data_15779 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15779 _Entry.Title ; Backbone 1H, 13C and 15N assignments for ginkbilobin-2 with C-terminal His6-tag ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-20 _Entry.Accession_date 2008-05-20 _Entry.Last_release_date 2009-10-14 _Entry.Original_release_date 2009-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Takuya Miyakawa . . . 15779 2 Yoriko Sawano . . . 15779 3 Ken-ichi Hatano . . . 15779 4 Masaru Tanokura . . . 15779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 15779 '15N chemical shifts' 120 15779 '1H chemical shifts' 135 15779 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-14 2008-05-20 original author . 15779 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E79 . 15779 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15779 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19603485 _Citation.Full_citation . _Citation.Title 'Crystal structure of ginkbilobin-2 with homology to the extracellular domain of plant cysteine-rich receptor-like kinases' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 77 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 247 _Citation.Page_last 251 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takuya Miyakawa . . . 15779 1 2 Ken-ichi Miyazono . . . 15779 1 3 Yoriko Sawano . . . 15779 1 4 Ken-ichi Hatano . . . 15779 1 5 Masaru Tanokura . . . 15779 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'antifungal protein' 15779 1 'cysteine-rich receptor-like kinase' 15779 1 DUF26 15779 1 'Ginkgo biloba' 15779 1 lectin 15779 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15779 _Assembly.ID 1 _Assembly.Name 'ginkbilobin2 monomer' _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 ginkbilobin-2 1 $ginkbilobin-2 A . yes native no no . . . 15779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ginkbilobin-2 _Entity.Sf_category entity _Entity.Sf_framecode ginkbilobin-2 _Entity.Entry_ID 15779 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ginkbilobin-2 _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 ; MANTAFVSSACNTQKIPSGS PFNRNLRAMLADLRQNTAFS GYDYKTSRAGSGGAPTAYGR ATCKQSISQSDCTACLSNLV NRIFSICNNAIGARVQLVDC FIQYEQRSFLEHHHHHH ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3A2E . "Crystal Structure Of Ginkbilobin-2, The Novel Antifungal Protein From Ginkgo Biloba Seeds" . . . . . 92.31 108 100.00 100.00 7.48e-72 . . . . 15779 1 2 no PDB 4XRE . "Crystal Structure Of Gnk2 Complexed With Mannose" . . . . . 93.16 109 100.00 100.00 5.88e-73 . . . . 15779 1 3 no GB ABF55255 . "ginkbilobin-2 precursor [Ginkgo biloba]" . . . . . 92.31 134 100.00 100.00 1.12e-72 . . . . 15779 1 4 no GB ACP27608 . "antimicrobial protein Gnk2-1 [Ginkgo biloba]" . . . . . 92.31 134 98.15 99.07 3.24e-71 . . . . 15779 1 5 no GB ACZ57929 . "antimicrobial protein precursor [Ginkgo biloba]" . . . . . 92.31 134 100.00 100.00 1.12e-72 . . . . 15779 1 6 no SP A4ZDL6 . "RecName: Full=Antifungal protein ginkbilobin-2; Flags: Precursor" . . . . . 92.31 134 100.00 100.00 1.12e-72 . . . . 15779 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15779 1 2 . ALA . 15779 1 3 . ASN . 15779 1 4 . THR . 15779 1 5 . ALA . 15779 1 6 . PHE . 15779 1 7 . VAL . 15779 1 8 . SER . 15779 1 9 . SER . 15779 1 10 . ALA . 15779 1 11 . CYS . 15779 1 12 . ASN . 15779 1 13 . THR . 15779 1 14 . GLN . 15779 1 15 . LYS . 15779 1 16 . ILE . 15779 1 17 . PRO . 15779 1 18 . SER . 15779 1 19 . GLY . 15779 1 20 . SER . 15779 1 21 . PRO . 15779 1 22 . PHE . 15779 1 23 . ASN . 15779 1 24 . ARG . 15779 1 25 . ASN . 15779 1 26 . LEU . 15779 1 27 . ARG . 15779 1 28 . ALA . 15779 1 29 . MET . 15779 1 30 . LEU . 15779 1 31 . ALA . 15779 1 32 . ASP . 15779 1 33 . LEU . 15779 1 34 . ARG . 15779 1 35 . GLN . 15779 1 36 . ASN . 15779 1 37 . THR . 15779 1 38 . ALA . 15779 1 39 . PHE . 15779 1 40 . SER . 15779 1 41 . GLY . 15779 1 42 . TYR . 15779 1 43 . ASP . 15779 1 44 . TYR . 15779 1 45 . LYS . 15779 1 46 . THR . 15779 1 47 . SER . 15779 1 48 . ARG . 15779 1 49 . ALA . 15779 1 50 . GLY . 15779 1 51 . SER . 15779 1 52 . GLY . 15779 1 53 . GLY . 15779 1 54 . ALA . 15779 1 55 . PRO . 15779 1 56 . THR . 15779 1 57 . ALA . 15779 1 58 . TYR . 15779 1 59 . GLY . 15779 1 60 . ARG . 15779 1 61 . ALA . 15779 1 62 . THR . 15779 1 63 . CYS . 15779 1 64 . LYS . 15779 1 65 . GLN . 15779 1 66 . SER . 15779 1 67 . ILE . 15779 1 68 . SER . 15779 1 69 . GLN . 15779 1 70 . SER . 15779 1 71 . ASP . 15779 1 72 . CYS . 15779 1 73 . THR . 15779 1 74 . ALA . 15779 1 75 . CYS . 15779 1 76 . LEU . 15779 1 77 . SER . 15779 1 78 . ASN . 15779 1 79 . LEU . 15779 1 80 . VAL . 15779 1 81 . ASN . 15779 1 82 . ARG . 15779 1 83 . ILE . 15779 1 84 . PHE . 15779 1 85 . SER . 15779 1 86 . ILE . 15779 1 87 . CYS . 15779 1 88 . ASN . 15779 1 89 . ASN . 15779 1 90 . ALA . 15779 1 91 . ILE . 15779 1 92 . GLY . 15779 1 93 . ALA . 15779 1 94 . ARG . 15779 1 95 . VAL . 15779 1 96 . GLN . 15779 1 97 . LEU . 15779 1 98 . VAL . 15779 1 99 . ASP . 15779 1 100 . CYS . 15779 1 101 . PHE . 15779 1 102 . ILE . 15779 1 103 . GLN . 15779 1 104 . TYR . 15779 1 105 . GLU . 15779 1 106 . GLN . 15779 1 107 . ARG . 15779 1 108 . SER . 15779 1 109 . PHE . 15779 1 110 . LEU . 15779 1 111 . GLU . 15779 1 112 . HIS . 15779 1 113 . HIS . 15779 1 114 . HIS . 15779 1 115 . HIS . 15779 1 116 . HIS . 15779 1 117 . HIS . 15779 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 15779 1 . ALA 2 2 15779 1 . ASN 3 3 15779 1 . THR 4 4 15779 1 . ALA 5 5 15779 1 . PHE 6 6 15779 1 . VAL 7 7 15779 1 . SER 8 8 15779 1 . SER 9 9 15779 1 . ALA 10 10 15779 1 . CYS 11 11 15779 1 . ASN 12 12 15779 1 . THR 13 13 15779 1 . GLN 14 14 15779 1 . LYS 15 15 15779 1 . ILE 16 16 15779 1 . PRO 17 17 15779 1 . SER 18 18 15779 1 . GLY 19 19 15779 1 . SER 20 20 15779 1 . PRO 21 21 15779 1 . PHE 22 22 15779 1 . ASN 23 23 15779 1 . ARG 24 24 15779 1 . ASN 25 25 15779 1 . LEU 26 26 15779 1 . ARG 27 27 15779 1 . ALA 28 28 15779 1 . MET 29 29 15779 1 . LEU 30 30 15779 1 . ALA 31 31 15779 1 . ASP 32 32 15779 1 . LEU 33 33 15779 1 . ARG 34 34 15779 1 . GLN 35 35 15779 1 . ASN 36 36 15779 1 . THR 37 37 15779 1 . ALA 38 38 15779 1 . PHE 39 39 15779 1 . SER 40 40 15779 1 . GLY 41 41 15779 1 . TYR 42 42 15779 1 . ASP 43 43 15779 1 . TYR 44 44 15779 1 . LYS 45 45 15779 1 . THR 46 46 15779 1 . SER 47 47 15779 1 . ARG 48 48 15779 1 . ALA 49 49 15779 1 . GLY 50 50 15779 1 . SER 51 51 15779 1 . GLY 52 52 15779 1 . GLY 53 53 15779 1 . ALA 54 54 15779 1 . PRO 55 55 15779 1 . THR 56 56 15779 1 . ALA 57 57 15779 1 . TYR 58 58 15779 1 . GLY 59 59 15779 1 . ARG 60 60 15779 1 . ALA 61 61 15779 1 . THR 62 62 15779 1 . CYS 63 63 15779 1 . LYS 64 64 15779 1 . GLN 65 65 15779 1 . SER 66 66 15779 1 . ILE 67 67 15779 1 . SER 68 68 15779 1 . GLN 69 69 15779 1 . SER 70 70 15779 1 . ASP 71 71 15779 1 . CYS 72 72 15779 1 . THR 73 73 15779 1 . ALA 74 74 15779 1 . CYS 75 75 15779 1 . LEU 76 76 15779 1 . SER 77 77 15779 1 . ASN 78 78 15779 1 . LEU 79 79 15779 1 . VAL 80 80 15779 1 . ASN 81 81 15779 1 . ARG 82 82 15779 1 . ILE 83 83 15779 1 . PHE 84 84 15779 1 . SER 85 85 15779 1 . ILE 86 86 15779 1 . CYS 87 87 15779 1 . ASN 88 88 15779 1 . ASN 89 89 15779 1 . ALA 90 90 15779 1 . ILE 91 91 15779 1 . GLY 92 92 15779 1 . ALA 93 93 15779 1 . ARG 94 94 15779 1 . VAL 95 95 15779 1 . GLN 96 96 15779 1 . LEU 97 97 15779 1 . VAL 98 98 15779 1 . ASP 99 99 15779 1 . CYS 100 100 15779 1 . PHE 101 101 15779 1 . ILE 102 102 15779 1 . GLN 103 103 15779 1 . TYR 104 104 15779 1 . GLU 105 105 15779 1 . GLN 106 106 15779 1 . ARG 107 107 15779 1 . SER 108 108 15779 1 . PHE 109 109 15779 1 . LEU 110 110 15779 1 . GLU 111 111 15779 1 . HIS 112 112 15779 1 . HIS 113 113 15779 1 . HIS 114 114 15779 1 . HIS 115 115 15779 1 . HIS 116 116 15779 1 . HIS 117 117 15779 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 15779 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ginkbilobin-2 . 