 121 GLY HA3 H 1 2.854 0.018 . 1 . . . A 121 GLY HA3 . 11592 1 1168 . 1 1 121 121 GLY N N 15 117.299 0 . 1 . . . A 121 GLY N . 11592 1 1169 . 1 1 122 122 TYR C C 13 175.796 0.019 . 1 . . . A 122 TYR C . 11592 1 1170 . 1 1 122 122 TYR CA C 13 55.119 0.069 . 1 . . . A 122 TYR CA . 11592 1 1171 . 1 1 122 122 TYR CB C 13 41.764 0.054 . 1 . . . A 122 TYR CB . 11592 1 1172 . 1 1 122 122 TYR CE2 C 13 117.575 0 . 1 . . . A 122 TYR CE2 . 11592 1 1173 . 1 1 122 122 TYR H H 1 7.709 0.012 . 1 . . . A 122 TYR H . 11592 1 1174 . 1 1 122 122 TYR HA H 1 4.781 0.028 . 1 . . . A 122 TYR HA . 11592 1 1175 . 1 1 122 122 TYR HB2 H 1 2.777 0.039 . 2 . . . A 122 TYR HB2 . 11592 1 1176 . 1 1 122 122 TYR HB3 H 1 2.194 0.018 . 2 . . . A 122 TYR HB3 . 11592 1 1177 . 1 1 122 122 TYR HE2 H 1 6.609 0.038 . 1 . . . A 122 TYR HE2 . 11592 1 1178 . 1 1 122 122 TYR N N 15 120.698 0.032 . 1 . . . A 122 TYR N . 11592 1 1179 . 1 1 123 123 SER C C 13 172.46 0.019 . 1 . . . A 123 SER C . 11592 1 1180 . 1 1 123 123 SER CA C 13 56.477 0.476 . 1 . . . A 123 SER CA . 11592 1 1181 . 1 1 123 123 SER CB C 13 63.117 0.133 . 1 . . . A 123 SER CB . 11592 1 1182 . 1 1 123 123 SER H H 1 8.942 0.01 . 1 . . . A 123 SER H . 11592 1 1183 . 1 1 123 123 SER HA H 1 4.703 0.034 . 1 . . . A 123 SER HA . 11592 1 1184 . 1 1 123 123 SER HB2 H 1 3.742 0.024 . 2 . . . A 123 SER HB2 . 11592 1 1185 . 1 1 123 123 SER HB3 H 1 3.237 0.026 . 2 . . . A 123 SER HB3 . 11592 1 1186 . 1 1 123 123 SER N N 15 113.014 0.045 . 1 . . . A 123 SER N . 11592 1 1187 . 1 1 124 124 LEU C C 13 175.235 0.019 . 1 . . . A 124 LEU C . 11592 1 1188 . 1 1 124 124 LEU CA C 13 53.525 0.27 . 1 . . . A 124 LEU CA . 11592 1 1189 . 1 1 124 124 LEU CB C 13 47.362 0.082 . 1 . . . A 124 LEU CB . 11592 1 1190 . 1 1 124 124 LEU CD1 C 13 25.796 0.043 . 1 . . . A 124 LEU CD1 . 11592 1 1191 . 1 1 124 124 LEU CD2 C 13 25.505 0.091 . 1 . . . A 124 LEU CD2 . 11592 1 1192 . 1 1 124 124 LEU H H 1 7.646 0.009 . 1 . . . A 124 LEU H . 11592 1 1193 . 1 1 124 124 LEU HA H 1 4.706 0.019 . 1 . . . A 124 LEU HA . 11592 1 1194 . 1 1 124 124 LEU HB2 H 1 1.538 0.031 . 2 . . . A 124 LEU HB2 . 11592 1 1195 . 1 1 124 124 LEU HB3 H 1 1.152 0.03 . 2 . . . A 124 LEU HB3 . 11592 1 1196 . 1 1 124 124 LEU N N 15 126.178 0.055 . 1 . . . A 124 LEU N . 11592 1 1197 . 1 1 124 124 LEU HD11 H 1 0.408 0.02 . 2 . . . A 124 LEU HD11 . 11592 1 1198 . 1 1 124 124 LEU HD12 H 1 0.408 0.02 . 2 . . . A 124 LEU HD12 . 11592 1 1199 . 1 1 124 124 LEU HD13 H 1 0.408 0.02 . 2 . . . A 124 LEU HD13 . 11592 1 1200 . 1 1 124 124 LEU HD21 H 1 -0.451 0.035 . 2 . . . A 124 LEU HD21 . 11592 1 1201 . 1 1 124 124 LEU HD22 H 1 -0.451 0.035 . 2 . . . A 124 LEU HD22 . 11592 1 1202 . 1 1 124 124 LEU HD23 H 1 -0.451 0.035 . 2 . . . A 124 LEU HD23 . 11592 1 1203 . 1 1 125 125 TRP C C 13 178.663 0.007 . 1 . . . A 125 TRP C . 11592 1 1204 . 