data_27692 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27692 _Entry.Title ; Backbone Chemical Shift Assignments for Ca+-Bound Calmodulin Mutant (D21A/D23A/D25A/E32A D57A/D59A/N61A/E68A) Bound to CaV1.2 IQ Motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-16 _Entry.Accession_date 2018-11-16 _Entry.Last_release_date 2018-11-16 _Entry.Original_release_date 2018-11-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 James Ames . . . . 27692 2 Ian Salveson . . . . 27692 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27692 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 27692 '15N chemical shifts' 124 27692 '1H chemical shifts' 538 27692 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 2 . . 2019-04-04 2018-11-16 update BMRB 'update entry citation' 27692 1 . . 2019-03-28 2018-11-16 original author 'original release' 27692 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27692 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-019-09883-0 _Citation.PubMed_ID 30788773 _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of a calmodulin intermediate with two Ca2+ bound in complex with the IQ-motif of voltage-gated Ca2+ channels (CaV1.2) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 233 _Citation.Page_last 237 _Citation.Year 2019 _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 Ian Salveson I. . . . 27692 1 2 David Anderson D. E. . . 27692 1 3 Johannes Hell J. W. . . 27692 1 4 James Ames J. B. . . 27692 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27692 _Assembly.ID 1 _Assembly.Name Calmodulin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Calmodulin 1 $Calmodulin A . yes native no no . . . 27692 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 27692 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADQLTEEQIAEFKEAFSLF AKAGAGTITTKALGTVMRSL GQNPTEAELQDMINEVAAAG AGTIDFPAFLTMMARKMKDT DSEEEIREAFRVFDKDGNGY ISAAELRHVMTNLGEKLTDE EVDEMIREADIDGDGQVNYE EFVQMMTAK ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27692 1 2 . ALA . 27692 1 3 . ASP . 27692 1 4 . GLN . 27692 1 5 . LEU . 27692 1 6 . THR . 27692 1 7 . GLU . 27692 1 8 . GLU . 27692 1 9 . GLN . 27692 1 10 . ILE . 27692 1 11 . ALA . 27692 1 12 . GLU . 27692 1 13 . PHE . 27692 1 14 . LYS . 27692 1 15 . GLU . 27692 1 16 . ALA . 27692 1 17 . PHE . 27692 1 18 . SER . 27692 1 19 . LEU . 27692 1 20 . PHE . 27692 1 21 . ALA . 27692 1 22 . LYS . 27692 1 23 . ALA . 27692 1 24 . GLY . 27692 1 25 . ALA . 27692 1 26 . GLY . 27692 1 27 . THR . 27692 1 28 . ILE . 27692 1 29 . THR . 27692 1 30 . THR . 27692 1 31 . LYS . 27692 1 32 . ALA . 27692 1 33 . LEU . 27692 1 34 . GLY . 27692 1 35 . THR . 27692 1 36 . VAL . 27692 1 37 . MET . 27692 1 38 . ARG . 27692 1 39 . SER . 27692 1 40 . LEU . 27692 1 41 . GLY . 27692 1 42 . GLN . 27692 1 43 . ASN . 27692 1 44 . PRO . 27692 1 45 . THR . 27692 1 46 . GLU . 27692 1 47 . ALA . 27692 1 48 . GLU . 27692 1 49 . LEU . 27692 1 50 . GLN . 27692 1 51 . ASP . 27692 1 52 . MET . 27692 1 53 . ILE . 27692 1 54 . ASN . 27692 1 55 . GLU . 27692 1 56 . VAL . 27692 1 57 . ALA . 27692 1 58 . ALA . 27692 1 59 . ALA . 27692 1 60 . GLY . 27692 1 61 . ALA . 27692 1 62 . GLY . 27692 1 63 . THR . 27692 1 64 . ILE . 27692 1 65 . ASP . 27692 1 66 . PHE . 27692 1 67 . PRO . 27692 1 68 . ALA . 27692 1 69 . PHE . 27692 1 70 . LEU . 27692 1 71 . THR . 27692 1 72 . MET . 27692 1 73 . MET . 27692 1 74 . ALA . 27692 1 75 . ARG . 27692 1 76 . LYS . 27692 1 77 . MET . 27692 1 78 . LYS . 27692 1 79 . ASP . 27692 1 80 . THR . 27692 1 81 . ASP . 27692 1 82 . SER . 27692 1 83 . GLU . 27692 1 84 . GLU . 27692 1 85 . GLU . 27692 1 86 . ILE . 27692 1 87 . ARG . 27692 1 88 . GLU . 27692 1 89 . ALA . 27692 1 90 . PHE . 27692 1 91 . ARG . 27692 1 92 . VAL . 27692 1 93 . PHE . 27692 1 94 . ASP . 27692 1 95 . LYS . 27692 1 96 . ASP . 27692 1 97 . GLY . 27692 1 98 . ASN . 27692 1 99 . GLY . 27692 1 100 . TYR . 27692 1 101 . ILE . 27692 1 102 . SER . 27692 1 103 . ALA . 27692 1 104 . ALA . 27692 1 105 . GLU . 27692 1 106 . LEU . 27692 1 107 . ARG . 27692 1 108 . HIS . 27692 1 109 . VAL . 27692 1 110 . MET . 27692 1 111 . THR . 27692 1 112 . ASN . 27692 1 113 . LEU . 27692 1 114 . GLY . 27692 1 115 . GLU . 27692 1 116 . LYS . 27692 1 117 . LEU . 27692 1 118 . THR . 27692 1 119 . ASP . 27692 1 120 . GLU . 27692 1 121 . GLU . 27692 1 122 . VAL . 27692 1 123 . ASP . 27692 1 124 . GLU . 27692 1 125 . MET . 27692 1 126 . ILE . 27692 1 127 . ARG . 27692 1 128 . GLU . 27692 1 129 . ALA . 27692 1 130 . ASP . 27692 1 131 . ILE . 27692 1 132 . ASP . 27692 1 133 . GLY . 27692 1 134 . ASP . 27692 1 135 . GLY . 27692 1 136 . GLN . 27692 1 137 . VAL . 27692 1 138 . ASN . 27692 1 139 . TYR . 27692 1 140 . GLU . 27692 1 141 . GLU . 27692 1 142 . PHE . 27692 1 143 . VAL . 27692 1 144 . GLN . 27692 1 145 . MET . 27692 1 146 . MET . 27692 1 147 . THR . 27692 1 148 . ALA . 27692 1 149 . LYS . 27692 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27692 1 . ALA 2 2 27692 1 . ASP 3 3 27692 1 . GLN 4 4 27692 1 . LEU 5 5 27692 1 . THR 6 6 27692 1 . GLU 7 7 27692 1 . GLU 8 8 27692 1 . GLN 9 9 27692 1 . ILE 10 10 27692 1 . ALA 11 11 27692 1 . GLU 12 12 27692 1 . PHE 13 13 27692 1 . LYS 14 14 27692 1 . GLU 15 15 27692 1 . ALA 16 16 27692 1 . PHE 17 17 27692 1 . SER 18 18 27692 1 . LEU 19 19 27692 1 . PHE 20 20 27692 1 . ALA 21 21 27692 1 . LYS 22 22 27692 1 . ALA 23 23 27692 1 . GLY 24 24 27692 1 . ALA 25 25 27692 1 . GLY 26 26 27692 1 . THR 27 27 27692 1 . ILE 28 28 27692 1 . THR 29 29 27692 1 . THR 30 30 27692 1 . LYS 31 31 27692 1 . ALA 32 32 27692 1 . LEU 33 33 27692 1 . GLY 34 34 27692 1 . THR 35 35 27692 1 . VAL 36 36 27692 1 . MET 37 37 27692 1 . ARG 38 38 27692 1 . SER 39 39 27692 1 . LEU 40 40 27692 1 . GLY 41 41 27692 1 . GLN 42 42 27692 1 . ASN 43 43 27692 1 . PRO 44 44 27692 1 . THR 45 45 27692 1 . GLU 46 46 27692 1 . ALA 47 47 27692 1 . GLU 48 48 27692 1 . LEU 49 49 27692 1 . GLN 50 50 27692 1 . ASP 51 51 27692 1 . MET 52 52 27692 1 . ILE 53 53 27692 1 . ASN 54 54 27692 1 . GLU 55 55 27692 1 . VAL 56 56 27692 1 . ALA 57 57 27692 1 . ALA 58 58 27692 1 . ALA 59 59 27692 1 . GLY 60 60 27692 1 . ALA 61 61 27692 1 . GLY 62 62 27692 1 . THR 63 63 27692 1 . ILE 64 64 27692 1 . ASP 65 65 27692 1 . PHE 66 66 27692 1 . PRO 67 67 27692 1 . ALA 68 68 27692 1 . PHE 69 69 27692 1 . LEU 70 70 27692 1 . THR 71 71 27692 1 . MET 72 72 27692 1 . MET 73 73 27692 1 . ALA 74 74 27692 1 . ARG 75 75 27692 1 . LYS 76 76 27692 1 . MET 77 77 27692 1 . LYS 78 78 27692 1 . ASP 79 79 27692 1 . THR 80 80 27692 1 . ASP 81 81 27692 1 . SER 82 82 27692 1 . GLU 83 83 27692 1 . GLU 84 84 27692 1 . GLU 85 85 27692 1 . ILE 86 86 27692 1 . ARG 87 87 27692 1 . GLU 88 88 27692 1 . ALA 89 89 27692 1 . PHE 90 90 27692 1 . ARG 91 91 27692 1 . VAL 92 92 27692 1 . PHE 93 93 27692 1 . ASP 94 94 27692 1 . LYS 95 95 27692 1 . ASP 96 96 27692 1 . GLY 97 97 27692 1 . ASN 98 98 27692 1 . GLY 99 99 27692 1 . TYR 100 100 27692 1 . ILE 101 101 27692 1 . SER 102 102 27692 1 . ALA 103 103 27692 1 . ALA 104 104 27692 1 . GLU 105 105 27692 1 . LEU 106 106 27692 1 . ARG 107 107 27692 1 . HIS 108 108 27692 1 . VAL 109 109 27692 1 . MET 110 110 27692 1 . THR 111 111 27692 1 . ASN 112 112 27692 1 . LEU 113 113 27692 1 . GLY 114 114 27692 1 . GLU 115 115 27692 1 . LYS 116 116 27692 1 . LEU 117 117 27692 1 . THR 118 118 27692 1 . ASP 119 119 27692 1 . GLU 120 120 27692 1 . GLU 121 121 27692 1 . VAL 122 122 27692 1 . ASP 123 123 27692 1 . GLU 124 124 27692 1 . MET 125 125 27692 1 . ILE 126 126 27692 1 . ARG 127 127 27692 1 . GLU 128 128 27692 1 . ALA 129 129 27692 1 . ASP 130 130 27692 1 . ILE 131 131 27692 1 . ASP 132 132 27692 1 . GLY 133 133 27692 1 . ASP 134 134 27692 1 . GLY 135 135 27692 1 . GLN 136 136 27692 1 . VAL 137 137 27692 1 . ASN 138 138 27692 1 . TYR 139 139 27692 1 . GLU 140 140 27692 1 . GLU 141 141 27692 1 . PHE 142 142 27692 1 . VAL 143 143 27692 1 . GLN 144 144 27692 1 . MET 145 145 27692 1 . MET 146 146 27692 1 . THR 147 147 27692 1 . ALA 148 148 27692 1 . LYS 149 149 27692 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 27692 _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 $Calmodulin . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27692 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 27692 _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 $Calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET 11' . . . 27692 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27692 _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 Calmodulin '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Calmodulin . . 0.75 . . mM . . . . 27692 1 2 'CaV1.2 IQ motif' 'natural abundance' . . . . . . 1 . . mM . . . . 27692 1 3 CaCl2 'natural abundance' . . . . . . 2mM . . mM . . . . 27692 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27692 _Sample.ID 2 _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 Calmodulin '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Calmodulin . . 0.5 . . mM . . . . 27692 2 2 'CaV1.2 IQ motif' 'natural abundance' . . . . . . 0.75 . . mM . . . . 27692 2 3 CaCl2 'natural abundance' . . . . . . 2 . . mM . . . . 27692 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 27692 _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 'ionic strength' 0.2338 . M 27692 1 pH 7.5 . pH 27692 1 pressure 1 . atm 27692 1 temperature 303 . K 27692 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27692 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15992 . M 27692 2 pH 7.5 . pH 27692 2 pressure 1 . atm 27692 2 temperature 303 . K 27692 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27692 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27692 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27692 1 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 27692 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27692 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27692 _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 . 600 . . . 27692 1 2 spectrometer_2 Bruker Avance . 800 . . . 27692 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 27692 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27692 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27692 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27692 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27692 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27692 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 27692 _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 . . . . . 27692 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27692 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27692 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 27692 _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' . . . 27692 1 2 '3D HNCO' . . . 27692 1 3 '3D HNCACB' . . . 27692 1 4 '3D CBCA(CO)NH' . . . 27692 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.544 0 . 1 . . . . . 1 MET HA . 27692 1 2 . 1 1 1 1 MET HB3 H 1 2.03 0 . 2 . . . . . 1 MET HB3 . 27692 1 3 . 1 1 1 1 MET C C 13 176.059 0 . 1 . . . . . 1 MET C . 27692 1 4 . 1 1 1 1 MET CA C 13 54.211 0 . 1 . . . . . 1 MET CA . 27692 1 5 . 1 1 1 1 MET CB C 13 33.379 0 . 1 . . . . . 1 MET CB . 27692 1 6 . 1 1 2 2 ALA H H 1 8.539 0 . 1 . . . . . 2 ALA H . 27692 1 7 . 1 1 2 2 ALA HA H 1 4.172 0 . 1 . . . . . 2 ALA HA . 27692 1 8 . 1 1 2 2 ALA HB1 H 1 1.346 0 . 1 . . . . . 2 ALA HB . 27692 1 9 . 