3311 organism . 'Ginkgo biloba' ginkgo . . Eukaryota Viridiplantae Ginkgo biloba . . . . . . . . . . . . . . . . . . . . . 15779 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 15779 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ginkbilobin-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET26b . . . . . . 15779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15779 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 ginkbilobin-2 '[U-99% 13C; U-99% 15N]' . . 1 $ginkbilobin-2 . . 0.95 . . mM . . . . 15779 1 2 H2O 'natural abundance' . . . . . . 92 . . % . . . . 15779 1 3 D2O 'natural abundance' . . . . . . 8 . . % . . . . 15779 1 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 15779 _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 . M 15779 1 pH 6.0 . pH 15779 1 pressure 1 . atm 15779 1 temperature 298 . K 15779 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15779 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15779 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15779 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 15779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15779 _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 Varian INOVA . 600 . . . 15779 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 15779 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15779 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15779 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15779 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15779 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15779 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 15779 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7730 internal indirect 0.251449530 . . . . . . . . . 15779 1 H 1 water protons . . . . ppm 4.7730 internal direct 1.000000000 . . . . . . . . . 15779 1 N 15 water protons . . . . ppm 4.7730 internal indirect 0.101329118 . . . . . . . . . 15779 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 15779 _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' . . . 15779 1 2 '3D CBCA(CO)NH' . . . 15779 1 3 '3D C(CO)NH' . . . 15779 1 4 '3D HNCO' . . . 15779 1 5 '3D HNCACB' . . . 15779 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.937 0.001 . 1 . . . . 1 ALA H . 15779 1 2 . 1 1 2 2 ALA C C 13 175.748 0.000 . 1 . . . . 1 ALA C . 15779 1 3 . 1 1 2 2 ALA CA C 13 51.413 0.000 . 1 . . . . 1 ALA CA . 15779 1 4 . 1 1 2 2 ALA CB C 13 20.248 0.000 . 1 . . . . 1 ALA CB . 15779 1 5 . 1 1 2 2 ALA N N 15 128.097 0.009 . 1 . . . . 1 ALA N . 15779 1 6 . 1 1 3 3 ASN H H 1 10.406 0.002 . 1 . . . . 2 ASN H . 15779 1 7 . 1 1 3 3 ASN HD21 H 1 7.812 0.000 . 2 . . . . 2 ASN HD21 . 15779 1 8 . 1 1 3 3 ASN HD22 H 1 7.046 0.000 . 2 . . . . 2 ASN HD22 . 15779 1 9 . 1 1 3 3 ASN C C 13 175.014 0.000 . 1 . . . . 2 ASN C . 15779 1 10 . 1 1 3 3 ASN CA C 13 52.396 0.096 . 1 . . . . 2 ASN CA . 15779 1 11 . 1 1 3 3 ASN CB C 13 37.236 0.034 . 1 . . . . 2 ASN CB . 15779 1 12 . 1 1 3 3 ASN N N 15 124.945 0.005 . 1 . . . . 2 ASN N . 15779 1 13 . 1 1 3 3 ASN ND2 N 15 111.282 0.010 . 1 . . . . 2 ASN ND2 . 15779 1 14 . 1 1 4 4 THR H H 1 7.928 0.001 . 1 . . . . 3 THR H . 15779 1 15 . 1 1 4 4 THR C C 13 173.921 0.000 . 1 . . . . 3 THR C . 15779 1 16 . 1 1 4 4 THR CA C 13 59.817 0.041 . 1 . . . . 3 THR CA . 15779 1 17 . 1 1 4 4 THR CB C 13 67.235 0.048 . 1 . . . . 3 THR CB . 15779 1 18 . 1 1 4 4 THR CG2 C 13 22.001 0.000 . 1 . . . . 3 THR CG2 . 15779 1 19 . 1 1 4 4 THR N N 15 112.254 0.009 . 1 . . . . 3 THR N . 15779 1 20 . 1 1 5 5 ALA H H 1 8.094 0.001 . 1 . . . . 4 ALA H . 15779 1 21 . 1 1 5 5 ALA C C 13 177.173 0.000 . 1 . . . . 4 ALA C . 15779 1 22 . 1 1 5 5 ALA CA C 13 53.032 0.023 . 1 . . . . 4 ALA CA . 15779 1 23 . 1 1 5 5 ALA CB C 13 18.357 0.047 . 1 . . . . 4 ALA CB . 15779 1 24 . 1 1 5 5 ALA N N 15 124.573 0.014 . 1 . . . . 4 ALA N . 15779 1 25 . 1 1 6 6 PHE H H 1 8.604 0.004 . 1 . . . . 5 PHE H . 15779 1 26 . 1 1 6 6 PHE C C 13 175.196 0.000 . 1 . . . . 5 PHE C . 15779 1 27 . 1 1 6 6 PHE CA C 13 60.093 0.008 . 1 . . . . 5 PHE CA . 15779 1 28 . 1 1 6 6 PHE CB C 13 40.514 0.033 . 1 . . . . 5 PHE CB . 15779 1 29 . 1 1 6 6 PHE N N 15 120.902 0.017 . 1 . . . . 5 PHE N . 15779 1 30 . 1 1 7 7 VAL H H 1 7.953 0.002 . 1 . . . . 6 VAL H . 15779 1 31 . 1 1 7 7 VAL C C 13 174.878 0.000 . 1 . . . . 6 VAL C . 15779 1 32 . 1 1 7 7 VAL CA C 13 64.216 0.057 . 1 . . . . 6 VAL CA . 15779 1 33 . 1 1 7 7 VAL CB C 13 33.224 0.058 . 1 . . . . 6 VAL CB . 15779 1 34 . 1 1 7 7 VAL CG1 C 13 20.433 0.000 . 2 . . . . 6 VAL CG1 . 15779 1 35 . 1 1 7 7 VAL N N 15 127.025 0.007 . 1 . . . . 6 VAL N . 15779 1 36 . 1 1 8 8 SER H H 1 7.593 0.001 . 1 . . . . 7 SER H . 15779 1 37 . 1 1 8 8 SER C C 13 171.722 0.000 . 1 . . . . 7 SER C . 15779 1 38 . 1 1 8 8 SER CA C 13 58.315 0.012 . 1 . . . . 7 SER CA . 15779 1 39 . 1 1 8 8 SER CB C 13 64.990 0.071 . 1 . . . . 7 SER CB . 15779 1 40 . 1 1 8 8 SER N N 15 110.513 0.019 . 1 . . . . 7 SER N . 15779 1 41 . 1 1 9 9 SER H H 1 8.752 0.001 . 1 . . . . 8 SER H . 15779 1 42 . 1 1 9 9 SER C C 13 172.997 0.000 . 1 . . . . 8 SER C . 15779 1 43 . 1 1 9 9 SER CA C 13 56.926 0.009 . 1 . . . . 8 SER CA . 15779 1 44 . 1 1 9 9 SER CB C 13 68.006 0.059 . 1 . . . . 8 SER CB . 15779 1 45 . 1 1 9 9 SER N N 15 112.150 0.009 . 1 . . . . 8 SER N . 15779 1 46 . 1 1 10 10 ALA H H 1 8.739 0.001 . 1 . . . . 9 ALA H . 15779 1 47 . 1 1 10 10 ALA C C 13 176.469 0.000 . 1 . . . . 9 ALA C . 15779 1 48 . 1 1 10 10 ALA CA C 13 52.189 0.000 . 1 . . . . 9 ALA CA . 15779 1 49 . 1 1 10 10 ALA CB C 13 21.045 0.075 . 1 . . . . 9 ALA CB . 15779 1 50 . 1 1 10 10 ALA N N 15 122.882 0.002 . 1 . . . . 9 ALA N . 15779 1 51 . 1 1 11 11 CYS H H 1 9.055 0.003 . 1 . . . . 10 CYS H . 15779 1 52 . 1 1 11 11 CYS C C 13 174.089 0.000 . 1 . . . . 10 CYS C . 15779 1 53 . 1 1 11 11 CYS CA C 13 51.270 0.008 . 1 . . . . 10 CYS CA . 15779 1 54 . 1 1 11 11 CYS CB C 13 38.508 0.020 . 1 . . . . 10 CYS CB . 15779 1 55 . 1 1 11 11 CYS N N 15 122.449 0.015 . 1 . . . . 10 CYS N . 15779 1 56 . 1 1 12 12 ASN H H 1 8.357 0.003 . 1 . . . . 11 ASN H . 15779 1 57 . 1 1 12 12 ASN HD21 H 1 8.339 0.005 . 2 . . . . 11 ASN HD21 . 15779 1 58 . 1 1 12 12 ASN HD22 H 1 7.043 0.000 . 2 . . . . 11 ASN HD22 . 15779 1 59 . 1 1 12 12 ASN C C 13 175.142 0.000 . 1 . . . . 11 ASN C . 15779 1 60 . 1 1 12 12 ASN CA C 13 54.898 0.001 . 