1 1 125 125 TRP CA C 13 57.617 0.281 . 1 . . . A 125 TRP CA . 11592 1 1205 . 1 1 125 125 TRP CB C 13 30.799 0.103 . 1 . . . A 125 TRP CB . 11592 1 1206 . 1 1 125 125 TRP CH2 C 13 123.656 0 . 1 . . . A 125 TRP CH2 . 11592 1 1207 . 1 1 125 125 TRP CZ2 C 13 114.683 0.022 . 1 . . . A 125 TRP CZ2 . 11592 1 1208 . 1 1 125 125 TRP H H 1 8.996 0.01 . 1 . . . A 125 TRP H . 11592 1 1209 . 1 1 125 125 TRP HA H 1 4.886 0.026 . 1 . . . A 125 TRP HA . 11592 1 1210 . 1 1 125 125 TRP HB2 H 1 3.323 0.038 . 2 . . . A 125 TRP HB2 . 11592 1 1211 . 1 1 125 125 TRP HB3 H 1 2.998 0.013 . 2 . . . A 125 TRP HB3 . 11592 1 1212 . 1 1 125 125 TRP HE1 H 1 10.039 0.005 . 1 . . . A 125 TRP HE1 . 11592 1 1213 . 1 1 125 125 TRP HH2 H 1 7.174 0.015 . 1 . . . A 125 TRP HH2 . 11592 1 1214 . 1 1 125 125 TRP HZ2 H 1 7.507 0.035 . 1 . . . A 125 TRP HZ2 . 11592 1 1215 . 1 1 125 125 TRP N N 15 123.551 0.068 . 1 . . . A 125 TRP N . 11592 1 1216 . 1 1 125 125 TRP NE1 N 15 129.924 0 . 1 . . . A 125 TRP NE1 . 11592 1 1217 . 1 1 126 126 GLU C C 13 173.367 0.013 . 1 . . . A 126 GLU C . 11592 1 1218 . 1 1 126 126 GLU CA C 13 55.059 0.113 . 1 . . . A 126 GLU CA . 11592 1 1219 . 1 1 126 126 GLU CB C 13 38.709 0.479 . 1 . . . A 126 GLU CB . 11592 1 1220 . 1 1 126 126 GLU H H 1 7.584 0.011 . 1 . . . A 126 GLU H . 11592 1 1221 . 1 1 126 126 GLU HA H 1 5.099 0.018 . 1 . . . A 126 GLU HA . 11592 1 1222 . 1 1 126 126 GLU HB2 H 1 2.316 0.049 . 1 . . . A 126 GLU HB2 . 11592 1 1223 . 1 1 126 126 GLU N N 15 114.999 0.057 . 1 . . . A 126 GLU N . 11592 1 1224 . 1 1 127 127 PHE C C 13 172.601 0.006 . 1 . . . A 127 PHE C . 11592 1 1225 . 1 1 127 127 PHE CA C 13 53.402 0.174 . 1 . . . A 127 PHE CA . 11592 1 1226 . 1 1 127 127 PHE CB C 13 40.079 0.088 . 1 . . . A 127 PHE CB . 11592 1 1227 . 1 1 127 127 PHE CD1 C 13 117.312 0 . 1 . . . A 127 PHE CD1 . 11592 1 1228 . 1 1 127 127 PHE CE2 C 13 121.768 0 . 3 . . . A 127 PHE CE2 . 11592 1 1229 . 1 1 127 127 PHE CE1 C 13 114.036 0 . 3 . . . A 127 PHE CE1 . 11592 1 1230 . 1 1 127 127 PHE CZ C 13 119.51 0.032 . 1 . . . A 127 PHE CZ . 11592 1 1231 . 1 1 127 127 PHE H H 1 8.863 0.008 . 1 . . . A 127 PHE H . 11592 1 1232 . 1 1 127 127 PHE HA H 1 4.861 0.046 . 1 . . . A 127 PHE HA . 11592 1 1233 . 1 1 127 127 PHE HB2 H 1 3.296 0.042 . 2 . . . A 127 PHE HB2 . 11592 1 1234 . 1 1 127 127 PHE HB3 H 1 2.71 0 . 2 . . . A 127 PHE HB3 . 11592 1 1235 . 1 1 127 127 PHE HD2 H 1 6.522 0.029 . 3 . . . A 127 PHE HD2 . 11592 1 1236 . 1 1 127 127 PHE HE1 H 1 5.941 0.038 . 3 . . . A 127 PHE HE1 . 11592 1 1237 . 1 1 127 127 PHE HE2 H 1 6.266 0.036 . 3 . . . A 127 PHE HE2 . 11592 1 1238 . 1 1 127 127 PHE HZ H 1 6.825 0.024 . 1 . . . A 127 PHE HZ . 11592 1 1239 . 1 1 127 127 PHE N N 15 125.917 0.071 . 1 . . . A 127 PHE N . 11592 1 1240 . 1 1 128 128 GLU C C 13 175.751 0.026 . 1 . . . A 128 GLU C . 11592 1 1241 . 