1 1 2 2 ALA HB2 H 1 1.346 0 . 1 . . . . . 2 ALA HB . 27692 1 10 . 1 1 2 2 ALA HB3 H 1 1.346 0 . 1 . . . . . 2 ALA HB . 27692 1 11 . 1 1 2 2 ALA C C 13 177.505 0 . 1 . . . . . 2 ALA C . 27692 1 12 . 1 1 2 2 ALA CA C 13 53.34 0.05 . 1 . . . . . 2 ALA CA . 27692 1 13 . 1 1 2 2 ALA CB C 13 18.951 0.05 . 1 . . . . . 2 ALA CB . 27692 1 14 . 1 1 2 2 ALA N N 15 124.591 0.03 . 1 . . . . . 2 ALA N . 27692 1 15 . 1 1 3 3 ASP H H 1 8.164 0 . 1 . . . . . 3 ASP H . 27692 1 16 . 1 1 3 3 ASP HA H 1 4.618 0 . 1 . . . . . 3 ASP HA . 27692 1 17 . 1 1 3 3 ASP HB2 H 1 2.647 0 . 2 . . . . . 3 ASP HB2 . 27692 1 18 . 1 1 3 3 ASP C C 13 175.582 0 . 1 . . . . . 3 ASP C . 27692 1 19 . 1 1 3 3 ASP CA C 13 54.853 0.08 . 1 . . . . . 3 ASP CA . 27692 1 20 . 1 1 3 3 ASP CB C 13 41.156 0.26 . 1 . . . . . 3 ASP CB . 27692 1 21 . 1 1 3 3 ASP N N 15 117.214 0.02 . 1 . . . . . 3 ASP N . 27692 1 22 . 1 1 4 4 GLN H H 1 8.207 0.01 . 1 . . . . . 4 GLN H . 27692 1 23 . 1 1 4 4 GLN HA H 1 4.406 0 . 1 . . . . . 4 GLN HA . 27692 1 24 . 1 1 4 4 GLN HB2 H 1 2.083 0 . 2 . . . . . 4 GLN HB2 . 27692 1 25 . 1 1 4 4 GLN C C 13 175.634 0 . 1 . . . . . 4 GLN C . 27692 1 26 . 1 1 4 4 GLN CA C 13 55.391 0.04 . 1 . . . . . 4 GLN CA . 27692 1 27 . 1 1 4 4 GLN CB C 13 30.206 0.01 . 1 . . . . . 4 GLN CB . 27692 1 28 . 1 1 4 4 GLN N N 15 118.655 0.03 . 1 . . . . . 4 GLN N . 27692 1 29 . 1 1 5 5 LEU H H 1 8.257 0 . 1 . . . . . 5 LEU H . 27692 1 30 . 1 1 5 5 LEU HA H 1 4.607 0 . 1 . . . . . 5 LEU HA . 27692 1 31 . 1 1 5 5 LEU HB2 H 1 1.721 0 . 2 . . . . . 5 LEU HB2 . 27692 1 32 . 1 1 5 5 LEU HB3 H 1 1.426 0 . 2 . . . . . 5 LEU HB3 . 27692 1 33 . 1 1 5 5 LEU HG H 1 1.68 0.02 . 1 . . . . . 5 LEU HG . 27692 1 34 . 1 1 5 5 LEU HD11 H 1 0.877 0.01 . 2 . . . . . 5 LEU HD1 . 27692 1 35 . 1 1 5 5 LEU HD12 H 1 0.877 0.01 . 2 . . . . . 5 LEU HD1 . 27692 1 36 . 1 1 5 5 LEU HD13 H 1 0.877 0.01 . 2 . . . . . 5 LEU HD1 . 27692 1 37 . 1 1 5 5 LEU C C 13 177.453 0 . 1 . . . . . 5 LEU C . 27692 1 38 . 1 1 5 5 LEU CA C 13 54.485 0.05 . 1 . . . . . 5 LEU CA . 27692 1 39 . 1 1 5 5 LEU CB C 13 43.377 0.03 . 1 . . . . . 5 LEU CB . 27692 1 40 . 1 1 5 5 LEU CG C 13 26.961 0.09 . 1 . . . . . 5 LEU CG . 27692 1 41 . 1 1 5 5 LEU CD1 C 13 23.51 0.12 . 1 . . . . . 5 LEU CD1 . 27692 1 42 . 1 1 5 5 LEU N N 15 122.105 0.02 . 1 . . . . . 5 LEU N . 27692 1 43 . 1 1 6 6 THR H H 1 8.659 0 . 1 . . . . . 6 THR H . 27692 1 44 . 1 1 6 6 THR HA H 1 4.434 0.01 . 1 . . . . . 6 THR HA . 27692 1 45 . 1 1 6 6 THR HB H 1 4.726 0 . 1 . . . . . 6 THR HB . 27692 1 46 . 1 1 6 6 THR HG21 H 1 1.36 0 . 1 . . . . . 6 THR HG2 . 27692 1 47 . 1 1 6 6 THR HG22 H 1 1.36 0 . 1 . . . . . 6 THR HG2 . 27692 1 48 . 1 1 6 6 THR HG23 H 1 1.36 0 . 1 . . . . . 6 THR HG2 . 27692 1 49 . 1 1 6 6 THR C C 13 175.138 0 . 1 . . . . . 6 THR C . 27692 1 50 . 1 1 6 6 THR CA C 13 60.598 0.07 . 1 . . . . . 6 THR CA . 27692 1 51 . 1 1 6 6 THR CB C 13 71.223 0.07 . 1 . . . . . 6 THR CB . 27692 1 52 . 1 1 6 6 THR CG2 C 13 21.946 0 . 1 . . . . . 6 THR CG2 . 27692 1 53 . 1 1 6 6 THR N N 15 113.03 0.04 . 1 . . . . . 6 THR N . 27692 1 54 . 1 1 7 7 GLU H H 1 8.847 0.04 . 1 . . . . . 7 GLU H . 27692 1 55 . 1 1 7 7 GLU HA H 1 3.676 0 . 1 . . . . . 7 GLU HA . 27692 1 56 . 1 1 7 7 GLU HB2 H 1 2.034 0 . 2 . . . . . 7 GLU HB2 . 27692 1 57 . 1 1 7 7 GLU C C 13 180.7 0 . 1 . . . . . 7 GLU C . 27692 1 58 . 1 1 7 7 GLU CA C 13 60.32 0 . 1 . . . . . 7 GLU CA . 27692 1 59 . 1 1 7 7 GLU CB C 13 29.011 0 . 1 . . . . . 7 GLU CB . 27692 1 60 . 1 1 7 7 GLU N N 15 120.659 0.07 . 1 . . . . . 7 GLU N . 27692 1 61 . 1 1 8 8 GLU H H 1 8.787 0.01 . 1 . . . . . 8 GLU H . 27692 1 62 . 1 1 8 8 GLU HA H 1 4.022 0 . 1 . . . . . 8 GLU HA . 27692 1 63 . 1 1 8 8 GLU HB2 H 1 2.101 0 . 2 . . . . . 8 GLU HB2 . 27692 1 64 . 1 1 8 8 GLU C C 13 177.298 0 . 1 . . . . . 8 GLU C . 27692 1 65 . 1 1 8 8 GLU CA C 13 58.605 0 . 1 . . . . . 8 GLU CA . 27692 1 66 . 1 1 8 8 GLU CB C 13 29.758 0 . 1 . . . . . 8 GLU CB . 27692 1 67 . 1 1 8 8 GLU N N 15 119.873 0.01 . 1 . . . . . 8 GLU N . 27692 1 68 . 1 1 9 9 GLN H H 1 7.347 0.01 . 1 . . . . . 9 GLN H . 27692 1 69 . 1 1 9 9 GLN CA C 13 52.163 0 . 1 . . . . . 9 GLN CA . 27692 1 70 . 1 1 9 9 GLN CB C 13 29.859 0 . 1 . . . . . 9 GLN CB . 27692 1 71 . 1 1 9 9 GLN N N 15 118.874 0.02 . 1 . . . . . 9 GLN N . 27692 1 72 . 1 1 10 10 ILE HA H 1 3.482 0 . 1 . . . . . 10 ILE HA . 27692 1 73 . 1 1 10 10 ILE HB H 1 1.861 0.01 . 1 . . . . . 10 ILE HB . 27692 1 74 . 1 1 10 10 ILE HG21 H 1 1.109 0 . 1 . . . . . 10 ILE HG2 . 27692 1 75 . 1 1 10 10 ILE HG22 H 1 1.109 0 . 1 . . . . . 10 ILE HG2 . 27692 1 76 . 1 1 10 10 ILE HG23 H 1 1.109 0 . 1 . . . . . 10 ILE HG2 . 27692 1 77 . 1 1 10 10 ILE HD11 H 1 0.801 0 . 1 . . . . . 10 ILE HD1 . 27692 1 78 . 1 1 10 10 ILE HD12 H 1 0.801 0 . 1 . . . . . 10 ILE HD1 . 27692 1 79 . 1 1 10 10 ILE HD13 H 1 0.801 0 . 1 . . . . . 10 ILE HD1 . 27692 1 80 . 1 1 10 10 ILE C C 13 177.674 0 . 1 . . . . . 10 ILE C . 27692 1 81 . 1 1 10 10 ILE CA C 13 66.7 0.05 . 1 . . . . . 10 ILE CA . 27692 1 82 . 1 1 10 10 ILE CB C 13 37.94 0.03 . 1 . . . . . 10 ILE CB . 27692 1 83 . 1 1 10 10 ILE CG1 C 13 30.138 0 . 1 . . . . . 10 ILE CG1 . 27692 1 84 . 1 1 10 10 ILE CG2 C 13 17.286 0.05 . 1 . . . . . 10 ILE CG2 . 27692 1 85 . 1 1 10 10 ILE CD1 C 13 13.263 0.03 . 1 . . . . . 10 ILE CD1 . 27692 1 86 . 1 1 11 11 ALA H H 1 7.96 0 . 1 . . . . . 11 ALA H . 27692 1 87 . 1 1 11 11 ALA HA H 1 4.164 0 . 1 . . . . . 11 ALA HA . 27692 1 88 . 1 1 11 11 ALA HB1 H 1 1.502 0 . 1 . . . . . 11 ALA HB . 27692 1 89 . 1 1 11 11 ALA HB2 H 1 1.502 0 . 1 . . . . . 11 ALA HB . 27692 1 90 . 1 1 11 11 ALA HB3 H 1 1.502 0 . 1 . . . . . 11 ALA HB . 27692 1 91 . 1 1 11 11 ALA C C 13 180.736 0 . 1 . . . . . 11 ALA C . 27692 1 92 . 1 1 11 11 ALA CA C 13 55.414 0.01 . 1 . . . . . 11 ALA CA . 27692 1 93 . 1 1 11 11 ALA CB C 13 17.949 0.05 . 1 . . . . . 11 ALA CB . 27692 1 94 . 1 1 11 11 ALA N N 15 120.836 0.02 . 1 . . . . . 11 ALA N . 27692 1 95 . 1 1 12 12 GLU H H 1 7.785 0 . 1 . . . . . 12 GLU H . 27692 1 96 . 1 1 12 12 GLU HA H 1 4.004 0 . 1 . . . . . 12 GLU HA . 27692 1 97 . 1 1 12 12 GLU HB2 H 1 2.569 0 . 2 . . . . . 12 GLU HB2 . 27692 1 98 . 1 1 12 12 GLU HB3 H 1 1.849 0 . 2 . . . . . 12 GLU HB3 . 27692 1 99 . 1 1 12 12 GLU C C 13 178.368 0 . 1 . . . . . 12 GLU C . 27692 1 100 . 1 1 12 12 GLU CA C 13 59.179 0.13 . 1 . . . . . 12 GLU CA . 27692 1 101 . 1 1 12 12 GLU CB C 13 29.124 0.17 . 1 . . . . . 12 GLU CB . 27692 1 102 . 1 1 12 12 GLU N N 15 120.105 0.03 . 1 . . . . . 12 GLU N . 27692 1 103 . 1 1 13 13 PHE H H 1 8.575 0 . 1 . . . . . 13 PHE H . 27692 1 104 . 1 1 13 13 PHE CA C 13 61.465 0 . 1 . . . . . 13 PHE CA . 27692 1 105 . 1 1 13 13 PHE CB C 13 39.651 0 . 1 . . . . . 13 PHE CB . 27692 1 106 . 1 1 13 13 PHE N N 15 122.655 0.01 . 1 . . . . . 13 PHE N . 27692 1 107 . 1 1 15 15 GLU HA H 1 4.043 0 . 1 . . . . . 15 GLU HA . 27692 1 108 . 1 1 15 15 GLU HB2 H 1 2.171 0 . 2 . . . . . 15 GLU HB2 . 27692 1 109 . 1 1 15 15 GLU C C 13 178.863 0 . 1 . . . . . 15 GLU C . 27692 1 110 . 1 1 15 15 GLU CA C 13 59.771 0 . 1 . . . . . 15 GLU CA . 27692 1 111 . 1 1 15 15 GLU CB C 13 29.151 0 . 1 . . . . . 15 GLU CB . 27692 1 112 . 1 1 16 16 ALA H H 1 7.73 0.01 . 1 . . . . . 16 ALA H . 27692 1 113 . 1 1 16 16 ALA HA H 1 4.3 0 . 1 . . . . . 16 ALA HA . 27692 1 114 . 1 1 16 16 ALA HB1 H 1 1.696 0 . 1 . . . . . 16 ALA HB . 27692 1 115 . 1 1 16 16 ALA HB2 H 1 1.696 0 . 1 . . . . . 16 ALA HB . 27692 1 116 . 1 1 16 16 ALA HB3 H 1 1.696 0 . 1 . . . . . 16 ALA HB . 27692 1 117 . 1 1 16 16 ALA C C 13 179.141 0 . 1 . . . . . 16 ALA C . 27692 1 118 . 1 1 16 16 ALA CA C 13 55.072 0.02 . 1 . . . . . 16 ALA CA . 27692 1 119 . 1 1 16 16 ALA CB C 13 19.101 0.04 . 1 . . . . . 16 ALA CB . 27692 1 120 . 1 1 16 16 ALA N N 15 121.174 0.06 . 1 . . . . . 16 ALA N . 27692 1 121 . 1 1 17 17 PHE H H 1 8.67 0 . 1 . . . . . 17 PHE H . 27692 1 122 . 1 1 17 17 PHE HA H 1 3.735 0 . 1 . . . . . 17 PHE HA . 27692 1 123 . 1 1 17 17 PHE C C 13 177.829 0 . 1 . . . . . 17 PHE C . 27692 1 124 . 1 1 17 17 PHE CA C 13 62.253 0.06 . 1 . . . . . 17 PHE CA . 27692 1 125 . 1 1 17 17 PHE CB C 13 40.678 0.06 . 1 . . . . . 17 PHE CB . 27692 1 126 . 1 1 17 17 PHE N N 15 117.56 0.01 . 1 . . . . . 17 PHE N . 27692 1 127 . 1 1 18 18 SER H H 1 8.374 0 . 1 . . . . . 18 SER H . 27692 1 128 . 1 1 18 18 SER HA H 1 4.081 0 . 1 . . . . . 18 SER HA . 27692 1 129 . 1 1 18 18 SER C C 13 175.236 0 . 1 . . . . . 18 SER C . 27692 1 130 . 1 1 18 18 SER CA C 13 61.849 0.03 . 1 . . . . . 18 SER CA . 27692 1 131 . 1 1 18 18 SER CB C 13 63.328 0.04 . 1 . . . . . 18 SER CB . 27692 1 132 . 1 1 18 18 SER N N 15 112.125 0.05 . 1 . . . . . 18 SER N . 27692 1 133 . 1 1 19 19 LEU H H 1 7.401 0.01 . 1 . . . . . 19 LEU H . 27692 1 134 . 1 1 19 19 LEU HA H 1 3.971 0 . 1 . . . . . 19 LEU HA . 27692 1 135 . 1 1 19 19 LEU HB2 H 1 1.674 0.01 . 2 . . . . . 19 LEU HB2 . 27692 1 136 . 1 1 19 19 LEU HG H 1 1.067 0.03 . 1 . . . . . 19 LEU HG . 27692 1 137 . 1 1 19 19 LEU HD11 H 1 0.724 0.01 . 2 . . . . . 19 LEU HD1 . 27692 1 138 . 1 1 19 19 LEU HD12 H 1 0.724 0.01 . 2 . . . . . 19 LEU HD1 . 27692 1 139 . 1 1 19 19 LEU HD13 H 1 0.724 0.01 . 2 . . . . . 19 LEU HD1 . 27692 1 140 . 1 1 19 19 LEU HD21 H 1 0.821 0.02 . 2 . . . . . 19 LEU HD2 . 27692 1 141 . 1 1 19 19 LEU HD22 H 1 0.821 0.02 . 2 . . . . . 19 LEU HD2 . 27692 1 142 . 1 1 19 19 LEU HD23 H 1 0.821 0.02 . 2 . . . . . 19 LEU HD2 . 27692 1 143 . 1 1 19 19 LEU C C 13 178.014 0 . 1 . . . . . 19 LEU C . 27692 1 144 . 1 1 19 19 LEU CA C 13 57.199 0.08 . 1 . . . . . 19 LEU CA . 27692 1 145 . 1 1 19 19 LEU CB C 13 41.756 0.05 . 1 . . . . . 19 LEU CB . 27692 1 146 . 1 1 19 19 LEU CG C 13 26.425 0.11 . 1 . . . . . 19 LEU CG . 27692 1 147 . 1 1 19 19 LEU CD1 C 13 23.21 0.08 . 1 . . . . . 19 LEU CD1 . 27692 1 148 . 1 1 19 19 LEU CD2 C 13 24.22 0.17 . 1 . . . . . 19 LEU CD2 . 27692 1 149 . 1 1 19 19 LEU N N 15 121.151 0.02 . 1 . . . . . 19 LEU N . 27692 1 150 . 1 1 20 20 PHE H H 1 7.16 0.01 . 1 . . . . . 20 PHE H . 27692 1 151 . 1 1 20 20 PHE HA H 1 4.358 0 . 1 . . . . . 20 PHE HA . 27692 1 152 . 1 1 20 20 PHE HB2 H 1 2.957 0 . 2 . . . . . 20 PHE HB2 . 27692 1 153 . 1 1 20 20 PHE C C 13 175.449 0 . 1 . . . . . 20 PHE C . 27692 1 154 . 1 1 20 20 PHE CA C 13 58.686 0.06 . 1 . . . . . 20 PHE CA . 27692 1 155 . 1 1 20 20 PHE CB C 13 41.169 0.06 . 1 . . . . . 20 PHE CB . 27692 1 156 . 1 1 20 20 PHE N N 15 114.734 0.02 . 1 . . . . . 20 PHE N . 27692 1 157 . 1 1 21 21 ALA H H 1 7.554 0.01 . 1 . . . . . 21 ALA H . 27692 1 158 . 1 1 21 21 ALA HA H 1 4.323 0 . 1 . . . . . 21 ALA HA . 27692 1 159 . 1 1 21 21 ALA HB1 H 1 1.405 0 . 1 . . . . . 21 ALA HB . 27692 1 160 . 1 1 21 21 ALA HB2 H 1 1.405 0 . 1 . . . . . 21 ALA HB . 27692 1 161 . 1 1 21 21 ALA HB3 H 1 1.405 0 . 1 . . . . . 21 ALA HB . 27692 1 162 . 1 1 21 21 ALA C C 13 176.668 0 . 1 . . . . . 21 ALA C . 27692 1 163 . 1 1 21 21 ALA CA C 13 52.901 0 . 1 . . . . . 21 ALA CA . 27692 1 164 . 1 1 21 21 ALA CB C 13 19.117 0.06 . 1 . . . . . 21 ALA CB . 27692 1 165 . 1 1 21 21 ALA N N 15 122.375 0.02 . 1 . . . . . 21 ALA N . 27692 1 166 . 1 1 22 22 LYS H H 1 7.719 0 . 1 . . . . . 22 LYS H . 27692 1 167 . 1 1 22 22 LYS HA H 1 4.884 0 . 1 . . . . . 22 LYS HA . 27692 1 168 . 1 1 22 22 LYS HB2 H 1 1.723 0 . 2 . . . . . 22 LYS HB2 . 27692 1 169 . 1 1 22 22 LYS N N 15 125.54 0.04 . 1 . . . . . 22 LYS N . 27692 1 170 . 1 1 23 23 ALA H H 1 9.148 0 . 1 . . . . . 23 ALA H . 27692 1 171 . 1 1 23 23 ALA HA H 1 4.3 0 . 1 . . . . . 23 ALA HA . 27692 1 172 . 