1 . . . . 11 ASN CA . 15779 1 61 . 1 1 12 12 ASN CB C 13 39.415 0.005 . 1 . . . . 11 ASN CB . 15779 1 62 . 1 1 12 12 ASN N N 15 125.730 0.004 . 1 . . . . 11 ASN N . 15779 1 63 . 1 1 12 12 ASN ND2 N 15 114.893 0.007 . 1 . . . . 11 ASN ND2 . 15779 1 64 . 1 1 13 13 THR H H 1 8.511 0.001 . 1 . . . . 12 THR H . 15779 1 65 . 1 1 13 13 THR C C 13 175.527 0.000 . 1 . . . . 12 THR C . 15779 1 66 . 1 1 13 13 THR CA C 13 63.954 0.073 . 1 . . . . 12 THR CA . 15779 1 67 . 1 1 13 13 THR CB C 13 69.541 0.047 . 1 . . . . 12 THR CB . 15779 1 68 . 1 1 13 13 THR CG2 C 13 22.623 0.000 . 1 . . . . 12 THR CG2 . 15779 1 69 . 1 1 13 13 THR N N 15 118.200 0.020 . 1 . . . . 12 THR N . 15779 1 70 . 1 1 14 14 GLN H H 1 9.279 0.001 . 1 . . . . 13 GLN H . 15779 1 71 . 1 1 14 14 GLN HE21 H 1 7.665 0.006 . 2 . . . . 13 GLN HE21 . 15779 1 72 . 1 1 14 14 GLN HE22 H 1 6.923 0.001 . 2 . . . . 13 GLN HE22 . 15779 1 73 . 1 1 14 14 GLN C C 13 175.352 0.000 . 1 . . . . 13 GLN C . 15779 1 74 . 1 1 14 14 GLN CA C 13 56.119 0.034 . 1 . . . . 13 GLN CA . 15779 1 75 . 1 1 14 14 GLN CB C 13 28.971 0.041 . 1 . . . . 13 GLN CB . 15779 1 76 . 1 1 14 14 GLN CG C 13 34.224 0.000 . 1 . . . . 13 GLN CG . 15779 1 77 . 1 1 14 14 GLN N N 15 122.935 0.000 . 1 . . . . 13 GLN N . 15779 1 78 . 1 1 14 14 GLN NE2 N 15 112.677 0.005 . 1 . . . . 13 GLN NE2 . 15779 1 79 . 1 1 15 15 LYS H H 1 8.736 0.001 . 1 . . . . 14 LYS H . 15779 1 80 . 1 1 15 15 LYS C C 13 177.168 0.000 . 1 . . . . 14 LYS C . 15779 1 81 . 1 1 15 15 LYS CA C 13 54.288 0.000 . 1 . . . . 14 LYS CA . 15779 1 82 . 1 1 15 15 LYS CB C 13 33.755 0.168 . 1 . . . . 14 LYS CB . 15779 1 83 . 1 1 15 15 LYS CE C 13 43.249 0.000 . 1 . . . . 14 LYS CE . 15779 1 84 . 1 1 15 15 LYS CG C 13 25.113 0.000 . 1 . . . . 14 LYS CG . 15779 1 85 . 1 1 15 15 LYS N N 15 122.886 0.018 . 1 . . . . 14 LYS N . 15779 1 86 . 1 1 16 16 ILE H H 1 9.186 0.003 . 1 . . . . 15 ILE H . 15779 1 87 . 1 1 16 16 ILE CA C 13 60.156 0.000 . 1 . . . . 15 ILE CA . 15779 1 88 . 1 1 16 16 ILE CB C 13 40.203 0.018 . 1 . . . . 15 ILE CB . 15779 1 89 . 1 1 16 16 ILE N N 15 124.776 0.012 . 1 . . . . 15 ILE N . 15779 1 90 . 1 1 17 17 PRO C C 13 178.006 0.000 . 1 . . . . 16 PRO C . 15779 1 91 . 1 1 17 17 PRO CA C 13 62.964 0.000 . 1 . . . . 16 PRO CA . 15779 1 92 . 1 1 17 17 PRO CB C 13 32.368 0.091 . 1 . . . . 16 PRO CB . 15779 1 93 . 1 1 17 17 PRO CD C 13 51.287 0.000 . 1 . . . . 16 PRO CD . 15779 1 94 . 1 1 17 17 PRO CG C 13 27.971 0.000 . 1 . . . . 16 PRO CG . 15779 1 95 . 1 1 18 18 SER H H 1 8.924 0.003 . 1 . . . . 17 SER H . 15779 1 96 . 1 1 18 18 SER C C 13 176.316 0.000 . 1 . . . . 17 SER C . 15779 1 97 . 1 1 18 18 SER CA C 13 60.664 0.014 . 1 . . . . 17 SER CA . 15779 1 98 . 1 1 18 18 SER CB C 13 62.260 0.000 . 1 . . . . 17 SER CB . 15779 1 99 . 1 1 18 18 SER N N 15 120.003 0.034 . 1 . . . . 17 SER N . 15779 1 100 . 1 1 19 19 GLY H H 1 8.861 0.002 . 1 . . . . 18 GLY H . 15779 1 101 . 1 1 19 19 GLY C C 13 174.757 0.000 . 1 . . . . 18 GLY C . 15779 1 102 . 1 1 19 19 GLY CA C 13 44.948 0.000 . 1 . . . . 18 GLY CA . 15779 1 103 . 1 1 19 19 GLY N N 15 111.468 0.041 . 1 . . . . 18 GLY N . 15779 1 104 . 1 1 20 20 SER H H 1 7.534 0.002 . 1 . . . . 19 SER H . 15779 1 105 . 1 1 20 20 SER CA C 13 56.313 0.000 . 1 . . . . 19 SER CA . 15779 1 106 . 1 1 20 20 SER CB C 13 64.667 0.000 . 1 . . . . 19 SER CB . 15779 1 107 . 1 1 20 20 SER N N 15 113.917 0.005 . 1 . . . . 19 SER N . 15779 1 108 . 1 1 21 21 PRO C C 13 177.921 0.000 . 1 . . . . 20 PRO C . 15779 1 109 . 1 1 21 21 PRO CA C 13 64.506 0.026 . 1 . . . . 20 PRO CA . 15779 1 110 . 1 1 21 21 PRO CB C 13 32.069 0.000 . 1 . . . . 20 PRO CB . 15779 1 111 . 1 1 21 21 PRO CD C 13 52.125 0.000 . 1 . . . . 20 PRO CD . 15779 1 112 . 1 1 21 21 PRO CG C 13 27.512 0.000 . 1 . . . . 20 PRO CG . 15779 1 113 . 1 1 22 22 PHE H H 1 8.607 0.002 . 1 . . . . 21 PHE H . 15779 1 114 . 1 1 22 22 PHE C C 13 175.354 0.000 . 1 . . . . 21 PHE C . 15779 1 115 . 1 1 22 22 PHE CA C 13 58.591 0.040 . 1 . . . . 21 PHE CA . 15779 1 116 . 1 1 22 22 PHE CB C 13 39.963 0.037 . 1 . . . . 21 PHE CB . 15779 1 117 . 1 1 22 22 PHE N N 15 119.514 0.014 . 1 . . . . 21 PHE N . 15779 1 118 . 1 1 23 23 ASN H H 1 7.432 0.005 . 1 . . . . 22 ASN H . 15779 1 119 . 1 1 23 23 ASN HD21 H 1 7.697 0.001 . 2 . . . . 22 ASN HD21 . 15779 1 120 . 1 1 23 23 ASN HD22 H 1 6.981 0.001 . 2 . . . . 22 ASN HD22 . 15779 1 121 . 1 1 23 23 ASN C C 13 177.185 0.000 . 1 . . . . 22 ASN C . 15779 1 122 . 1 1 23 23 ASN CA C 13 57.828 0.050 . 1 . . . . 22 ASN CA . 15779 1 123 . 1 1 23 23 ASN CB C 13 39.590 0.101 . 1 . . . . 22 ASN CB . 15779 1 124 . 1 1 23 23 ASN N N 15 111.303 0.018 . 1 . . . . 22 ASN N . 15779 1 125 . 1 1 23 23 ASN ND2 N 15 115.494 0.019 . 1 . . . . 22 ASN ND2 . 15779 1 126 . 1 1 24 24 ARG H H 1 7.554 0.003 . 1 . . . . 23 ARG H . 15779 1 127 . 1 1 24 24 ARG C C 13 178.817 0.000 . 1 . . . . 23 ARG C . 15779 1 128 . 1 1 24 24 ARG CA C 13 59.594 0.079 . 1 . . . . 23 ARG CA . 15779 1 129 . 1 1 24 24 ARG CB C 13 30.205 0.006 . 1 . . . . 23 ARG CB . 15779 1 130 . 1 1 24 24 ARG CD C 13 43.346 0.000 . 1 . . . . 23 ARG CD . 15779 1 131 . 1 1 24 24 ARG CG C 13 27.430 0.000 . 1 . . . . 23 ARG CG . 15779 1 132 . 1 1 24 24 ARG N N 15 116.452 0.014 . 1 . . . . 23 ARG N . 15779 1 133 . 1 1 25 25 ASN H H 1 8.354 0.002 . 1 . . . . 24 ASN H . 15779 1 134 . 1 1 25 25 ASN HD21 H 1 7.416 0.004 . 2 . . . . 24 ASN HD21 . 15779 1 135 . 1 1 25 25 ASN HD22 H 1 6.850 0.003 . 2 . . . . 24 ASN HD22 . 15779 1 136 . 1 1 25 25 ASN C C 13 177.338 0.000 . 1 . . . . 24 ASN C . 15779 1 137 . 1 1 25 25 ASN CA C 13 56.783 0.066 . 1 . . . . 24 ASN CA . 15779 1 138 . 1 1 25 25 ASN CB C 13 36.329 0.054 . 1 . . . . 24 ASN CB . 15779 1 139 . 1 1 25 25 ASN N N 15 115.842 0.016 . 1 . . . . 24 ASN N . 15779 1 140 . 1 1 25 25 ASN ND2 N 15 113.653 0.028 . 1 . . . . 24 ASN ND2 . 15779 1 141 . 1 1 26 26 LEU H H 1 8.045 0.001 . 1 . . . . 25 LEU H . 15779 1 142 . 1 1 26 26 LEU C C 13 178.089 0.000 . 1 . . . . 25 LEU C . 15779 1 143 . 1 1 26 26 LEU CA C 13 58.662 0.037 . 1 . . . . 25 LEU CA . 15779 1 144 . 1 1 26 26 LEU CB C 13 40.528 0.003 . 1 . . . . 25 LEU CB . 15779 1 145 . 1 1 26 26 LEU CD1 C 13 26.942 0.000 . 2 . . . . 25 LEU CD1 . 15779 1 146 . 1 1 26 26 LEU CD2 C 13 21.994 0.000 . 2 . . . . 25 LEU CD2 . 15779 1 147 . 1 1 26 26 LEU N N 15 121.174 0.008 . 1 . . . . 25 LEU N . 15779 1 148 . 1 1 27 27 ARG H H 1 7.107 0.002 . 1 . . . . 26 ARG H . 15779 1 149 . 1 1 27 27 ARG C C 13 178.861 0.000 . 1 . . . . 26 ARG C . 15779 1 150 . 1 1 27 27 ARG CA C 13 60.840 0.056 . 1 . . . . 26 ARG CA . 15779 1 151 . 1 1 27 27 ARG CB C 13 29.291 0.016 . 1 . . . . 26 ARG CB . 15779 1 152 . 1 1 27 27 ARG CD C 13 42.637 0.000 . 1 . . . . 26 ARG CD . 15779 1 153 . 1 1 27 27 ARG CG C 13 30.038 0.000 . 1 . . . . 26 ARG CG . 15779 1 154 . 1 1 27 27 ARG N N 15 116.256 0.015 . 1 . . . . 26 ARG N . 15779 1 155 . 1 1 28 28 ALA H H 1 7.620 0.002 . 1 . . . . 27 ALA H . 15779 1 156 . 1 1 28 28 ALA C C 13 179.455 0.000 . 1 . . . . 27 ALA C . 15779 1 157 . 1 1 28 28 ALA CA C 13 54.969 0.025 . 1 . . . . 27 ALA CA . 15779 1 158 . 1 1 28 28 ALA CB C 13 18.036 0.059 . 1 . . . . 