1 1 128 128 GLU CA C 13 53.596 0.304 . 1 . . . A 128 GLU CA . 11592 1 1242 . 1 1 128 128 GLU CB C 13 33.014 0.151 . 1 . . . A 128 GLU CB . 11592 1 1243 . 1 1 128 128 GLU H H 1 9.295 0.008 . 1 . . . A 128 GLU H . 11592 1 1244 . 1 1 128 128 GLU HA H 1 4.695 0.01 . 1 . . . A 128 GLU HA . 11592 1 1245 . 1 1 128 128 GLU HB2 H 1 2.195 0.009 . 2 . . . A 128 GLU HB2 . 11592 1 1246 . 1 1 128 128 GLU HB3 H 1 1.758 0.021 . 2 . . . A 128 GLU HB3 . 11592 1 1247 . 1 1 128 128 GLU N N 15 123.371 0.021 . 1 . . . A 128 GLU N . 11592 1 1248 . 1 1 129 129 VAL C C 13 171.922 0.007 . 1 . . . A 129 VAL C . 11592 1 1249 . 1 1 129 129 VAL CA C 13 61.094 0.112 . 1 . . . A 129 VAL CA . 11592 1 1250 . 1 1 129 129 VAL CB C 13 35.976 0.114 . 1 . . . A 129 VAL CB . 11592 1 1251 . 1 1 129 129 VAL CG2 C 13 23.28 0.178 . 1 . . . A 129 VAL CG2 . 11592 1 1252 . 1 1 129 129 VAL H H 1 7.149 0.008 . 1 . . . A 129 VAL H . 11592 1 1253 . 1 1 129 129 VAL HA H 1 4.781 0.027 . 1 . . . A 129 VAL HA . 11592 1 1254 . 1 1 129 129 VAL HB H 1 1.427 0.018 . 1 . . . A 129 VAL HB . 11592 1 1255 . 1 1 129 129 VAL N N 15 119.618 0.013 . 1 . . . A 129 VAL N . 11592 1 1256 . 1 1 129 129 VAL HG11 H 1 1.068 0.018 . 2 . . . A 129 VAL HG11 . 11592 1 1257 . 1 1 129 129 VAL HG12 H 1 1.068 0.018 . 2 . . . A 129 VAL HG12 . 11592 1 1258 . 1 1 129 129 VAL HG13 H 1 1.068 0.018 . 2 . . . A 129 VAL HG13 . 11592 1 1259 . 1 1 129 129 VAL HG21 H 1 0.711 0.018 . 2 . . . A 129 VAL HG21 . 11592 1 1260 . 1 1 129 129 VAL HG22 H 1 0.711 0.018 . 2 . . . A 129 VAL HG22 . 11592 1 1261 . 1 1 129 129 VAL HG23 H 1 0.711 0.018 . 2 . . . A 129 VAL HG23 . 11592 1 1262 . 1 1 130 130 TYR C C 13 174.825 0 . 1 . . . A 130 TYR C . 11592 1 1263 . 1 1 130 130 TYR CA C 13 56.165 0.206 . 1 . . . A 130 TYR CA . 11592 1 1264 . 1 1 130 130 TYR CB C 13 43.041 0.113 . 1 . . . A 130 TYR CB . 11592 1 1265 . 1 1 130 130 TYR CD1 C 13 128.921 0 . 1 . . . A 130 TYR CD1 . 11592 1 1266 . 1 1 130 130 TYR H H 1 9.239 0.008 . 1 . . . A 130 TYR H . 11592 1 1267 . 1 1 130 130 TYR HA H 1 4.996 0.018 . 1 . . . A 130 TYR HA . 11592 1 1268 . 1 1 130 130 TYR HB2 H 1 3.232 0.017 . 2 . . . A 130 TYR HB2 . 11592 1 1269 . 1 1 130 130 TYR HB3 H 1 2.595 0.016 . 2 . . . A 130 TYR HB3 . 11592 1 1270 . 1 1 130 130 TYR HD2 H 1 6.635 0.028 . 1 . . . A 130 TYR HD2 . 11592 1 1271 . 1 1 130 130 TYR N N 15 122.722 0.007 . 1 . . . A 130 TYR N . 11592 1 1272 . 1 1 131 131 GLY C C 13 179.502 0 . 1 . . . A 131 GLY C . 11592 1 1273 . 1 1 131 131 GLY CA C 13 46.431 0.174 . 1 . . . A 131 GLY CA . 11592 1 1274 . 1 1 131 131 GLY H H 1 9.127 0.008 . 1 . . . A 131 GLY H . 11592 1 1275 . 1 1 131 131 GLY HA2 H 1 3.726 0.023 . 2 . . . A 131 GLY HA2 . 11592 1 1276 . 1 1 131 131 GLY HA3 H 1 4.452 0.029 . 2 . . . A 131 GLY HA3 . 11592 1 1277 . 1 1 131 131 GLY N N 15 114.87 0.044 . 1 . . . A 131 GLY N . 11592 1 stop_ save_