1 1 23 23 ALA HB1 H 1 1.446 0.01 . 1 . . . . . 23 ALA HB . 27692 1 173 . 1 1 23 23 ALA HB2 H 1 1.446 0.01 . 1 . . . . . 23 ALA HB . 27692 1 174 . 1 1 23 23 ALA HB3 H 1 1.446 0.01 . 1 . . . . . 23 ALA HB . 27692 1 175 . 1 1 23 23 ALA C C 13 178.853 0 . 1 . . . . . 23 ALA C . 27692 1 176 . 1 1 23 23 ALA CA C 13 53.213 0.07 . 1 . . . . . 23 ALA CA . 27692 1 177 . 1 1 23 23 ALA CB C 13 18.579 0.02 . 1 . . . . . 23 ALA CB . 27692 1 178 . 1 1 23 23 ALA N N 15 125.526 0.02 . 1 . . . . . 23 ALA N . 27692 1 179 . 1 1 24 24 GLY H H 1 8.232 0.01 . 1 . . . . . 24 GLY H . 27692 1 180 . 1 1 24 24 GLY HA2 H 1 4.069 0 . 1 . . . . . 24 GLY HA . 27692 1 181 . 1 1 24 24 GLY HA3 H 1 4.069 0 . 1 . . . . . 24 GLY HA . 27692 1 182 . 1 1 24 24 GLY C C 13 174.417 0 . 1 . . . . . 24 GLY C . 27692 1 183 . 1 1 24 24 GLY CA C 13 45.835 0.04 . 1 . . . . . 24 GLY CA . 27692 1 184 . 1 1 24 24 GLY N N 15 107.599 0.01 . 1 . . . . . 24 GLY N . 27692 1 185 . 1 1 25 25 ALA H H 1 8.026 0 . 1 . . . . . 25 ALA H . 27692 1 186 . 1 1 25 25 ALA HA H 1 4.463 0 . 1 . . . . . 25 ALA HA . 27692 1 187 . 1 1 25 25 ALA HB1 H 1 1.451 0 . 1 . . . . . 25 ALA HB . 27692 1 188 . 1 1 25 25 ALA HB2 H 1 1.451 0 . 1 . . . . . 25 ALA HB . 27692 1 189 . 1 1 25 25 ALA HB3 H 1 1.451 0 . 1 . . . . . 25 ALA HB . 27692 1 190 . 1 1 25 25 ALA C C 13 178.503 0 . 1 . . . . . 25 ALA C . 27692 1 191 . 1 1 25 25 ALA CA C 13 52.831 0.02 . 1 . . . . . 25 ALA CA . 27692 1 192 . 1 1 25 25 ALA CB C 13 19.831 0.26 . 1 . . . . . 25 ALA CB . 27692 1 193 . 1 1 25 25 ALA N N 15 123.146 0.01 . 1 . . . . . 25 ALA N . 27692 1 194 . 1 1 26 26 GLY H H 1 8.508 0 . 1 . . . . . 26 GLY H . 27692 1 195 . 1 1 26 26 GLY C C 13 173.717 0 . 1 . . . . . 26 GLY C . 27692 1 196 . 1 1 26 26 GLY CA C 13 46.221 0.01 . 1 . . . . . 26 GLY CA . 27692 1 197 . 1 1 26 26 GLY N N 15 104.769 0.03 . 1 . . . . . 26 GLY N . 27692 1 198 . 1 1 27 27 THR H H 1 7.169 0.01 . 1 . . . . . 27 THR H . 27692 1 199 . 1 1 27 27 THR CA C 13 59.205 0 . 1 . . . . . 27 THR CA . 27692 1 200 . 1 1 27 27 THR CB C 13 72.547 0 . 1 . . . . . 27 THR CB . 27692 1 201 . 1 1 27 27 THR N N 15 106.135 0.07 . 1 . . . . . 27 THR N . 27692 1 202 . 1 1 28 28 ILE HA H 1 4.836 0 . 1 . . . . . 28 ILE HA . 27692 1 203 . 1 1 28 28 ILE HB H 1 1.522 0 . 1 . . . . . 28 ILE HB . 27692 1 204 . 1 1 28 28 ILE HD11 H 1 0.063 0 . 1 . . . . . 28 ILE HD1 . 27692 1 205 . 1 1 28 28 ILE HD12 H 1 0.063 0 . 1 . . . . . 28 ILE HD1 . 27692 1 206 . 1 1 28 28 ILE HD13 H 1 0.063 0 . 1 . . . . . 28 ILE HD1 . 27692 1 207 . 1 1 28 28 ILE C C 13 178.028 0 . 1 . . . . . 28 ILE C . 27692 1 208 . 1 1 28 28 ILE CA C 13 54.312 0 . 1 . . . . . 28 ILE CA . 27692 1 209 . 1 1 28 28 ILE CB C 13 44.302 0 . 1 . . . . . 28 ILE CB . 27692 1 210 . 1 1 28 28 ILE CD1 C 13 16.236 0 . 1 . . . . . 28 ILE CD1 . 27692 1 211 . 1 1 29 29 THR H H 1 9.262 0.04 . 1 . . . . . 29 THR H . 27692 1 212 . 1 1 29 29 THR HA H 1 4.752 0.01 . 1 . . . . . 29 THR HA . 27692 1 213 . 1 1 29 29 THR HG21 H 1 1.269 0 . 1 . . . . . 29 THR HG2 . 27692 1 214 . 1 1 29 29 THR HG22 H 1 1.269 0 . 1 . . . . . 29 THR HG2 . 27692 1 215 . 1 1 29 29 THR HG23 H 1 1.269 0 . 1 . . . . . 29 THR HG2 . 27692 1 216 . 1 1 29 29 THR C C 13 177.185 0 . 1 . . . . . 29 THR C . 27692 1 217 . 1 1 29 29 THR CA C 13 60.444 0.26 . 1 . . . . . 29 THR CA . 27692 1 218 . 1 1 29 29 THR CB C 13 71.291 0.09 . 1 . . . . . 29 THR CB . 27692 1 219 . 1 1 29 29 THR CG2 C 13 21.94 0.01 . 1 . . . . . 29 THR CG . 27692 1 220 . 1 1 29 29 THR N N 15 114.535 0.09 . 1 . . . . . 29 THR N . 27692 1 221 . 1 1 30 30 THR H H 1 8.218 0.01 . 1 . . . . . 30 THR H . 27692 1 222 . 1 1 30 30 THR CA C 13 65.526 0 . 1 . . . . . 30 THR CA . 27692 1 223 . 1 1 30 30 THR CB C 13 67.627 0 . 1 . . . . . 30 THR CB . 27692 1 224 . 1 1 30 30 THR N N 15 110.944 0.04 . 1 . . . . . 30 THR N . 27692 1 225 . 1 1 33 33 LEU HA H 1 3.808 0.01 . 1 . . . . . 33 LEU HA . 27692 1 226 . 1 1 33 33 LEU HB2 H 1 1.926 0 . 2 . . . . . 33 LEU HB2 . 27692 1 227 . 1 1 33 33 LEU HB3 H 1 1.369 0 . 2 . . . . . 33 LEU HB3 . 27692 1 228 . 1 1 33 33 LEU HD11 H 1 0.959 0.01 . 2 . . . . . 33 LEU HD1 . 27692 1 229 . 1 1 33 33 LEU HD12 H 1 0.959 0.01 . 2 . . . . . 33 LEU HD1 . 27692 1 230 . 1 1 33 33 LEU HD13 H 1 0.959 0.01 . 2 . . . . . 33 LEU HD1 . 27692 1 231 . 1 1 33 33 LEU HD21 H 1 1.087 0 . 2 . . . . . 33 LEU HD2 . 27692 1 232 . 1 1 33 33 LEU HD22 H 1 1.087 0 . 2 . . . . . 33 LEU HD2 . 27692 1 233 . 1 1 33 33 LEU HD23 H 1 1.087 0 . 2 . . . . . 33 LEU HD2 . 27692 1 234 . 1 1 33 33 LEU C C 13 177.941 0 . 1 . . . . . 33 LEU C . 27692 1 235 . 1 1 33 33 LEU CA C 13 58.806 0.1 . 1 . . . . . 33 LEU CA . 27692 1 236 . 1 1 33 33 LEU CB C 13 41.899 0.06 . 1 . . . . . 33 LEU CB . 27692 1 237 . 1 1 33 33 LEU CD1 C 13 26.644 0.01 . 1 . . . . . 33 LEU CD1 . 27692 1 238 . 1 1 34 34 GLY H H 1 8.743 0 . 1 . . . . . 34 GLY H . 27692 1 239 . 1 1 34 34 GLY HA2 H 1 3.913 0 . 2 . . . . . 34 GLY HA2 . 27692 1 240 . 1 1 34 34 GLY HA3 H 1 3.527 0 . 2 . . . . . 34 GLY HA3 . 27692 1 241 . 1 1 34 34 GLY C C 13 175.033 0 . 1 . . . . . 34 GLY C . 27692 1 242 . 1 1 34 34 GLY CA C 13 48.105 0.07 . 1 . . . . . 34 GLY CA . 27692 1 243 . 1 1 34 34 GLY N N 15 105.681 0.05 . 1 . . . . . 34 GLY N . 27692 1 244 . 1 1 35 35 THR H H 1 7.537 0.01 . 1 . . . . . 35 THR H . 27692 1 245 . 1 1 35 35 THR HA H 1 3.974 0 . 1 . . . . . 35 THR HA . 27692 1 246 . 1 1 35 35 THR HB H 1 3.798 0 . 1 . . . . . 35 THR HB . 27692 1 247 . 1 1 35 35 THR HG21 H 1 1.085 0 . 1 . . . . . 35 THR HG2 . 27692 1 248 . 1 1 35 35 THR HG22 H 1 1.085 0 . 1 . . . . . 35 THR HG2 . 27692 1 249 . 1 1 35 35 THR HG23 H 1 1.085 0 . 1 . . . . . 35 THR HG2 . 27692 1 250 . 1 1 35 35 THR C C 13 176.87 0 . 1 . . . . . 35 THR C . 27692 1 251 . 1 1 35 35 THR CA C 13 66.395 0.01 . 1 . . . . . 35 THR CA . 27692 1 252 . 1 1 35 35 THR CB C 13 68.544 0.11 . 1 . . . . . 35 THR CB . 27692 1 253 . 1 1 35 35 THR CG2 C 13 22.498 0.05 . 1 . . . . . 35 THR CG2 . 27692 1 254 . 1 1 35 35 THR N N 15 118.345 0.03 . 1 . . . . . 35 THR N . 27692 1 255 . 1 1 36 36 VAL H H 1 7.846 0 . 1 . . . . . 36 VAL H . 27692 1 256 . 1 1 36 36 VAL HA H 1 3.277 0 . 1 . . . . . 36 VAL HA . 27692 1 257 . 1 1 36 36 VAL HB H 1 1.928 0.02 . 1 . . . . . 36 VAL HB . 27692 1 258 . 1 1 36 36 VAL HG11 H 1 0.544 0 . 1 . . . . . 36 VAL HG1 . 27692 1 259 . 1 1 36 36 VAL HG12 H 1 0.544 0 . 1 . . . . . 36 VAL HG1 . 27692 1 260 . 1 1 36 36 VAL HG13 H 1 0.544 0 . 1 . . . . . 36 VAL HG1 . 27692 1 261 . 1 1 36 36 VAL HG21 H 1 0.709 0 . 2 . . . . . 36 VAL HG2 . 27692 1 262 . 1 1 36 36 VAL HG22 H 1 0.709 0 . 2 . . . . . 36 VAL HG2 . 27692 1 263 . 1 1 36 36 VAL HG23 H 1 0.709 0 . 2 . . . . . 36 VAL HG2 . 27692 1 264 . 1 1 36 36 VAL C C 13 179.026 0 . 1 . . . . . 36 VAL C . 27692 1 265 . 1 1 36 36 VAL CA C 13 66.36 0.07 . 1 . . . . . 36 VAL CA . 27692 1 266 . 1 1 36 36 VAL CB C 13 31.206 0.07 . 1 . . . . . 36 VAL CB . 27692 1 267 . 1 1 36 36 VAL CG1 C 13 22.185 0.12 . 2 . . . . . 36 VAL CG# . 27692 1 268 . 1 1 36 36 VAL CG2 C 13 22.185 0.12 . 2 . . . . . 36 VAL CG# . 27692 1 269 . 1 1 36 36 VAL N N 15 122.33 0.01 . 1 . . . . . 36 VAL N . 27692 1 270 . 1 1 37 37 MET H H 1 8.383 0 . 1 . . . . . 37 MET H . 27692 1 271 . 1 1 37 37 MET HA H 1 4.033 0 . 1 . . . . . 37 MET HA . 27692 1 272 . 1 1 37 37 MET HB2 H 1 2.085 0 . 2 . . . . . 37 MET HB2 . 27692 1 273 . 1 1 37 37 MET C C 13 178.895 0 . 1 . . . . . 37 MET C . 27692 1 274 . 1 1 37 37 MET CA C 13 60.231 0.06 . 1 . . . . . 37 MET CA . 27692 1 275 . 1 1 37 37 MET CB C 13 31.784 0.11 . 1 . . . . . 37 MET CB . 27692 1 276 . 1 1 37 37 MET N N 15 118.19 0.02 . 1 . . . . . 37 MET N . 27692 1 277 . 1 1 38 38 ARG H H 1 8.477 0 . 1 . . . . . 38 ARG H . 27692 1 278 . 1 1 38 38 ARG HA H 1 4.706 0 . 1 . . . . . 38 ARG HA . 27692 1 279 . 1 1 38 38 ARG HB2 H 1 1.93 0 . 2 . . . . . 38 ARG HB2 . 27692 1 280 . 1 1 38 38 ARG C C 13 181.285 0 . 1 . . . . . 38 ARG C . 27692 1 281 . 1 1 38 38 ARG CA C 13 59.3 0.04 . 1 . . . . . 38 ARG CA . 27692 1 282 . 1 1 38 38 ARG CB C 13 30.014 0.04 . 1 . . . . . 38 ARG CB . 27692 1 283 . 1 1 38 38 ARG N N 15 119.705 0.02 . 1 . . . . . 38 ARG N . 27692 1 284 . 1 1 39 39 SER H H 1 8.038 0.01 . 1 . . . . . 39 SER H . 27692 1 285 . 1 1 39 39 SER HA H 1 4.436 0 . 1 . . . . . 39 SER HA . 27692 1 286 . 1 1 39 39 SER HB2 H 1 4.207 0 . 2 . . . . . 39 SER HB2 . 27692 1 287 . 1 1 39 39 SER C C 13 174.992 0 . 1 . . . . . 39 SER C . 27692 1 288 . 1 1 39 39 SER CA C 13 61.872 0.03 . 1 . . . . . 39 SER CA . 27692 1 289 . 1 1 39 39 SER CB C 13 62.996 0.03 . 1 . . . . . 39 SER CB . 27692 1 290 . 1 1 39 39 SER N N 15 119.013 0.01 . 1 . . . . . 39 SER N . 27692 1 291 . 1 1 40 40 LEU H H 1 7.336 0.01 . 1 . . . . . 40 LEU H . 27692 1 292 . 1 1 40 40 LEU HA H 1 4.602 0 . 1 . . . . . 40 LEU HA . 27692 1 293 . 1 1 40 40 LEU HB2 H 1 1.92 0.01 . 2 . . . . . 40 LEU HB2 . 27692 1 294 . 1 1 40 40 LEU HD21 H 1 1.066 0.01 . 2 . . . . . 40 LEU HD2 . 27692 1 295 . 1 1 40 40 LEU HD22 H 1 1.066 0.01 . 2 . . . . . 40 LEU HD2 . 27692 1 296 . 1 1 40 40 LEU HD23 H 1 1.066 0.01 . 2 . . . . . 40 LEU HD2 . 27692 1 297 . 1 1 40 40 LEU C C 13 177.196 0 . 1 . . . . . 40 LEU C . 27692 1 298 . 1 1 40 40 LEU CA C 13 54.639 0.02 . 1 . . . . . 40 LEU CA . 27692 1 299 . 1 1 40 40 LEU CB C 13 42.799 0.02 . 1 . . . . . 40 LEU CB . 27692 1 300 . 1 1 40 40 LEU CG C 13 26.41 0 . 1 . . . . . 40 LEU CG . 27692 1 301 . 1 1 40 40 LEU CD2 C 13 23.38 0.12 . 1 . . . . . 40 LEU CD2 . 27692 1 302 . 1 1 40 40 LEU N N 15 120.945 0.02 . 1 . . . . . 40 LEU N . 27692 1 303 . 1 1 41 41 GLY H H 1 7.937 0.01 . 1 . . . . . 41 GLY H . 27692 1 304 . 1 1 41 41 GLY HA2 H 1 4.265 0 . 2 . . . . . 41 GLY HA2 . 27692 1 305 . 1 1 41 41 GLY HA3 H 1 3.834 0 . 2 . . . . . 41 GLY HA3 . 27692 1 306 . 1 1 41 41 GLY C C 13 174.343 0 . 1 . . . . . 41 GLY C . 27692 1 307 . 1 1 41 41 GLY CA C 13 45.707 0 . 1 . . . . . 41 GLY CA . 27692 1 308 . 1 1 41 41 GLY N N 15 107.299 0.01 . 1 . . . . . 41 GLY N . 27692 1 309 . 1 1 42 42 GLN H H 1 7.759 0.01 . 1 . . . . . 42 GLN H . 27692 1 310 . 1 1 42 42 GLN N N 15 117.935 0.02 . 1 . . . . . 42 GLN N . 27692 1 311 . 1 1 44 44 PRO HA H 1 4.741 0 . 1 . . . . . 44 PRO HA . 27692 1 312 . 1 1 44 44 PRO HB2 H 1 1.993 0 . 2 . . . . . 44 PRO HB2 . 27692 1 313 . 1 1 44 44 PRO C C 13 177.519 0 . 1 . . . . . 44 PRO C . 27692 1 314 . 1 1 44 44 PRO CA C 13 62.373 0.06 . 1 . . . . . 44 PRO CA . 27692 1 315 . 1 1 44 44 PRO CB C 13 31.932 0.03 . 1 . . . . . 44 PRO CB . 27692 1 316 . 1 1 45 45 THR H H 1 8.751 0 . 1 . . . . . 45 THR H . 27692 1 317 . 1 1 45 45 THR HA H 1 4.77 0 . 1 . . . . . 45 THR HA . 27692 1 318 . 1 1 45 45 THR HB H 1 4.464 0 . 1 . . . . . 45 THR HB . 27692 1 319 . 1 1 45 45 THR HG21 H 1 1.321 0 . 1 . . . . . 45 THR HG2 . 27692 1 320 . 1 1 45 45 THR HG22 H 1 1.321 0 . 1 . . . . . 45 THR HG2 . 27692 1 321 . 1 1 45 45 THR HG23 H 1 1.321 0 . 1 . . . . . 45 THR HG2 . 27692 1 322 . 1 1 45 45 THR C C 13 175.423 0 . 1 . . . . . 45 THR C . 27692 1 323 . 1 1 45 45 THR CA C 13 60.431 0.15 . 1 . . . . . 45 THR CA . 27692 1 324 . 1 1 45 45 THR CB C 13 71.21 0.05 . 1 . . . . . 45 THR CB . 27692 1 325 . 1 1 45 45 THR CG2 C 13 21.856 0.01 . 1 . . . . . 45 THR CG2 . 27692 1 326 . 1 1 45 45 THR N N 15 113.081 0.02 . 1 . . . . . 45 THR N . 27692 1 327 . 1 1 46 46 GLU H H 1 9.005 0 . 1 . . . . . 46 GLU H . 27692 1 328 . 1 1 46 46 GLU HB2 H 1 2.049 0 . 2 . . . . . 46 GLU HB2 . 27692 1 329 . 1 1 46 46 GLU C C 13 179.147 0 . 1 . . . . . 46 GLU C . 27692 1 330 . 1 1 46 46 GLU CA C 13 60.143 0.12 . 1 . . . . . 