27 ALA CB . 15779 1 159 . 1 1 28 28 ALA N N 15 122.427 0.014 . 1 . . . . 27 ALA N . 15779 1 160 . 1 1 29 29 MET H H 1 8.006 0.002 . 1 . . . . 28 MET H . 15779 1 161 . 1 1 29 29 MET C C 13 178.297 0.000 . 1 . . . . 28 MET C . 15779 1 162 . 1 1 29 29 MET CA C 13 60.049 0.062 . 1 . . . . 28 MET CA . 15779 1 163 . 1 1 29 29 MET CB C 13 29.879 0.039 . 1 . . . . 28 MET CB . 15779 1 164 . 1 1 29 29 MET CG C 13 32.316 0.000 . 1 . . . . 28 MET CG . 15779 1 165 . 1 1 29 29 MET N N 15 121.115 0.006 . 1 . . . . 28 MET N . 15779 1 166 . 1 1 30 30 LEU H H 1 8.495 0.001 . 1 . . . . 29 LEU H . 15779 1 167 . 1 1 30 30 LEU C C 13 178.460 0.000 . 1 . . . . 29 LEU C . 15779 1 168 . 1 1 30 30 LEU CA C 13 58.532 0.122 . 1 . . . . 29 LEU CA . 15779 1 169 . 1 1 30 30 LEU CB C 13 41.273 0.091 . 1 . . . . 29 LEU CB . 15779 1 170 . 1 1 30 30 LEU CD1 C 13 23.265 0.000 . 2 . . . . 29 LEU CD1 . 15779 1 171 . 1 1 30 30 LEU CD2 C 13 27.363 0.000 . 2 . . . . 29 LEU CD2 . 15779 1 172 . 1 1 30 30 LEU N N 15 119.287 0.025 . 1 . . . . 29 LEU N . 15779 1 173 . 1 1 31 31 ALA H H 1 7.767 0.003 . 1 . . . . 30 ALA H . 15779 1 174 . 1 1 31 31 ALA C C 13 179.448 0.000 . 1 . . . . 30 ALA C . 15779 1 175 . 1 1 31 31 ALA CA C 13 55.265 0.008 . 1 . . . . 30 ALA CA . 15779 1 176 . 1 1 31 31 ALA CB C 13 17.863 0.072 . 1 . . . . 30 ALA CB . 15779 1 177 . 1 1 31 31 ALA N N 15 120.322 0.004 . 1 . . . . 30 ALA N . 15779 1 178 . 1 1 32 32 ASP H H 1 7.392 0.001 . 1 . . . . 31 ASP H . 15779 1 179 . 1 1 32 32 ASP C C 13 178.674 0.000 . 1 . . . . 31 ASP C . 15779 1 180 . 1 1 32 32 ASP CA C 13 57.462 0.017 . 1 . . . . 31 ASP CA . 15779 1 181 . 1 1 32 32 ASP CB C 13 41.031 0.013 . 1 . . . . 31 ASP CB . 15779 1 182 . 1 1 32 32 ASP N N 15 120.344 0.003 . 1 . . . . 31 ASP N . 15779 1 183 . 1 1 33 33 LEU H H 1 8.250 0.003 . 1 . . . . 32 LEU H . 15779 1 184 . 1 1 33 33 LEU C C 13 180.891 0.000 . 1 . . . . 32 LEU C . 15779 1 185 . 1 1 33 33 LEU CA C 13 58.822 0.086 . 1 . . . . 32 LEU CA . 15779 1 186 . 1 1 33 33 LEU CB C 13 41.380 0.032 . 1 . . . . 32 LEU CB . 15779 1 187 . 1 1 33 33 LEU CD1 C 13 27.449 0.000 . 2 . . . . 32 LEU CD1 . 15779 1 188 . 1 1 33 33 LEU CD2 C 13 23.493 0.000 . 2 . . . . 32 LEU CD2 . 15779 1 189 . 1 1 33 33 LEU N N 15 116.775 0.011 . 1 . . . . 32 LEU N . 15779 1 190 . 1 1 34 34 ARG H H 1 8.436 0.002 . 1 . . . . 33 ARG H . 15779 1 191 . 1 1 34 34 ARG C C 13 176.331 0.000 . 1 . . . . 33 ARG C . 15779 1 192 . 1 1 34 34 ARG CA C 13 59.574 0.077 . 1 . . . . 33 ARG CA . 15779 1 193 . 1 1 34 34 ARG CB C 13 29.716 0.033 . 1 . . . . 33 ARG CB . 15779 1 194 . 1 1 34 34 ARG CG C 13 25.928 0.000 . 1 . . . . 33 ARG CG . 15779 1 195 . 1 1 34 34 ARG N N 15 119.010 0.040 . 1 . . . . 33 ARG N . 15779 1 196 . 1 1 35 35 GLN H H 1 7.934 0.001 . 1 . . . . 34 GLN H . 15779 1 197 . 1 1 35 35 GLN HE21 H 1 7.389 0.002 . 2 . . . . 34 GLN HE21 . 15779 1 198 . 1 1 35 35 GLN HE22 H 1 6.835 0.005 . 2 . . . . 34 GLN HE22 . 15779 1 199 . 1 1 35 35 GLN C C 13 178.077 0.000 . 1 . . . . 34 GLN C . 15779 1 200 . 1 1 35 35 GLN CA C 13 58.234 0.035 . 1 . . . . 34 GLN CA . 15779 1 201 . 1 1 35 35 GLN CB C 13 29.971 0.015 . 1 . . . . 34 GLN CB . 15779 1 202 . 1 1 35 35 GLN CG C 13 33.866 0.000 . 1 . . . . 34 GLN CG . 15779 1 203 . 1 1 35 35 GLN N N 15 115.372 0.005 . 1 . . . . 34 GLN N . 15779 1 204 . 1 1 35 35 GLN NE2 N 15 111.505 0.012 . 1 . . . . 34 GLN NE2 . 15779 1 205 . 1 1 36 36 ASN H H 1 7.909 0.001 . 1 . . . . 35 ASN H . 15779 1 206 . 1 1 36 36 ASN HD21 H 1 7.574 0.002 . 2 . . . . 35 ASN HD21 . 15779 1 207 . 1 1 36 36 ASN HD22 H 1 7.079 0.004 . 2 . . . . 35 ASN HD22 . 15779 1 208 . 1 1 36 36 ASN C C 13 178.293 0.000 . 1 . . . . 35 ASN C . 15779 1 209 . 1 1 36 36 ASN CA C 13 55.157 0.025 . 1 . . . . 35 ASN CA . 15779 1 210 . 1 1 36 36 ASN CB C 13 40.227 0.002 . 1 . . . . 35 ASN CB . 15779 1 211 . 1 1 36 36 ASN N N 15 110.584 0.011 . 1 . . . . 35 ASN N . 15779 1 212 . 1 1 36 36 ASN ND2 N 15 116.210 0.012 . 1 . . . . 35 ASN ND2 . 15779 1 213 . 1 1 37 37 THR H H 1 7.482 0.004 . 1 . . . . 36 THR H . 15779 1 214 . 1 1 37 37 THR C C 13 176.892 0.000 . 1 . . . . 36 THR C . 15779 1 215 . 1 1 37 37 THR CA C 13 69.873 0.011 . 1 . . . . 36 THR CA . 15779 1 216 . 1 1 37 37 THR CB C 13 67.239 0.061 . 1 . . . . 36 THR CB . 15779 1 217 . 1 1 37 37 THR CG2 C 13 21.194 0.000 . 1 . . . . 36 THR CG2 . 15779 1 218 . 1 1 37 37 THR N N 15 122.536 0.013 . 1 . . . . 36 THR N . 15779 1 219 . 1 1 38 38 ALA H H 1 9.149 0.001 . 1 . . . . 37 ALA H . 15779 1 220 . 1 1 38 38 ALA C C 13 177.189 0.000 . 1 . . . . 37 ALA C . 15779 1 221 . 1 1 38 38 ALA CA C 13 53.666 0.032 . 1 . . . . 37 ALA CA . 15779 1 222 . 1 1 38 38 ALA CB C 13 18.879 0.067 . 1 . . . . 37 ALA CB . 15779 1 223 . 1 1 38 38 ALA N N 15 121.433 0.017 . 1 . . . . 37 ALA N . 15779 1 224 . 1 1 39 39 PHE H H 1 7.054 0.001 . 1 . . . . 38 PHE H . 15779 1 225 . 1 1 39 39 PHE C C 13 175.687 0.000 . 1 . . . . 38 PHE C . 15779 1 226 . 1 1 39 39 PHE CA C 13 57.472 0.022 . 1 . . . . 38 PHE CA . 15779 1 227 . 1 1 39 39 PHE CB C 13 39.726 0.015 . 1 . . . . 38 PHE CB . 15779 1 228 . 1 1 39 39 PHE N N 15 114.479 0.009 . 1 . . . . 38 PHE N . 15779 1 229 . 1 1 40 40 SER H H 1 7.529 0.002 . 1 . . . . 39 SER H . 15779 1 230 . 1 1 40 40 SER C C 13 175.440 0.000 . 1 . . . . 39 SER C . 15779 1 231 . 1 1 40 40 SER CA C 13 56.486 0.046 . 1 . . . . 39 SER CA . 15779 1 232 . 1 1 40 40 SER CB C 13 63.766 0.025 . 1 . . . . 39 SER CB . 15779 1 233 . 1 1 40 40 SER N N 15 116.975 0.013 . 1 . . . . 39 SER N . 15779 1 234 . 1 1 41 41 GLY H H 1 8.714 0.004 . 1 . . . . 40 GLY H . 15779 1 235 . 1 1 41 41 GLY C C 13 174.137 0.000 . 1 . . . . 40 GLY C . 15779 1 236 . 1 1 41 41 GLY CA C 13 46.171 0.044 . 1 . . . . 40 GLY CA . 15779 1 237 . 1 1 41 41 GLY N N 15 108.266 0.008 . 1 . . . . 40 GLY N . 15779 1 238 . 1 1 42 42 TYR H H 1 7.913 0.001 . 1 . . . . 41 TYR H . 15779 1 239 . 1 1 42 42 TYR C C 13 173.321 0.000 . 1 . . . . 41 TYR C . 15779 1 240 . 1 1 42 42 TYR CA C 13 59.687 0.000 . 1 . . . . 41 TYR CA . 15779 1 241 . 1 1 42 42 TYR CB C 13 32.145 0.022 . 1 . . . . 41 TYR CB . 15779 1 242 . 1 1 42 42 TYR N N 15 110.778 0.006 . 1 . . . . 41 TYR N . 15779 1 243 . 1 1 43 43 ASP H H 1 6.941 0.002 . 1 . . . . 42 ASP H . 15779 1 244 . 1 1 43 43 ASP C C 13 174.493 0.000 . 1 . . . . 42 ASP C . 15779 1 245 . 1 1 43 43 ASP CA C 13 55.102 0.036 . 1 . . . . 42 ASP CA . 15779 1 246 . 1 1 43 43 ASP CB C 13 40.311 0.017 . 1 . . . . 42 ASP CB . 15779 1 247 . 1 1 43 43 ASP N N 15 116.809 0.008 . 1 . . . . 42 ASP N . 15779 1 248 . 1 1 44 44 TYR H H 1 9.294 0.004 . 1 . . . . 43 TYR H . 15779 1 249 . 1 1 44 44 TYR C C 13 171.897 0.000 . 1 . . . . 43 TYR C . 15779 1 250 . 1 1 44 44 TYR CA C 13 56.786 0.022 . 1 . . . . 43 TYR CA . 15779 1 251 . 1 1 44 44 TYR CB C 13 43.491 0.018 . 1 . . . . 43 TYR CB . 15779 1 252 . 1 1 44 44 TYR N N 15 127.861 0.008 . 1 . . . . 43 TYR N . 15779 1 253 . 1 1 45 45 LYS H H 1 7.603 0.003 . 1 . . . . 44 LYS H . 15779 1 254 . 1 1 45 45 LYS C C 13 174.049 0.000 . 1 . . . . 44 LYS C . 15779 1 255 . 1 1 45 45 LYS CA C 13 54.019 0.017 . 1 . . . . 44 LYS CA . 15779 1 256 . 1 1 45 45 LYS CB C 13 35.084 0.027 . 1 . . . . 44 LYS CB . 15779 1 257 . 1 1 45 45 LYS CD C 13 29.886 0.000 . 1 . . . . 44 LYS CD . 15779 1 258 . 1 1 45 45 LYS CE C 13 42.076 0.000 . 1 . . . . 44 LYS CE . 15779 1 259 . 1 1 45 45 LYS CG C 13 24.230 0.000 . 1 . . . . 44 LYS CG . 15779 1 260 . 1 1 45 45 LYS N N 15 125.009 0.023 . 1 . . . . 44 LYS N . 15779 1 261 . 1 1 46 46 THR H H 1 8.064 0.003 . 1 . . . . 45 THR H . 15779 1 262 . 1 1 46 46 THR C C 13 171.310 0.000 . 1 . . . . 45 THR C . 15779 1 263 . 1 1 46 46 THR CA C 13 60.347 0.095 . 1 . . . . 45 THR CA . 15779 1 264 . 1 1 46 46 THR CB C 13 68.350 0.056 . 1 . . . . 45 THR CB . 15779 1 265 . 1 1 46 46 THR CG2 C 13 19.649 0.000 . 1 . . . . 45 THR CG2 . 15779 1 266 . 1 1 46 46 THR N N 15 112.026 0.041 . 1 . . . . 45 THR N . 15779 1 267 . 1 1 47 47 SER H H 1 8.220 0.001 . 1 . . . . 46 SER H . 15779 1 268 . 1 1 47 47 SER C C 13 174.349 0.000 . 1 . . . . 46 SER C . 15779 1 269 . 1 1 47 47 SER CA C 13 56.745 0.041 . 1 . . . . 46 SER CA . 15779 1 270 . 1 1 47 47 SER CB C 13 67.233 0.021 . 1 . . . . 46 SER CB . 15779 1 271 . 1 1 47 47 SER N N 15 113.691 0.016 . 1 . . . . 46 SER N . 15779 1 272 . 1 1 48 48 ARG H H 1 8.621 0.001 . 1 . . . . 47 ARG H . 15779 1 273 . 1 1 48 48 ARG C C 13 175.391 0.000 . 1 . . . . 47 ARG C . 15779 1 274 . 1 1 48 48 ARG CA C 13 54.628 0.035 . 1 . . . . 47 ARG CA . 15779 1 275 . 1 1 48 48 ARG CB C 13 34.686 0.040 . 1 . . . . 47 ARG CB . 15779 1 276 . 1 1 48 48 ARG CD C 13 42.356 0.000 . 1 . . . . 47 ARG CD . 15779 1 277 . 1 1 48 48 ARG CG C 13 26.668 0.000 . 1 . . . . 47 ARG CG . 15779 1 278 . 1 1 48 48 ARG N N 15 118.633 0.024 . 1 . . . . 47 ARG N . 15779 1 279 . 1 1 49 49 ALA H H 1 9.032 0.003 . 1 . . . . 48 ALA H . 15779 1 280 . 1 1 49 49 ALA C C 13 177.000 0.000 . 1 . . . . 48 ALA C . 15779 1 281 . 1 1 49 49 ALA CA C 13 52.298 0.028 . 1 . . . . 48 ALA CA . 15779 1 282 . 1 1 49 49 ALA CB C 13 19.513 0.000 . 1 . . . . 48 ALA CB . 15779 1 283 . 1 1 49 49 ALA N N 15 132.195 0.012 . 1 . . . . 48 ALA N . 15779 1 284 . 1 1 50 50 GLY H H 1 8.451 0.001 . 1 . . . . 49 GLY H . 15779 1 285 . 1 1 50 50 GLY C C 13 173.228 0.000 . 1 . . . . 49 GLY C . 15779 1 286 . 1 1 50 50 GLY CA C 13 44.311 0.008 . 1 . . . . 49 GLY CA . 15779 1 287 . 1 1 50 50 GLY N N 15 108.957 0.010 . 1 . . . . 49 GLY N . 15779 1 288 . 1 1 51 51 SER H H 1 8.290 0.001 . 1 . . . . 50 SER H . 15779 1 289 . 1 1 51 51 SER C C 13 175.529 0.000 . 1 . . . . 50 SER C . 15779 1 290 . 1 1 51 51 SER CA C 13 57.296 0.039 . 1 . . . . 50 SER CA . 15779 1 291 . 1 1 51 51 SER CB C 13 64.887 0.024 . 1 . . . . 50 SER CB . 15779 1 292 . 1 1 51 51 SER N N 15 115.680 0.005 . 1 . . . . 50 SER N . 15779 1 293 . 1 1 52 52 GLY H H 1 8.898 0.002 . 1 . . . . 51 GLY H . 15779 1 294 . 1 1 52 52 GLY C C 13 175.377 0.000 . 1 . . . . 51 GLY C . 15779 1 295 . 1 1 52 52 GLY CA C 13 47.231 0.018 . 1 . . . . 51 GLY CA . 15779 1 296 . 1 1 52 52 GLY N N 15 109.341 0.049 . 1 . . . . 51 GLY N . 15779 1 297 . 1 1 53 53 GLY H H 1 8.534 0.001 . 1 . . . . 52 GLY H . 15779 1 298 . 1 1 53 53 GLY C C 13 174.437 0.000 . 1 . . . . 52 GLY C . 15779 1 299 . 1 1 53 53 GLY CA C 13 44.690 0.030 . 1 . . . . 52 GLY CA . 15779 1 300 . 1 1 53 53 GLY N N 15 107.446 0.006 . 1 . . . . 52 GLY N . 15779 1 301 . 1 1 54 54 ALA H H 1 7.510 0.001 . 1 . . . . 53 ALA H . 15779 1 302 . 1 1 54 54 ALA CA C 13 50.000 0.000 . 1 . . . . 53 ALA CA . 15779 1 303 . 1 1 54 54 ALA CB C 13 18.624 0.000 . 1 . . . . 53 ALA CB . 15779 1 304 . 1 1 54 54 ALA N N 15 123.905 0.003 . 1 . . . . 53 ALA N . 15779 1 305 . 1 1 55 55 PRO C C 13 175.522 0.000 . 1 . . . . 54 PRO C . 15779 1 306 . 1 1 55 55 PRO CA C 13 62.321 0.000 . 1 . . . . 54 PRO CA . 15779 1 307 . 1 1 55 55 PRO CB C 13 32.236 0.000 . 1 . . . . 54 PRO CB . 15779 1 308 . 1 1 55 55 PRO CD C 13 50.860 0.000 . 1 . . . . 54 PRO CD . 15779 1 309 . 1 1 55 55 PRO CG C 13 27.186 0.000 . 1 . . . . 54 PRO CG . 15779 1 310 . 1 1 56 56 THR H H 1 8.597 0.003 . 1 . . . . 55 THR H . 15779 1 311 . 1 1 56 56 THR C C 13 171.517 0.000 . 1 . . . . 55 THR C . 15779 1 312 . 1 1 56 56 THR CA C 13 63.547 0.000 . 1 . . . . 55 THR CA . 15779 1 313 . 1 1 56 56 THR CB C 13 70.139 0.000 . 1 . . . . 55 THR CB . 15779 1 314 . 1 1 56 56 THR CG2 C 13 21.767 0.000 . 1 . . . . 55 THR CG2 . 15779 1 315 . 1 1 56 56 THR N N 15 118.773 0.008 . 1 . . . . 55 THR N . 15779 1 316 . 1 1 57 57 ALA H H 1 7.720 0.003 . 1 . . . . 56 ALA H . 15779 1 317 . 1 1 57 57 ALA C C 13 174.985 0.000 . 1 . . . . 56 ALA C . 15779 1 318 . 1 1 57 57 ALA CA C 13 49.896 0.032 . 1 . . . . 56 ALA CA . 15779 1 319 . 1 1 57 57 ALA CB C 13 20.820 0.089 . 1 . . . . 56 ALA CB . 15779 1 320 . 1 1 57 57 ALA N N 15 125.009 0.017 . 1 . . . . 56 ALA N . 15779 1 321 . 1 1 58 58 TYR H H 1 9.125 0.004 . 1 . . . . 57 TYR H . 15779 1 322 . 1 1 58 58 TYR C C 13 175.634 0.000 . 1 . . . . 57 TYR C . 15779 1 323 . 1 1 58 58 TYR CA C 13 57.073 0.024 . 1 . . . . 57 TYR CA . 15779 1 324 . 1 1 58 58 TYR CB C 13 39.601 0.050 . 1 . . . . 57 TYR CB . 15779 1 325 . 1 1 58 58 TYR N N 15 123.426 0.002 . 1 . . . . 57 TYR N . 15779 1 326 . 1 1 59 59 GLY H H 1 8.816 0.001 . 1 . . . . 58 GLY H . 15779 1 327 . 1 1 59 59 GLY C C 13 171.811 0.000 . 1 . . . . 58 GLY C . 15779 1 328 . 1 1 59 59 GLY CA C 13 45.903 0.040 . 1 . . . . 58 GLY CA . 15779 1 329 . 1 1 59 59 GLY N N 15 109.829 0.014 . 1 . . . . 58 GLY N . 15779 1 330 . 1 1 60 60 ARG H H 1 9.107 0.001 . 1 . . . . 59 ARG H . 15779 1 331 . 1 1 60 60 ARG C C 13 172.792 0.000 . 1 . . . . 59 ARG C . 15779 1 332 . 1 1 60 60 ARG CA C 13 54.914 0.070 . 1 . . . . 59 ARG CA . 15779 1 333 . 1 1 60 60 ARG CB C 13 35.225 0.080 . 1 . . . . 59 ARG CB . 15779 1 334 . 1 1 60 60 ARG CD C 13 44.300 0.000 . 1 . . . . 59 ARG CD . 15779 1 335 . 1 1 60 60 ARG CG C 13 27.815 0.000 . 1 . . . . 59 ARG CG . 15779 1 336 . 1 1 60 60 ARG N N 15 121.145 0.005 . 1 . . . . 59 ARG N . 15779 1 337 . 1 1 61 61 ALA H H 1 9.448 0.001 . 1 . . . . 60 ALA H . 15779 1 338 . 1 1 61 61 ALA C C 13 175.991 0.000 . 1 . . . . 60 ALA C . 15779 1 339 . 1 1 61 61 ALA CA C 13 50.087 0.011 . 1 . . . . 60 ALA CA . 15779 1 340 . 1 1 61 61 ALA CB C 13 25.389 0.040 . 1 . . . . 60 ALA CB . 15779 1 341 . 1 1 61 61 ALA N N 15 127.549 0.004 . 1 . . . . 60 ALA N . 15779 1 342 . 1 1 62 62 THR H H 1 9.002 0.003 . 1 . . . . 61 THR H . 15779 1 343 . 1 1 62 62 THR C C 13 173.805 0.000 . 1 . . . . 61 THR C . 15779 1 344 . 1 1 62 62 THR CA C 13 59.134 0.020 . 1 . . . . 61 THR CA . 15779 1 345 . 1 1 62 62 THR CB C 13 73.004 0.000 . 1 . . . . 61 THR CB . 15779 1 346 . 1 1 62 62 THR CG2 C 13 22.189 0.000 . 1 . . . . 61 THR CG2 . 15779 1 347 . 1 1 62 62 THR N N 15 108.224 0.006 . 1 . . . . 61 THR N . 15779 1 348 . 1 1 63 63 CYS H H 1 8.087 0.001 . 1 . . . . 62 CYS H . 15779 1 349 . 1 1 63 63 CYS C C 13 173.132 0.000 . 1 . . . . 62 CYS C . 15779 1 350 . 1 1 63 63 CYS CA C 13 52.815 0.031 . 1 . . . . 62 CYS CA . 15779 1 351 . 1 1 63 63 CYS CB C 13 48.926 0.022 . 1 . . . . 62 CYS CB . 15779 1 352 . 1 1 63 63 CYS N N 15 115.437 0.004 . 1 . . . . 62 CYS N . 15779 1 353 . 1 1 64 64 LYS H H 1 8.003 0.003 . 1 . . . . 63 LYS H . 15779 1 354 . 1 1 64 64 LYS C C 13 177.400 0.000 . 1 . . . . 63 LYS C . 15779 1 355 . 