46 GLU CA . 27692 1 331 . 1 1 46 46 GLU CB C 13 29.109 0.09 . 1 . . . . . 46 GLU CB . 27692 1 332 . 1 1 46 46 GLU N N 15 120.455 0.01 . 1 . . . . . 46 GLU N . 27692 1 333 . 1 1 47 47 ALA H H 1 8.288 0.02 . 1 . . . . . 47 ALA H . 27692 1 334 . 1 1 47 47 ALA HA H 1 4.102 0 . 1 . . . . . 47 ALA HA . 27692 1 335 . 1 1 47 47 ALA HB1 H 1 1.398 0.01 . 1 . . . . . 47 ALA HB . 27692 1 336 . 1 1 47 47 ALA HB2 H 1 1.398 0.01 . 1 . . . . . 47 ALA HB . 27692 1 337 . 1 1 47 47 ALA HB3 H 1 1.398 0.01 . 1 . . . . . 47 ALA HB . 27692 1 338 . 1 1 47 47 ALA C C 13 180.136 0 . 1 . . . . . 47 ALA C . 27692 1 339 . 1 1 47 47 ALA CA C 13 54.988 0.02 . 1 . . . . . 47 ALA CA . 27692 1 340 . 1 1 47 47 ALA CB C 13 18.295 0.06 . 1 . . . . . 47 ALA CB . 27692 1 341 . 1 1 47 47 ALA N N 15 121.131 0.15 . 1 . . . . . 47 ALA N . 27692 1 342 . 1 1 48 48 GLU H H 1 7.727 0 . 1 . . . . . 48 GLU H . 27692 1 343 . 1 1 48 48 GLU HA H 1 4.04 0 . 1 . . . . . 48 GLU HA . 27692 1 344 . 1 1 48 48 GLU HB2 H 1 2.288 0 . 2 . . . . . 48 GLU HB2 . 27692 1 345 . 1 1 48 48 GLU HB3 H 1 1.903 0 . 2 . . . . . 48 GLU HB3 . 27692 1 346 . 1 1 48 48 GLU C C 13 179.85 0 . 1 . . . . . 48 GLU C . 27692 1 347 . 1 1 48 48 GLU CA C 13 58.927 0.02 . 1 . . . . . 48 GLU CA . 27692 1 348 . 1 1 48 48 GLU CB C 13 29.939 0.04 . 1 . . . . . 48 GLU CB . 27692 1 349 . 1 1 48 48 GLU N N 15 119.066 0.01 . 1 . . . . . 48 GLU N . 27692 1 350 . 1 1 49 49 LEU H H 1 8.242 0 . 1 . . . . . 49 LEU H . 27692 1 351 . 1 1 49 49 LEU HA H 1 4.035 0.01 . 1 . . . . . 49 LEU HA . 27692 1 352 . 1 1 49 49 LEU HB2 H 1 1.914 0.01 . 2 . . . . . 49 LEU HB2 . 27692 1 353 . 1 1 49 49 LEU HB3 H 1 1.46 0.01 . 2 . . . . . 49 LEU HB3 . 27692 1 354 . 1 1 49 49 LEU HG H 1 1.679 0 . 1 . . . . . 49 LEU HG . 27692 1 355 . 1 1 49 49 LEU HD21 H 1 0.807 0.01 . 2 . . . . . 49 LEU HD2 . 27692 1 356 . 1 1 49 49 LEU HD22 H 1 0.807 0.01 . 2 . . . . . 49 LEU HD2 . 27692 1 357 . 1 1 49 49 LEU HD23 H 1 0.807 0.01 . 2 . . . . . 49 LEU HD2 . 27692 1 358 . 1 1 49 49 LEU C C 13 178.463 0 . 1 . . . . . 49 LEU C . 27692 1 359 . 1 1 49 49 LEU CA C 13 58.198 0.1 . 1 . . . . . 49 LEU CA . 27692 1 360 . 1 1 49 49 LEU CB C 13 41.856 0.04 . 1 . . . . . 49 LEU CB . 27692 1 361 . 1 1 49 49 LEU CG C 13 25.345 0 . 1 . . . . . 49 LEU CG . 27692 1 362 . 1 1 49 49 LEU CD1 C 13 23.773 0 . 1 . . . . . 49 LEU CD1 . 27692 1 363 . 1 1 49 49 LEU CD2 C 13 26.007 0.91 . 1 . . . . . 49 LEU CD2 . 27692 1 364 . 1 1 49 49 LEU N N 15 119.959 0.02 . 1 . . . . . 49 LEU N . 27692 1 365 . 1 1 50 50 GLN H H 1 8.081 0 . 1 . . . . . 50 GLN H . 27692 1 366 . 1 1 50 50 GLN HA H 1 3.891 0 . 1 . . . . . 50 GLN HA . 27692 1 367 . 1 1 50 50 GLN HB3 H 1 2.149 0 . 2 . . . . . 50 GLN HB3 . 27692 1 368 . 1 1 50 50 GLN C C 13 178.175 0 . 1 . . . . . 50 GLN C . 27692 1 369 . 1 1 50 50 GLN CA C 13 58.618 0.02 . 1 . . . . . 50 GLN CA . 27692 1 370 . 1 1 50 50 GLN CB C 13 28.131 0.04 . 1 . . . . . 50 GLN CB . 27692 1 371 . 1 1 50 50 GLN N N 15 117.628 0.01 . 1 . . . . . 50 GLN N . 27692 1 372 . 1 1 51 51 ASP H H 1 7.9 0 . 1 . . . . . 51 ASP H . 27692 1 373 . 1 1 51 51 ASP HA H 1 4.457 0 . 1 . . . . . 51 ASP HA . 27692 1 374 . 1 1 51 51 ASP HB2 H 1 2.742 0 . 2 . . . . . 51 ASP HB2 . 27692 1 375 . 1 1 51 51 ASP C C 13 178.877 0 . 1 . . . . . 51 ASP C . 27692 1 376 . 1 1 51 51 ASP CA C 13 57.709 0.09 . 1 . . . . . 51 ASP CA . 27692 1 377 . 1 1 51 51 ASP CB C 13 40.615 0.03 . 1 . . . . . 51 ASP CB . 27692 1 378 . 1 1 51 51 ASP N N 15 119.338 0.02 . 1 . . . . . 51 ASP N . 27692 1 379 . 1 1 52 52 MET H H 1 7.948 0 . 1 . . . . . 52 MET H . 27692 1 380 . 1 1 52 52 MET HA H 1 4.049 0 . 1 . . . . . 52 MET HA . 27692 1 381 . 1 1 52 52 MET HB2 H 1 2.088 0 . 2 . . . . . 52 MET HB2 . 27692 1 382 . 1 1 52 52 MET C C 13 178.461 0 . 1 . . . . . 52 MET C . 27692 1 383 . 1 1 52 52 MET CA C 13 59.895 0.06 . 1 . . . . . 52 MET CA . 27692 1 384 . 1 1 52 52 MET CB C 13 33.999 0.05 . 1 . . . . . 52 MET CB . 27692 1 385 . 1 1 52 52 MET N N 15 119.031 0.01 . 1 . . . . . 52 MET N . 27692 1 386 . 1 1 53 53 ILE H H 1 8.219 0 . 1 . . . . . 53 ILE H . 27692 1 387 . 1 1 53 53 ILE HA H 1 3.503 0 . 1 . . . . . 53 ILE HA . 27692 1 388 . 1 1 53 53 ILE HB H 1 1.884 0.01 . 1 . . . . . 53 ILE HB . 27692 1 389 . 1 1 53 53 ILE HG21 H 1 0.885 0.02 . 1 . . . . . 53 ILE HG2 . 27692 1 390 . 1 1 53 53 ILE HG22 H 1 0.885 0.02 . 1 . . . . . 53 ILE HG2 . 27692 1 391 . 1 1 53 53 ILE HG23 H 1 0.885 0.02 . 1 . . . . . 53 ILE HG2 . 27692 1 392 . 1 1 53 53 ILE HD11 H 1 0.806 0 . 1 . . . . . 53 ILE HD1 . 27692 1 393 . 1 1 53 53 ILE HD12 H 1 0.806 0 . 1 . . . . . 53 ILE HD1 . 27692 1 394 . 1 1 53 53 ILE HD13 H 1 0.806 0 . 1 . . . . . 53 ILE HD1 . 27692 1 395 . 1 1 53 53 ILE C C 13 177.976 0 . 1 . . . . . 53 ILE C . 27692 1 396 . 1 1 53 53 ILE CA C 13 65.471 0.08 . 1 . . . . . 53 ILE CA . 27692 1 397 . 1 1 53 53 ILE CB C 13 38.108 0.1 . 1 . . . . . 53 ILE CB . 27692 1 398 . 1 1 53 53 ILE CG1 C 13 30.243 0 . 1 . . . . . 53 ILE CG1 . 27692 1 399 . 1 1 53 53 ILE CG2 C 13 17.497 0 . 1 . . . . . 53 ILE CG2 . 27692 1 400 . 1 1 53 53 ILE CD1 C 13 13.907 0 . 1 . . . . . 53 ILE CD1 . 27692 1 401 . 1 1 53 53 ILE N N 15 118.965 0.07 . 1 . . . . . 53 ILE N . 27692 1 402 . 1 1 54 54 ASN H H 1 8.354 0 . 1 . . . . . 54 ASN H . 27692 1 403 . 1 1 54 54 ASN HA H 1 4.478 0 . 1 . . . . . 54 ASN HA . 27692 1 404 . 1 1 54 54 ASN HB2 H 1 3.016 0 . 2 . . . . . 54 ASN HB2 . 27692 1 405 . 1 1 54 54 ASN HB3 H 1 2.866 0 . 2 . . . . . 54 ASN HB3 . 27692 1 406 . 1 1 54 54 ASN C C 13 177.64 0 . 1 . . . . . 54 ASN C . 27692 1 407 . 1 1 54 54 ASN CA C 13 55.458 0.02 . 1 . . . . . 54 ASN CA . 27692 1 408 . 1 1 54 54 ASN CB C 13 37.981 0.04 . 1 . . . . . 54 ASN CB . 27692 1 409 . 1 1 54 54 ASN N N 15 118.095 0.03 . 1 . . . . . 54 ASN N . 27692 1 410 . 1 1 55 55 GLU H H 1 7.821 0.01 . 1 . . . . . 55 GLU H . 27692 1 411 . 1 1 55 55 GLU HA H 1 4.154 0 . 1 . . . . . 55 GLU HA . 27692 1 412 . 1 1 55 55 GLU HB2 H 1 2.139 0 . 2 . . . . . 55 GLU HB2 . 27692 1 413 . 1 1 55 55 GLU C C 13 178.133 0 . 1 . . . . . 55 GLU C . 27692 1 414 . 1 1 55 55 GLU CA C 13 58.763 0.05 . 1 . . . . . 55 GLU CA . 27692 1 415 . 1 1 55 55 GLU CB C 13 30.025 0.03 . 1 . . . . . 55 GLU CB . 27692 1 416 . 1 1 55 55 GLU N N 15 118.831 0.02 . 1 . . . . . 55 GLU N . 27692 1 417 . 1 1 56 56 VAL H H 1 7.56 0.01 . 1 . . . . . 56 VAL H . 27692 1 418 . 1 1 56 56 VAL HA H 1 4.207 0 . 1 . . . . . 56 VAL HA . 27692 1 419 . 1 1 56 56 VAL HB H 1 2.239 0 . 1 . . . . . 56 VAL HB . 27692 1 420 . 1 1 56 56 VAL HG11 H 1 0.944 0 . 1 . . . . . 56 VAL HG1 . 27692 1 421 . 1 1 56 56 VAL HG12 H 1 0.944 0 . 1 . . . . . 56 VAL HG1 . 27692 1 422 . 1 1 56 56 VAL HG13 H 1 0.944 0 . 1 . . . . . 56 VAL HG1 . 27692 1 423 . 1 1 56 56 VAL HG21 H 1 0.936 0 . 2 . . . . . 56 VAL HG2 . 27692 1 424 . 1 1 56 56 VAL HG22 H 1 0.936 0 . 2 . . . . . 56 VAL HG2 . 27692 1 425 . 1 1 56 56 VAL HG23 H 1 0.936 0 . 2 . . . . . 56 VAL HG2 . 27692 1 426 . 1 1 56 56 VAL C C 13 176.342 0 . 1 . . . . . 56 VAL C . 27692 1 427 . 1 1 56 56 VAL CA C 13 62.984 0.01 . 1 . . . . . 56 VAL CA . 27692 1 428 . 1 1 56 56 VAL CB C 13 32.585 0.06 . 1 . . . . . 56 VAL CB . 27692 1 429 . 1 1 56 56 VAL CG1 C 13 21.256 0.12 . 1 . . . . . 56 VAL CG1 . 27692 1 430 . 1 1 56 56 VAL CG2 C 13 21.686 0 . 1 . . . . . 56 VAL CG2 . 27692 1 431 . 1 1 56 56 VAL N N 15 114.49 0.03 . 1 . . . . . 56 VAL N . 27692 1 432 . 1 1 57 57 ALA H H 1 8.265 0 . 1 . . . . . 57 ALA H . 27692 1 433 . 1 1 57 57 ALA HA H 1 4.295 0 . 1 . . . . . 57 ALA HA . 27692 1 434 . 1 1 57 57 ALA HB1 H 1 1.431 0 . 1 . . . . . 57 ALA HB . 27692 1 435 . 1 1 57 57 ALA HB2 H 1 1.431 0 . 1 . . . . . 57 ALA HB . 27692 1 436 . 1 1 57 57 ALA HB3 H 1 1.431 0 . 1 . . . . . 57 ALA HB . 27692 1 437 . 1 1 57 57 ALA C C 13 178.307 0 . 1 . . . . . 57 ALA C . 27692 1 438 . 1 1 57 57 ALA CA C 13 53.1 0.07 . 1 . . . . . 57 ALA CA . 27692 1 439 . 1 1 57 57 ALA CB C 13 18.849 0.01 . 1 . . . . . 57 ALA CB . 27692 1 440 . 1 1 57 57 ALA N N 15 124.105 0.01 . 1 . . . . . 57 ALA N . 27692 1 441 . 1 1 58 58 ALA H H 1 8.074 0 . 1 . . . . . 58 ALA H . 27692 1 442 . 1 1 58 58 ALA CA C 13 53.272 0 . 1 . . . . . 58 ALA CA . 27692 1 443 . 1 1 58 58 ALA CB C 13 18.819 0 . 1 . . . . . 58 ALA CB . 27692 1 444 . 1 1 58 58 ALA N N 15 121.374 0.04 . 1 . . . . . 58 ALA N . 27692 1 445 . 1 1 62 62 GLY HA2 H 1 4.094 0 . 2 . . . . . 62 GLY HA2 . 27692 1 446 . 1 1 62 62 GLY C C 13 174.371 0 . 1 . . . . . 62 GLY C . 27692 1 447 . 1 1 62 62 GLY CA C 13 45.524 0 . 1 . . . . . 62 GLY CA . 27692 1 448 . 1 1 63 63 THR H H 1 7.515 0.01 . 1 . . . . . 63 THR H . 27692 1 449 . 1 1 63 63 THR HA H 1 5.124 0 . 1 . . . . . 63 THR HA . 27692 1 450 . 1 1 63 63 THR HB H 1 4.171 0 . 1 . . . . . 63 THR HB . 27692 1 451 . 1 1 63 63 THR HG21 H 1 1.117 0 . 1 . . . . . 63 THR HG2 . 27692 1 452 . 1 1 63 63 THR HG22 H 1 1.117 0 . 1 . . . . . 63 THR HG2 . 27692 1 453 . 1 1 63 63 THR HG23 H 1 1.117 0 . 1 . . . . . 63 THR HG2 . 27692 1 454 . 1 1 63 63 THR C C 13 172.884 0 . 1 . . . . . 63 THR C . 27692 1 455 . 1 1 63 63 THR CA C 13 59.758 0.04 . 1 . . . . . 63 THR CA . 27692 1 456 . 1 1 63 63 THR CB C 13 72.591 0.07 . 1 . . . . . 63 THR CB . 27692 1 457 . 1 1 63 63 THR CG2 C 13 21.816 0.01 . 1 . . . . . 63 THR CG2 . 27692 1 458 . 1 1 63 63 THR N N 15 110.791 0.03 . 1 . . . . . 63 THR N . 27692 1 459 . 1 1 64 64 ILE H H 1 8.87 0 . 1 . . . . . 64 ILE H . 27692 1 460 . 1 1 64 64 ILE HA H 1 4.608 0 . 1 . . . . . 64 ILE HA . 27692 1 461 . 1 1 64 64 ILE HB H 1 1.793 0 . 1 . . . . . 64 ILE HB . 27692 1 462 . 1 1 64 64 ILE HG12 H 1 1.331 0.12 . 2 . . . . . 64 ILE HG1 . 27692 1 463 . 1 1 64 64 ILE HG13 H 1 1.331 0.12 . 2 . . . . . 64 ILE HG1 . 27692 1 464 . 1 1 64 64 ILE HG21 H 1 1.127 0.01 . 1 . . . . . 64 ILE HG2 . 27692 1 465 . 1 1 64 64 ILE HG22 H 1 1.127 0.01 . 1 . . . . . 64 ILE HG2 . 27692 1 466 . 1 1 64 64 ILE HG23 H 1 1.127 0.01 . 1 . . . . . 64 ILE HG2 . 27692 1 467 . 1 1 64 64 ILE HD11 H 1 0.861 0 . 1 . . . . . 64 ILE HD1 . 27692 1 468 . 1 1 64 64 ILE HD12 H 1 0.861 0 . 1 . . . . . 64 ILE HD1 . 27692 1 469 . 1 1 64 64 ILE HD13 H 1 0.861 0 . 1 . . . . . 64 ILE HD1 . 27692 1 470 . 1 1 64 64 ILE C C 13 174.873 0 . 1 . . . . . 64 ILE C . 27692 1 471 . 1 1 64 64 ILE CA C 13 60.292 0.06 . 1 . . . . . 64 ILE CA . 27692 1 472 . 1 1 64 64 ILE CB C 13 41.533 0.09 . 1 . . . . . 64 ILE CB . 27692 1 473 . 1 1 64 64 ILE CG1 C 13 27.417 0.11 . 1 . . . . . 64 ILE CG1 . 27692 1 474 . 1 1 64 64 ILE CG2 C 13 18.264 0 . 1 . . . . . 64 ILE CG2 . 27692 1 475 . 1 1 64 64 ILE CD1 C 13 12.9 0 . 1 . . . . . 64 ILE CD1 . 27692 1 476 . 1 1 64 64 ILE N N 15 119.599 0.04 . 1 . . . . . 64 ILE N . 27692 1 477 . 1 1 65 65 ASP H H 1 8.527 0 . 1 . . . . . 65 ASP H . 27692 1 478 . 1 1 65 65 ASP HA H 1 5.379 0 . 1 . . . . . 65 ASP HA . 27692 1 479 . 1 1 65 65 ASP C C 13 175.607 0 . 1 . . . . . 65 ASP C . 27692 1 480 . 1 1 65 65 ASP CA C 13 51.911 0.06 . 1 . . . . . 65 ASP CA . 27692 1 481 . 1 1 65 65 ASP CB C 13 41.943 0.03 . 1 . . . . . 65 ASP CB . 27692 1 482 . 1 1 65 65 ASP N N 15 125.446 0.04 . 1 . . . . . 65 ASP N . 27692 1 483 . 1 1 66 66 PHE H H 1 8.919 0 . 1 . . . . . 66 PHE H . 27692 1 484 . 1 1 66 66 PHE CA C 13 62.9 0 . 1 . . . . . 66 PHE CA . 27692 1 485 . 1 1 66 66 PHE CB C 13 36.348 0 . 1 . . . . . 66 PHE CB . 27692 1 486 . 1 1 66 66 PHE N N 15 118.196 0.04 . 1 . . . . . 66 PHE N . 27692 1 487 . 1 1 67 67 PRO HA H 1 4.292 0 . 1 . . . . . 67 PRO HA . 27692 1 488 . 1 1 67 67 PRO HB2 H 1 1.418 0 . 2 . . . . . 67 PRO HB . 27692 1 489 . 1 1 67 67 PRO HB3 H 1 1.418 0 . 