1 1 64 64 LYS CA C 13 57.331 0.064 . 1 . . . . 63 LYS CA . 15779 1 356 . 1 1 64 64 LYS CB C 13 32.940 0.008 . 1 . . . . 63 LYS CB . 15779 1 357 . 1 1 64 64 LYS CD C 13 29.335 0.000 . 1 . . . . 63 LYS CD . 15779 1 358 . 1 1 64 64 LYS CE C 13 42.147 0.000 . 1 . . . . 63 LYS CE . 15779 1 359 . 1 1 64 64 LYS CG C 13 25.084 0.000 . 1 . . . . 63 LYS CG . 15779 1 360 . 1 1 64 64 LYS N N 15 123.736 0.010 . 1 . . . . 63 LYS N . 15779 1 361 . 1 1 65 65 GLN H H 1 8.644 0.002 . 1 . . . . 64 GLN H . 15779 1 362 . 1 1 65 65 GLN HE21 H 1 7.558 0.002 . 2 . . . . 64 GLN HE21 . 15779 1 363 . 1 1 65 65 GLN HE22 H 1 6.714 0.004 . 2 . . . . 64 GLN HE22 . 15779 1 364 . 1 1 65 65 GLN C C 13 176.152 0.000 . 1 . . . . 64 GLN C . 15779 1 365 . 1 1 65 65 GLN CA C 13 59.465 0.044 . 1 . . . . 64 GLN CA . 15779 1 366 . 1 1 65 65 GLN CB C 13 28.618 0.002 . 1 . . . . 64 GLN CB . 15779 1 367 . 1 1 65 65 GLN CG C 13 34.013 0.000 . 1 . . . . 64 GLN CG . 15779 1 368 . 1 1 65 65 GLN N N 15 123.199 0.015 . 1 . . . . 64 GLN N . 15779 1 369 . 1 1 65 65 GLN NE2 N 15 111.887 0.010 . 1 . . . . 64 GLN NE2 . 15779 1 370 . 1 1 66 66 SER H H 1 7.472 0.003 . 1 . . . . 65 SER H . 15779 1 371 . 1 1 66 66 SER C C 13 175.189 0.000 . 1 . . . . 65 SER C . 15779 1 372 . 1 1 66 66 SER CA C 13 58.517 0.014 . 1 . . . . 65 SER CA . 15779 1 373 . 1 1 66 66 SER CB C 13 63.071 0.054 . 1 . . . . 65 SER CB . 15779 1 374 . 1 1 66 66 SER N N 15 108.050 0.013 . 1 . . . . 65 SER N . 15779 1 375 . 1 1 67 67 ILE H H 1 7.388 0.001 . 1 . . . . 66 ILE H . 15779 1 376 . 1 1 67 67 ILE C C 13 176.674 0.000 . 1 . . . . 66 ILE C . 15779 1 377 . 1 1 67 67 ILE CA C 13 61.026 0.075 . 1 . . . . 66 ILE CA . 15779 1 378 . 1 1 67 67 ILE CB C 13 38.705 0.044 . 1 . . . . 66 ILE CB . 15779 1 379 . 1 1 67 67 ILE CD1 C 13 13.963 0.000 . 1 . . . . 66 ILE CD1 . 15779 1 380 . 1 1 67 67 ILE CG1 C 13 22.622 0.000 . 1 . . . . 66 ILE CG1 . 15779 1 381 . 1 1 67 67 ILE CG2 C 13 17.059 0.000 . 1 . . . . 66 ILE CG2 . 15779 1 382 . 1 1 67 67 ILE N N 15 116.163 0.019 . 1 . . . . 66 ILE N . 15779 1 383 . 1 1 68 68 SER H H 1 9.394 0.001 . 1 . . . . 67 SER H . 15779 1 384 . 1 1 68 68 SER C C 13 174.646 0.000 . 1 . . . . 67 SER C . 15779 1 385 . 1 1 68 68 SER CA C 13 57.478 0.032 . 1 . . . . 67 SER CA . 15779 1 386 . 1 1 68 68 SER CB C 13 64.893 0.042 . 1 . . . . 67 SER CB . 15779 1 387 . 1 1 68 68 SER N N 15 120.814 0.016 . 1 . . . . 67 SER N . 15779 1 388 . 1 1 69 69 GLN H H 1 9.099 0.001 . 1 . . . . 68 GLN H . 15779 1 389 . 1 1 69 69 GLN HE21 H 1 7.110 0.000 . 2 . . . . 68 GLN HE21 . 15779 1 390 . 1 1 69 69 GLN HE22 H 1 7.030 0.001 . 2 . . . . 68 GLN HE22 . 15779 1 391 . 1 1 69 69 GLN C C 13 178.801 0.000 . 1 . . . . 68 GLN C . 15779 1 392 . 1 1 69 69 GLN CA C 13 60.294 0.010 . 1 . . . . 68 GLN CA . 15779 1 393 . 1 1 69 69 GLN CB C 13 28.626 0.059 . 1 . . . . 68 GLN CB . 15779 1 394 . 1 1 69 69 GLN CG C 13 35.095 0.000 . 1 . . . . 68 GLN CG . 15779 1 395 . 1 1 69 69 GLN N N 15 121.763 0.013 . 1 . . . . 68 GLN N . 15779 1 396 . 1 1 69 69 GLN NE2 N 15 112.421 0.016 . 1 . . . . 68 GLN NE2 . 15779 1 397 . 1 1 70 70 SER H H 1 8.541 0.003 . 1 . . . . 69 SER H . 15779 1 398 . 1 1 70 70 SER C C 13 177.416 0.000 . 1 . . . . 69 SER C . 15779 1 399 . 1 1 70 70 SER CA C 13 60.909 0.000 . 1 . . . . 69 SER CA . 15779 1 400 . 1 1 70 70 SER CB C 13 62.123 0.000 . 1 . . . . 69 SER CB . 15779 1 401 . 1 1 70 70 SER N N 15 113.204 0.016 . 1 . . . . 69 SER N . 15779 1 402 . 1 1 71 71 ASP H H 1 7.950 0.004 . 1 . . . . 70 ASP H . 15779 1 403 . 1 1 71 71 ASP C C 13 177.777 0.000 . 1 . . . . 70 ASP C . 15779 1 404 . 1 1 71 71 ASP CA C 13 57.233 0.042 . 1 . . . . 70 ASP CA . 15779 1 405 . 1 1 71 71 ASP CB C 13 39.328 0.024 . 1 . . . . 70 ASP CB . 15779 1 406 . 1 1 71 71 ASP N N 15 124.931 0.009 . 1 . . . . 70 ASP N . 15779 1 407 . 1 1 72 72 CYS H H 1 8.566 0.001 . 1 . . . . 71 CYS H . 15779 1 408 . 1 1 72 72 CYS C C 13 175.246 0.000 . 1 . . . . 71 CYS C . 15779 1 409 . 1 1 72 72 CYS CA C 13 57.648 0.000 . 1 . . . . 71 CYS CA . 15779 1 410 . 1 1 72 72 CYS CB C 13 34.129 0.021 . 1 . . . . 71 CYS CB . 15779 1 411 . 1 1 72 72 CYS N N 15 120.660 0.045 . 1 . . . . 71 CYS N . 15779 1 412 . 1 1 73 73 THR H H 1 8.237 0.002 . 1 . . . . 72 THR H . 15779 1 413 . 1 1 73 73 THR C C 13 177.166 0.000 . 1 . . . . 72 THR C . 15779 1 414 . 1 1 73 73 THR CA C 13 66.311 0.062 . 1 . . . . 72 THR CA . 15779 1 415 . 1 1 73 73 THR CB C 13 68.187 0.005 . 1 . . . . 72 THR CB . 15779 1 416 . 1 1 73 73 THR CG2 C 13 22.447 0.000 . 1 . . . . 72 THR CG2 . 15779 1 417 . 1 1 73 73 THR N N 15 116.785 0.008 . 1 . . . . 72 THR N . 15779 1 418 . 1 1 74 74 ALA H H 1 8.579 0.001 . 1 . . . . 73 ALA H . 15779 1 419 . 1 1 74 74 ALA C C 13 180.617 0.000 . 1 . . . . 73 ALA C . 15779 1 420 . 1 1 74 74 ALA CA C 13 55.920 0.031 . 1 . . . . 73 ALA CA . 15779 1 421 . 1 1 74 74 ALA CB C 13 18.674 0.079 . 1 . . . . 73 ALA CB . 15779 1 422 . 1 1 74 74 ALA N N 15 125.196 0.008 . 1 . . . . 73 ALA N . 15779 1 423 . 1 1 75 75 CYS H H 1 8.678 0.001 . 1 . . . . 74 CYS H . 15779 1 424 . 1 1 75 75 CYS C C 13 176.187 0.000 . 1 . . . . 74 CYS C . 15779 1 425 . 1 1 75 75 CYS CA C 13 60.862 0.034 . 1 . . . . 74 CYS CA . 15779 1 426 . 1 1 75 75 CYS CB C 13 38.265 0.039 . 1 . . . . 74 CYS CB . 15779 1 427 . 1 1 75 75 CYS N N 15 121.590 0.007 . 1 . . . . 74 CYS N . 15779 1 428 . 1 1 76 76 LEU H H 1 8.489 0.001 . 1 . . . . 75 LEU H . 15779 1 429 . 1 1 76 76 LEU C C 13 178.968 0.000 . 1 . . . . 75 LEU C . 15779 1 430 . 1 1 76 76 LEU CA C 13 57.829 0.045 . 1 . . . . 75 LEU CA . 15779 1 431 . 1 1 76 76 LEU CB C 13 42.483 0.040 . 1 . . . . 75 LEU CB . 15779 1 432 . 1 1 76 76 LEU CD1 C 13 24.567 0.000 . 2 . . . . 75 LEU CD1 . 15779 1 433 . 1 1 76 76 LEU CG C 13 26.908 0.000 . 1 . . . . 75 LEU CG . 15779 1 434 . 1 1 76 76 LEU N N 15 119.555 0.033 . 1 . . . . 75 LEU N . 15779 1 435 . 1 1 77 77 SER H H 1 8.776 0.004 . 1 . . . . 76 SER H . 15779 1 436 . 1 1 77 77 SER C C 13 175.947 0.000 . 1 . . . . 76 SER C . 15779 1 437 . 1 1 77 77 SER CA C 13 62.625 0.000 . 1 . . . . 76 SER CA . 15779 1 438 . 1 1 77 77 SER N N 15 115.717 0.015 . 1 . . . . 76 SER N . 15779 1 439 . 1 1 78 78 ASN H H 1 7.650 0.003 . 1 . . . . 77 ASN H . 15779 1 440 . 1 1 78 78 ASN HD21 H 1 7.639 0.002 . 2 . . . . 77 ASN HD21 . 15779 1 441 . 1 1 78 78 ASN HD22 H 1 6.877 0.002 . 2 . . . . 77 ASN HD22 . 15779 1 442 . 1 1 78 78 ASN C C 13 177.095 0.000 . 1 . . . . 77 ASN C . 15779 1 443 . 1 1 78 78 ASN CA C 13 57.176 0.000 . 1 . . . . 77 ASN CA . 15779 1 444 . 1 1 78 78 ASN CB C 13 39.978 0.045 . 1 . . . . 77 ASN CB . 15779 1 445 . 1 1 78 78 ASN N N 15 121.224 0.024 . 1 . . . . 77 ASN N . 15779 1 446 . 1 1 78 78 ASN ND2 N 15 110.828 0.031 . 1 . . . . 77 ASN ND2 . 15779 1 447 . 1 1 79 79 LEU H H 1 8.571 0.001 . 1 . . . . 78 LEU H . 15779 1 448 . 1 1 79 79 LEU C C 13 179.667 0.000 . 1 . . . . 78 LEU C . 15779 1 449 . 1 1 79 79 LEU CA C 13 59.548 0.050 . 1 . . . . 78 LEU CA . 15779 1 450 . 1 1 79 79 LEU CB C 13 41.386 0.032 . 1 . . . . 78 LEU CB . 15779 1 451 . 1 1 79 79 LEU CD1 C 13 23.444 0.000 . 2 . . . . 78 LEU CD1 . 15779 1 452 . 1 1 79 79 LEU CD2 C 13 25.953 0.000 . 2 . . . . 78 LEU CD2 . 15779 1 453 . 1 1 79 79 LEU CG C 13 28.609 0.000 . 1 . . . . 78 LEU CG . 15779 1 454 . 1 1 79 79 LEU N N 15 120.797 0.029 . 1 . . . . 78 LEU N . 15779 1 455 . 1 1 80 80 VAL H H 1 9.043 0.001 . 1 . . . . 79 VAL H . 15779 1 456 . 1 1 80 80 VAL C C 13 177.033 0.000 . 1 . . . . 79 VAL C . 15779 1 457 . 1 1 80 80 VAL CA C 13 66.902 0.033 . 1 . . . . 79 VAL CA . 15779 1 458 . 1 1 80 80 VAL CB C 13 31.338 0.025 . 1 . . . . 79 VAL CB . 15779 1 459 . 1 1 80 80 VAL CG1 C 13 24.207 0.000 . 2 . . . . 79 VAL CG1 . 15779 1 460 . 1 1 80 80 VAL CG2 C 13 22.424 0.000 . 2 . . . . 79 VAL CG2 . 15779 1 461 . 1 1 80 80 VAL N N 15 119.090 0.009 . 1 . . . . 79 VAL N . 15779 1 462 . 1 1 81 81 ASN H H 1 7.339 0.001 . 1 . . . . 80 ASN H . 15779 1 463 . 1 1 81 81 ASN HD21 H 1 7.563 0.007 . 2 . . . . 80 ASN HD21 . 15779 1 464 . 1 1 81 81 ASN HD22 H 1 6.902 0.000 . 2 . . . . 80 ASN HD22 . 15779 1 465 . 1 1 81 81 ASN C C 13 177.443 0.000 . 1 . . . . 80 ASN C . 15779 1 466 . 1 1 81 81 ASN CA C 13 55.755 0.012 . 1 . . . . 80 ASN CA . 15779 1 467 . 1 1 81 81 ASN CB C 13 38.308 0.003 . 1 . . . . 80 ASN CB . 15779 1 468 . 1 1 81 81 ASN N N 15 114.987 0.013 . 1 . . . . 80 ASN N . 15779 1 469 . 1 1 81 81 ASN ND2 N 15 112.573 0.014 . 1 . . . . 80 ASN ND2 . 15779 1 470 . 1 1 82 82 ARG H H 1 7.776 0.005 . 1 . . . . 81 ARG H . 15779 1 471 . 1 1 82 82 ARG C C 13 178.756 0.000 . 1 . . . . 81 ARG C . 15779 1 472 . 1 1 82 82 ARG CA C 13 57.496 0.058 . 1 . . . . 81 ARG CA . 15779 1 473 . 1 1 82 82 ARG CB C 13 33.631 0.035 . 1 . . . . 81 ARG CB . 15779 1 474 . 1 1 82 82 ARG CD C 13 45.508 0.000 . 1 . . . . 81 ARG CD . 15779 1 475 . 1 1 82 82 ARG CG C 13 26.228 0.000 . 1 . . . . 81 ARG CG . 15779 1 476 . 1 1 82 82 ARG N N 15 117.703 0.007 . 1 . . . . 81 ARG N . 15779 1 477 . 1 1 83 83 ILE H H 1 8.450 0.001 . 1 . . . . 82 ILE H . 15779 1 478 . 1 1 83 83 ILE C C 13 176.426 0.000 . 1 . . . . 82 ILE C . 15779 1 479 . 1 1 83 83 ILE CA C 13 66.750 0.005 . 1 . . . . 82 ILE CA . 15779 1 480 . 1 1 83 83 ILE CB C 13 38.229 0.013 . 1 . . . . 82 ILE CB . 15779 1 481 . 1 1 83 83 ILE CG1 C 13 30.904 0.000 . 1 . . . . 82 ILE CG1 . 15779 1 482 . 1 1 83 83 ILE CG2 C 13 14.812 0.000 . 1 . . . . 82 ILE CG2 . 15779 1 483 . 1 1 83 83 ILE N N 15 121.433 0.012 . 1 . . . . 82 ILE N . 15779 1 484 . 1 1 84 84 PHE H H 1 7.686 0.002 . 1 . . . . 83 PHE H . 15779 1 485 . 1 1 84 84 PHE C C 13 177.362 0.000 . 1 . . . . 83 PHE C . 15779 1 486 . 1 1 84 84 PHE CA C 13 61.769 0.046 . 1 . . . . 83 PHE CA . 15779 1 487 . 1 1 84 84 PHE CB C 13 37.222 0.052 . 1 . . . . 83 PHE CB . 15779 1 488 . 1 1 84 84 PHE N N 15 122.550 0.040 . 1 . . . . 83 PHE N . 15779 1 489 . 1 1 85 85 SER H H 1 7.948 0.002 . 1 . . . . 84 SER H . 15779 1 490 . 1 1 85 85 SER C C 13 177.553 0.000 . 1 . . . . 84 SER C . 15779 1 491 . 1 1 85 85 SER CA C 13 60.245 0.070 . 1 . . . . 84 SER CA . 15779 1 492 . 1 1 85 85 SER CB C 13 62.613 0.028 . 1 . . . . 84 SER CB . 15779 1 493 . 1 1 85 85 SER N N 15 115.209 0.008 . 1 . . . . 84 SER N . 15779 1 494 . 1 1 86 86 ILE H H 1 8.521 0.003 . 1 . . . . 85 ILE H . 15779 1 495 . 1 1 86 86 ILE C C 13 177.529 0.000 . 1 . . . . 85 ILE C . 15779 1 496 . 1 1 86 86 ILE CA C 13 65.106 0.071 . 1 . . . . 85 ILE CA . 15779 1 497 . 1 1 86 86 ILE CB C 13 38.598 0.032 . 1 . . . . 85 ILE CB . 15779 1 498 . 1 1 86 86 ILE CD1 C 13 13.890 0.000 . 1 . . . . 85 ILE CD1 . 15779 1 499 . 1 1 86 86 ILE CG1 C 13 28.944 0.000 . 1 . . . . 85 ILE CG1 . 15779 1 500 . 1 1 86 86 ILE CG2 C 13 17.560 0.000 . 1 . . . . 85 ILE CG2 . 15779 1 501 . 1 1 86 86 ILE N N 15 121.371 0.005 . 1 . . . . 85 ILE N . 15779 1 502 . 1 1 87 87 CYS H H 1 7.069 0.004 . 1 . . . . 86 CYS H . 15779 1 503 . 1 1 87 87 CYS C C 13 174.676 0.000 . 1 . . . . 86 CYS C . 15779 1 504 . 1 1 87 87 CYS CA C 13 50.970 0.025 . 1 . . . . 86 CYS CA . 15779 1 505 . 1 1 87 87 CYS CB C 13 36.198 0.034 . 1 . . . . 86 CYS CB . 15779 1 506 . 1 1 87 87 CYS N N 15 110.032 0.027 . 1 . . . . 86 CYS N . 15779 1 507 . 1 1 88 88 ASN H H 1 7.574 0.001 . 1 . . . . 87 ASN H . 15779 1 508 . 1 1 88 88 ASN HD21 H 1 7.605 0.005 . 2 . . . . 87 ASN HD21 . 15779 1 509 . 1 1 88 88 ASN HD22 H 1 6.817 0.001 . 2 . . . . 87 ASN HD22 . 15779 1 510 . 1 1 88 88 ASN C C 13 173.867 0.000 . 1 . . . . 87 ASN C . 15779 1 511 . 1 1 88 88 ASN CA C 13 54.755 0.039 . 1 . . . . 87 ASN CA . 15779 1 512 . 1 1 88 88 ASN CB C 13 37.091 0.041 . 1 . . . . 87 ASN CB . 15779 1 513 . 1 1 88 88 ASN N N 15 120.164 0.015 . 1 . . . . 87 ASN N . 15779 1 514 . 1 1 88 88 ASN ND2 N 15 111.631 0.009 . 1 . . . . 87 ASN ND2 . 15779 1 515 . 1 1 89 89 ASN H H 1 8.977 0.001 . 1 . . . . 88 ASN H . 15779 1 516 . 1 1 89 89 ASN HD21 H 1 7.335 0.001 . 2 . . . . 88 ASN HD21 . 15779 1 517 . 1 1 89 89 ASN HD22 H 1 6.710 0.003 . 2 . . . . 88 ASN HD22 . 15779 1 518 . 1 1 89 89 ASN C C 13 173.534 0.000 . 1 . . . . 88 ASN C . 15779 1 519 . 1 1 89 89 ASN CA C 13 54.755 0.053 . 1 . . . . 88 ASN CA . 15779 1 520 . 1 1 89 89 ASN CB C 13 37.376 0.036 . 1 . . . . 88 ASN CB . 15779 1 521 . 1 1 89 89 ASN N N 15 113.597 0.008 . 1 . . . . 88 ASN N . 15779 1 522 . 1 1 89 89 ASN ND2 N 15 112.832 0.006 . 1 . . . . 88 ASN ND2 . 15779 1 523 . 1 1 90 90 ALA H H 1 7.226 0.001 . 1 . . . . 89 ALA H . 15779 1 524 . 1 1 90 90 ALA C C 13 179.745 0.000 . 1 . . . . 89 ALA C . 15779 1 525 . 1 1 90 90 ALA CA C 13 52.143 0.023 . 1 . . . . 89 ALA CA . 15779 1 526 . 1 1 90 90 ALA CB C 13 22.593 0.068 . 1 . . . . 89 ALA CB . 15779 1 527 . 1 1 90 90 ALA N N 15 118.682 0.011 . 1 . . . . 89 ALA N . 15779 1 528 . 1 1 91 91 ILE H H 1 8.736 0.001 . 1 . . . . 90 ILE H . 15779 1 529 . 1 1 91 91 ILE C C 13 174.458 0.000 . 1 . . . . 90 ILE C . 15779 1 530 . 1 1 91 91 ILE CA C 13 64.123 0.023 . 1 . . . . 90 ILE CA . 15779 1 531 . 1 1 91 91 ILE CB C 13 38.281 0.008 . 1 . . . . 90 ILE CB . 15779 1 532 . 1 1 91 91 ILE CD1 C 13 13.929 0.000 . 1 . . . . 90 ILE CD1 . 15779 1 533 . 1 1 91 91 ILE CG1 C 13 25.155 0.000 . 1 . . . . 90 ILE CG1 . 15779 1 534 . 1 1 91 91 ILE CG2 C 13 17.279 0.000 . 1 . . . . 90 ILE CG2 . 15779 1 535 . 1 1 91 91 ILE N N 15 112.611 0.005 . 1 . . . . 90 ILE N . 15779 1 536 . 1 1 92 92 GLY H H 1 6.753 0.001 . 1 . . . . 91 GLY H . 15779 1 537 . 1 1 92 92 GLY C C 13 171.222 0.000 . 1 . . . . 91 GLY C . 15779 1 538 . 1 1 92 92 GLY CA C 13 45.492 0.007 . 1 . . . . 91 GLY CA . 15779 1 539 . 1 1 92 92 GLY N N 15 105.741 0.015 . 1 . . . . 91 GLY N . 15779 1 540 . 1 1 93 93 ALA H H 1 7.977 0.001 . 1 . . . . 92 ALA H . 15779 1 541 . 1 1 93 93 ALA C C 13 174.657 0.000 . 1 . . . . 92 ALA C . 15779 1 542 . 1 1 93 93 ALA CA C 13 51.317 0.026 . 1 . . . . 92 ALA CA . 15779 1 543 . 1 1 93 93 ALA CB C 13 23.860 0.036 . 1 . . . . 92 ALA CB . 15779 1 544 . 1 1 93 93 ALA N N 15 123.707 0.006 . 1 . . . . 92 ALA N . 15779 1 545 . 1 1 94 94 ARG H H 1 8.334 0.001 . 1 . . . . 93 ARG H . 15779 1 546 . 1 1 94 94 ARG C C 13 175.328 0.000 . 1 . . . . 93 ARG C . 15779 1 547 . 1 1 94 94 ARG CA C 13 55.210 0.041 . 1 . . . . 93 ARG CA . 15779 1 548 . 1 1 94 94 ARG CB C 13 33.138 0.056 . 1 . . . . 93 ARG CB . 15779 1 549 . 1 1 94 94 ARG CD C 13 43.533 0.000 . 1 . . . . 93 ARG CD . 15779 1 550 . 1 1 94 94 ARG CG C 13 27.311 0.000 . 1 . . . . 