2 . . . . . 67 PRO HB . 27692 1 490 . 1 1 67 67 PRO C C 13 178.197 0 . 1 . . . . . 67 PRO C . 27692 1 491 . 1 1 67 67 PRO CA C 13 59.937 0 . 1 . . . . . 67 PRO CA . 27692 1 492 . 1 1 67 67 PRO CB C 13 31.866 0 . 1 . . . . . 67 PRO CB . 27692 1 493 . 1 1 69 69 PHE H H 1 8.072 0 . 1 . . . . . 69 PHE H . 27692 1 494 . 1 1 69 69 PHE HA H 1 4.105 0 . 1 . . . . . 69 PHE HA . 27692 1 495 . 1 1 69 69 PHE HB2 H 1 3.079 0 . 2 . . . . . 69 PHE HB2 . 27692 1 496 . 1 1 69 69 PHE C C 13 176.927 0 . 1 . . . . . 69 PHE C . 27692 1 497 . 1 1 69 69 PHE CA C 13 61.389 0 . 1 . . . . . 69 PHE CA . 27692 1 498 . 1 1 69 69 PHE CB C 13 39.531 0.01 . 1 . . . . . 69 PHE CB . 27692 1 499 . 1 1 69 69 PHE N N 15 121.825 0 . 1 . . . . . 69 PHE N . 27692 1 500 . 1 1 70 70 LEU H H 1 8.527 0 . 1 . . . . . 70 LEU H . 27692 1 501 . 1 1 70 70 LEU HA H 1 3.342 0 . 1 . . . . . 70 LEU HA . 27692 1 502 . 1 1 70 70 LEU HB2 H 1 1.379 0 . 2 . . . . . 70 LEU HB2 . 27692 1 503 . 1 1 70 70 LEU HB3 H 1 1.216 0.01 . 2 . . . . . 70 LEU HB3 . 27692 1 504 . 1 1 70 70 LEU HD11 H 1 0.95 0.01 . 2 . . . . . 70 LEU HD1 . 27692 1 505 . 1 1 70 70 LEU HD12 H 1 0.95 0.01 . 2 . . . . . 70 LEU HD1 . 27692 1 506 . 1 1 70 70 LEU HD13 H 1 0.95 0.01 . 2 . . . . . 70 LEU HD1 . 27692 1 507 . 1 1 70 70 LEU HD21 H 1 0.675 0.01 . 2 . . . . . 70 LEU HD2 . 27692 1 508 . 1 1 70 70 LEU HD22 H 1 0.675 0.01 . 2 . . . . . 70 LEU HD2 . 27692 1 509 . 1 1 70 70 LEU HD23 H 1 0.675 0.01 . 2 . . . . . 70 LEU HD2 . 27692 1 510 . 1 1 70 70 LEU C C 13 179.276 0 . 1 . . . . . 70 LEU C . 27692 1 511 . 1 1 70 70 LEU CA C 13 57.859 0.01 . 1 . . . . . 70 LEU CA . 27692 1 512 . 1 1 70 70 LEU CB C 13 41.122 0.03 . 1 . . . . . 70 LEU CB . 27692 1 513 . 1 1 70 70 LEU CD1 C 13 23.934 0 . 1 . . . . . 70 LEU CD1 . 27692 1 514 . 1 1 70 70 LEU CD2 C 13 25.518 0.02 . 1 . . . . . 70 LEU CD2 . 27692 1 515 . 1 1 70 70 LEU N N 15 118.87 0.02 . 1 . . . . . 70 LEU N . 27692 1 516 . 1 1 71 71 THR H H 1 7.716 0 . 1 . . . . . 71 THR H . 27692 1 517 . 1 1 71 71 THR HA H 1 4.293 0 . 1 . . . . . 71 THR HA . 27692 1 518 . 1 1 71 71 THR HB H 1 3.788 0 . 1 . . . . . 71 THR HB . 27692 1 519 . 1 1 71 71 THR HG21 H 1 1.185 0 . 1 . . . . . 71 THR HG2 . 27692 1 520 . 1 1 71 71 THR HG22 H 1 1.185 0 . 1 . . . . . 71 THR HG2 . 27692 1 521 . 1 1 71 71 THR HG23 H 1 1.185 0 . 1 . . . . . 71 THR HG2 . 27692 1 522 . 1 1 71 71 THR C C 13 176.631 0 . 1 . . . . . 71 THR C . 27692 1 523 . 1 1 71 71 THR CA C 13 66.81 0.02 . 1 . . . . . 71 THR CA . 27692 1 524 . 1 1 71 71 THR CB C 13 68.535 0.04 . 1 . . . . . 71 THR CB . 27692 1 525 . 1 1 71 71 THR CG2 C 13 21.874 0.01 . 1 . . . . . 71 THR CG2 . 27692 1 526 . 1 1 71 71 THR N N 15 115.725 0.02 . 1 . . . . . 71 THR N . 27692 1 527 . 1 1 72 72 MET H H 1 7.807 0.01 . 1 . . . . . 72 MET H . 27692 1 528 . 1 1 72 72 MET HA H 1 3.886 0 . 1 . . . . . 72 MET HA . 27692 1 529 . 1 1 72 72 MET C C 13 178.473 0 . 1 . . . . . 72 MET C . 27692 1 530 . 1 1 72 72 MET CA C 13 59.474 0.04 . 1 . . . . . 72 MET CA . 27692 1 531 . 1 1 72 72 MET CB C 13 32.474 0.04 . 1 . . . . . 72 MET CB . 27692 1 532 . 1 1 72 72 MET N N 15 120.978 0.02 . 1 . . . . . 72 MET N . 27692 1 533 . 1 1 73 73 MET H H 1 8.008 0 . 1 . . . . . 73 MET H . 27692 1 534 . 1 1 73 73 MET HA H 1 4.048 0 . 1 . . . . . 73 MET HA . 27692 1 535 . 1 1 73 73 MET C C 13 178.463 0 . 1 . . . . . 73 MET C . 27692 1 536 . 1 1 73 73 MET CA C 13 56.15 0.07 . 1 . . . . . 73 MET CA . 27692 1 537 . 1 1 73 73 MET CB C 13 31.363 0.03 . 1 . . . . . 73 MET CB . 27692 1 538 . 1 1 73 73 MET N N 15 117.532 0.05 . 1 . . . . . 73 MET N . 27692 1 539 . 1 1 74 74 ALA H H 1 8.31 0.01 . 1 . . . . . 74 ALA H . 27692 1 540 . 1 1 74 74 ALA CA C 13 54.988 0 . 1 . . . . . 74 ALA CA . 27692 1 541 . 1 1 74 74 ALA CB C 13 17.859 0 . 1 . . . . . 74 ALA CB . 27692 1 542 . 1 1 74 74 ALA N N 15 121.512 0.13 . 1 . . . . . 74 ALA N . 27692 1 543 . 1 1 76 76 LYS H H 1 7.696 0 . 1 . . . . . 76 LYS H . 27692 1 544 . 1 1 76 76 LYS HB2 H 1 2.665 0 . 2 . . . . . 76 LYS HB2 . 27692 1 545 . 1 1 76 76 LYS C C 13 177.814 0 . 1 . . . . . 76 LYS C . 27692 1 546 . 1 1 76 76 LYS CA C 13 56.585 0.04 . 1 . . . . . 76 LYS CA . 27692 1 547 . 1 1 76 76 LYS CB C 13 31.853 0 . 1 . . . . . 76 LYS CB . 27692 1 548 . 1 1 76 76 LYS N N 15 118.618 0 . 1 . . . . . 76 LYS N . 27692 1 549 . 1 1 77 77 MET H H 1 7.987 0.02 . 1 . . . . . 77 MET H . 27692 1 550 . 1 1 77 77 MET CA C 13 56.615 0 . 1 . . . . . 77 MET CA . 27692 1 551 . 1 1 77 77 MET CB C 13 32.876 0 . 1 . . . . . 77 MET CB . 27692 1 552 . 1 1 77 77 MET N N 15 118.012 0.16 . 1 . . . . . 77 MET N . 27692 1 553 . 1 1 79 79 ASP HA H 1 4.713 0 . 1 . . . . . 79 ASP HA . 27692 1 554 . 1 1 79 79 ASP HB2 H 1 2.757 0 . 2 . . . . . 79 ASP HB2 . 27692 1 555 . 1 1 79 79 ASP C C 13 176.648 0 . 1 . . . . . 79 ASP C . 27692 1 556 . 1 1 79 79 ASP CA C 13 54.708 0 . 1 . . . . . 79 ASP CA . 27692 1 557 . 1 1 79 79 ASP CB C 13 41.096 0 . 1 . . . . . 79 ASP CB . 27692 1 558 . 1 1 80 80 THR H H 1 8.063 0.01 . 1 . . . . . 80 THR H . 27692 1 559 . 1 1 80 80 THR HA H 1 4.3 0.01 . 1 . . . . . 80 THR HA . 27692 1 560 . 1 1 80 80 THR HG21 H 1 1.219 0.01 . 1 . . . . . 80 THR HG2 . 27692 1 561 . 1 1 80 80 THR HG22 H 1 1.219 0.01 . 1 . . . . . 80 THR HG2 . 27692 1 562 . 1 1 80 80 THR HG23 H 1 1.219 0.01 . 1 . . . . . 80 THR HG2 . 27692 1 563 . 1 1 80 80 THR C C 13 174.514 0 . 1 . . . . . 80 THR C . 27692 1 564 . 1 1 80 80 THR CA C 13 62.392 0.06 . 1 . . . . . 80 THR CA . 27692 1 565 . 1 1 80 80 THR CB C 13 69.898 0.07 . 1 . . . . . 80 THR CB . 27692 1 566 . 1 1 80 80 THR CG2 C 13 21.593 0.04 . 1 . . . . . 80 THR CG2 . 27692 1 567 . 1 1 80 80 THR N N 15 114.675 0.02 . 1 . . . . . 80 THR N . 27692 1 568 . 1 1 81 81 ASP H H 1 8.448 0 . 1 . . . . . 81 ASP H . 27692 1 569 . 1 1 81 81 ASP HA H 1 4.735 0 . 1 . . . . . 81 ASP HA . 27692 1 570 . 1 1 81 81 ASP HB2 H 1 2.759 0 . 2 . . . . . 81 ASP HB2 . 27692 1 571 . 1 1 81 81 ASP C C 13 176.786 0 . 1 . . . . . 81 ASP C . 27692 1 572 . 1 1 81 81 ASP CA C 13 54.671 0.02 . 1 . . . . . 81 ASP CA . 27692 1 573 . 1 1 81 81 ASP CB C 13 41.306 0.04 . 1 . . . . . 81 ASP CB . 27692 1 574 . 1 1 81 81 ASP N N 15 123.273 0.02 . 1 . . . . . 81 ASP N . 27692 1 575 . 1 1 82 82 SER H H 1 8.444 0 . 1 . . . . . 82 SER H . 27692 1 576 . 1 1 82 82 SER HA H 1 4.469 0 . 1 . . . . . 82 SER HA . 27692 1 577 . 1 1 82 82 SER C C 13 175.527 0 . 1 . . . . . 82 SER C . 27692 1 578 . 1 1 82 82 SER CA C 13 59.686 0.11 . 1 . . . . . 82 SER CA . 27692 1 579 . 1 1 82 82 SER CB C 13 63.768 0.07 . 1 . . . . . 82 SER CB . 27692 1 580 . 1 1 82 82 SER N N 15 117.437 0.02 . 1 . . . . . 82 SER N . 27692 1 581 . 1 1 83 83 GLU H H 1 8.47 0.01 . 1 . . . . . 83 GLU H . 27692 1 582 . 1 1 83 83 GLU HA H 1 4.214 0 . 1 . . . . . 83 GLU HA . 27692 1 583 . 1 1 83 83 GLU HB2 H 1 2.162 0 . 2 . . . . . 83 GLU HB2 . 27692 1 584 . 1 1 83 83 GLU C C 13 177.861 0 . 1 . . . . . 83 GLU C . 27692 1 585 . 1 1 83 83 GLU CA C 13 58.73 0.14 . 1 . . . . . 83 GLU CA . 27692 1 586 . 1 1 83 83 GLU CB C 13 29.513 0.03 . 1 . . . . . 83 GLU CB . 27692 1 587 . 1 1 83 83 GLU N N 15 122.457 0.1 . 1 . . . . . 83 GLU N . 27692 1 588 . 1 1 84 84 GLU H H 1 8.315 0.01 . 1 . . . . . 84 GLU H . 27692 1 589 . 1 1 84 84 GLU CA C 13 59.372 0 . 1 . . . . . 84 GLU CA . 27692 1 590 . 1 1 84 84 GLU CB C 13 29.402 0 . 1 . . . . . 84 GLU CB . 27692 1 591 . 1 1 84 84 GLU N N 15 119.727 0.05 . 1 . . . . . 84 GLU N . 27692 1 592 . 1 1 86 86 ILE HA H 1 3.863 0 . 1 . . . . . 86 ILE HA . 27692 1 593 . 1 1 86 86 ILE HB H 1 2.19 0 . 1 . . . . . 86 ILE HB . 27692 1 594 . 1 1 86 86 ILE HG21 H 1 1.12 0 . 1 . . . . . 86 ILE HG2 . 27692 1 595 . 1 1 86 86 ILE HG22 H 1 1.12 0 . 1 . . . . . 86 ILE HG2 . 27692 1 596 . 1 1 86 86 ILE HG23 H 1 1.12 0 . 1 . . . . . 86 ILE HG2 . 27692 1 597 . 1 1 86 86 ILE HD11 H 1 0.806 0 . 1 . . . . . 86 ILE HD1 . 27692 1 598 . 1 1 86 86 ILE HD12 H 1 0.806 0 . 1 . . . . . 86 ILE HD1 . 27692 1 599 . 1 1 86 86 ILE HD13 H 1 0.806 0 . 1 . . . . . 86 ILE HD1 . 27692 1 600 . 1 1 86 86 ILE C C 13 178.193 0 . 1 . . . . . 86 ILE C . 27692 1 601 . 1 1 86 86 ILE CA C 13 65.162 0.06 . 1 . . . . . 86 ILE CA . 27692 1 602 . 1 1 86 86 ILE CB C 13 37.269 0.04 . 1 . . . . . 86 ILE CB . 27692 1 603 . 1 1 86 86 ILE CG1 C 13 29.421 0 . 1 . . . . . 86 ILE CG1 . 27692 1 604 . 1 1 86 86 ILE CG2 C 13 19.008 0.03 . 1 . . . . . 86 ILE CG2 . 27692 1 605 . 1 1 86 86 ILE CD1 C 13 13.193 0.06 . 1 . . . . . 86 ILE CD1 . 27692 1 606 . 1 1 87 87 ARG H H 1 8.399 0 . 1 . . . . . 87 ARG H . 27692 1 607 . 1 1 87 87 ARG HA H 1 4.184 0 . 1 . . . . . 87 ARG HA . 27692 1 608 . 1 1 87 87 ARG HB2 H 1 2.086 0 . 2 . . . . . 87 ARG HB2 . 27692 1 609 . 1 1 87 87 ARG HB3 H 1 1.884 0 . 2 . . . . . 87 ARG HB3 . 27692 1 610 . 1 1 87 87 ARG C C 13 179.271 0 . 1 . . . . . 87 ARG C . 27692 1 611 . 1 1 87 87 ARG CA C 13 60.219 0.08 . 1 . . . . . 87 ARG CA . 27692 1 612 . 1 1 87 87 ARG CB C 13 29.746 0.05 . 1 . . . . . 87 ARG CB . 27692 1 613 . 1 1 87 87 ARG N N 15 121.719 0.03 . 1 . . . . . 87 ARG N . 27692 1 614 . 1 1 88 88 GLU H H 1 8.146 0 . 1 . . . . . 88 GLU H . 27692 1 615 . 1 1 88 88 GLU HA H 1 4.167 0 . 1 . . . . . 88 GLU HA . 27692 1 616 . 1 1 88 88 GLU C C 13 178.664 0 . 1 . . . . . 88 GLU C . 27692 1 617 . 1 1 88 88 GLU CA C 13 59.123 0.03 . 1 . . . . . 88 GLU CA . 27692 1 618 . 1 1 88 88 GLU CB C 13 29.188 0.03 . 1 . . . . . 88 GLU CB . 27692 1 619 . 1 1 88 88 GLU N N 15 118.904 0.03 . 1 . . . . . 88 GLU N . 27692 1 620 . 1 1 89 89 ALA H H 1 7.938 0.01 . 1 . . . . . 89 ALA H . 27692 1 621 . 1 1 89 89 ALA HA H 1 4.106 0 . 1 . . . . . 89 ALA HA . 27692 1 622 . 1 1 89 89 ALA HB1 H 1 1.789 0.01 . 1 . . . . . 89 ALA HB . 27692 1 623 . 1 1 89 89 ALA HB2 H 1 1.789 0.01 . 1 . . . . . 89 ALA HB . 27692 1 624 . 1 1 89 89 ALA HB3 H 1 1.789 0.01 . 1 . . . . . 89 ALA HB . 27692 1 625 . 1 1 89 89 ALA C C 13 178.519 0 . 1 . . . . . 89 ALA C . 27692 1 626 . 1 1 89 89 ALA CA C 13 55.422 0.03 . 1 . . . . . 89 ALA CA . 27692 1 627 . 1 1 89 89 ALA CB C 13 17.736 0.11 . 1 . . . . . 89 ALA CB . 27692 1 628 . 1 1 89 89 ALA N N 15 122.145 0.04 . 1 . . . . . 89 ALA N . 27692 1 629 . 1 1 90 90 PHE H H 1 8.615 0 . 1 . . . . . 90 PHE H . 27692 1 630 . 1 1 90 90 PHE HB3 H 1 3.158 0 . 2 . . . . . 90 PHE HB3 . 27692 1 631 . 1 1 90 90 PHE C C 13 176.856 0 . 1 . . . . . 90 PHE C . 27692 1 632 . 1 1 90 90 PHE CA C 13 62.233 0.03 . 1 . . . . . 90 PHE CA . 27692 1 633 . 1 1 90 90 PHE CB C 13 39.024 0.06 . 1 . . . . . 90 PHE CB . 27692 1 634 . 1 1 90 90 PHE N N 15 119.106 0.02 . 1 . . . . . 90 PHE N . 27692 1 635 . 1 1 91 91 ARG H H 1 7.786 0.01 . 1 . . . . . 91 ARG H . 27692 1 636 . 1 1 91 91 ARG HA H 1 3.855 0 . 1 . . . . . 91 ARG HA . 27692 1 637 . 1 1 91 91 ARG HB2 H 1 1.984 0 . 2 . . . . . 91 ARG HB2 . 27692 1 638 . 1 1 91 91 ARG C C 13 178.124 0 . 1 . . . . . 91 ARG C . 27692 1 639 . 1 1 91 91 ARG CA C 13 58.916 0.03 . 1 . . . . . 91 ARG CA . 27692 1 640 . 1 1 91 91 ARG CB C 13 30.279 0.01 . 1 . . . . . 91 ARG CB . 27692 1 641 . 1 1 91 91 ARG N N 15 116.247 0.03 . 1 . . . . . 91 ARG N . 27692 1 642 . 1 1 92 92 VAL H H 1 7.549 0.01 . 1 . . . . . 92 VAL H . 27692 1 643 . 1 1 92 92 VAL HA H 1 3.473 0 . 1 . . . . . 92 VAL HA . 27692 1 644 . 1 1 92 92 VAL HG11 H 1 0.658 0 . 2 . . . . . 92 VAL HG . 27692 1 645 . 1 1 92 92 VAL HG12 H 1 0.658 0 . 2 . . . . . 92 VAL HG . 27692 1 646 . 1 1 92 92 VAL HG13 H 1 0.658 0 . 2 . . . . . 92 VAL HG . 27692 1 647 . 1 1 92 92 VAL HG21 H 1 0.658 0 . 2 . . . . . 92 VAL HG . 27692 1 648 . 1 1 92 92 VAL HG22 H 1 0.658 0 . 2 . . . . . 92 VAL HG . 27692 1 649 . 1 1 92 92 VAL HG23 H 1 0.658 0 . 2 . . . . . 92 VAL HG . 27692 1 650 . 1 1 92 92 VAL C C 13 177.34 0 . 1 . . . . . 92 VAL C . 27692 1 651 . 1 1 92 92 VAL CA C 13 65.83 0 . 1 . . . . . 92 VAL CA . 27692 1 652 . 1 1 92 92 VAL CB C 13 31.199 0 . 1 . . . . . 92 VAL CB . 27692 1 653 . 1 1 92 92 VAL CG1 C 13 22.718 0 . 2 . . . . . 92 VAL CG# . 27692 1 654 . 1 1 92 92 VAL CG2 C 13 22.718 0 . 2 . . . . . 92 VAL CG# . 27692 1 655 . 1 1 92 92 VAL N N 15 118.581 0.04 . 1 . . . . . 92 VAL N . 27692 1 656 . 1 1 93 93 PHE H H 1 7.124 0.01 . 1 . . . . . 93 PHE H . 27692 1 657 . 1 1 93 93 PHE CA C 13 60.397 0 . 1 . . . . . 93 PHE CA . 27692 1 658 . 1 1 93 93 PHE CB C 13 41.432 0 . 1 . . . . . 93 PHE CB . 27692 1 659 . 1 1 93 93 PHE N N 15 114.786 0.06 . 1 . . . . . 93 PHE N . 27692 1 660 . 1 1 95 95 LYS C C 13 178.195 0 . 1 . . . . . 95 LYS C . 27692 1 661 . 1 1 95 95 LYS CA C 13 58.645 0 . 1 . . . . . 95 LYS CA . 27692 1 662 . 1 1 95 95 LYS CB C 13 32.69 0 . 1 . . . . . 95 LYS CB . 27692 1 663 . 1 1 96 96 ASP H H 1 8.101 0.01 . 1 . . . . . 96 ASP H . 27692 1 664 . 1 1 96 96 ASP HA H 1 4.583 0 . 1 . . . . . 96 ASP HA . 27692 1 665 . 1 1 96 96 ASP HB2 H 1 3.099 0 . 2 . . . . . 96 ASP HB2 . 27692 1 666 . 1 1 96 96 ASP HB3 H 1 2.648 0 . 2 . . . . . 96 ASP HB3 . 27692 1 667 . 1 1 96 96 ASP C C 13 177.671 0 . 1 . . . . . 96 ASP C . 27692 1 668 . 1 1 96 96 ASP CA C 13 52.976 0.02 . 1 . . . . . 96 ASP CA . 27692 1 669 . 1 1 96 96 ASP CB C 13 39.521 0.04 . 1 . . . . . 96 ASP CB . 27692 1 670 . 1 1 96 96 ASP N N 15 114.318 0.02 . 1 . . . . . 96 ASP N . 27692 1 671 . 1 1 97 97 GLY H H 1 7.761 0.01 . 1 . . . . . 97 GLY H . 27692 1 672 . 1 1 97 97 GLY HA2 H 1 3.849 0 . 2 . . . . . 97 GLY HA2 . 27692 1 673 . 1 1 97 97 GLY C C 13 175.092 0 . 1 . . . . . 97 GLY C . 27692 1 674 . 1 1 97 97 GLY CA C 13 47.189 0.01 . 1 . . . . . 97 GLY CA . 27692 1 675 . 1 1 97 97 GLY N N 15 109.16 0.02 . 1 . . . . . 97 GLY N . 27692 1 676 . 1 1 98 98 ASN H H 1 8.332 0.01 . 1 . . . . . 98 ASN H . 27692 1 677 . 1 1 98 98 ASN HA H 1 4.666 0 . 1 . . . . . 98 ASN HA . 27692 1 678 . 1 1 98 98 ASN HB2 H 1 3.418 0 . 2 . . . . . 98 ASN HB2 . 27692 1 679 . 1 1 98 98 ASN HB3 H 1 2.667 0 . 2 . . . . . 98 ASN HB3 . 27692 1 680 . 1 1 98 98 ASN C C 13 176.106 0 . 1 . . . . . 98 ASN C . 27692 1 681 . 1 1 98 98 ASN CA C 13 52.711 0.06 . 1 . . . . . 98 ASN CA . 27692 1 682 . 1 1 98 98 ASN CB C 13 38.185 0.01 . 1 . . . . . 98 ASN CB . 27692 1 683 . 1 1 98 98 ASN N N 15 119.491 0.01 . 1 . . . . . 98 ASN N . 27692 1 684 . 1 1 99 99 GLY H H 1 10.592 0.01 . 1 . . . . . 99 GLY H . 27692 1 685 . 1 1 99 99 GLY HA2 H 1 4.059 0 . 2 . . . . . 99 GLY HA2 . 27692 1 686 . 1 1 99 99 GLY HA3 H 1 3.456 0 . 2 . . . . . 99 GLY HA3 . 27692 1 687 . 1 1 99 99 GLY C C 13 172.416 0 . 1 . . . . . 99 GLY C . 27692 1 688 . 1 1 99 99 GLY CA C 13 45.152 0.02 . 1 . . . . . 99 GLY CA . 27692 1 689 . 1 1 99 99 GLY N N 15 112.816 0.03 . 1 . . . . . 99 GLY N . 27692 1 690 . 1 1 100 100 TYR H H 1 7.621 0.01 . 1 . . . . . 100 TYR H . 27692 1 691 . 1 1 100 100 TYR HA H 1 5.059 0 . 1 . . . . . 100 TYR HA . 27692 1 692 . 1 1 100 100 TYR HB2 H 1 2.523 0 . 2 . . . . . 100 TYR HB2 . 27692 1 693 . 1 1 100 100 TYR C C 13 174.58 0 . 1 . . . . . 100 TYR C . 27692 1 694 . 1 1 100 100 TYR CA C 13 56.234 0.03 . 1 . . . . . 100 TYR CA . 27692 1 695 . 1 1 100 100 TYR CB C 13 43.181 0.04 . 1 . . . . . 100 TYR CB . 27692 1 696 . 1 1 100 100 TYR N N 15 115.835 0.02 . 1 . . . . . 100 TYR N . 27692 1 697 . 1 1 101 101 ILE H H 1 10.138 0.01 . 1 . . . . . 101 ILE H . 27692 1 698 . 1 1 101 101 ILE HA H 1 4.779 0 . 1 . . . . . 101 ILE HA . 27692 1 699 . 1 1 101 101 ILE HB H 1 1.776 0 . 1 . . . . . 101 ILE HB . 27692 1 700 . 1 1 101 101 ILE HG21 H 1 0.831 0.01 . 1 . . . . . 101 ILE HG2 . 27692 1 701 . 1 1 101 101 ILE HG22 H 1 0.831 0.01 . 1 . . . . . 101 ILE HG2 . 27692 1 702 . 1 1 101 101 ILE HG23 H 1 0.831 0.01 . 1 . . . . . 101 ILE HG2 . 27692 1 703 . 1 1 101 101 ILE HD11 H 1 0.164 0.01 . 1 . . . . . 101 ILE HD1 . 27692 1 704 . 1 1 101 101 ILE HD12 H 1 0.164 0.01 . 1 . . . . . 101 ILE HD1 . 27692 1 705 . 1 1 101 101 ILE HD13 H 1 0.164 0.01 . 1 . . . . . 101 ILE HD1 . 27692 1 706 . 1 1 101 101 ILE C C 13 175.442 0 . 1 . . . . . 101 ILE C . 27692 1 707 . 1 1 101 101 ILE CA C 13 60.726 0.05 . 1 . . . . . 101 ILE CA . 27692 1 708 . 1 1 101 101 ILE CB C 13 38.868 0.08 . 1 . . . . . 101 ILE CB . 27692 1 709 . 1 1 101 101 ILE CG1 C 13 27.058 0 . 1 . . . . . 101 ILE CG1 . 27692 1 710 . 1 1 101 101 ILE CG2 C 13 17.422 0.11 . 1 . . . . . 101 ILE CG2 . 27692 1 711 . 1 1 101 101 ILE CD1 C 13 15.843 0 . 1 . . . . . 101 ILE CD1 . 27692 1 712 . 1 1 101 101 ILE N N 15 127.209 0.07 . 1 . . . . . 101 ILE N . 27692 1 713 . 1 1 102 102 SER H H 1 8.899 0.01 . 1 . . . . . 102 SER H . 27692 1 714 . 1 1 102 102 SER HA H 1 4.874 0 . 1 . . . . . 102 SER HA . 27692 1 715 . 1 1 102 102 SER HB2 H 1 4.448 0 . 2 . . . . . 102 SER HB2 . 27692 1 716 . 1 1 102 102 SER HB3 H 1 3.989 0 . 2 . . . . . 102 SER HB3 . 27692 1 717 . 1 1 102 102 SER C C 13 175.269 0 . 1 . . . . . 102 SER C . 27692 1 718 . 1 1 102 102 SER CA C 13 55.894 0.03 . 1 . . . . . 102 SER CA . 27692 1 719 . 1 1 102 102 SER CB C 13 66.902 0.04 . 1 . . . . . 102 SER CB . 27692 1 720 . 1 1 102 102 SER N N 15 123.6 0.03 . 1 . . . . . 102 SER N . 27692 1 721 . 1 1 103 103 ALA H H 1 9.212 0.01 . 1 . . . . . 103 ALA H . 27692 1 722 . 1 1 103 103 ALA HA H 1 3.92 0 . 1 . . . . . 103 ALA HA . 27692 1 723 . 1 1 103 103 ALA HB1 H 1 1.477 0 . 1 . . . . . 103 ALA HB . 27692 1 724 . 1 1 103 103 ALA HB2 H 1 1.477 0 . 1 . . . . . 103 ALA HB . 27692 1 725 . 1 1 103 103 ALA HB3 H 1 1.477 0 . 1 . . . . . 103 ALA HB . 27692 1 726 . 1 1 103 103 ALA C C 13 179.376 0 . 1 . . . . . 103 ALA C . 27692 1 727 . 1 1 103 103 ALA CA C 13 56.053 0.02 . 1 . . . . . 103 ALA CA . 27692 1 728 . 1 1 103 103 ALA CB C 13 17.936 0.02 . 1 . . . . . 103 ALA CB . 27692 1 729 . 1 1 103 103 ALA N N 15 123.093 0.02 . 1 . . . . . 103 ALA N . 27692 1 730 . 1 1 104 104 ALA H H 1 8.248 0 . 1 . . . . . 104 ALA H . 27692 1 731 . 1 1 104 104 ALA HA H 1 4.056 0 . 1 . . . . . 104 ALA HA . 27692 1 732 . 1 1 104 104 ALA HB1 H 1 1.429 0 . 1 . . . . . 104 ALA HB . 27692 1 733 . 1 1 104 104 ALA HB2 H 1 1.429 0 . 1 . . . . . 104 ALA HB . 27692 1 734 . 1 1 104 104 ALA HB3 H 1 1.429 0 . 1 . . . . . 104 ALA HB . 27692 1 735 . 1 1 104 104 ALA C C 13 181.422 0 . 1 . . . . . 104 ALA C . 27692 1 736 . 1 1 104 104 ALA CA C 13 55.268 0.02 . 1 . . . . . 104 ALA CA . 27692 1 737 . 1 1 104 104 ALA CB C 13 18.297 0.05 . 1 . . . . . 104 ALA CB . 27692 1 738 . 1 1 104 104 ALA N N 15 118.46 0.02 . 1 . . . . . 104 ALA N . 27692 1 739 . 1 1 105 105 GLU H H 1 7.882 0.01 . 1 . . . . . 105 GLU H . 27692 1 740 . 1 1 105 105 GLU HA H 1 4.094 0 . 1 . . . . . 105 GLU HA . 27692 1 741 . 1 1 105 105 GLU C C 13 179.794 0 . 1 . . . . . 105 GLU C . 27692 1 742 . 1 1 105 105 GLU CA C 13 59.362 0 . 1 . . . . . 105 GLU CA . 27692 1 743 . 1 1 105 105 GLU CB C 13 29.181 0 . 1 . . . . . 105 GLU CB . 27692 1 744 . 1 1 105 105 GLU N N 15 119.949 0.04 . 1 . . . . . 105 GLU N . 27692 1 745 . 1 1 106 106 LEU H H 1 8.457 0 . 1 . . . . . 106 LEU H . 27692 1 746 . 1 1 106 106 LEU HA H 1 4.29 0 . 1 . . . . . 106 LEU HA . 27692 1 747 . 1 1 106 106 LEU HB2 H 1 1.667 0 . 2 . . . . . 106 LEU HB2 . 27692 1 748 . 1 1 106 106 LEU HG H 1 1.861 0 . 1 . . . . . 106 LEU HG . 27692 1 749 . 1 1 106 106 LEU HD21 H 1 0.835 0.01 . 2 . . . . . 106 LEU HD2 . 27692 1 750 . 1 1 106 106 LEU HD22 H 1 0.835 0.01 . 2 . . . . . 106 LEU HD2 . 27692 1 751 . 1 1 106 106 LEU HD23 H 1 0.835 0.01 . 2 . . . . . 106 LEU HD2 . 27692 1 752 . 1 1 106 106 LEU C C 13 178.811 0 . 1 . . . . . 106 LEU C . 27692 1 753 . 1 1 106 106 LEU CA C 13 59.052 0.18 . 1 . . . . . 106 LEU CA . 27692 1 754 . 1 1 106 106 LEU CB C 13 42.251 0.05 . 1 . . . . . 106 LEU CB . 27692 1 755 . 1 1 106 106 LEU CD2 C 13 25.527 0.03 . 1 . . . . . 106 LEU CD2 . 27692 1 756 . 1 1 106 106 LEU N N 15 122.039 0.06 . 1 . . . . . 106 LEU N . 27692 1 757 . 1 1 107 107 ARG H H 1 8.669 0 . 1 . . . . . 107 ARG H . 27692 1 758 . 1 1 107 107 ARG HA H 1 3.835 0 . 1 . . . . . 107 ARG HA . 27692 1 759 . 1 1 107 107 ARG HB2 H 1 1.982 0 . 2 . . . . . 107 ARG HB2 . 27692 1 760 . 1 1 107 107 ARG C C 13 178.576 0 . 1 . . . . . 107 ARG C . 27692 1 761 . 1 1 107 107 ARG CA C 13 60.119 0.05 . 1 . . . . . 107 ARG CA . 27692 1 762 . 1 1 107 107 ARG CB C 13 30.354 0.08 . 1 . . . . . 107 ARG CB . 27692 1 763 . 1 1 107 107 ARG N N 15 118.055 0.05 . 1 . . . . . 107 ARG N . 27692 1 764 . 1 1 108 108 HIS H H 1 8.177 0.01 . 1 . . . . . 108 HIS H . 27692 1 765 . 1 1 108 108 HIS C C 13 177.85 0 . 1 . . . . . 108 HIS C . 27692 1 766 . 1 1 108 108 HIS CA C 13 60.079 0.07 . 1 . . . . . 108 HIS CA . 27692 1 767 . 1 1 108 108 HIS CB C 13 30.389 0.05 . 1 . . . . . 108 HIS CB . 27692 1 768 . 1 1 108 108 HIS N N 15 119.95 0.03 . 1 . . . . . 108 HIS N . 27692 1 769 . 1 1 109 109 VAL H H 1 7.698 0.01 . 1 . . . . . 109 VAL H . 27692 1 770 . 1 1 109 109 VAL HA H 1 3.522 0 . 1 . . . . . 109 VAL HA . 27692 1 771 . 1 1 109 109 VAL HG11 H 1 0.476 0 . 1 . . . . . 109 VAL HG1 . 27692 1 772 . 1 1 109 109 VAL HG12 H 1 0.476 0 . 1 . . . . . 109 VAL HG1 . 27692 1 773 . 1 1 109 109 VAL HG13 H 1 0.476 0 . 1 . . . . . 109 VAL HG1 . 27692 1 774 . 1 1 109 109 VAL HG21 H 1 0.492 0 . 2 . . . . . 109 VAL HG2 . 27692 1 775 . 1 1 109 109 VAL HG22 H 1 0.492 0 . 2 . . . . . 109 VAL HG2 . 27692 1 776 . 1 1 109 109 VAL HG23 H 1 0.492 0 . 2 . . . . . 109 VAL HG2 . 27692 1 777 . 1 1 109 109 VAL C C 13 177.841 0 . 1 . . . . . 109 VAL C . 27692 1 778 . 1 1 109 109 VAL CA C 13 66.382 0.06 . 1 . . . . . 109 VAL CA . 27692 1 779 . 1 1 109 109 VAL CB C 13 31.823 0 . 1 . . . . . 109 VAL CB . 27692 1 780 . 1 1 109 109 VAL CG2 C 13 21.131 0 . 1 . . . . . 109 VAL CG2 . 27692 1 781 . 1 1 109 109 VAL N N 15 118.685 0.04 . 1 . . . . . 109 VAL N . 27692 1 782 . 1 1 110 110 MET H H 1 8.152 0.01 . 1 . . . . . 110 MET H . 27692 1 783 . 1 1 110 110 MET C C 13 178.354 0 . 1 . . . . . 110 MET C . 27692 1 784 . 1 1 110 110 MET CA C 13 58.586 0.04 . 1 . . . . . 110 MET CA . 27692 1 785 . 1 1 110 110 MET CB C 13 31.349 0.08 . 1 . . . . . 110 MET CB . 27692 1 786 . 1 1 110 110 MET N N 15 116.77 0.02 . 1 . . . . . 110 MET N . 27692 1 787 . 1 1 111 111 THR H H 1 8.326 0.01 . 1 . . . . . 111 THR H . 27692 1 788 . 1 1 111 111 THR C C 13 177.867 0 . 1 . . . . . 111 THR C . 27692 1 789 . 1 1 111 111 THR CA C 13 65.944 0.04 . 1 . . . . . 111 THR CA . 27692 1 790 . 1 1 111 111 THR CB C 13 68.933 0.05 . 1 . . . . . 111 THR CB . 27692 1 791 . 1 1 111 111 THR CG2 C 13 21.542 0 . 1 . . . . . 111 THR CG2 . 27692 1 792 . 1 1 111 111 THR N N 15 114.489 0.04 . 1 . . . . . 111 THR N . 27692 1 793 . 1 1 112 112 ASN H H 1 7.786 0 . 1 . . . . . 112 ASN H . 27692 1 794 . 1 1 112 112 ASN HA H 1 4.469 0 . 1 . . . . . 112 ASN HA . 27692 1 795 . 1 1 112 112 ASN HB2 H 1 2.671 0 . 2 . . . . . 112 ASN HB . 27692 1 796 . 1 1 112 112 ASN HB3 H 1 2.671 0 . 2 . . . . . 112 ASN HB . 27692 1 797 . 1 1 112 112 ASN C C 13 176.325 0 . 1 . . . . . 112 ASN C . 27692 1 798 . 1 1 112 112 ASN CA C 13 55.892 0.06 . 1 . . . . . 112 ASN CA . 27692 1 799 . 1 1 112 112 ASN CB C 13 38.43 0.06 . 1 . . . . . 112 ASN CB . 27692 1 800 . 1 1 112 112 ASN N N 15 122.164 0.04 . 1 . . . . . 112 ASN N . 27692 1 801 . 1 1 113 113 LEU H H 1 7.688 0 . 1 . . . . . 113 LEU H . 27692 1 802 . 1 1 113 113 LEU HA H 1 4.317 0.01 . 