93 ARG CG . 15779 1 551 . 1 1 94 94 ARG N N 15 118.776 0.004 . 1 . . . . 93 ARG N . 15779 1 552 . 1 1 95 95 VAL H H 1 8.767 0.003 . 1 . . . . 94 VAL H . 15779 1 553 . 1 1 95 95 VAL C C 13 171.089 0.000 . 1 . . . . 94 VAL C . 15779 1 554 . 1 1 95 95 VAL CA C 13 62.150 0.025 . 1 . . . . 94 VAL CA . 15779 1 555 . 1 1 95 95 VAL CB C 13 35.869 0.053 . 1 . . . . 94 VAL CB . 15779 1 556 . 1 1 95 95 VAL CG1 C 13 22.428 0.000 . 2 . . . . 94 VAL CG1 . 15779 1 557 . 1 1 95 95 VAL N N 15 123.933 0.004 . 1 . . . . 94 VAL N . 15779 1 558 . 1 1 96 96 GLN H H 1 8.893 0.004 . 1 . . . . 95 GLN H . 15779 1 559 . 1 1 96 96 GLN HE21 H 1 8.224 0.001 . 2 . . . . 95 GLN HE21 . 15779 1 560 . 1 1 96 96 GLN HE22 H 1 6.777 0.004 . 2 . . . . 95 GLN HE22 . 15779 1 561 . 1 1 96 96 GLN C C 13 175.186 0.000 . 1 . . . . 95 GLN C . 15779 1 562 . 1 1 96 96 GLN CA C 13 54.734 0.008 . 1 . . . . 95 GLN CA . 15779 1 563 . 1 1 96 96 GLN CB C 13 32.609 0.000 . 1 . . . . 95 GLN CB . 15779 1 564 . 1 1 96 96 GLN CG C 13 32.189 0.000 . 1 . . . . 95 GLN CG . 15779 1 565 . 1 1 96 96 GLN N N 15 126.992 0.011 . 1 . . . . 95 GLN N . 15779 1 566 . 1 1 96 96 GLN NE2 N 15 115.147 0.012 . 1 . . . . 95 GLN NE2 . 15779 1 567 . 1 1 97 97 LEU H H 1 9.268 0.001 . 1 . . . . 96 LEU H . 15779 1 568 . 1 1 97 97 LEU C C 13 177.735 0.000 . 1 . . . . 96 LEU C . 15779 1 569 . 1 1 97 97 LEU CA C 13 53.564 0.016 . 1 . . . . 96 LEU CA . 15779 1 570 . 1 1 97 97 LEU CB C 13 41.620 0.000 . 1 . . . . 96 LEU CB . 15779 1 571 . 1 1 97 97 LEU CD1 C 13 25.594 0.000 . 2 . . . . 96 LEU CD1 . 15779 1 572 . 1 1 97 97 LEU CD2 C 13 20.959 0.000 . 2 . . . . 96 LEU CD2 . 15779 1 573 . 1 1 97 97 LEU N N 15 126.317 0.007 . 1 . . . . 96 LEU N . 15779 1 574 . 1 1 98 98 VAL H H 1 8.364 0.003 . 1 . . . . 97 VAL H . 15779 1 575 . 1 1 98 98 VAL C C 13 179.203 0.000 . 1 . . . . 97 VAL C . 15779 1 576 . 1 1 98 98 VAL CA C 13 68.273 0.019 . 1 . . . . 97 VAL CA . 15779 1 577 . 1 1 98 98 VAL CB C 13 30.337 0.000 . 1 . . . . 97 VAL CB . 15779 1 578 . 1 1 98 98 VAL CG1 C 13 20.870 0.000 . 2 . . . . 97 VAL CG1 . 15779 1 579 . 1 1 98 98 VAL CG2 C 13 23.956 0.000 . 2 . . . . 97 VAL CG2 . 15779 1 580 . 1 1 98 98 VAL N N 15 121.443 0.022 . 1 . . . . 97 VAL N . 15779 1 581 . 1 1 99 99 ASP H H 1 7.208 0.005 . 1 . . . . 98 ASP H . 15779 1 582 . 1 1 99 99 ASP C C 13 176.489 0.000 . 1 . . . . 98 ASP C . 15779 1 583 . 1 1 99 99 ASP CA C 13 55.903 0.021 . 1 . . . . 98 ASP CA . 15779 1 584 . 1 1 99 99 ASP CB C 13 43.072 0.007 . 1 . . . . 98 ASP CB . 15779 1 585 . 1 1 99 99 ASP N N 15 111.813 0.045 . 1 . . . . 98 ASP N . 15779 1 586 . 1 1 100 100 CYS H H 1 7.165 0.001 . 1 . . . . 99 CYS H . 15779 1 587 . 1 1 100 100 CYS C C 13 170.494 0.000 . 1 . . . . 99 CYS C . 15779 1 588 . 1 1 100 100 CYS CA C 13 57.344 0.034 . 1 . . . . 99 CYS CA . 15779 1 589 . 1 1 100 100 CYS CB C 13 41.352 0.024 . 1 . . . . 99 CYS CB . 15779 1 590 . 1 1 100 100 CYS N N 15 109.195 0.014 . 1 . . . . 99 CYS N . 15779 1 591 . 1 1 101 101 PHE H H 1 8.396 0.001 . 1 . . . . 100 PHE H . 15779 1 592 . 1 1 101 101 PHE C C 13 173.734 0.000 . 1 . . . . 100 PHE C . 15779 1 593 . 1 1 101 101 PHE CA C 13 56.346 0.083 . 1 . . . . 100 PHE CA . 15779 1 594 . 1 1 101 101 PHE CB C 13 42.726 0.031 . 1 . . . . 100 PHE CB . 15779 1 595 . 1 1 101 101 PHE N N 15 121.781 0.015 . 1 . . . . 100 PHE N . 15779 1 596 . 1 1 102 102 ILE H H 1 7.545 0.004 . 1 . . . . 101 ILE H . 15779 1 597 . 1 1 102 102 ILE C C 13 172.345 0.000 . 1 . . . . 101 ILE C . 15779 1 598 . 1 1 102 102 ILE CA C 13 60.940 0.065 . 1 . . . . 101 ILE CA . 15779 1 599 . 1 1 102 102 ILE CB C 13 43.589 0.048 . 1 . . . . 101 ILE CB . 15779 1 600 . 1 1 102 102 ILE CD1 C 13 14.476 0.000 . 1 . . . . 101 ILE CD1 . 15779 1 601 . 1 1 102 102 ILE CG1 C 13 29.797 0.000 . 1 . . . . 101 ILE CG1 . 15779 1 602 . 1 1 102 102 ILE CG2 C 13 16.911 0.000 . 1 . . . . 101 ILE CG2 . 15779 1 603 . 1 1 102 102 ILE N N 15 123.679 0.007 . 1 . . . . 101 ILE N . 15779 1 604 . 1 1 103 103 GLN H H 1 8.710 0.002 . 1 . . . . 102 GLN H . 15779 1 605 . 1 1 103 103 GLN HE21 H 1 7.861 0.002 . 2 . . . . 102 GLN HE21 . 15779 1 606 . 1 1 103 103 GLN HE22 H 1 6.420 0.004 . 2 . . . . 102 GLN HE22 . 15779 1 607 . 1 1 103 103 GLN C C 13 174.758 0.000 . 1 . . . . 102 GLN C . 15779 1 608 . 1 1 103 103 GLN CA C 13 53.208 0.002 . 1 . . . . 102 GLN CA . 15779 1 609 . 1 1 103 103 GLN CB C 13 32.166 0.000 . 1 . . . . 102 GLN CB . 15779 1 610 . 1 1 103 103 GLN CG C 13 32.524 0.000 . 1 . . . . 102 GLN CG . 15779 1 611 . 1 1 103 103 GLN N N 15 124.450 0.011 . 1 . . . . 102 GLN N . 15779 1 612 . 1 1 103 103 GLN NE2 N 15 110.322 0.012 . 1 . . . . 102 GLN NE2 . 15779 1 613 . 1 1 104 104 TYR H H 1 8.804 0.001 . 1 . . . . 103 TYR H . 15779 1 614 . 1 1 104 104 TYR C C 13 173.560 0.000 . 1 . . . . 103 TYR C . 15779 1 615 . 1 1 104 104 TYR CA C 13 55.867 0.023 . 1 . . . . 103 TYR CA . 15779 1 616 . 1 1 104 104 TYR CB C 13 43.577 0.019 . 1 . . . . 103 TYR CB . 15779 1 617 . 1 1 104 104 TYR N N 15 119.525 0.009 . 1 . . . . 103 TYR N . 15779 1 618 . 1 1 105 105 GLU H H 1 9.518 0.001 . 1 . . . . 104 GLU H . 15779 1 619 . 1 1 105 105 GLU C C 13 175.882 0.000 . 1 . . . . 104 GLU C . 15779 1 620 . 1 1 105 105 GLU CA C 13 54.773 0.014 . 1 . . . . 104 GLU CA . 15779 1 621 . 1 1 105 105 GLU CB C 13 35.912 0.000 . 1 . . . . 104 GLU CB . 15779 1 622 . 1 1 105 105 GLU CG C 13 36.078 0.000 . 1 . . . . 104 GLU CG . 15779 1 623 . 1 1 105 105 GLU N N 15 117.033 0.009 . 1 . . . . 104 GLU N . 15779 1 624 . 1 1 106 106 GLN H H 1 9.092 0.001 . 1 . . . . 105 GLN H . 15779 1 625 . 1 1 106 106 GLN C C 13 174.516 0.000 . 1 . . . . 105 GLN C . 15779 1 626 . 1 1 106 106 GLN CA C 13 55.268 0.062 . 1 . . . . 105 GLN CA . 15779 1 627 . 1 1 106 106 GLN CB C 13 28.722 0.052 . 1 . . . . 105 GLN CB . 15779 1 628 . 1 1 106 106 GLN CG C 13 34.188 0.000 . 1 . . . . 105 GLN CG . 15779 1 629 . 1 1 106 106 GLN N N 15 118.335 0.003 . 1 . . . . 105 GLN N . 15779 1 630 . 1 1 107 107 ARG H H 1 7.707 0.003 . 1 . . . . 106 ARG H . 15779 1 631 . 1 1 107 107 ARG C C 13 173.690 0.000 . 1 . . . . 106 ARG C . 15779 1 632 . 1 1 107 107 ARG CA C 13 54.662 0.025 . 1 . . . . 106 ARG CA . 15779 1 633 . 1 1 107 107 ARG CB C 13 32.759 0.010 . 1 . . . . 106 ARG CB . 15779 1 634 . 1 1 107 107 ARG CD C 13 43.338 0.000 . 1 . . . . 106 ARG CD . 15779 1 635 . 1 1 107 107 ARG N N 15 117.798 0.009 . 1 . . . . 106 ARG N . 15779 1 636 . 1 1 108 108 SER H H 1 7.938 0.002 . 1 . . . . 107 SER H . 15779 1 637 . 1 1 108 108 SER C C 13 174.587 0.000 . 1 . . . . 107 SER C . 15779 1 638 . 1 1 108 108 SER CA C 13 58.364 0.014 . 1 . . . . 107 SER CA . 15779 1 639 . 1 1 108 108 SER CB C 13 62.870 0.000 . 1 . . . . 107 SER CB . 15779 1 640 . 1 1 108 108 SER N N 15 115.215 0.025 . 1 . . . . 107 SER N . 15779 1 641 . 1 1 109 109 PHE H H 1 7.815 0.002 . 1 . . . . 108 PHE H . 15779 1 642 . 1 1 109 109 PHE C C 13 174.640 0.000 . 1 . . . . 108 PHE C . 15779 1 643 . 1 1 109 109 PHE CA C 13 56.745 0.056 . 1 . . . . 108 PHE CA . 15779 1 644 . 1 1 109 109 PHE CB C 13 39.206 0.022 . 1 . . . . 108 PHE CB . 15779 1 645 . 1 1 109 109 PHE N N 15 120.831 0.016 . 1 . . . . 108 PHE N . 15779 1 stop_ save_