1 . . . . . 113 LEU HA . 27692 1 803 . 1 1 113 113 LEU HB2 H 1 1.7 0.01 . 2 . . . . . 113 LEU HB . 27692 1 804 . 1 1 113 113 LEU HB3 H 1 1.7 0.01 . 2 . . . . . 113 LEU HB . 27692 1 805 . 1 1 113 113 LEU HD11 H 1 0.766 0.02 . 2 . . . . . 113 LEU HD1 . 27692 1 806 . 1 1 113 113 LEU HD12 H 1 0.766 0.02 . 2 . . . . . 113 LEU HD1 . 27692 1 807 . 1 1 113 113 LEU HD13 H 1 0.766 0.02 . 2 . . . . . 113 LEU HD1 . 27692 1 808 . 1 1 113 113 LEU C C 13 177.187 0 . 1 . . . . . 113 LEU C . 27692 1 809 . 1 1 113 113 LEU CA C 13 55.317 0.06 . 1 . . . . . 113 LEU CA . 27692 1 810 . 1 1 113 113 LEU CB C 13 42.199 0.05 . 1 . . . . . 113 LEU CB . 27692 1 811 . 1 1 113 113 LEU CD1 C 13 25.914 0.04 . 1 . . . . . 113 LEU CD1 . 27692 1 812 . 1 1 113 113 LEU CD2 C 13 23.071 0 . 1 . . . . . 113 LEU CD2 . 27692 1 813 . 1 1 113 113 LEU N N 15 118.44 0.03 . 1 . . . . . 113 LEU N . 27692 1 814 . 1 1 114 114 GLY H H 1 7.795 0.01 . 1 . . . . . 114 GLY H . 27692 1 815 . 1 1 114 114 GLY HA2 H 1 4.175 0 . 2 . . . . . 114 GLY HA2 . 27692 1 816 . 1 1 114 114 GLY HA3 H 1 3.762 0 . 2 . . . . . 114 GLY HA3 . 27692 1 817 . 1 1 114 114 GLY C C 13 174.446 0 . 1 . . . . . 114 GLY C . 27692 1 818 . 1 1 114 114 GLY CA C 13 45.531 0.01 . 1 . . . . . 114 GLY CA . 27692 1 819 . 1 1 114 114 GLY N N 15 106.876 0.04 . 1 . . . . . 114 GLY N . 27692 1 820 . 1 1 115 115 GLU H H 1 7.623 0.01 . 1 . . . . . 115 GLU H . 27692 1 821 . 1 1 115 115 GLU CA C 13 54.993 0 . 1 . . . . . 115 GLU CA . 27692 1 822 . 1 1 115 115 GLU CB C 13 30.486 0 . 1 . . . . . 115 GLU CB . 27692 1 823 . 1 1 115 115 GLU N N 15 119.314 0.03 . 1 . . . . . 115 GLU N . 27692 1 824 . 1 1 116 116 LYS C C 13 175.608 0 . 1 . . . . . 116 LYS C . 27692 1 825 . 1 1 116 116 LYS CA C 13 55.742 0 . 1 . . . . . 116 LYS CA . 27692 1 826 . 1 1 116 116 LYS CB C 13 32.097 0 . 1 . . . . . 116 LYS CB . 27692 1 827 . 1 1 117 117 LEU H H 1 8.048 0 . 1 . . . . . 117 LEU H . 27692 1 828 . 1 1 117 117 LEU HA H 1 4.814 0.02 . 1 . . . . . 117 LEU HA . 27692 1 829 . 1 1 117 117 LEU HB2 H 1 1.518 0.02 . 2 . . . . . 117 LEU HB2 . 27692 1 830 . 1 1 117 117 LEU HD21 H 1 0.796 0 . 2 . . . . . 117 LEU HD2 . 27692 1 831 . 1 1 117 117 LEU HD22 H 1 0.796 0 . 2 . . . . . 117 LEU HD2 . 27692 1 832 . 1 1 117 117 LEU HD23 H 1 0.796 0 . 2 . . . . . 117 LEU HD2 . 27692 1 833 . 1 1 117 117 LEU C C 13 177.612 0 . 1 . . . . . 117 LEU C . 27692 1 834 . 1 1 117 117 LEU CA C 13 54.326 0.04 . 1 . . . . . 117 LEU CA . 27692 1 835 . 1 1 117 117 LEU CB C 13 44.559 0.1 . 1 . . . . . 117 LEU CB . 27692 1 836 . 1 1 117 117 LEU CD2 C 13 26.673 0.17 . 1 . . . . . 117 LEU CD2 . 27692 1 837 . 1 1 117 117 LEU N N 15 124.525 0.04 . 1 . . . . . 117 LEU N . 27692 1 838 . 1 1 118 118 THR H H 1 9.224 0.04 . 1 . . . . . 118 THR H . 27692 1 839 . 1 1 118 118 THR HA H 1 4.482 0 . 1 . . . . . 118 THR HA . 27692 1 840 . 1 1 118 118 THR HB H 1 4.771 0 . 1 . . . . . 118 THR HB . 27692 1 841 . 1 1 118 118 THR HG21 H 1 1.348 0 . 1 . . . . . 118 THR HG2 . 27692 1 842 . 1 1 118 118 THR HG22 H 1 1.348 0 . 1 . . . . . 118 THR HG2 . 27692 1 843 . 1 1 118 118 THR HG23 H 1 1.348 0 . 1 . . . . . 118 THR HG2 . 27692 1 844 . 1 1 118 118 THR C C 13 175.531 0 . 1 . . . . . 118 THR C . 27692 1 845 . 1 1 118 118 THR CA C 13 60.721 0.03 . 1 . . . . . 118 THR CA . 27692 1 846 . 1 1 118 118 THR CB C 13 71.3 0.07 . 1 . . . . . 118 THR CB . 27692 1 847 . 1 1 118 118 THR CG2 C 13 21.852 0.02 . 1 . . . . . 118 THR CG2 . 27692 1 848 . 1 1 118 118 THR N N 15 114.618 0.12 . 1 . . . . . 118 THR N . 27692 1 849 . 1 1 119 119 ASP H H 1 8.892 0 . 1 . . . . . 119 ASP H . 27692 1 850 . 1 1 119 119 ASP HA H 1 3.947 0 . 1 . . . . . 119 ASP HA . 27692 1 851 . 1 1 119 119 ASP HB2 H 1 2.043 0 . 2 . . . . . 119 ASP HB . 27692 1 852 . 1 1 119 119 ASP HB3 H 1 2.043 0 . 2 . . . . . 119 ASP HB . 27692 1 853 . 1 1 119 119 ASP C C 13 179.386 0 . 1 . . . . . 119 ASP C . 27692 1 854 . 1 1 119 119 ASP CA C 13 58.164 0.05 . 1 . . . . . 119 ASP CA . 27692 1 855 . 1 1 119 119 ASP CB C 13 39.7 0.04 . 1 . . . . . 119 ASP CB . 27692 1 856 . 1 1 119 119 ASP N N 15 121.016 0.02 . 1 . . . . . 119 ASP N . 27692 1 857 . 1 1 120 120 GLU H H 1 8.708 0.01 . 1 . . . . . 120 GLU H . 27692 1 858 . 1 1 120 120 GLU HA H 1 4.042 0 . 1 . . . . . 120 GLU HA . 27692 1 859 . 1 1 120 120 GLU HB3 H 1 1.975 0 . 2 . . . . . 120 GLU HB3 . 27692 1 860 . 1 1 120 120 GLU C C 13 179.199 0 . 1 . . . . . 120 GLU C . 27692 1 861 . 1 1 120 120 GLU CA C 13 60.243 0.04 . 1 . . . . . 120 GLU CA . 27692 1 862 . 1 1 120 120 GLU CB C 13 29.038 0.03 . 1 . . . . . 120 GLU CB . 27692 1 863 . 1 1 120 120 GLU N N 15 119.28 0.16 . 1 . . . . . 120 GLU N . 27692 1 864 . 1 1 121 121 GLU H H 1 7.709 0 . 1 . . . . . 121 GLU H . 27692 1 865 . 1 1 121 121 GLU HA H 1 4.169 0 . 1 . . . . . 121 GLU HA . 27692 1 866 . 1 1 121 121 GLU C C 13 178.682 0 . 1 . . . . . 121 GLU C . 27692 1 867 . 1 1 121 121 GLU CA C 13 59.237 0.4 . 1 . . . . . 121 GLU CA . 27692 1 868 . 1 1 121 121 GLU CB C 13 29.743 0.64 . 1 . . . . . 121 GLU CB . 27692 1 869 . 1 1 121 121 GLU N N 15 120.458 0.03 . 1 . . . . . 121 GLU N . 27692 1 870 . 1 1 122 122 VAL H H 1 7.963 0.01 . 1 . . . . . 122 VAL H . 27692 1 871 . 1 1 122 122 VAL HA H 1 3.615 0.01 . 1 . . . . . 122 VAL HA . 27692 1 872 . 1 1 122 122 VAL HB H 1 2.236 0 . 1 . . . . . 122 VAL HB . 27692 1 873 . 1 1 122 122 VAL HG11 H 1 0.974 0.01 . 2 . . . . . 122 VAL HG1 . 27692 1 874 . 1 1 122 122 VAL HG12 H 1 0.974 0.01 . 2 . . . . . 122 VAL HG1 . 27692 1 875 . 1 1 122 122 VAL HG13 H 1 0.974 0.01 . 2 . . . . . 122 VAL HG1 . 27692 1 876 . 1 1 122 122 VAL C C 13 177.307 0 . 1 . . . . . 122 VAL C . 27692 1 877 . 1 1 122 122 VAL CA C 13 66.975 0.01 . 1 . . . . . 122 VAL CA . 27692 1 878 . 1 1 122 122 VAL CB C 13 31.174 0.12 . 1 . . . . . 122 VAL CB . 27692 1 879 . 1 1 122 122 VAL CG1 C 13 23.779 0.04 . 1 . . . . . 122 VAL CG1 . 27692 1 880 . 1 1 122 122 VAL N N 15 119.683 0.03 . 1 . . . . . 122 VAL N . 27692 1 881 . 1 1 123 123 ASP H H 1 8.059 0 . 1 . . . . . 123 ASP H . 27692 1 882 . 1 1 123 123 ASP HA H 1 4.36 0 . 1 . . . . . 123 ASP HA . 27692 1 883 . 1 1 123 123 ASP C C 13 179.25 0 . 1 . . . . . 123 ASP C . 27692 1 884 . 1 1 123 123 ASP CA C 13 57.786 0.05 . 1 . . . . . 123 ASP CA . 27692 1 885 . 1 1 123 123 ASP CB C 13 40.529 0.01 . 1 . . . . . 123 ASP CB . 27692 1 886 . 1 1 123 123 ASP N N 15 119.831 0.04 . 1 . . . . . 123 ASP N . 27692 1 887 . 1 1 124 124 GLU H H 1 7.992 0.01 . 1 . . . . . 124 GLU H . 27692 1 888 . 1 1 124 124 GLU HA H 1 4.042 0 . 1 . . . . . 124 GLU HA . 27692 1 889 . 1 1 124 124 GLU HB3 H 1 2.114 0 . 2 . . . . . 124 GLU HB3 . 27692 1 890 . 1 1 124 124 GLU C C 13 178.016 0 . 1 . . . . . 124 GLU C . 27692 1 891 . 1 1 124 124 GLU CA C 13 59.322 0.07 . 1 . . . . . 124 GLU CA . 27692 1 892 . 1 1 124 124 GLU CB C 13 29.541 0.05 . 1 . . . . . 124 GLU CB . 27692 1 893 . 1 1 124 124 GLU N N 15 119.586 0.05 . 1 . . . . . 124 GLU N . 27692 1 894 . 1 1 125 125 MET H H 1 7.796 0.01 . 1 . . . . . 125 MET H . 27692 1 895 . 1 1 125 125 MET HA H 1 4.081 0 . 1 . . . . . 125 MET HA . 27692 1 896 . 1 1 125 125 MET HB2 H 1 3.835 0 . 2 . . . . . 125 MET HB2 . 27692 1 897 . 1 1 125 125 MET C C 13 179.267 0 . 1 . . . . . 125 MET C . 27692 1 898 . 1 1 125 125 MET CA C 13 59.676 0.19 . 1 . . . . . 125 MET CA . 27692 1 899 . 1 1 125 125 MET CB C 13 33.2 0.05 . 1 . . . . . 125 MET CB . 27692 1 900 . 1 1 125 125 MET N N 15 119.473 0.04 . 1 . . . . . 125 MET N . 27692 1 901 . 1 1 126 126 ILE H H 1 7.832 0.01 . 1 . . . . . 126 ILE H . 27692 1 902 . 1 1 126 126 ILE HA H 1 3.514 0.01 . 1 . . . . . 126 ILE HA . 27692 1 903 . 1 1 126 126 ILE HB H 1 2.117 0 . 1 . . . . . 126 ILE HB . 27692 1 904 . 1 1 126 126 ILE HG12 H 1 1.351 0.01 . 2 . . . . . 126 ILE HG1 . 27692 1 905 . 1 1 126 126 ILE HG13 H 1 1.351 0.01 . 2 . . . . . 126 ILE HG1 . 27692 1 906 . 1 1 126 126 ILE HG21 H 1 0.737 0.01 . 1 . . . . . 126 ILE HG2 . 27692 1 907 . 1 1 126 126 ILE HG22 H 1 0.737 0.01 . 1 . . . . . 126 ILE HG2 . 27692 1 908 . 1 1 126 126 ILE HG23 H 1 0.737 0.01 . 1 . . . . . 126 ILE HG2 . 27692 1 909 . 1 1 126 126 ILE HD11 H 1 0.691 0 . 1 . . . . . 126 ILE HD1 . 27692 1 910 . 1 1 126 126 ILE HD12 H 1 0.691 0 . 1 . . . . . 126 ILE HD1 . 27692 1 911 . 1 1 126 126 ILE HD13 H 1 0.691 0 . 1 . . . . . 126 ILE HD1 . 27692 1 912 . 1 1 126 126 ILE C C 13 177.193 0 . 1 . . . . . 126 ILE C . 27692 1 913 . 1 1 126 126 ILE CA C 13 63.745 0.07 . 1 . . . . . 126 ILE CA . 27692 1 914 . 1 1 126 126 ILE CB C 13 36.327 0.08 . 1 . . . . . 126 ILE CB . 27692 1 915 . 1 1 126 126 ILE CG1 C 13 28.073 0.08 . 1 . . . . . 126 ILE CG1 . 27692 1 916 . 1 1 126 126 ILE CG2 C 13 16.518 0.14 . 1 . . . . . 126 ILE CG2 . 27692 1 917 . 1 1 126 126 ILE CD1 C 13 10.709 0 . 1 . . . . . 126 ILE CD1 . 27692 1 918 . 1 1 126 126 ILE N N 15 117.942 0.04 . 1 . . . . . 126 ILE N . 27692 1 919 . 1 1 127 127 ARG H H 1 8.344 0 . 1 . . . . . 127 ARG H . 27692 1 920 . 1 1 127 127 ARG HA H 1 4.037 0 . 1 . . . . . 127 ARG HA . 27692 1 921 . 1 1 127 127 ARG HB2 H 1 1.933 0 . 2 . . . . . 127 ARG HB . 27692 1 922 . 1 1 127 127 ARG HB3 H 1 1.933 0 . 2 . . . . . 127 ARG HB . 27692 1 923 . 1 1 127 127 ARG C C 13 179.378 0 . 1 . . . . . 127 ARG C . 27692 1 924 . 1 1 127 127 ARG CA C 13 59.9 0.06 . 1 . . . . . 127 ARG CA . 27692 1 925 . 1 1 127 127 ARG CB C 13 30.221 0.03 . 1 . . . . . 127 ARG CB . 27692 1 926 . 1 1 127 127 ARG N N 15 118.419 0.04 . 1 . . . . . 127 ARG N . 27692 1 927 . 1 1 128 128 GLU H H 1 8.042 0 . 1 . . . . . 128 GLU H . 27692 1 928 . 1 1 128 128 GLU HA H 1 4.029 0 . 1 . . . . . 128 GLU HA . 27692 1 929 . 1 1 128 128 GLU HB2 H 1 2.126 0 . 2 . . . . . 128 GLU HB2 . 27692 1 930 . 1 1 128 128 GLU C C 13 177.299 0 . 1 . . . . . 128 GLU C . 27692 1 931 . 1 1 128 128 GLU CA C 13 58.725 0.09 . 1 . . . . . 128 GLU CA . 27692 1 932 . 1 1 128 128 GLU CB C 13 29.852 0.05 . 1 . . . . . 128 GLU CB . 27692 1 933 . 1 1 128 128 GLU N N 15 116.105 0.01 . 1 . . . . . 128 GLU N . 27692 1 934 . 1 1 129 129 ALA H H 1 7.294 0.01 . 1 . . . . . 129 ALA H . 27692 1 935 . 1 1 129 129 ALA HA H 1 4.459 0 . 1 . . . . . 129 ALA HA . 27692 1 936 . 1 1 129 129 ALA HB1 H 1 1.449 0.01 . 1 . . . . . 129 ALA HB . 27692 1 937 . 1 1 129 129 ALA HB2 H 1 1.449 0.01 . 1 . . . . . 129 ALA HB . 27692 1 938 . 1 1 129 129 ALA HB3 H 1 1.449 0.01 . 1 . . . . . 129 ALA HB . 27692 1 939 . 1 1 129 129 ALA C C 13 177.99 0 . 1 . . . . . 129 ALA C . 27692 1 940 . 1 1 129 129 ALA CA C 13 52.176 0.01 . 1 . . . . . 129 ALA CA . 27692 1 941 . 1 1 129 129 ALA CB C 13 21.537 0.05 . 1 . . . . . 129 ALA CB . 27692 1 942 . 1 1 129 129 ALA N N 15 119.023 0.02 . 1 . . . . . 129 ALA N . 27692 1 943 . 1 1 130 130 ASP H H 1 7.93 0.02 . 1 . . . . . 130 ASP H . 27692 1 944 . 1 1 130 130 ASP HA H 1 4.521 0 . 1 . . . . . 130 ASP HA . 27692 1 945 . 1 1 130 130 ASP HB2 H 1 2.866 0 . 2 . . . . . 130 ASP HB2 . 27692 1 946 . 1 1 130 130 ASP HB3 H 1 2.489 0 . 2 . . . . . 130 ASP HB3 . 27692 1 947 . 1 1 130 130 ASP C C 13 176.001 0 . 1 . . . . . 130 ASP C . 27692 1 948 . 1 1 130 130 ASP CA C 13 54.125 0.05 . 1 . . . . . 130 ASP CA . 27692 1 949 . 1 1 130 130 ASP CB C 13 40.376 0.02 . 1 . . . . . 130 ASP CB . 27692 1 950 . 1 1 130 130 ASP N N 15 117.634 0.01 . 1 . . . . . 130 ASP N . 27692 1 951 . 1 1 131 131 ILE H H 1 8.281 0.01 . 1 . . . . . 131 ILE H . 27692 1 952 . 1 1 131 131 ILE HA H 1 3.909 0 . 1 . . . . . 131 ILE HA . 27692 1 953 . 1 1 131 131 ILE HB H 1 2.014 0 . 1 . . . . . 131 ILE HB . 27692 1 954 . 1 1 131 131 ILE HG12 H 1 1.708 0 . 1 . . . . . 131 ILE HG12 . 27692 1 955 . 1 1 131 131 ILE HG13 H 1 1.346 0 . 1 . . . . . 131 ILE HG13 . 27692 1 956 . 1 1 131 131 ILE HG21 H 1 1.151 0.19 . 1 . . . . . 131 ILE HG2 . 27692 1 957 . 1 1 131 131 ILE HG22 H 1 1.151 0.19 . 1 . . . . . 131 ILE HG2 . 27692 1 958 . 1 1 131 131 ILE HG23 H 1 1.151 0.19 . 1 . . . . . 131 ILE HG2 . 27692 1 959 . 1 1 131 131 ILE HD11 H 1 0.906 0.01 . 1 . . . . . 131 ILE HD1 . 27692 1 960 . 1 1 131 131 ILE HD12 H 1 0.906 0.01 . 1 . . . . . 131 ILE HD1 . 27692 1 961 . 1 1 131 131 ILE HD13 H 1 0.906 0.01 . 1 . . . . . 131 ILE HD1 . 27692 1 962 . 1 1 131 131 ILE C C 13 177.976 0 . 1 . . . . . 131 ILE C . 27692 1 963 . 1 1 131 131 ILE CA C 13 63.616 0.08 . 1 . . . . . 131 ILE CA . 27692 1 964 . 1 1 131 131 ILE CB C 13 38.498 0.07 . 1 . . . . . 131 ILE CB . 27692 1 965 . 1 1 131 131 ILE CG1 C 13 27.946 0.01 . 1 . . . . . 131 ILE CG1 . 27692 1 966 . 1 1 131 131 ILE CG2 C 13 17.358 0.03 . 1 . . . . . 131 ILE CG2 . 27692 1 967 . 1 1 131 131 ILE CD1 C 13 12.294 0 . 1 . . . . . 131 ILE CD1 . 27692 1 968 . 1 1 131 131 ILE N N 15 127.86 0.01 . 1 . . . . . 131 ILE N . 27692 1 969 . 1 1 132 132 ASP H H 1 8.355 0 . 1 . . . . . 132 ASP H . 27692 1 970 . 1 1 132 132 ASP HA H 1 4.55 0 . 1 . . . . . 132 ASP HA . 27692 1 971 . 1 1 132 132 ASP HB2 H 1 3.105 0 . 2 . . . . . 132 ASP HB2 . 27692 1 972 . 1 1 132 132 ASP HB3 H 1 2.662 0 . 2 . . . . . 132 ASP HB3 . 27692 1 973 . 1 1 132 132 ASP C C 13 178.317 0 . 1 . . . . . 132 ASP C . 27692 1 974 . 1 1 132 132 ASP CA C 13 53.918 0.02 . 1 . . . . . 132 ASP CA . 27692 1 975 . 1 1 132 132 ASP CB C 13 39.936 0 . 1 . . . . . 132 ASP CB . 27692 1 976 . 1 1 132 132 ASP N N 15 116.628 0.03 . 1 . . . . . 132 ASP N . 27692 1 977 . 1 1 133 133 GLY H H 1 7.606 0.01 . 1 . . . . . 133 GLY H . 27692 1 978 . 1 1 133 133 GLY HA2 H 1 3.987 0 . 2 . . . . . 133 GLY HA2 . 27692 1 979 . 1 1 133 133 GLY HA3 H 1 3.842 0 . 2 . . . . . 133 GLY HA3 . 27692 1 980 . 1 1 133 133 GLY C C 13 175.306 0 . 1 . . . . . 133 GLY C . 27692 1 981 . 1 1 133 133 GLY CA C 13 47.484 0.05 . 1 . . . . . 133 GLY CA . 27692 1 982 . 1 1 133 133 GLY N N 15 108.651 0.01 . 1 . . . . . 133 GLY N . 27692 1 983 . 1 1 134 134 ASP H H 1 8.368 0.01 . 1 . . . . . 134 ASP H . 27692 1 984 . 1 1 134 134 ASP HA H 1 4.485 0 . 1 . . . . . 134 ASP HA . 27692 1 985 . 1 1 134 134 ASP HB2 H 1 2.973 0 . 2 . . . . . 134 ASP HB2 . 27692 1 986 . 1 1 134 134 ASP HB3 H 1 2.522 0 . 2 . . . . . 134 ASP HB3 . 27692 1 987 . 1 1 134 134 ASP C C 13 177.625 0 . 1 . . . . . 134 ASP C . 27692 1 988 . 1 1 134 134 ASP CA C 13 53.727 0.01 . 1 . . . . . 134 ASP CA . 27692 1 989 . 1 1 134 134 ASP CB C 13 40.202 0.04 . 1 . . . . . 134 ASP CB . 27692 1 990 . 1 1 134 134 ASP N N 15 120.924 0.01 . 1 . . . . . 134 ASP N . 27692 1 991 . 1 1 135 135 GLY H H 1 10.407 0 . 1 . . . . . 135 GLY H . 27692 1 992 . 1 1 135 135 GLY HA2 H 1 4.057 0 . 2 . . . . . 135 GLY HA2 . 27692 1 993 . 1 1 135 135 GLY HA3 H 1 3.441 0 . 2 . . . . . 135 GLY HA3 . 27692 1 994 . 1 1 135 135 GLY C C 13 172.826 0 . 1 . . . . . 135 GLY C . 27692 1 995 . 1 1 135 135 GLY CA C 13 45.723 0.03 . 1 . . . . . 135 GLY CA . 27692 1 996 . 1 1 135 135 GLY N N 15 113.045 0.03 . 1 . . . . . 135 GLY N . 27692 1 997 . 1 1 136 136 GLN H H 1 7.971 0.01 . 1 . . . . . 136 GLN H . 27692 1 998 . 1 1 136 136 GLN HA H 1 4.856 0 . 1 . . . . . 136 GLN HA . 27692 1 999 . 1 1 136 136 GLN HB2 H 1 1.997 0 . 2 . . . . . 136 GLN HB2 . 27692 1 1000 . 1 1 136 136 GLN HB3 H 1 1.729 0 . 2 . . . . . 136 GLN HB3 . 27692 1 1001 . 1 1 136 136 GLN C C 13 174.7 0 . 1 . . . . . 136 GLN C . 27692 1 1002 . 1 1 136 136 GLN CA C 13 53.18 0.04 . 1 . . . . . 136 GLN CA . 27692 1 1003 . 1 1 136 136 GLN CB C 13 32.366 0.03 . 1 . . . . . 136 GLN CB . 27692 1 1004 . 1 1 136 136 GLN N N 15 115.34 0.01 . 1 . . . . . 136 GLN N . 27692 1 1005 . 1 1 137 137 VAL H H 1 9.128 0.01 . 1 . . . . . 137 VAL H . 27692 1 1006 . 1 1 137 137 VAL HA H 1 5.192 0 . 1 . . . . . 137 VAL HA . 27692 1 1007 . 1 1 137 137 VAL HB H 1 2.266 0 . 1 . . . . . 137 VAL HB . 27692 1 1008 . 1 1 137 137 VAL HG11 H 1 0.904 0 . 2 . . . . . 137 VAL HG1 . 27692 1 1009 . 1 1 137 137 VAL HG12 H 1 0.904 0 . 2 . . . . . 137 VAL HG1 . 27692 1 1010 . 1 1 137 137 VAL HG13 H 1 0.904 0 . 2 . . . . . 137 VAL HG1 . 27692 1 1011 . 1 1 137 137 VAL HG21 H 1 1.28 0 . 2 . . . . . 137 VAL HG2 . 27692 1 1012 . 1 1 137 137 VAL HG22 H 1 1.28 0 . 2 . . . . . 137 VAL HG2 . 27692 1 1013 . 1 1 137 137 VAL HG23 H 1 1.28 0 . 2 . . . . . 137 VAL HG2 . 27692 1 1014 . 1 1 137 137 VAL C C 13 175.927 0 . 1 . . . . . 137 VAL C . 27692 1 1015 . 1 1 137 137 VAL CA C 13 61.952 0.09 . 1 . . . . . 137 VAL CA . 27692 1 1016 . 1 1 137 137 VAL CB C 13 33.724 0.09 . 1 . . . . . 137 VAL CB . 27692 1 1017 . 1 1 137 137 VAL CG1 C 13 22.074 0 . 2 . . . . . 137 VAL CG# . 27692 1 1018 . 1 1 137 137 VAL CG2 C 13 22.074 0 . 2 . . . . . 137 VAL CG# . 27692 1 1019 . 1 1 137 137 VAL N N 15 125.588 0.03 . 1 . . . . . 137 VAL N . 27692 1 1020 . 1 1 138 138 ASN H H 1 9.554 0.01 . 1 . . . . . 138 ASN H . 27692 1 1021 . 1 1 138 138 ASN HA H 1 5.261 0 . 1 . . . . . 138 ASN HA . 27692 1 1022 . 1 1 138 138 ASN HB2 H 1 3.272 0 . 2 . . . . . 138 ASN HB2 . 27692 1 1023 . 1 1 138 138 ASN C C 13 174.964 0 . 1 . . . . . 138 ASN C . 27692 1 1024 . 1 1 138 138 ASN CA C 13 51.068 0.05 . 1 . . . . . 138 ASN CA . 27692 1 1025 . 1 1 138 138 ASN CB C 13 38.306 0 . 1 . . . . . 138 ASN CB . 27692 1 1026 . 1 1 138 138 ASN N N 15 129.164 0.03 . 1 . . . . . 138 ASN N . 27692 1 1027 . 1 1 139 139 TYR H H 1 8.509 0 . 1 . . . . . 139 TYR H . 27692 1 1028 . 1 1 139 139 TYR HA H 1 3.467 0 . 1 . . . . . 139 TYR HA . 27692 1 1029 . 1 1 139 139 TYR HB2 H 1 2.416 0 . 2 . . . . . 139 TYR HB2 . 27692 1 1030 . 1 1 139 139 TYR HB3 H 1 2.09 0 . 2 . . . . . 139 TYR HB3 . 27692 1 1031 . 1 1 139 139 TYR C C 13 176.104 0 . 1 . . . . . 139 TYR C . 27692 1 1032 . 1 1 139 139 TYR CA C 13 62.911 0.02 . 1 . . . . . 139 TYR CA . 27692 1 1033 . 1 1 139 139 TYR CB C 13 37.779 0.17 . 1 . . . . . 139 TYR CB . 27692 1 1034 . 1 1 139 139 TYR N N 15 118.516 0.02 . 1 . . . . . 139 TYR N . 27692 1 1035 . 1 1 140 140 GLU H H 1 8.121 0 . 1 . . . . . 140 GLU H . 27692 1 1036 . 1 1 140 140 GLU C C 13 180.57 0 . 1 . . . . . 140 GLU C . 27692 1 1037 . 1 1 140 140 GLU CA C 13 60.44 0.05 . 1 . . . . . 140 GLU CA . 27692 1 1038 . 1 1 140 140 GLU CB C 13 28.907 0.03 . 1 . . . . . 140 GLU CB . 27692 1 1039 . 1 1 140 140 GLU N N 15 118.552 0.01 . 1 . . . . . 140 GLU N . 27692 1 1040 . 1 1 141 141 GLU H H 1 8.788 0.01 . 1 . . . . . 141 GLU H . 27692 1 1041 . 1 1 141 141 GLU HA H 1 4.025 0 . 1 . . . . . 141 GLU HA . 27692 1 1042 . 1 1 141 141 GLU C C 13 179.467 0 . 1 . . . . . 141 GLU C . 27692 1 1043 . 1 1 141 141 GLU CA C 13 58.623 0.06 . 1 . . . . . 141 GLU CA . 27692 1 1044 . 1 1 141 141 GLU CB C 13 29.72 0.07 . 1 . . . . . 141 GLU CB . 27692 1 1045 . 1 1 141 141 GLU N N 15 119.891 0.02 . 1 . . . . . 141 GLU N . 27692 1 1046 . 1 1 142 142 PHE H H 1 8.916 0 . 1 . . . . . 142 PHE H . 27692 1 1047 . 1 1 142 142 PHE HA H 1 4.04 0 . 1 . . . . . 142 PHE HA . 27692 1 1048 . 1 1 142 142 PHE C C 13 176.806 0 . 1 . . . . . 142 PHE C . 27692 1 1049 . 1 1 142 142 PHE CA C 13 61.552 0.06 . 1 . . . . . 142 PHE CA . 27692 1 1050 . 1 1 142 142 PHE CB C 13 39.9 0.01 . 1 . . . . . 142 PHE CB . 27692 1 1051 . 1 1 142 142 PHE N N 15 124.753 0.03 . 1 . . . . . 142 PHE N . 27692 1 1052 . 1 1 143 143 VAL H H 1 8.608 0.01 . 1 . . . . . 143 VAL H . 27692 1 1053 . 1 1 143 143 VAL HA H 1 3.115 0.01 . 1 . . . . . 143 VAL HA . 27692 1 1054 . 1 1 143 143 VAL HB H 1 1.893 0 . 1 . . . . . 143 VAL HB . 27692 1 1055 . 1 1 143 143 VAL HG11 H 1 0.526 0 . 2 . . . . . 143 VAL HG1 . 27692 1 1056 . 1 1 143 143 VAL HG12 H 1 0.526 0 . 2 . . . . . 143 VAL HG1 . 27692 1 1057 . 1 1 143 143 VAL HG13 H 1 0.526 0 . 2 . . . . . 143 VAL HG1 . 27692 1 1058 . 1 1 143 143 VAL HG21 H 1 0.756 0 . 2 . . . . . 143 VAL HG2 . 27692 1 1059 . 1 1 143 143 VAL HG22 H 1 0.756 0 . 2 . . . . . 143 VAL HG2 . 27692 1 1060 . 1 1 143 143 VAL HG23 H 1 0.756 0 . 2 . . . . . 143 VAL HG2 . 27692 1 1061 . 1 1 143 143 VAL C C 13 179.704 0 . 1 . . . . . 143 VAL C . 27692 1 1062 . 1 1 143 143 VAL CA C 13 67.356 0.09 . 1 . . . . . 143 VAL CA . 27692 1 1063 . 1 1 143 143 VAL CB C 13 31.494 0.08 . 1 . . . . . 143 VAL CB . 27692 1 1064 . 1 1 143 143 VAL CG1 C 13 23.024 0.02 . 1 . . . . . 143 VAL CG1 . 27692 1 1065 . 1 1 143 143 VAL CG2 C 13 21.357 0 . 1 . . . . . 143 VAL CG2 . 27692 1 1066 . 1 1 143 143 VAL N N 15 119.834 0.03 . 1 . . . . . 143 VAL N . 27692 1 1067 . 1 1 144 144 GLN H H 1 7.385 0.01 . 1 . . . . . 144 GLN H . 27692 1 1068 . 1 1 144 144 GLN CA C 13 58.872 0 . 1 . . . . . 144 GLN CA . 27692 1 1069 . 1 1 144 144 GLN CB C 13 28.073 0 . 1 . . . . . 144 GLN CB . 27692 1 1070 . 1 1 144 144 GLN N N 15 118.463 0.02 . 1 . . . . . 144 GLN N . 27692 1 1071 . 1 1 145 145 MET HA H 1 4.146 0 . 1 . . . . . 145 MET HA . 27692 1 1072 . 1 1 145 145 MET HB2 H 1 2.103 0 . 2 . . . . . 145 MET HB2 . 27692 1 1073 . 1 1 145 145 MET C C 13 177.852 0 . 1 . . . . . 145 MET C . 27692 1 1074 . 1 1 145 145 MET CA C 13 58.423 0 . 1 . . . . . 145 MET CA . 27692 1 1075 . 1 1 145 145 MET CB C 13 33.061 0 . 1 . . . . . 145 MET CB . 27692 1 1076 . 1 1 146 146 MET H H 1 7.809 0.01 . 1 . . . . . 146 MET H . 27692 1 1077 . 1 1 146 146 MET HA H 1 4.305 0 . 1 . . . . . 146 MET HA . 27692 1 1078 . 1 1 146 146 MET C C 13 177.637 0 . 1 . . . . . 146 MET C . 27692 1 1079 . 1 1 146 146 MET CA C 13 55.501 0.05 . 1 . . . . . 146 MET CA . 27692 1 1080 . 1 1 146 146 MET CB C 13 33.146 0 . 1 . . . . . 146 MET CB . 27692 1 1081 . 1 1 146 146 MET N N 15 113.951 0.03 . 1 . . . . . 146 MET N . 27692 1 1082 . 1 1 147 147 THR H H 1 7.573 0.01 . 1 . . . . . 147 THR H . 27692 1 1083 . 1 1 147 147 THR HA H 1 4.431 0.02 . 1 . . . . . 147 THR HA . 27692 1 1084 . 1 1 147 147 THR HB H 1 4.297 0 . 1 . . . . . 147 THR HB . 27692 1 1085 . 1 1 147 147 THR HG21 H 1 1.168 0 . 1 . . . . . 147 THR HG2 . 27692 1 1086 . 1 1 147 147 THR HG22 H 1 1.168 0 . 1 . . . . . 147 THR HG2 . 27692 1 1087 . 1 1 147 147 THR HG23 H 1 1.168 0 . 1 . . . . . 147 THR HG2 . 27692 1 1088 . 1 1 147 147 THR C C 13 174.37 0 . 1 . . . . . 147 THR C . 27692 1 1089 . 1 1 147 147 THR CA C 13 62.143 0.12 . 1 . . . . . 147 THR CA . 27692 1 1090 . 1 1 147 147 THR CB C 13 70.564 0.1 . 1 . . . . . 147 THR CB . 27692 1 1091 . 1 1 147 147 THR CG2 C 13 21.306 0.01 . 1 . . . . . 147 THR CG2 . 27692 1 1092 . 1 1 147 147 THR N N 15 108.813 0.02 . 1 . . . . . 147 THR N . 27692 1 1093 . 1 1 148 148 ALA H H 1 7.567 0 . 1 . . . . . 148 ALA H . 27692 1 1094 . 1 1 148 148 ALA HA H 1 4.311 0 . 1 . . . . . 148 ALA HA . 27692 1 1095 . 1 1 148 148 ALA HB1 H 1 1.444 0.02 . 1 . . . . . 148 ALA HB . 27692 1 1096 . 1 1 148 148 ALA HB2 H 1 1.444 0.02 . 1 . . . . . 148 ALA HB . 27692 1 1097 . 1 1 148 148 ALA HB3 H 1 1.444 0.02 . 1 . . . . . 148 ALA HB . 27692 1 1098 . 1 1 148 148 ALA C C 13 176.97 0 . 1 . . . . . 148 ALA C . 27692 1 1099 . 1 1 148 148 ALA CA C 13 53.087 0.02 . 1 . . . . . 148 ALA CA . 27692 1 1100 . 1 1 148 148 ALA CB C 13 19.068 0.03 . 1 . . . . . 148 ALA CB . 27692 1 1101 . 1 1 148 148 ALA N N 15 126.61 0.02 . 1 . . . . . 148 ALA N . 27692 1 1102 . 1 1 149 149 LYS H H 1 8.014 0 . 1 . . . . . 149 LYS H . 27692 1 1103 . 1 1 149 149 LYS CA C 13 57.79 0 . 1 . . . . . 149 LYS CA . 27692 1 1104 . 1 1 149 149 LYS N N 15 126.474 0.01 . 1 . . . . . 149 LYS N . 27692 1 stop_ save_